USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=63 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: C1916 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C1920 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.892) USER MOD Set 2.1: A 64 SER OG : rot -51:sc= 1.23 USER MOD Set 2.2: C1911 ASN : amide:sc= -3.64! C(o=-2.4!,f=-2!) USER MOD Set 3.1: B 81 CYS SG : rot 28:sc= -13.2! USER MOD Set 3.2: B 85 MET CE :methyl -153:sc= 0 (180deg=-0.645) USER MOD Set 4.1: A 12 MET CE :methyl -158:sc= -0.0447 (180deg=-1.12) USER MOD Set 4.2: A 80 SER OG : rot 78:sc= -0.42 USER MOD Set 4.3: B 12 MET CE :methyl -118:sc= -1.95 (180deg=-6.7!) USER MOD Set 4.4: B 80 SER OG : rot -154:sc= -1.53! USER MOD Set 5.1: A 81 CYS SG : rot 38:sc= -5.51! USER MOD Set 5.2: A 84 MET CE :methyl 180:sc= -3.4! (180deg=-3.27!) USER MOD Set 5.3: C1910 MET CE :methyl -168:sc= -5.04! (180deg=-5.61!) USER MOD Set 6.1: A 57 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0) USER MOD Set 6.2: A 61 ASN : amide:sc= 0.355 K(o=1.6,f=-7.3!) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.0287 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.14) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 87:sc= 0.371 USER MOD Single : A 17 HIS : no HE2:sc= -0.642 X(o=-0.64,f=-0.93) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.995) USER MOD Single : A 19 TYR OH : rot 9:sc= 1.11 USER MOD Single : A 20 SER OG : rot -75:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.541) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.09) USER MOD Single : A 39 THR OG1 : rot 1:sc= -0.402 USER MOD Single : A 44 SER OG : rot 121:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0359 (180deg=-0.239) USER MOD Single : A 50 THR OG1 : rot 108:sc= -0.895 USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 59 MET CE :methyl 155:sc= -3.73! (180deg=-5.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 1 K(o=1,f=-0.2) USER MOD Single : A 68 ASN : amide:sc= -0.0302 K(o=-0.03,f=-1.2) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.172 F(o=-2.3!,f=-0.17) USER MOD Single : A 75 TYR OH : rot -96:sc= -1.39 USER MOD Single : A 76 CYS SG : rot -28:sc= -2.98! USER MOD Single : A 85 MET CE :methyl 172:sc= -7.22! (180deg=-8.8!) USER MOD Single : A 86 CYS SG : rot -27:sc= 0.133 USER MOD Single : A 87 ASN : amide:sc= -0.812 K(o=-0.81,f=-1.4) USER MOD Single : B 3 CYS SG : rot 180:sc= 0.0128 USER MOD Single : B 7 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.17) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 86:sc= 0.92 USER MOD Single : B 17 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.87) USER MOD Single : B 18 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.16) USER MOD Single : B 19 TYR OH : rot 9:sc= 1.01 USER MOD Single : B 20 SER OG : rot -68:sc= 1.06 USER MOD Single : B 28 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.08) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -8:sc= -0.136 USER MOD Single : B 44 SER OG : rot 83:sc= 1.22 USER MOD Single : B 48 LYS NZ :NH3+ -178:sc= 1.97 (180deg=1.91) USER MOD Single : B 50 THR OG1 : rot 39:sc= 0.0501 USER MOD Single : B 56 GLN :FLIP amide:sc= -0.0481 F(o=-1.5!,f=-0.048) USER MOD Single : B 57 LYS NZ :NH3+ -132:sc= -0.0417 (180deg=-0.415) USER MOD Single : B 59 MET CE :methyl 170:sc= -1.36 (180deg=-1.69) USER MOD Single : B 60 SER OG : rot -32:sc= 0.0924 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.517 F(o=-1.1,f=-0.52) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN :FLIP amide:sc= -0.0146 F(o=-0.59,f=-0.015) USER MOD Single : B 68 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.2) USER MOD Single : B 73 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.74) USER MOD Single : B 75 TYR OH : rot -15:sc=-0.00476 USER MOD Single : B 76 CYS SG : rot 68:sc= 0.556 USER MOD Single : B 84 MET CE :methyl 157:sc= -6.39! (180deg=-10!) USER MOD Single : B 86 CYS SG : rot 170:sc= -3.29! USER MOD Single : B 87 ASN : amide:sc=-0.00653 X(o=-0.0065,f=-0.22) USER MOD Single : C1904 THR OG1 : rot -110:sc= -0.866 USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : C1915 SER OG : rot 180:sc= 0 USER MOD Single : C1918 LYS NZ :NH3+ 176:sc= 0.896 (180deg=0.826) USER MOD Single : C1919 ASN : amide:sc=-0.00956 K(o=-0.0096,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.921 -8.459 1.903 1.00 0.40 N ATOM 45 CA GLU C1899 -13.582 -8.863 2.262 1.00 0.29 C ATOM 46 C GLU C1899 -12.963 -7.829 3.176 1.00 0.24 C ATOM 47 O GLU C1899 -12.074 -8.127 3.972 1.00 0.27 O ATOM 48 CB GLU C1899 -12.767 -8.933 0.984 1.00 0.30 C ATOM 49 CG GLU C1899 -13.286 -7.956 -0.060 1.00 0.35 C ATOM 50 CD GLU C1899 -14.246 -8.624 -1.025 1.00 0.62 C ATOM 51 OE1 GLU C1899 -13.788 -9.230 -2.015 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.471 -8.576 -0.765 1.00 0.97 O ATOM 0 HA GLU C1899 -13.602 -9.826 2.773 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.723 -8.712 1.204 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -12.801 -9.947 0.584 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.788 -7.126 0.436 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.447 -7.536 -0.614 1.00 0.35 H new ATOM 59 N LEU C1900 -13.469 -6.604 3.062 1.00 0.24 N ATOM 60 CA LEU C1900 -12.902 -5.461 3.746 1.00 0.25 C ATOM 61 C LEU C1900 -12.991 -5.596 5.276 1.00 0.28 C ATOM 62 O LEU C1900 -12.464 -4.756 6.004 1.00 0.44 O ATOM 63 CB LEU C1900 -13.560 -4.148 3.290 1.00 0.33 C ATOM 64 CG LEU C1900 -13.290 -3.683 1.851 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.817 -3.750 1.519 1.00 0.22 C ATOM 66 CD2 LEU C1900 -14.117 -4.426 0.835 1.00 0.31 C ATOM 0 H LEU C1900 -14.284 -6.383 2.491 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.847 -5.433 3.475 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.638 -4.251 3.414 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.236 -3.357 3.966 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.600 -2.639 1.798 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.659 -3.415 0.494 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.261 -3.107 2.201 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.467 -4.777 1.622 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.885 -4.056 -0.164 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.890 -5.491 0.890 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -15.176 -4.270 1.043 1.00 0.31 H new ATOM 78 N GLU C1901 -13.638 -6.654 5.765 1.00 0.27 N ATOM 79 CA GLU C1901 -13.673 -6.917 7.201 1.00 0.34 C ATOM 80 C GLU C1901 -12.330 -7.485 7.658 1.00 0.37 C ATOM 81 O GLU C1901 -11.782 -7.071 8.672 1.00 0.52 O ATOM 82 CB GLU C1901 -14.809 -7.881 7.572 1.00 0.48 C ATOM 83 CG GLU C1901 -14.690 -9.262 6.943 1.00 1.00 C ATOM 84 CD GLU C1901 -15.689 -10.250 7.509 1.00 1.11 C ATOM 85 OE1 GLU C1901 -15.712 -10.432 8.742 1.00 1.48 O ATOM 86 OE2 GLU C1901 -16.457 -10.846 6.723 1.00 1.44 O ATOM 0 H GLU C1901 -14.139 -7.335 5.194 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.861 -5.972 7.711 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -14.838 -7.990 8.656 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -15.758 -7.438 7.271 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.836 -9.180 5.866 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -13.681 -9.642 7.099 1.00 1.00 H new ATOM 93 N ASP C1902 -11.807 -8.425 6.883 1.00 0.37 N ATOM 94 CA ASP C1902 -10.508 -9.031 7.155 1.00 0.46 C ATOM 95 C ASP C1902 -9.425 -8.233 6.442 1.00 0.44 C ATOM 96 O ASP C1902 -8.228 -8.410 6.671 1.00 0.58 O ATOM 97 CB ASP C1902 -10.512 -10.489 6.678 1.00 0.60 C ATOM 98 CG ASP C1902 -9.212 -11.215 6.959 1.00 1.18 C ATOM 99 OD1 ASP C1902 -8.925 -11.501 8.137 1.00 1.42 O ATOM 100 OD2 ASP C1902 -8.472 -11.516 5.997 1.00 2.01 O ATOM 0 H ASP C1902 -12.269 -8.789 6.050 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.307 -9.019 8.226 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -11.330 -11.021 7.164 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -10.709 -10.513 5.606 1.00 0.60 H new ATOM 105 N ALA C1903 -9.881 -7.335 5.583 1.00 0.36 N ATOM 106 CA ALA C1903 -9.008 -6.504 4.773 1.00 0.46 C ATOM 107 C ALA C1903 -8.392 -5.379 5.569 1.00 0.37 C ATOM 108 O ALA C1903 -7.206 -5.383 5.891 1.00 0.37 O ATOM 109 CB ALA C1903 -9.805 -5.877 3.645 1.00 0.66 C ATOM 0 H ALA C1903 -10.874 -7.162 5.428 1.00 0.36 H new ATOM 0 HA ALA C1903 -8.216 -7.151 4.396 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -9.148 -5.254 3.038 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -10.236 -6.662 3.024 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.604 -5.264 4.061 1.00 0.66 H new ATOM 115 N THR C1904 -9.234 -4.426 5.900 1.00 0.37 N ATOM 116 CA THR C1904 -8.781 -3.164 6.410 1.00 0.36 C ATOM 117 C THR C1904 -8.851 -3.126 7.925 1.00 0.34 C ATOM 118 O THR C1904 -8.569 -2.110 8.550 1.00 0.36 O ATOM 119 CB THR C1904 -9.591 -2.031 5.764 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.993 -2.231 5.987 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.320 -2.004 4.266 1.00 0.40 C ATOM 0 H THR C1904 -10.248 -4.509 5.821 1.00 0.37 H new ATOM 0 HA THR C1904 -7.732 -3.026 6.148 1.00 0.36 H new ATOM 0 HB THR C1904 -9.291 -1.084 6.213 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.428 -2.467 5.141 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.895 -1.200 3.807 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.257 -1.836 4.091 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.614 -2.957 3.826 1.00 0.40 H new ATOM 129 N GLU C1905 -9.224 -4.250 8.513 1.00 0.32 N ATOM 130 CA GLU C1905 -9.077 -4.435 9.944 1.00 0.32 C ATOM 131 C GLU C1905 -7.609 -4.283 10.280 1.00 0.28 C ATOM 132 O GLU C1905 -7.217 -3.566 11.201 1.00 0.32 O ATOM 133 CB GLU C1905 -9.517 -5.832 10.336 1.00 0.36 C ATOM 134 CG GLU C1905 -9.412 -6.119 11.824 1.00 0.62 C ATOM 135 CD GLU C1905 -10.339 -5.259 12.660 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.568 -5.467 12.597 1.00 1.76 O ATOM 137 OE2 GLU C1905 -9.848 -4.368 13.384 1.00 2.06 O ATOM 0 H GLU C1905 -9.630 -5.046 8.021 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.686 -3.705 10.477 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.550 -5.978 10.020 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.912 -6.558 9.793 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.640 -7.170 12.003 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.384 -5.957 12.148 1.00 0.62 H new ATOM 144 N THR C1906 -6.808 -4.970 9.482 1.00 0.25 N ATOM 145 CA THR C1906 -5.378 -4.947 9.616 1.00 0.24 C ATOM 146 C THR C1906 -4.817 -3.626 9.097 1.00 0.21 C ATOM 147 O THR C1906 -3.660 -3.292 9.365 1.00 0.19 O ATOM 148 CB THR C1906 -4.763 -6.127 8.847 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.787 -7.096 8.573 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.666 -6.781 9.668 1.00 0.47 C ATOM 0 H THR C1906 -7.143 -5.560 8.721 1.00 0.25 H new ATOM 0 HA THR C1906 -5.121 -5.039 10.671 1.00 0.24 H new ATOM 0 HB THR C1906 -4.335 -5.757 7.915 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.400 -7.850 8.081 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.241 -7.615 9.109 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.885 -6.050 9.880 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.083 -7.148 10.606 1.00 0.47 H new ATOM 158 N ALA C1907 -5.639 -2.879 8.350 1.00 0.23 N ATOM 159 CA ALA C1907 -5.253 -1.536 7.926 1.00 0.21 C ATOM 160 C ALA C1907 -4.880 -0.686 9.130 1.00 0.21 C ATOM 161 O ALA C1907 -3.848 -0.021 9.130 1.00 0.21 O ATOM 162 CB ALA C1907 -6.354 -0.855 7.122 1.00 0.22 C ATOM 0 H ALA C1907 -6.561 -3.179 8.033 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.384 -1.637 7.276 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -6.026 0.141 6.827 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.572 -1.444 6.231 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.253 -0.774 7.732 1.00 0.22 H new ATOM 168 N ASP C1908 -5.726 -0.730 10.154 1.00 0.24 N ATOM 169 CA ASP C1908 -5.468 -0.031 11.416 1.00 0.26 C ATOM 170 C ASP C1908 -4.081 -0.362 11.975 1.00 0.27 C ATOM 171 O ASP C1908 -3.386 0.518 12.486 1.00 0.34 O ATOM 172 CB ASP C1908 -6.544 -0.403 12.443 1.00 0.33 C ATOM 173 CG ASP C1908 -6.313 0.228 13.804 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.782 1.361 14.030 1.00 0.58 O ATOM 175 OD2 ASP C1908 -5.640 -0.396 14.647 1.00 0.68 O ATOM 0 H ASP C1908 -6.605 -1.247 10.137 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.500 1.040 11.217 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.519 -0.094 12.067 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.574 -1.487 12.552 1.00 0.33 H new ATOM 180 N ALA C1909 -3.677 -1.627 11.861 1.00 0.23 N ATOM 181 CA ALA C1909 -2.369 -2.063 12.354 1.00 0.24 C ATOM 182 C ALA C1909 -1.239 -1.414 11.554 1.00 0.22 C ATOM 183 O ALA C1909 -0.441 -0.648 12.102 1.00 0.24 O ATOM 184 CB ALA C1909 -2.259 -3.581 12.301 1.00 0.27 C ATOM 0 H ALA C1909 -4.234 -2.367 11.433 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.274 -1.744 13.392 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.281 -3.888 12.671 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.037 -4.024 12.922 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.380 -3.919 11.272 1.00 0.27 H new ATOM 190 N MET C1910 -1.173 -1.734 10.259 1.00 0.19 N ATOM 191 CA MET C1910 -0.227 -1.099 9.338 1.00 0.19 C ATOM 192 C MET C1910 -0.213 0.421 9.463 1.00 0.19 C ATOM 193 O MET C1910 0.822 1.036 9.325 1.00 0.22 O ATOM 194 CB MET C1910 -0.576 -1.495 7.900 1.00 0.18 C ATOM 195 CG MET C1910 0.083 -0.647 6.811 1.00 0.20 C ATOM 196 SD MET C1910 -0.303 -1.282 5.176 1.00 0.20 S ATOM 197 CE MET C1910 0.174 -3.000 5.362 1.00 0.14 C ATOM 0 H MET C1910 -1.770 -2.436 9.822 1.00 0.19 H new ATOM 0 HA MET C1910 0.771 -1.451 9.601 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.292 -2.536 7.748 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.658 -1.438 7.777 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.257 0.385 6.893 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.163 -0.639 6.956 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.198 -3.479 4.383 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.163 -3.056 5.817 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.548 -3.511 5.999 1.00 0.14 H new ATOM 207 N ASN C1911 -1.351 1.017 9.749 1.00 0.21 N ATOM 208 CA ASN C1911 -1.490 2.474 9.721 1.00 0.22 C ATOM 209 C ASN C1911 -0.635 3.168 10.776 1.00 0.23 C ATOM 210 O ASN C1911 -0.206 4.305 10.589 1.00 0.27 O ATOM 211 CB ASN C1911 -2.949 2.832 9.928 1.00 0.24 C ATOM 212 CG ASN C1911 -3.286 4.266 9.611 1.00 0.25 C ATOM 213 OD1 ASN C1911 -4.090 4.880 10.298 1.00 0.42 O ATOM 214 ND2 ASN C1911 -2.704 4.810 8.563 1.00 0.25 N ATOM 0 H ASN C1911 -2.203 0.519 10.006 1.00 0.21 H new ATOM 0 HA ASN C1911 -1.139 2.823 8.750 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.563 2.181 9.306 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.218 2.628 10.965 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.919 5.772 8.302 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.038 4.269 8.012 1.00 0.25 H new ATOM 221 N ARG C1912 -0.391 2.498 11.883 1.00 0.23 N ATOM 222 CA ARG C1912 0.424 3.055 12.929 1.00 0.26 C ATOM 223 C ARG C1912 1.882 2.999 12.522 1.00 0.28 C ATOM 224 O ARG C1912 2.562 4.022 12.412 1.00 0.38 O ATOM 225 CB ARG C1912 0.197 2.254 14.202 1.00 0.30 C ATOM 226 CG ARG C1912 -1.272 2.030 14.519 1.00 0.75 C ATOM 227 CD ARG C1912 -2.060 3.328 14.470 1.00 1.46 C ATOM 228 NE ARG C1912 -3.499 3.089 14.541 1.00 2.17 N ATOM 229 CZ ARG C1912 -4.418 4.052 14.529 1.00 2.91 C ATOM 230 NH1 ARG C1912 -4.048 5.329 14.484 1.00 3.13 N ATOM 231 NH2 ARG C1912 -5.707 3.738 14.560 1.00 3.76 N ATOM 0 H ARG C1912 -0.750 1.563 12.077 1.00 0.23 H new ATOM 0 HA ARG C1912 0.154 4.097 13.103 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.692 1.288 14.108 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.667 2.773 15.038 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.694 1.321 13.807 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.367 1.583 15.509 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -1.756 3.970 15.297 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -1.825 3.862 13.549 1.00 1.46 H new ATOM 0 HE ARG C1912 -3.820 2.123 14.604 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -3.058 5.572 14.459 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.754 6.065 14.475 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -5.993 2.759 14.593 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -6.412 4.475 14.551 1.00 3.76 H new ATOM 245 N GLU C1913 2.331 1.790 12.262 1.00 0.23 N ATOM 246 CA GLU C1913 3.693 1.541 11.828 1.00 0.25 C ATOM 247 C GLU C1913 3.988 2.203 10.491 1.00 0.22 C ATOM 248 O GLU C1913 5.112 2.572 10.239 1.00 0.27 O ATOM 249 CB GLU C1913 3.920 0.044 11.711 1.00 0.29 C ATOM 250 CG GLU C1913 2.905 -0.626 10.810 1.00 0.29 C ATOM 251 CD GLU C1913 2.964 -2.132 10.893 1.00 0.39 C ATOM 252 OE1 GLU C1913 2.839 -2.667 12.017 1.00 0.79 O ATOM 253 OE2 GLU C1913 3.108 -2.788 9.847 1.00 0.57 O ATOM 0 H GLU C1913 1.762 0.948 12.345 1.00 0.23 H new ATOM 0 HA GLU C1913 4.366 1.969 12.571 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.922 -0.139 11.324 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.874 -0.406 12.703 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.905 -0.289 11.082 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.077 -0.315 9.780 1.00 0.29 H new ATOM 260 N VAL C1914 2.978 2.355 9.643 1.00 0.19 N ATOM 261 CA VAL C1914 3.174 2.874 8.290 1.00 0.20 C ATOM 262 C VAL C1914 3.780 4.255 8.324 1.00 0.18 C ATOM 263 O VAL C1914 4.651 4.574 7.528 1.00 0.20 O ATOM 264 CB VAL C1914 1.848 2.914 7.481 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.990 4.110 7.847 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.114 2.915 5.995 1.00 0.29 C ATOM 0 H VAL C1914 2.010 2.126 9.868 1.00 0.19 H new ATOM 0 HA VAL C1914 3.859 2.189 7.791 1.00 0.20 H new ATOM 0 HB VAL C1914 1.299 2.010 7.744 1.00 0.24 H new ATOM 0 HG11 VAL C1914 0.074 4.095 7.256 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.739 4.067 8.907 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.540 5.029 7.642 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.167 2.943 5.456 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.708 3.791 5.732 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.660 2.012 5.722 1.00 0.29 H new ATOM 276 N SER C1915 3.337 5.059 9.264 1.00 0.21 N ATOM 277 CA SER C1915 3.780 6.423 9.332 1.00 0.28 C ATOM 278 C SER C1915 5.160 6.479 9.975 1.00 0.28 C ATOM 279 O SER C1915 6.010 7.281 9.591 1.00 0.36 O ATOM 280 CB SER C1915 2.752 7.250 10.090 1.00 0.36 C ATOM 281 OG SER C1915 3.127 8.616 10.174 1.00 1.31 O ATOM 0 H SER C1915 2.672 4.788 9.988 1.00 0.21 H new ATOM 0 HA SER C1915 3.870 6.847 8.332 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.785 7.169 9.594 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.630 6.845 11.095 1.00 0.36 H new ATOM 0 HG SER C1915 2.441 9.114 10.666 1.00 1.31 H new ATOM 287 N SER C1916 5.387 5.584 10.930 1.00 0.25 N ATOM 288 CA SER C1916 6.689 5.461 11.566 1.00 0.27 C ATOM 289 C SER C1916 7.689 4.804 10.608 1.00 0.27 C ATOM 290 O SER C1916 8.868 5.157 10.584 1.00 0.29 O ATOM 291 CB SER C1916 6.566 4.651 12.858 1.00 0.31 C ATOM 292 OG SER C1916 7.792 4.624 13.570 1.00 1.04 O ATOM 0 H SER C1916 4.684 4.933 11.280 1.00 0.25 H new ATOM 0 HA SER C1916 7.057 6.456 11.814 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.787 5.083 13.487 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.258 3.632 12.623 1.00 0.31 H new ATOM 0 HG SER C1916 7.682 4.101 14.391 1.00 1.04 H new ATOM 298 N LEU C1917 7.207 3.844 9.822 1.00 0.30 N ATOM 299 CA LEU C1917 8.016 3.171 8.822 1.00 0.30 C ATOM 300 C LEU C1917 8.317 4.135 7.691 1.00 0.26 C ATOM 301 O LEU C1917 9.464 4.265 7.265 1.00 0.26 O ATOM 302 CB LEU C1917 7.308 1.908 8.290 1.00 0.42 C ATOM 303 CG LEU C1917 8.156 0.981 7.398 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.393 -0.275 7.035 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.582 1.681 6.131 1.00 1.16 C ATOM 0 H LEU C1917 6.243 3.514 9.865 1.00 0.30 H new ATOM 0 HA LEU C1917 8.951 2.850 9.282 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.950 1.331 9.142 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.430 2.219 7.724 1.00 0.42 H new ATOM 0 HG LEU C1917 9.042 0.710 7.972 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.016 -0.910 6.405 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.127 -0.815 7.944 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.486 -0.006 6.494 1.00 1.25 H new ATOM 0 HD21 LEU C1917 9.179 1.001 5.523 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.699 1.989 5.571 1.00 1.16 H new ATOM 0 HD23 LEU C1917 9.176 2.559 6.383 1.00 1.16 H new ATOM 317 N LYS C1918 7.289 4.794 7.185 1.00 0.28 N ATOM 318 CA LYS C1918 7.483 5.824 6.182 1.00 0.29 C ATOM 319 C LYS C1918 8.493 6.866 6.690 1.00 0.32 C ATOM 320 O LYS C1918 9.191 7.502 5.910 1.00 0.38 O ATOM 321 CB LYS C1918 6.133 6.440 5.786 1.00 0.39 C ATOM 322 CG LYS C1918 6.162 7.919 5.483 1.00 0.29 C ATOM 323 CD LYS C1918 5.325 8.668 6.497 1.00 0.40 C ATOM 324 CE LYS C1918 6.001 9.947 6.919 1.00 0.69 C ATOM 325 NZ LYS C1918 6.227 10.891 5.786 1.00 1.36 N ATOM 0 H LYS C1918 6.317 4.635 7.451 1.00 0.28 H new ATOM 0 HA LYS C1918 7.905 5.387 5.277 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.756 5.914 4.909 1.00 0.39 H new ATOM 0 HB3 LYS C1918 5.422 6.265 6.593 1.00 0.39 H new ATOM 0 HG2 LYS C1918 7.189 8.284 5.505 1.00 0.29 H new ATOM 0 HG3 LYS C1918 5.781 8.101 4.478 1.00 0.29 H new ATOM 0 HD2 LYS C1918 4.347 8.893 6.071 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.155 8.038 7.370 1.00 0.40 H new ATOM 0 HE2 LYS C1918 5.393 10.439 7.678 1.00 0.69 H new ATOM 0 HE3 LYS C1918 6.958 9.709 7.382 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 6.632 11.778 6.148 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 6.885 10.463 5.104 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 5.322 11.091 5.315 1.00 1.36 H new ATOM 339 N ASN C1919 8.592 6.980 8.016 1.00 0.31 N ATOM 340 CA ASN C1919 9.565 7.855 8.671 1.00 0.33 C ATOM 341 C ASN C1919 10.947 7.180 8.788 1.00 0.32 C ATOM 342 O ASN C1919 11.960 7.860 8.953 1.00 0.41 O ATOM 343 CB ASN C1919 9.042 8.249 10.059 1.00 0.37 C ATOM 344 CG ASN C1919 9.963 9.187 10.816 1.00 0.43 C ATOM 345 OD1 ASN C1919 10.678 9.998 10.228 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.939 9.087 12.134 1.00 1.15 N ATOM 0 H ASN C1919 7.998 6.467 8.667 1.00 0.31 H new ATOM 0 HA ASN C1919 9.691 8.749 8.060 1.00 0.33 H new ATOM 0 HB2 ASN C1919 8.067 8.723 9.949 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.892 7.346 10.651 1.00 0.37 H new ATOM 0 HD21 ASN C1919 10.528 9.696 12.702 1.00 1.15 H new ATOM 0 HD22 ASN C1919 9.332 8.401 12.582 1.00 1.15 H new ATOM 353 N LYS C1920 10.995 5.848 8.676 1.00 0.28 N ATOM 354 CA LYS C1920 12.261 5.121 8.708 1.00 0.37 C ATOM 355 C LYS C1920 12.961 5.404 7.409 1.00 0.41 C ATOM 356 O LYS C1920 14.122 5.790 7.357 1.00 0.53 O ATOM 357 CB LYS C1920 12.066 3.595 8.774 1.00 0.48 C ATOM 358 CG LYS C1920 11.022 3.085 9.750 1.00 0.33 C ATOM 359 CD LYS C1920 11.647 2.581 11.041 1.00 0.44 C ATOM 360 CE LYS C1920 11.875 3.705 12.038 1.00 1.36 C ATOM 361 NZ LYS C1920 10.594 4.232 12.578 1.00 1.64 N ATOM 0 H LYS C1920 10.172 5.256 8.563 1.00 0.28 H new ATOM 0 HA LYS C1920 12.814 5.440 9.592 1.00 0.37 H new ATOM 0 HB2 LYS C1920 11.802 3.242 7.777 1.00 0.48 H new ATOM 0 HB3 LYS C1920 13.023 3.140 9.030 1.00 0.48 H new ATOM 0 HG2 LYS C1920 10.317 3.884 9.977 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.453 2.280 9.284 1.00 0.33 H new ATOM 0 HD2 LYS C1920 10.999 1.826 11.487 1.00 0.44 H new ATOM 0 HD3 LYS C1920 12.597 2.095 10.819 1.00 0.44 H new ATOM 0 HE2 LYS C1920 12.494 3.343 12.859 1.00 1.36 H new ATOM 0 HE3 LYS C1920 12.426 4.513 11.556 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 10.789 4.860 13.383 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.097 4.765 11.836 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 9.998 3.440 12.893 1.00 1.64 H new ATOM 375 N LEU C1921 12.194 5.217 6.352 1.00 0.38 N ATOM 376 CA LEU C1921 12.676 5.372 5.004 1.00 0.46 C ATOM 377 C LEU C1921 12.886 6.851 4.693 1.00 0.59 C ATOM 378 O LEU C1921 13.549 7.219 3.726 1.00 0.92 O ATOM 379 CB LEU C1921 11.679 4.701 4.050 1.00 0.44 C ATOM 380 CG LEU C1921 11.296 3.265 4.456 1.00 0.38 C ATOM 381 CD1 LEU C1921 10.395 2.611 3.429 1.00 0.40 C ATOM 382 CD2 LEU C1921 12.530 2.413 4.670 1.00 0.48 C ATOM 0 H LEU C1921 11.211 4.951 6.411 1.00 0.38 H new ATOM 0 HA LEU C1921 13.644 4.887 4.878 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.775 5.307 4.000 1.00 0.44 H new ATOM 0 HB3 LEU C1921 12.106 4.683 3.047 1.00 0.44 H new ATOM 0 HG LEU C1921 10.747 3.338 5.395 1.00 0.38 H new ATOM 0 HD11 LEU C1921 10.148 1.600 3.753 1.00 0.40 H new ATOM 0 HD12 LEU C1921 9.479 3.193 3.326 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.909 2.569 2.468 1.00 0.40 H new ATOM 0 HD21 LEU C1921 12.231 1.405 4.956 1.00 0.48 H new ATOM 0 HD22 LEU C1921 13.108 2.372 3.747 1.00 0.48 H new ATOM 0 HD23 LEU C1921 13.140 2.848 5.461 1.00 0.48 H new ATOM 394 N ARG C1922 12.322 7.687 5.549 1.00 0.49 N ATOM 395 CA ARG C1922 12.540 9.125 5.507 1.00 0.66 C ATOM 396 C ARG C1922 13.726 9.561 6.369 1.00 0.65 C ATOM 397 O ARG C1922 13.988 10.755 6.483 1.00 0.78 O ATOM 398 CB ARG C1922 11.292 9.859 5.980 1.00 0.87 C ATOM 399 CG ARG C1922 10.257 10.065 4.898 1.00 1.15 C ATOM 400 CD ARG C1922 10.821 10.823 3.711 1.00 1.07 C ATOM 401 NE ARG C1922 9.776 11.591 3.049 1.00 1.64 N ATOM 402 CZ ARG C1922 9.766 11.909 1.762 1.00 2.45 C ATOM 403 NH1 ARG C1922 10.819 11.652 0.990 1.00 2.92 N ATOM 404 NH2 ARG C1922 8.700 12.501 1.253 1.00 3.23 N ATOM 0 H ARG C1922 11.697 7.386 6.297 1.00 0.49 H new ATOM 0 HA ARG C1922 12.762 9.379 4.471 1.00 0.66 H new ATOM 0 HB2 ARG C1922 10.841 9.299 6.799 1.00 0.87 H new ATOM 0 HB3 ARG C1922 11.583 10.830 6.381 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.882 9.097 4.565 1.00 1.15 H new ATOM 0 HG3 ARG C1922 9.408 10.612 5.308 1.00 1.15 H new ATOM 0 HD2 ARG C1922 11.615 11.491 4.044 1.00 1.07 H new ATOM 0 HD3 ARG C1922 11.268 10.123 3.005 1.00 1.07 H new ATOM 0 HE ARG C1922 8.992 11.909 3.619 1.00 1.64 H new ATOM 0 HH11 ARG C1922 11.646 11.206 1.387 1.00 2.92 H new ATOM 0 HH12 ARG C1922 10.799 11.901 0.001 1.00 2.92 H new ATOM 0 HH21 ARG C1922 7.898 12.708 1.849 1.00 3.23 H new ATOM 0 HH22 ARG C1922 8.679 12.751 0.264 1.00 3.23 H new ATOM 461 N LEU C1926 18.579 6.265 3.975 1.00 0.64 N ATOM 462 CA LEU C1926 17.907 5.362 3.057 1.00 0.60 C ATOM 463 C LEU C1926 18.373 5.579 1.614 1.00 0.54 C ATOM 464 O LEU C1926 18.586 6.716 1.188 1.00 0.72 O ATOM 465 CB LEU C1926 16.406 5.617 3.135 1.00 0.93 C ATOM 466 CG LEU C1926 15.538 4.490 3.685 1.00 0.48 C ATOM 467 CD1 LEU C1926 14.519 4.098 2.634 1.00 0.56 C ATOM 468 CD2 LEU C1926 16.357 3.273 4.085 1.00 0.57 C ATOM 0 HA LEU C1926 18.147 4.338 3.342 1.00 0.60 H new ATOM 0 HB2 LEU C1926 16.245 6.501 3.752 1.00 0.93 H new ATOM 0 HB3 LEU C1926 16.051 5.859 2.133 1.00 0.93 H new ATOM 0 HG LEU C1926 15.043 4.854 4.585 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.893 3.292 3.017 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.896 4.959 2.393 1.00 0.56 H new ATOM 0 HD13 LEU C1926 15.035 3.760 1.735 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.694 2.499 4.470 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.892 2.893 3.215 1.00 0.57 H new ATOM 0 HD23 LEU C1926 17.073 3.554 4.857 1.00 0.57 H new ATOM 480 N PRO C1927 18.524 4.490 0.843 1.00 0.46 N ATOM 481 CA PRO C1927 18.897 4.559 -0.569 1.00 0.55 C ATOM 482 C PRO C1927 17.689 4.650 -1.489 1.00 0.63 C ATOM 483 O PRO C1927 17.825 4.616 -2.711 1.00 1.12 O ATOM 484 CB PRO C1927 19.595 3.228 -0.787 1.00 0.54 C ATOM 485 CG PRO C1927 18.896 2.277 0.131 1.00 0.44 C ATOM 486 CD PRO C1927 18.378 3.093 1.293 1.00 0.41 C ATOM 0 HA PRO C1927 19.499 5.440 -0.791 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.517 2.905 -1.825 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.657 3.295 -0.553 1.00 0.54 H new ATOM 0 HG2 PRO C1927 18.077 1.774 -0.384 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.579 1.501 0.477 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.339 2.853 1.517 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.952 2.904 2.200 1.00 0.41 H new ATOM 494 N PHE C1928 16.511 4.746 -0.897 1.00 0.30 N ATOM 495 CA PHE C1928 15.280 4.717 -1.661 1.00 0.27 C ATOM 496 C PHE C1928 14.255 5.640 -1.025 1.00 0.27 C ATOM 497 O PHE C1928 14.085 5.633 0.189 1.00 0.31 O ATOM 498 CB PHE C1928 14.788 3.261 -1.764 1.00 0.24 C ATOM 499 CG PHE C1928 13.484 2.940 -1.113 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.359 3.620 -1.496 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.384 1.996 -0.114 1.00 0.26 C ATOM 502 CE1 PHE C1928 11.146 3.362 -0.901 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.184 1.732 0.481 1.00 0.29 C ATOM 504 CZ PHE C1928 11.097 2.282 0.086 1.00 0.27 C ATOM 0 H PHE C1928 16.383 4.845 0.110 1.00 0.30 H new ATOM 0 HA PHE C1928 15.447 5.083 -2.674 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.712 3.003 -2.820 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.551 2.614 -1.332 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.425 4.367 -2.273 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.266 1.458 0.202 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.265 3.934 -1.152 1.00 0.33 H new ATOM 0 HE2 PHE C1928 12.150 1.039 1.309 1.00 0.29 H new ATOM 0 HZ PHE C1928 10.148 1.950 0.480 1.00 0.27 H new ATOM 514 N VAL C1929 13.572 6.417 -1.859 1.00 0.25 N ATOM 515 CA VAL C1929 12.619 7.426 -1.403 1.00 0.25 C ATOM 516 C VAL C1929 11.776 7.920 -2.553 1.00 0.25 C ATOM 517 O VAL C1929 12.153 7.784 -3.714 1.00 0.27 O ATOM 518 CB VAL C1929 13.329 8.657 -0.835 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.801 8.422 0.577 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.481 8.993 -1.746 1.00 0.62 C ATOM 0 H VAL C1929 13.663 6.366 -2.874 1.00 0.25 H new ATOM 0 HA VAL C1929 12.011 6.945 -0.637 1.00 0.25 H new ATOM 0 HB VAL C1929 12.632 9.494 -0.791 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.300 9.317 0.947 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.946 8.194 1.213 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.499 7.585 0.593 1.00 0.62 H new ATOM 0 HG21 VAL C1929 15.005 9.869 -1.363 1.00 0.62 H new ATOM 0 HG22 VAL C1929 15.169 8.149 -1.789 1.00 0.62 H new ATOM 0 HG23 VAL C1929 14.104 9.205 -2.746 1.00 0.62 H new ATOM 530 N VAL C1930 10.655 8.533 -2.236 1.00 0.26 N ATOM 531 CA VAL C1930 9.848 9.148 -3.259 1.00 0.26 C ATOM 532 C VAL C1930 10.398 10.528 -3.612 1.00 0.29 C ATOM 533 O VAL C1930 10.596 11.382 -2.740 1.00 0.32 O ATOM 534 CB VAL C1930 8.371 9.273 -2.849 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.566 9.958 -3.944 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.794 7.906 -2.548 1.00 0.32 C ATOM 0 H VAL C1930 10.288 8.617 -1.288 1.00 0.26 H new ATOM 0 HA VAL C1930 9.895 8.495 -4.131 1.00 0.26 H new ATOM 0 HB VAL C1930 8.313 9.884 -1.948 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.524 10.037 -3.634 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.968 10.955 -4.121 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.629 9.373 -4.862 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.748 8.008 -2.259 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.865 7.277 -3.436 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.353 7.447 -1.732 1.00 0.32 H new ATOM 546 N PRO C1931 10.698 10.722 -4.897 1.00 0.34 N ATOM 547 CA PRO C1931 11.107 12.010 -5.467 1.00 0.42 C ATOM 548 C PRO C1931 9.977 13.037 -5.430 1.00 0.45 C ATOM 549 O PRO C1931 8.876 12.741 -4.965 1.00 0.45 O ATOM 550 CB PRO C1931 11.476 11.669 -6.909 1.00 0.56 C ATOM 551 CG PRO C1931 10.717 10.427 -7.205 1.00 0.48 C ATOM 552 CD PRO C1931 10.661 9.665 -5.918 1.00 0.36 C ATOM 0 HA PRO C1931 11.926 12.462 -4.907 1.00 0.42 H new ATOM 0 HB2 PRO C1931 11.200 12.474 -7.590 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.549 11.513 -7.018 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.715 10.658 -7.566 1.00 0.48 H new ATOM 0 HG3 PRO C1931 11.210 9.844 -7.983 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.753 9.066 -5.844 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.503 8.980 -5.819 1.00 0.36 H new ATOM 560 N ARG C1932 10.266 14.255 -5.878 1.00 0.54 N ATOM 561 CA ARG C1932 9.280 15.346 -5.899 1.00 0.70 C ATOM 562 C ARG C1932 8.143 15.093 -6.902 1.00 0.89 C ATOM 563 O ARG C1932 7.545 16.032 -7.432 1.00 1.79 O ATOM 564 CB ARG C1932 9.992 16.665 -6.216 1.00 0.83 C ATOM 565 CG ARG C1932 11.087 17.004 -5.215 1.00 1.53 C ATOM 566 CD ARG C1932 11.908 18.208 -5.646 1.00 2.00 C ATOM 567 NE ARG C1932 12.980 18.495 -4.693 1.00 2.79 N ATOM 568 CZ ARG C1932 14.180 18.962 -5.031 1.00 3.62 C ATOM 569 NH1 ARG C1932 14.463 19.223 -6.301 1.00 3.88 N ATOM 570 NH2 ARG C1932 15.090 19.173 -4.088 1.00 4.56 N ATOM 0 H ARG C1932 11.184 14.519 -6.236 1.00 0.54 H new ATOM 0 HA ARG C1932 8.819 15.399 -4.913 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.425 16.607 -7.215 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.260 17.472 -6.233 1.00 0.83 H new ATOM 0 HG2 ARG C1932 10.638 17.202 -4.242 1.00 1.53 H new ATOM 0 HG3 ARG C1932 11.744 16.143 -5.093 1.00 1.53 H new ATOM 0 HD2 ARG C1932 12.336 18.024 -6.632 1.00 2.00 H new ATOM 0 HD3 ARG C1932 11.259 19.079 -5.738 1.00 2.00 H new ATOM 0 HE ARG C1932 12.796 18.326 -3.704 1.00 2.79 H new ATOM 0 HH11 ARG C1932 13.760 19.066 -7.023 1.00 3.88 H new ATOM 0 HH12 ARG C1932 15.384 19.581 -6.555 1.00 3.88 H new ATOM 0 HH21 ARG C1932 14.868 18.977 -3.112 1.00 4.56 H new ATOM 0 HH22 ARG C1932 16.012 19.531 -4.339 1.00 4.56 H new ATOM 584 N ARG C1933 7.832 13.815 -7.095 1.00 0.74 N ATOM 585 CA ARG C1933 6.833 13.336 -8.040 1.00 0.76 C ATOM 586 C ARG C1933 6.998 11.822 -8.162 1.00 0.65 C ATOM 587 O ARG C1933 7.706 11.217 -7.360 1.00 0.69 O ATOM 588 CB ARG C1933 6.995 14.022 -9.403 1.00 0.95 C ATOM 589 CG ARG C1933 8.414 13.986 -9.940 1.00 1.66 C ATOM 590 CD ARG C1933 8.602 14.958 -11.091 1.00 1.80 C ATOM 591 NE ARG C1933 8.490 16.347 -10.655 1.00 2.56 N ATOM 592 CZ ARG C1933 7.601 17.207 -11.142 1.00 2.86 C ATOM 593 NH1 ARG C1933 6.761 16.825 -12.098 1.00 2.53 N ATOM 594 NH2 ARG C1933 7.563 18.451 -10.681 1.00 3.92 N ATOM 0 H ARG C1933 8.285 13.060 -6.580 1.00 0.74 H new ATOM 0 HA ARG C1933 5.831 13.575 -7.684 1.00 0.76 H new ATOM 0 HB2 ARG C1933 6.332 13.542 -10.122 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.675 15.060 -9.317 1.00 0.95 H new ATOM 0 HG2 ARG C1933 9.113 14.230 -9.140 1.00 1.66 H new ATOM 0 HG3 ARG C1933 8.652 12.976 -10.274 1.00 1.66 H new ATOM 0 HD2 ARG C1933 9.580 14.798 -11.545 1.00 1.80 H new ATOM 0 HD3 ARG C1933 7.856 14.758 -11.861 1.00 1.80 H new ATOM 0 HE ARG C1933 9.132 16.677 -9.934 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.798 15.872 -12.458 1.00 2.53 H new ATOM 0 HH12 ARG C1933 6.079 17.485 -12.471 1.00 2.53 H new ATOM 0 HH21 ARG C1933 8.215 18.746 -9.954 1.00 3.92 H new ATOM 0 HH22 ARG C1933 6.882 19.112 -11.053 1.00 3.92 H new ATOM 654 N ALA A 2 1.803 -1.968 -17.860 1.00 0.37 N ATOM 655 CA ALA A 2 2.286 -0.875 -17.033 1.00 0.33 C ATOM 656 C ALA A 2 3.160 -1.423 -15.924 1.00 0.30 C ATOM 657 O ALA A 2 2.898 -2.524 -15.443 1.00 0.39 O ATOM 658 CB ALA A 2 1.118 -0.103 -16.445 1.00 0.33 C ATOM 0 HA ALA A 2 2.874 -0.196 -17.650 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.495 0.713 -15.828 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.508 0.304 -17.251 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.512 -0.771 -15.833 1.00 0.33 H new ATOM 664 N CYS A 3 4.196 -0.670 -15.538 1.00 0.29 N ATOM 665 CA CYS A 3 5.078 -1.063 -14.446 1.00 0.27 C ATOM 666 C CYS A 3 4.256 -1.426 -13.216 1.00 0.22 C ATOM 667 O CYS A 3 3.763 -0.552 -12.507 1.00 0.21 O ATOM 668 CB CYS A 3 6.055 0.069 -14.126 1.00 0.32 C ATOM 669 SG CYS A 3 7.042 0.605 -15.544 1.00 0.43 S ATOM 0 H CYS A 3 4.441 0.220 -15.972 1.00 0.29 H new ATOM 0 HA CYS A 3 5.652 -1.939 -14.750 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.495 0.922 -13.742 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.726 -0.256 -13.331 1.00 0.32 H new ATOM 0 HG CYS A 3 7.838 1.566 -15.180 1.00 0.43 H new ATOM 675 N PRO A 4 4.106 -2.732 -12.963 1.00 0.20 N ATOM 676 CA PRO A 4 3.152 -3.260 -11.978 1.00 0.18 C ATOM 677 C PRO A 4 3.331 -2.658 -10.596 1.00 0.16 C ATOM 678 O PRO A 4 2.434 -1.990 -10.081 1.00 0.16 O ATOM 679 CB PRO A 4 3.493 -4.748 -11.949 1.00 0.21 C ATOM 680 CG PRO A 4 4.059 -5.024 -13.295 1.00 0.24 C ATOM 681 CD PRO A 4 4.869 -3.812 -13.622 1.00 0.24 C ATOM 0 HA PRO A 4 2.121 -3.032 -12.248 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.211 -4.976 -11.162 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.608 -5.355 -11.758 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.676 -5.923 -13.288 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.271 -5.184 -14.031 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.885 -3.886 -13.235 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.949 -3.655 -14.698 1.00 0.24 H new ATOM 689 N LEU A 5 4.497 -2.874 -10.009 1.00 0.16 N ATOM 690 CA LEU A 5 4.754 -2.403 -8.661 1.00 0.17 C ATOM 691 C LEU A 5 4.815 -0.879 -8.633 1.00 0.19 C ATOM 692 O LEU A 5 4.379 -0.256 -7.670 1.00 0.24 O ATOM 693 CB LEU A 5 6.055 -3.013 -8.124 1.00 0.17 C ATOM 694 CG LEU A 5 6.038 -3.404 -6.638 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.924 -2.181 -5.749 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.902 -4.372 -6.350 1.00 0.20 C ATOM 0 H LEU A 5 5.276 -3.370 -10.443 1.00 0.16 H new ATOM 0 HA LEU A 5 3.935 -2.722 -8.016 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.290 -3.900 -8.712 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.864 -2.300 -8.285 1.00 0.17 H new ATOM 0 HG LEU A 5 6.984 -3.898 -6.415 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.914 -2.490 -4.704 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.775 -1.523 -5.925 1.00 0.20 H new ATOM 0 HD13 LEU A 5 5.001 -1.649 -5.978 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.908 -4.636 -5.292 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.951 -3.902 -6.601 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.031 -5.273 -6.950 1.00 0.20 H new ATOM 708 N GLU A 6 5.318 -0.277 -9.706 1.00 0.19 N ATOM 709 CA GLU A 6 5.457 1.171 -9.754 1.00 0.23 C ATOM 710 C GLU A 6 4.092 1.847 -9.783 1.00 0.21 C ATOM 711 O GLU A 6 3.858 2.832 -9.077 1.00 0.25 O ATOM 712 CB GLU A 6 6.289 1.616 -10.959 1.00 0.32 C ATOM 713 CG GLU A 6 6.609 3.103 -10.954 1.00 0.47 C ATOM 714 CD GLU A 6 7.632 3.494 -12.001 1.00 0.90 C ATOM 715 OE1 GLU A 6 7.246 3.709 -13.169 1.00 1.39 O ATOM 716 OE2 GLU A 6 8.827 3.602 -11.657 1.00 1.78 O ATOM 0 H GLU A 6 5.633 -0.765 -10.545 1.00 0.19 H new ATOM 0 HA GLU A 6 5.981 1.476 -8.848 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.221 1.051 -10.977 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.750 1.371 -11.874 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.691 3.667 -11.123 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.980 3.385 -9.969 1.00 0.47 H new ATOM 723 N LYS A 7 3.184 1.306 -10.587 1.00 0.18 N ATOM 724 CA LYS A 7 1.844 1.855 -10.687 1.00 0.20 C ATOM 725 C LYS A 7 1.110 1.717 -9.360 1.00 0.17 C ATOM 726 O LYS A 7 0.276 2.544 -9.036 1.00 0.19 O ATOM 727 CB LYS A 7 1.046 1.194 -11.822 1.00 0.26 C ATOM 728 CG LYS A 7 1.545 1.564 -13.214 1.00 0.41 C ATOM 729 CD LYS A 7 1.466 3.064 -13.473 1.00 0.90 C ATOM 730 CE LYS A 7 0.028 3.558 -13.531 1.00 0.83 C ATOM 731 NZ LYS A 7 -0.048 5.026 -13.747 1.00 1.16 N ATOM 0 H LYS A 7 3.354 0.491 -11.176 1.00 0.18 H new ATOM 0 HA LYS A 7 1.936 2.915 -10.925 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.092 0.111 -11.705 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.002 1.480 -11.733 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.576 1.231 -13.329 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.954 1.036 -13.962 1.00 0.41 H new ATOM 0 HD2 LYS A 7 2.001 3.596 -12.686 1.00 0.90 H new ATOM 0 HD3 LYS A 7 1.967 3.296 -14.413 1.00 0.90 H new ATOM 0 HE2 LYS A 7 -0.499 3.045 -14.336 1.00 0.83 H new ATOM 0 HE3 LYS A 7 -0.481 3.301 -12.602 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 -1.043 5.311 -13.848 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 0.373 5.519 -12.933 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 0.473 5.277 -14.611 1.00 1.16 H new ATOM 745 N ALA A 8 1.451 0.693 -8.585 1.00 0.18 N ATOM 746 CA ALA A 8 0.829 0.475 -7.280 1.00 0.19 C ATOM 747 C ALA A 8 0.890 1.730 -6.409 1.00 0.17 C ATOM 748 O ALA A 8 -0.131 2.179 -5.893 1.00 0.21 O ATOM 749 CB ALA A 8 1.483 -0.698 -6.563 1.00 0.20 C ATOM 0 H ALA A 8 2.155 -0.001 -8.836 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.221 0.241 -7.454 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.006 -0.844 -5.594 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.369 -1.601 -7.163 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.543 -0.490 -6.418 1.00 0.20 H new ATOM 755 N LEU A 9 2.081 2.301 -6.256 1.00 0.14 N ATOM 756 CA LEU A 9 2.237 3.514 -5.448 1.00 0.14 C ATOM 757 C LEU A 9 1.663 4.720 -6.177 1.00 0.13 C ATOM 758 O LEU A 9 1.013 5.576 -5.572 1.00 0.16 O ATOM 759 CB LEU A 9 3.710 3.784 -5.101 1.00 0.15 C ATOM 760 CG LEU A 9 4.450 2.651 -4.382 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.569 2.030 -3.318 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.930 1.592 -5.358 1.00 0.15 C ATOM 0 H LEU A 9 2.944 1.952 -6.673 1.00 0.14 H new ATOM 0 HA LEU A 9 1.689 3.352 -4.520 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.244 4.012 -6.024 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.758 4.676 -4.476 1.00 0.15 H new ATOM 0 HG LEU A 9 5.328 3.083 -3.902 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.112 1.228 -2.819 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.291 2.789 -2.587 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.669 1.625 -3.781 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.450 0.804 -4.813 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.075 1.166 -5.883 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.610 2.044 -6.080 1.00 0.15 H new ATOM 774 N ASP A 10 1.903 4.766 -7.480 1.00 0.14 N ATOM 775 CA ASP A 10 1.437 5.863 -8.323 1.00 0.15 C ATOM 776 C ASP A 10 -0.077 6.015 -8.253 1.00 0.15 C ATOM 777 O ASP A 10 -0.593 7.106 -8.008 1.00 0.18 O ATOM 778 CB ASP A 10 1.872 5.620 -9.772 1.00 0.19 C ATOM 779 CG ASP A 10 1.258 6.602 -10.756 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.796 7.715 -10.908 1.00 1.19 O ATOM 781 OD2 ASP A 10 0.248 6.249 -11.402 1.00 1.18 O ATOM 0 H ASP A 10 2.424 4.048 -7.983 1.00 0.14 H new ATOM 0 HA ASP A 10 1.883 6.787 -7.955 1.00 0.15 H new ATOM 0 HB2 ASP A 10 2.958 5.685 -9.834 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.597 4.606 -10.062 1.00 0.19 H new ATOM 786 N VAL A 11 -0.782 4.910 -8.437 1.00 0.16 N ATOM 787 CA VAL A 11 -2.231 4.944 -8.515 1.00 0.18 C ATOM 788 C VAL A 11 -2.870 5.210 -7.160 1.00 0.18 C ATOM 789 O VAL A 11 -4.007 5.655 -7.100 1.00 0.23 O ATOM 790 CB VAL A 11 -2.815 3.646 -9.105 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.183 3.356 -10.454 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.633 2.477 -8.148 1.00 0.18 C ATOM 0 H VAL A 11 -0.374 3.980 -8.535 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.469 5.770 -9.186 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.887 3.783 -9.249 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.603 2.437 -10.862 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.386 4.182 -11.136 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -1.106 3.241 -10.334 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.055 1.575 -8.591 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.571 2.325 -7.957 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.143 2.693 -7.209 1.00 0.18 H new ATOM 802 N MET A 12 -2.153 4.948 -6.073 1.00 0.16 N ATOM 803 CA MET A 12 -2.698 5.229 -4.750 1.00 0.20 C ATOM 804 C MET A 12 -3.009 6.709 -4.624 1.00 0.24 C ATOM 805 O MET A 12 -4.121 7.091 -4.273 1.00 0.40 O ATOM 806 CB MET A 12 -1.747 4.815 -3.629 1.00 0.25 C ATOM 807 CG MET A 12 -1.554 3.318 -3.500 1.00 0.17 C ATOM 808 SD MET A 12 -0.939 2.850 -1.875 1.00 0.72 S ATOM 809 CE MET A 12 -0.711 1.098 -2.106 1.00 0.19 C ATOM 0 H MET A 12 -1.214 4.550 -6.079 1.00 0.16 H new ATOM 0 HA MET A 12 -3.609 4.640 -4.646 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.777 5.282 -3.800 1.00 0.25 H new ATOM 0 HB3 MET A 12 -2.126 5.204 -2.684 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.502 2.814 -3.687 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.855 2.976 -4.263 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.717 0.599 -1.137 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.520 0.704 -2.722 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.243 0.917 -2.601 1.00 0.19 H new ATOM 819 N VAL A 13 -2.028 7.540 -4.949 1.00 0.17 N ATOM 820 CA VAL A 13 -2.198 8.980 -4.847 1.00 0.19 C ATOM 821 C VAL A 13 -2.863 9.550 -6.101 1.00 0.20 C ATOM 822 O VAL A 13 -3.432 10.638 -6.070 1.00 0.28 O ATOM 823 CB VAL A 13 -0.861 9.699 -4.574 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.287 9.249 -3.241 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.144 9.462 -5.691 1.00 0.19 C ATOM 0 H VAL A 13 -1.112 7.242 -5.284 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.854 9.161 -3.995 1.00 0.19 H new ATOM 0 HB VAL A 13 -1.061 10.770 -4.534 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.657 9.763 -3.059 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.990 9.488 -2.443 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -0.115 8.173 -3.263 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.073 9.985 -5.462 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.342 8.394 -5.782 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.261 9.837 -6.631 1.00 0.19 H new ATOM 835 N SER A 14 -2.814 8.802 -7.197 1.00 0.19 N ATOM 836 CA SER A 14 -3.436 9.233 -8.443 1.00 0.22 C ATOM 837 C SER A 14 -4.951 9.029 -8.384 1.00 0.24 C ATOM 838 O SER A 14 -5.726 9.967 -8.586 1.00 0.28 O ATOM 839 CB SER A 14 -2.839 8.462 -9.626 1.00 0.24 C ATOM 840 OG SER A 14 -3.266 9.005 -10.865 1.00 1.12 O ATOM 0 H SER A 14 -2.350 7.895 -7.248 1.00 0.19 H new ATOM 0 HA SER A 14 -3.237 10.296 -8.582 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.751 8.491 -9.570 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.133 7.414 -9.565 1.00 0.24 H new ATOM 0 HG SER A 14 -2.868 8.494 -11.601 1.00 1.12 H new ATOM 846 N THR A 15 -5.362 7.801 -8.084 1.00 0.25 N ATOM 847 CA THR A 15 -6.772 7.459 -7.945 1.00 0.28 C ATOM 848 C THR A 15 -7.380 8.230 -6.775 1.00 0.30 C ATOM 849 O THR A 15 -8.579 8.511 -6.747 1.00 0.33 O ATOM 850 CB THR A 15 -6.936 5.941 -7.738 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.088 5.248 -8.662 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.370 5.489 -7.958 1.00 0.26 C ATOM 0 H THR A 15 -4.728 7.017 -7.931 1.00 0.25 H new ATOM 0 HA THR A 15 -7.297 7.738 -8.858 1.00 0.28 H new ATOM 0 HB THR A 15 -6.662 5.713 -6.708 1.00 0.28 H new ATOM 0 HG1 THR A 15 -5.196 5.141 -8.270 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.440 4.413 -7.802 1.00 0.26 H new ATOM 0 HG22 THR A 15 -9.025 6.001 -7.253 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.675 5.728 -8.977 1.00 0.26 H new ATOM 860 N PHE A 16 -6.520 8.566 -5.817 1.00 0.31 N ATOM 861 CA PHE A 16 -6.881 9.382 -4.664 1.00 0.37 C ATOM 862 C PHE A 16 -7.676 10.616 -5.089 1.00 0.42 C ATOM 863 O PHE A 16 -8.884 10.702 -4.860 1.00 0.54 O ATOM 864 CB PHE A 16 -5.606 9.835 -3.957 1.00 0.45 C ATOM 865 CG PHE A 16 -5.656 9.735 -2.466 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.612 10.419 -1.744 1.00 1.24 C ATOM 867 CD2 PHE A 16 -4.734 8.960 -1.788 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.649 10.329 -0.369 1.00 1.39 C ATOM 869 CE2 PHE A 16 -4.766 8.867 -0.416 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.728 9.552 0.294 1.00 0.99 C ATOM 0 H PHE A 16 -5.542 8.275 -5.821 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.500 8.782 -3.997 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.771 9.236 -4.321 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -5.400 10.869 -4.233 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -7.337 11.030 -2.260 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -3.980 8.421 -2.342 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -7.401 10.869 0.188 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -4.040 8.259 0.103 1.00 1.43 H new ATOM 0 HZ PHE A 16 -5.759 9.479 1.371 1.00 0.99 H new ATOM 880 N HIS A 17 -6.992 11.555 -5.742 1.00 0.44 N ATOM 881 CA HIS A 17 -7.603 12.821 -6.153 1.00 0.54 C ATOM 882 C HIS A 17 -8.611 12.612 -7.279 1.00 0.47 C ATOM 883 O HIS A 17 -9.399 13.502 -7.596 1.00 0.52 O ATOM 884 CB HIS A 17 -6.534 13.839 -6.589 1.00 0.72 C ATOM 885 CG HIS A 17 -5.679 13.406 -7.746 1.00 1.09 C ATOM 886 ND1 HIS A 17 -6.062 13.533 -9.065 1.00 2.16 N ATOM 887 CD2 HIS A 17 -4.440 12.867 -7.770 1.00 1.23 C ATOM 888 CE1 HIS A 17 -5.096 13.083 -9.846 1.00 2.80 C ATOM 889 NE2 HIS A 17 -4.101 12.675 -9.085 1.00 2.27 N ATOM 0 H HIS A 17 -6.009 11.463 -5.999 1.00 0.44 H new ATOM 0 HA HIS A 17 -8.131 13.219 -5.286 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -7.030 14.773 -6.853 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -5.887 14.051 -5.738 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -6.951 13.914 -9.387 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -3.829 12.631 -6.911 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -5.118 13.054 -10.925 1.00 2.80 H new ATOM 898 N LYS A 18 -8.579 11.428 -7.866 1.00 0.43 N ATOM 899 CA LYS A 18 -9.451 11.083 -8.976 1.00 0.46 C ATOM 900 C LYS A 18 -10.908 10.969 -8.513 1.00 0.44 C ATOM 901 O LYS A 18 -11.834 11.193 -9.292 1.00 0.62 O ATOM 902 CB LYS A 18 -8.966 9.764 -9.583 1.00 0.55 C ATOM 903 CG LYS A 18 -9.744 9.285 -10.794 1.00 0.77 C ATOM 904 CD LYS A 18 -9.201 7.950 -11.276 1.00 0.73 C ATOM 905 CE LYS A 18 -10.018 7.381 -12.416 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.522 6.041 -12.827 1.00 1.69 N ATOM 0 H LYS A 18 -7.947 10.678 -7.586 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.413 11.870 -9.730 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -7.919 9.876 -9.865 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -9.009 8.992 -8.815 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.799 9.186 -10.541 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.676 10.023 -11.593 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.167 8.075 -11.598 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.193 7.242 -10.447 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.063 7.306 -12.114 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -9.980 8.061 -13.267 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -9.768 5.870 -13.823 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.489 6.004 -12.714 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.962 5.310 -12.232 1.00 1.69 H new ATOM 920 N TYR A 19 -11.104 10.626 -7.242 1.00 0.37 N ATOM 921 CA TYR A 19 -12.452 10.471 -6.697 1.00 0.41 C ATOM 922 C TYR A 19 -12.697 11.405 -5.519 1.00 0.48 C ATOM 923 O TYR A 19 -13.698 12.097 -5.496 1.00 0.73 O ATOM 924 CB TYR A 19 -12.701 9.019 -6.270 1.00 0.43 C ATOM 925 CG TYR A 19 -12.645 8.027 -7.413 1.00 0.38 C ATOM 926 CD1 TYR A 19 -11.432 7.520 -7.852 1.00 1.14 C ATOM 927 CD2 TYR A 19 -13.802 7.600 -8.053 1.00 1.18 C ATOM 928 CE1 TYR A 19 -11.371 6.619 -8.894 1.00 1.14 C ATOM 929 CE2 TYR A 19 -13.746 6.695 -9.100 1.00 1.21 C ATOM 930 CZ TYR A 19 -12.523 6.208 -9.514 1.00 0.48 C ATOM 931 OH TYR A 19 -12.445 5.311 -10.556 1.00 0.59 O ATOM 0 H TYR A 19 -10.353 10.451 -6.574 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.151 10.737 -7.490 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.960 8.738 -5.521 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.678 8.953 -5.792 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -10.519 7.836 -7.370 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -14.760 7.980 -7.729 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -10.416 6.237 -9.222 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -14.653 6.373 -9.589 1.00 1.21 H new ATOM 0 HH TYR A 19 -11.530 4.968 -10.624 1.00 0.59 H new ATOM 941 N SER A 20 -11.768 11.442 -4.566 1.00 0.38 N ATOM 942 CA SER A 20 -11.970 12.190 -3.316 1.00 0.45 C ATOM 943 C SER A 20 -12.308 13.662 -3.567 1.00 0.54 C ATOM 944 O SER A 20 -13.099 14.261 -2.837 1.00 0.68 O ATOM 945 CB SER A 20 -10.721 12.084 -2.444 1.00 0.47 C ATOM 946 OG SER A 20 -9.574 12.517 -3.148 1.00 0.52 O ATOM 0 H SER A 20 -10.868 10.966 -4.630 1.00 0.38 H new ATOM 0 HA SER A 20 -12.822 11.745 -2.802 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.849 12.686 -1.544 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.586 11.052 -2.120 1.00 0.47 H new ATOM 0 HG SER A 20 -9.310 11.831 -3.796 1.00 0.52 H new ATOM 952 N GLY A 21 -11.721 14.227 -4.619 1.00 0.54 N ATOM 953 CA GLY A 21 -11.940 15.625 -4.934 1.00 0.65 C ATOM 954 C GLY A 21 -13.310 15.895 -5.532 1.00 0.68 C ATOM 955 O GLY A 21 -13.595 17.018 -5.957 1.00 0.82 O ATOM 0 H GLY A 21 -11.096 13.738 -5.260 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.823 16.218 -4.027 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -11.173 15.958 -5.633 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.103 13.348 0.669 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.059 12.884 1.662 1.00 0.64 C ATOM 1059 C LYS A 28 -11.245 12.210 0.990 1.00 0.48 C ATOM 1060 O LYS A 28 -11.983 12.841 0.237 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.552 14.069 2.501 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.279 13.667 3.772 1.00 1.00 C ATOM 1063 CD LYS A 28 -10.296 13.289 4.864 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.519 14.507 5.354 1.00 1.55 C ATOM 1065 NZ LYS A 28 -8.668 14.199 6.533 1.00 2.03 N ATOM 0 HA LYS A 28 -9.563 12.159 2.307 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -9.699 14.694 2.765 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.218 14.680 1.892 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -11.907 14.491 4.112 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.941 12.826 3.566 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -10.832 12.837 5.698 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.601 12.539 4.487 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -8.893 14.884 4.546 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -10.219 15.302 5.612 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -8.349 15.086 6.972 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -9.217 13.649 7.223 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -7.841 13.646 6.229 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.444 10.935 1.282 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.549 10.191 0.690 1.00 0.32 C ATOM 1081 C LEU A 29 -13.599 9.853 1.728 1.00 0.34 C ATOM 1082 O LEU A 29 -13.279 9.504 2.866 1.00 0.40 O ATOM 1083 CB LEU A 29 -12.078 8.893 0.029 1.00 0.30 C ATOM 1084 CG LEU A 29 -11.159 9.055 -1.176 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.711 9.140 -0.732 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.364 7.914 -2.157 1.00 0.33 C ATOM 0 H LEU A 29 -10.860 10.395 1.921 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.980 10.839 -0.073 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.561 8.293 0.778 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.956 8.327 -0.282 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.411 9.986 -1.684 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -9.069 9.255 -1.605 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.583 9.997 -0.071 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.439 8.228 -0.200 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.700 8.045 -3.012 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -11.140 6.967 -1.666 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.399 7.910 -2.499 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.851 9.953 1.328 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.953 9.548 2.178 1.00 0.35 C ATOM 1100 C ASN A 30 -16.509 8.231 1.665 1.00 0.31 C ATOM 1101 O ASN A 30 -15.944 7.640 0.738 1.00 0.29 O ATOM 1102 CB ASN A 30 -17.053 10.613 2.194 1.00 0.41 C ATOM 1103 CG ASN A 30 -16.506 12.017 2.331 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -16.256 12.499 3.435 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -16.347 12.694 1.206 1.00 0.63 N ATOM 0 H ASN A 30 -15.131 10.313 0.416 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.591 9.428 3.199 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.635 10.542 1.275 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -17.736 10.412 3.019 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -16.005 13.655 1.233 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.566 12.256 0.312 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.601 7.774 2.266 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.256 6.529 1.860 1.00 0.31 C ATOM 1114 C LYS A 31 -18.461 6.464 0.347 1.00 0.30 C ATOM 1115 O LYS A 31 -18.096 5.478 -0.294 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.612 6.390 2.557 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.527 6.279 4.070 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.911 6.240 4.696 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.840 6.110 6.207 1.00 1.22 C ATOM 1120 NZ LYS A 31 -22.188 6.160 6.831 1.00 1.70 N ATOM 0 H LYS A 31 -18.058 8.250 3.044 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.601 5.709 2.155 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.229 7.251 2.301 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -20.119 5.507 2.167 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.977 5.378 4.341 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.968 7.126 4.469 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.455 7.148 4.434 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.473 5.402 4.285 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.354 5.170 6.468 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -20.222 6.912 6.612 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.097 6.068 7.863 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.643 7.067 6.603 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.770 5.380 6.464 1.00 1.70 H new ATOM 1134 N SER A 32 -19.039 7.517 -0.218 1.00 0.32 N ATOM 1135 CA SER A 32 -19.380 7.538 -1.637 1.00 0.34 C ATOM 1136 C SER A 32 -18.129 7.488 -2.511 1.00 0.31 C ATOM 1137 O SER A 32 -18.106 6.801 -3.537 1.00 0.34 O ATOM 1138 CB SER A 32 -20.201 8.789 -1.961 1.00 0.43 C ATOM 1139 OG SER A 32 -20.740 8.739 -3.273 1.00 1.29 O ATOM 0 H SER A 32 -19.282 8.370 0.285 1.00 0.32 H new ATOM 0 HA SER A 32 -19.975 6.651 -1.854 1.00 0.34 H new ATOM 0 HB2 SER A 32 -21.011 8.890 -1.239 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.572 9.673 -1.860 1.00 0.43 H new ATOM 0 HG SER A 32 -21.259 9.552 -3.445 1.00 1.29 H new ATOM 1145 N GLU A 33 -17.083 8.185 -2.082 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.870 8.311 -2.871 1.00 0.31 C ATOM 1147 C GLU A 33 -15.144 6.986 -2.927 1.00 0.26 C ATOM 1148 O GLU A 33 -14.709 6.543 -3.991 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.965 9.379 -2.269 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.659 10.716 -2.088 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.173 11.296 -3.393 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.049 10.673 -4.035 1.00 1.46 O ATOM 1153 OE2 GLU A 33 -15.724 12.391 -3.763 1.00 1.68 O ATOM 0 H GLU A 33 -17.054 8.673 -1.187 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.139 8.606 -3.885 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.598 9.033 -1.302 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.094 9.513 -2.911 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -16.493 10.596 -1.396 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.965 11.421 -1.631 1.00 0.51 H new ATOM 1160 N LEU A 34 -15.028 6.354 -1.773 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.422 5.045 -1.691 1.00 0.20 C ATOM 1162 C LEU A 34 -15.245 4.032 -2.456 1.00 0.20 C ATOM 1163 O LEU A 34 -14.698 3.223 -3.201 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.268 4.613 -0.241 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.999 5.113 0.430 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -13.032 4.797 1.907 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.785 4.486 -0.232 1.00 0.18 C ATOM 0 H LEU A 34 -15.347 6.730 -0.880 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.431 5.100 -2.141 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -15.129 4.969 0.325 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.284 3.524 -0.195 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.934 6.195 0.316 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.118 5.160 2.377 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.893 5.284 2.364 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.109 3.719 2.047 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.878 4.848 0.253 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.839 3.401 -0.138 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.765 4.758 -1.287 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.562 4.089 -2.291 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.440 3.173 -2.994 1.00 0.29 C ATOM 1181 C LYS A 35 -17.205 3.263 -4.484 1.00 0.25 C ATOM 1182 O LYS A 35 -16.958 2.255 -5.129 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.914 3.438 -2.672 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.851 2.434 -3.328 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.239 2.457 -2.708 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.980 3.737 -3.034 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.293 3.804 -2.344 1.00 0.89 N ATOM 0 H LYS A 35 -17.038 4.755 -1.682 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.205 2.164 -2.654 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -19.056 3.409 -1.592 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -19.178 4.443 -3.001 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.927 2.652 -4.393 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.430 1.433 -3.237 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.812 1.603 -3.069 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.156 2.351 -1.626 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.372 4.593 -2.743 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.131 3.805 -4.111 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.905 4.491 -2.829 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.742 2.866 -2.361 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.152 4.102 -1.358 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.235 4.473 -5.019 1.00 0.25 N ATOM 1202 CA GLU A 36 -17.030 4.673 -6.442 1.00 0.28 C ATOM 1203 C GLU A 36 -15.663 4.139 -6.855 1.00 0.28 C ATOM 1204 O GLU A 36 -15.538 3.423 -7.847 1.00 0.34 O ATOM 1205 CB GLU A 36 -17.142 6.152 -6.788 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.570 6.402 -8.219 1.00 0.66 C ATOM 1207 CD GLU A 36 -17.597 7.871 -8.569 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.438 8.605 -8.007 1.00 1.49 O ATOM 1209 OE2 GLU A 36 -16.780 8.300 -9.412 1.00 1.28 O ATOM 0 H GLU A 36 -17.399 5.329 -4.489 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.800 4.127 -6.987 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.858 6.622 -6.114 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.179 6.632 -6.615 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -16.889 5.884 -8.894 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.561 5.976 -8.378 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.652 4.473 -6.064 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.291 4.006 -6.288 1.00 0.27 C ATOM 1218 C LEU A 37 -13.254 2.483 -6.391 1.00 0.23 C ATOM 1219 O LEU A 37 -12.742 1.932 -7.369 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.404 4.503 -5.143 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.899 4.447 -5.389 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.250 5.733 -4.905 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.286 3.255 -4.676 1.00 0.74 C ATOM 0 H LEU A 37 -14.753 5.076 -5.248 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.917 4.404 -7.231 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.677 5.534 -4.920 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.629 3.914 -4.254 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.724 4.337 -6.459 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.176 5.688 -5.083 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.672 6.580 -5.446 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.436 5.855 -3.838 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.212 3.232 -4.863 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.466 3.340 -3.604 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.739 2.336 -5.048 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.834 1.813 -5.407 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.871 0.359 -5.393 1.00 0.20 C ATOM 1237 C LEU A 38 -14.774 -0.192 -6.497 1.00 0.22 C ATOM 1238 O LEU A 38 -14.405 -1.131 -7.185 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.320 -0.160 -4.024 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.232 -0.167 -2.945 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.546 0.833 -1.848 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -13.075 -1.561 -2.359 1.00 0.21 C ATOM 0 H LEU A 38 -14.286 2.254 -4.606 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.858 0.005 -5.585 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -15.152 0.452 -3.675 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.699 -1.175 -4.143 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.292 0.126 -3.412 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.758 0.807 -1.096 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.607 1.834 -2.275 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.499 0.577 -1.384 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.298 -1.549 -1.594 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -14.018 -1.877 -1.913 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.796 -2.258 -3.149 1.00 0.21 H new ATOM 1254 N THR A 39 -15.943 0.402 -6.678 1.00 0.23 N ATOM 1255 CA THR A 39 -16.896 -0.069 -7.695 1.00 0.26 C ATOM 1256 C THR A 39 -16.286 -0.020 -9.092 1.00 0.27 C ATOM 1257 O THR A 39 -16.623 -0.824 -9.962 1.00 0.30 O ATOM 1258 CB THR A 39 -18.214 0.749 -7.699 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.946 2.146 -7.865 1.00 0.33 O ATOM 1260 CG2 THR A 39 -19.000 0.532 -6.420 1.00 0.30 C ATOM 0 H THR A 39 -16.262 1.208 -6.141 1.00 0.23 H new ATOM 0 HA THR A 39 -17.128 -1.100 -7.429 1.00 0.26 H new ATOM 0 HB THR A 39 -18.812 0.397 -8.540 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.980 2.286 -7.953 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.918 1.119 -6.453 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.248 -0.525 -6.320 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.400 0.846 -5.566 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.385 0.925 -9.299 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.760 1.106 -10.593 1.00 0.30 C ATOM 1270 C ARG A 40 -13.498 0.261 -10.718 1.00 0.29 C ATOM 1271 O ARG A 40 -13.410 -0.619 -11.571 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.425 2.584 -10.813 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.648 3.486 -10.894 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.520 3.144 -12.088 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.820 3.352 -13.356 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.165 2.763 -14.501 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -17.212 1.947 -14.539 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.469 2.998 -15.606 1.00 1.09 N ATOM 0 H ARG A 40 -15.071 1.580 -8.583 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.465 0.779 -11.358 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.786 2.927 -10.000 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.850 2.683 -11.734 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -16.231 3.391 -9.978 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.329 4.526 -10.962 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.840 2.105 -12.017 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.421 3.757 -12.066 1.00 0.47 H new ATOM 0 HE ARG A 40 -15.021 3.985 -13.364 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.752 1.771 -13.692 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.476 1.496 -15.415 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.669 3.630 -15.580 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -15.734 2.547 -16.481 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.527 0.527 -9.858 1.00 0.29 N ATOM 1293 CA GLU A 41 -11.204 -0.060 -10.005 1.00 0.32 C ATOM 1294 C GLU A 41 -10.940 -1.237 -9.068 1.00 0.35 C ATOM 1295 O GLU A 41 -9.923 -1.903 -9.200 1.00 0.46 O ATOM 1296 CB GLU A 41 -10.148 1.021 -9.848 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.957 1.807 -11.126 1.00 0.47 C ATOM 1298 CD GLU A 41 -9.248 3.121 -10.928 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -8.014 3.114 -10.754 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -9.930 4.172 -10.974 1.00 1.54 O ATOM 0 H GLU A 41 -12.630 1.144 -9.052 1.00 0.29 H new ATOM 0 HA GLU A 41 -11.153 -0.483 -11.008 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.437 1.698 -9.044 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -9.202 0.566 -9.556 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -9.390 1.201 -11.833 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.932 1.994 -11.576 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.831 -1.497 -8.122 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.658 -2.654 -7.239 1.00 0.29 C ATOM 1309 C LEU A 42 -12.903 -3.554 -7.212 1.00 0.28 C ATOM 1310 O LEU A 42 -13.262 -4.058 -6.150 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.350 -2.218 -5.794 1.00 0.27 C ATOM 1312 CG LEU A 42 -10.115 -1.343 -5.590 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.425 0.116 -5.903 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.598 -1.488 -4.166 1.00 0.31 C ATOM 0 H LEU A 42 -12.666 -0.939 -7.944 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.817 -3.216 -7.647 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.216 -1.679 -5.409 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.236 -3.115 -5.185 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.339 -1.677 -6.279 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.530 0.719 -5.750 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.750 0.205 -6.940 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.217 0.469 -5.243 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.717 -0.859 -4.033 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.373 -1.180 -3.464 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.333 -2.529 -3.979 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.567 -3.827 -8.360 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.819 -4.582 -8.356 1.00 0.34 C ATOM 1328 C PRO A 43 -14.570 -6.044 -8.030 1.00 0.35 C ATOM 1329 O PRO A 43 -15.448 -6.746 -7.531 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.366 -4.436 -9.780 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.464 -3.465 -10.469 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.159 -3.491 -9.730 1.00 0.36 C ATOM 0 HA PRO A 43 -15.515 -4.213 -7.603 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.373 -5.396 -10.296 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.394 -4.073 -9.768 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.323 -3.742 -11.514 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.894 -2.463 -10.460 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.476 -4.234 -10.142 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.649 -2.529 -9.776 1.00 0.36 H new ATOM 1340 N SER A 44 -13.352 -6.486 -8.301 1.00 0.37 N ATOM 1341 CA SER A 44 -12.937 -7.833 -7.978 1.00 0.41 C ATOM 1342 C SER A 44 -12.870 -7.999 -6.463 1.00 0.37 C ATOM 1343 O SER A 44 -13.020 -9.100 -5.936 1.00 0.42 O ATOM 1344 CB SER A 44 -11.576 -8.118 -8.617 1.00 0.48 C ATOM 1345 OG SER A 44 -11.583 -7.760 -9.993 1.00 1.09 O ATOM 0 H SER A 44 -12.630 -5.921 -8.749 1.00 0.37 H new ATOM 0 HA SER A 44 -13.661 -8.546 -8.372 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.799 -7.560 -8.095 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.334 -9.176 -8.512 1.00 0.48 H new ATOM 0 HG SER A 44 -10.888 -7.090 -10.160 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.689 -6.873 -5.774 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.598 -6.854 -4.321 1.00 0.34 C ATOM 1353 C PHE A 45 -13.937 -6.456 -3.709 1.00 0.36 C ATOM 1354 O PHE A 45 -14.024 -6.135 -2.526 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.500 -5.887 -3.873 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.149 -6.222 -4.438 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.393 -7.250 -3.897 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.639 -5.516 -5.516 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -8.154 -7.564 -4.418 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.401 -5.827 -6.043 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.657 -6.853 -5.494 1.00 0.46 C ATOM 0 H PHE A 45 -12.602 -5.954 -6.208 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.344 -7.856 -3.975 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.771 -4.875 -4.174 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.443 -5.892 -2.785 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.778 -7.812 -3.058 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.217 -4.713 -5.949 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.573 -8.365 -3.985 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.015 -5.269 -6.883 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.689 -7.099 -5.905 1.00 0.46 H new ATOM 1371 N LEU A 46 -14.970 -6.431 -4.539 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.333 -6.233 -4.058 1.00 0.40 C ATOM 1373 C LEU A 46 -17.202 -7.422 -4.442 1.00 0.55 C ATOM 1374 O LEU A 46 -18.200 -7.713 -3.794 1.00 0.70 O ATOM 1375 CB LEU A 46 -16.936 -4.946 -4.624 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.097 -3.685 -4.413 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.773 -2.493 -5.061 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.870 -3.429 -2.927 1.00 0.30 C ATOM 0 H LEU A 46 -14.892 -6.545 -5.550 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.298 -6.147 -2.972 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -17.099 -5.080 -5.693 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -17.915 -4.792 -4.170 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.125 -3.834 -4.883 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.166 -1.601 -4.904 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.883 -2.674 -6.130 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.757 -2.346 -4.615 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.271 -2.527 -2.801 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.831 -3.299 -2.429 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.346 -4.278 -2.488 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.838 -8.072 -5.535 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.503 -9.289 -5.959 1.00 0.82 C ATOM 1392 C GLY A 47 -18.795 -9.038 -6.712 1.00 0.87 C ATOM 1393 O GLY A 47 -19.101 -9.768 -7.654 1.00 1.23 O ATOM 0 H GLY A 47 -16.079 -7.773 -6.148 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -16.827 -9.862 -6.594 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -17.715 -9.903 -5.083 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.520 -7.987 -6.318 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.767 -7.579 -6.972 1.00 0.95 C ATOM 1399 C LYS A 48 -21.537 -6.602 -6.090 1.00 0.73 C ATOM 1400 O LYS A 48 -21.581 -5.404 -6.358 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.675 -8.783 -7.280 1.00 1.43 C ATOM 1402 CG LYS A 48 -22.985 -8.412 -7.962 1.00 2.17 C ATOM 1403 CD LYS A 48 -22.750 -7.716 -9.295 1.00 2.32 C ATOM 1404 CE LYS A 48 -24.060 -7.316 -9.959 1.00 2.88 C ATOM 1405 NZ LYS A 48 -24.853 -6.378 -9.121 1.00 3.51 N ATOM 0 H LYS A 48 -19.257 -7.392 -5.532 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.489 -7.101 -7.911 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -21.131 -9.482 -7.916 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.897 -9.305 -6.349 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -23.580 -9.312 -8.121 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -23.563 -7.759 -7.308 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -22.135 -6.830 -9.139 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -22.193 -8.378 -9.958 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -23.850 -6.851 -10.922 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -24.651 -8.210 -10.159 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -25.617 -5.963 -9.692 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -25.263 -6.893 -8.316 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -24.234 -5.620 -8.768 1.00 3.51 H new ATOM 1419 N ARG A 49 -22.102 -7.131 -5.020 1.00 0.73 N ATOM 1420 CA ARG A 49 -23.064 -6.395 -4.204 1.00 0.70 C ATOM 1421 C ARG A 49 -22.375 -5.473 -3.202 1.00 0.61 C ATOM 1422 O ARG A 49 -22.167 -5.832 -2.044 1.00 0.75 O ATOM 1423 CB ARG A 49 -23.996 -7.374 -3.478 1.00 0.97 C ATOM 1424 CG ARG A 49 -23.255 -8.440 -2.679 1.00 1.10 C ATOM 1425 CD ARG A 49 -24.200 -9.296 -1.860 1.00 1.54 C ATOM 1426 NE ARG A 49 -25.025 -10.169 -2.691 1.00 2.02 N ATOM 1427 CZ ARG A 49 -25.912 -11.031 -2.201 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -26.105 -11.114 -0.891 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -26.615 -11.800 -3.022 1.00 3.24 N ATOM 0 H ARG A 49 -21.912 -8.077 -4.689 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.652 -5.766 -4.872 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.646 -6.814 -2.806 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -24.639 -7.862 -4.210 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -22.689 -9.075 -3.360 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -22.534 -7.961 -2.017 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -23.623 -9.903 -1.162 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -24.845 -8.651 -1.264 1.00 1.54 H new ATOM 0 HE ARG A 49 -24.915 -10.115 -3.704 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -25.573 -10.516 -0.258 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -26.785 -11.775 -0.517 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -26.476 -11.731 -4.030 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -27.295 -12.461 -2.645 1.00 3.24 H new ATOM 1443 N THR A 50 -21.996 -4.289 -3.647 1.00 0.55 N ATOM 1444 CA THR A 50 -21.396 -3.332 -2.745 1.00 0.50 C ATOM 1445 C THR A 50 -22.263 -2.122 -2.509 1.00 0.50 C ATOM 1446 O THR A 50 -22.324 -1.196 -3.318 1.00 0.56 O ATOM 1447 CB THR A 50 -20.012 -2.900 -3.194 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.843 -3.171 -4.593 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.984 -3.646 -2.371 1.00 0.51 C ATOM 0 H THR A 50 -22.092 -3.973 -4.612 1.00 0.55 H new ATOM 0 HA THR A 50 -21.298 -3.861 -1.797 1.00 0.50 H new ATOM 0 HB THR A 50 -19.885 -1.828 -3.044 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.853 -2.328 -5.093 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.983 -3.347 -2.681 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.122 -3.411 -1.316 1.00 0.51 H new ATOM 0 HG23 THR A 50 -19.105 -4.719 -2.522 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.941 -2.163 -1.396 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.715 -1.037 -0.919 1.00 0.51 C ATOM 1459 C ASP A 51 -23.074 -0.489 0.343 1.00 0.44 C ATOM 1460 O ASP A 51 -21.951 -0.867 0.685 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.167 -1.443 -0.660 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.965 -1.579 -1.941 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.427 -0.543 -2.470 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.139 -2.716 -2.428 1.00 1.94 O ATOM 0 H ASP A 51 -22.976 -2.980 -0.787 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.724 -0.260 -1.683 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.186 -2.390 -0.121 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.640 -0.701 -0.017 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.789 0.378 1.045 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.281 0.965 2.281 1.00 0.46 C ATOM 1471 C GLU A 52 -23.068 -0.117 3.341 1.00 0.46 C ATOM 1472 O GLU A 52 -22.320 0.075 4.301 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.258 2.022 2.799 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.649 3.053 1.750 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.496 3.927 1.311 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -23.245 4.963 1.962 1.00 1.44 O ATOM 1477 OE2 GLU A 52 -22.852 3.597 0.291 1.00 1.27 O ATOM 0 H GLU A 52 -24.723 0.692 0.782 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.322 1.439 2.072 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.158 1.526 3.163 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.809 2.534 3.651 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -25.058 2.539 0.880 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.443 3.684 2.149 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.724 -1.258 3.140 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.619 -2.393 4.051 1.00 0.58 C ATOM 1486 C ALA A 53 -22.189 -2.923 4.124 1.00 0.57 C ATOM 1487 O ALA A 53 -21.615 -3.023 5.207 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.572 -3.496 3.621 1.00 0.65 C ATOM 0 H ALA A 53 -24.341 -1.420 2.344 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.895 -2.051 5.048 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.486 -4.339 4.307 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.595 -3.119 3.635 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.319 -3.822 2.612 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.609 -3.252 2.972 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.240 -3.764 2.927 1.00 0.50 C ATOM 1496 C ALA A 54 -19.250 -2.680 3.327 1.00 0.45 C ATOM 1497 O ALA A 54 -18.225 -2.945 3.955 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.901 -4.285 1.535 1.00 0.49 C ATOM 0 H ALA A 54 -22.062 -3.174 2.061 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.168 -4.589 3.636 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.878 -4.661 1.526 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.586 -5.091 1.272 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.997 -3.476 0.811 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.574 -1.454 2.974 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.688 -0.332 3.216 1.00 0.32 C ATOM 1506 C PHE A 55 -18.670 0.083 4.682 1.00 0.34 C ATOM 1507 O PHE A 55 -17.760 0.788 5.111 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.051 0.829 2.294 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.431 0.661 0.940 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.966 -0.228 0.022 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.289 1.360 0.601 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.376 -0.410 -1.212 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -16.691 1.176 -0.627 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.234 0.291 -1.535 1.00 0.31 C ATOM 0 H PHE A 55 -20.451 -1.207 2.515 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.671 -0.647 2.984 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.135 0.893 2.195 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.715 1.767 2.737 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.856 -0.785 0.275 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.860 2.058 1.305 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.808 -1.099 -1.922 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -15.796 1.726 -0.879 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.765 0.148 -2.497 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.659 -0.370 5.444 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.725 -0.074 6.873 1.00 0.40 C ATOM 1526 C GLN A 56 -18.435 -0.496 7.586 1.00 0.37 C ATOM 1527 O GLN A 56 -17.856 0.284 8.347 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.928 -0.778 7.511 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.135 -0.417 8.975 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.286 -1.169 9.620 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.300 -1.500 8.837 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -22.266 -1.439 10.822 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.427 -0.944 5.097 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.842 1.004 6.985 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.828 -0.523 6.951 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.795 -1.857 7.426 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.219 -0.626 9.527 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.319 0.654 9.056 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -21.466 -1.167 11.393 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.050 -1.935 11.246 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.978 -1.722 7.334 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.763 -2.221 7.970 1.00 0.35 C ATOM 1543 C LYS A 57 -15.530 -1.668 7.284 1.00 0.29 C ATOM 1544 O LYS A 57 -14.532 -1.385 7.937 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.714 -3.750 7.955 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.107 -4.415 9.269 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.970 -4.420 10.291 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.832 -3.096 11.027 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.819 -3.175 12.114 1.00 0.92 N ATOM 0 H LYS A 57 -18.427 -2.382 6.699 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.778 -1.883 9.006 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.375 -4.113 7.168 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -15.704 -4.065 7.693 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.967 -3.896 9.691 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.419 -5.441 9.073 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -16.142 -5.216 11.015 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -15.033 -4.648 9.783 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.549 -2.315 10.321 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.796 -2.811 11.448 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.060 -2.495 12.863 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.809 -4.137 12.510 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.879 -2.949 11.730 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.605 -1.518 5.967 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.500 -0.959 5.201 1.00 0.20 C ATOM 1565 C LEU A 58 -14.139 0.415 5.735 1.00 0.20 C ATOM 1566 O LEU A 58 -13.055 0.606 6.276 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.866 -0.870 3.717 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.814 -0.194 2.839 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.444 -0.797 3.098 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.190 -0.311 1.370 1.00 0.23 C ATOM 0 H LEU A 58 -16.419 -1.776 5.409 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.637 -1.617 5.305 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -15.042 -1.877 3.339 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.805 -0.325 3.620 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.775 0.865 3.094 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.705 -0.306 2.465 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.177 -0.656 4.145 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.466 -1.863 2.869 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.429 0.176 0.760 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.257 -1.363 1.094 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.153 0.170 1.202 1.00 0.23 H new ATOM 1582 N MET A 59 -15.066 1.345 5.576 1.00 0.21 N ATOM 1583 CA MET A 59 -14.943 2.704 6.093 1.00 0.26 C ATOM 1584 C MET A 59 -14.415 2.726 7.528 1.00 0.27 C ATOM 1585 O MET A 59 -13.526 3.506 7.857 1.00 0.33 O ATOM 1586 CB MET A 59 -16.313 3.380 6.058 1.00 0.36 C ATOM 1587 CG MET A 59 -16.236 4.855 5.756 1.00 0.34 C ATOM 1588 SD MET A 59 -15.701 5.153 4.067 1.00 0.72 S ATOM 1589 CE MET A 59 -14.829 6.688 4.285 1.00 0.32 C ATOM 0 H MET A 59 -15.940 1.178 5.077 1.00 0.21 H new ATOM 0 HA MET A 59 -14.230 3.236 5.463 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.933 2.893 5.305 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.807 3.237 7.019 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.213 5.312 5.916 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.543 5.334 6.448 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.083 6.798 3.498 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.534 7.517 4.235 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.335 6.691 5.256 1.00 0.32 H new ATOM 1599 N SER A 60 -14.969 1.860 8.365 1.00 0.28 N ATOM 1600 CA SER A 60 -14.651 1.839 9.789 1.00 0.35 C ATOM 1601 C SER A 60 -13.233 1.346 10.046 1.00 0.32 C ATOM 1602 O SER A 60 -12.475 1.959 10.796 1.00 0.36 O ATOM 1603 CB SER A 60 -15.625 0.919 10.502 1.00 0.41 C ATOM 1604 OG SER A 60 -15.528 1.046 11.908 1.00 0.64 O ATOM 0 H SER A 60 -15.648 1.155 8.080 1.00 0.28 H new ATOM 0 HA SER A 60 -14.730 2.859 10.165 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.642 1.149 10.185 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.427 -0.114 10.215 1.00 0.41 H new ATOM 0 HG SER A 60 -16.169 0.441 12.336 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.892 0.216 9.442 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.571 -0.372 9.597 1.00 0.31 C ATOM 1612 C ASN A 61 -10.540 0.545 8.984 1.00 0.31 C ATOM 1613 O ASN A 61 -9.455 0.742 9.526 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.524 -1.734 8.917 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.225 -2.820 9.705 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.321 -2.756 10.928 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.716 -3.833 9.005 1.00 0.57 N ATOM 0 H ASN A 61 -13.518 -0.314 8.836 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.356 -0.502 10.658 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.982 -1.656 7.931 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.484 -2.020 8.763 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.195 -4.597 9.481 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.615 -3.848 7.990 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.919 1.106 7.850 1.00 0.30 N ATOM 1625 CA LEU A 62 -10.085 2.047 7.123 1.00 0.33 C ATOM 1626 C LEU A 62 -9.767 3.274 7.958 1.00 0.33 C ATOM 1627 O LEU A 62 -8.605 3.545 8.260 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.795 2.483 5.848 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.896 2.547 4.636 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.130 1.255 4.534 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.700 2.789 3.375 1.00 0.28 C ATOM 0 H LEU A 62 -11.818 0.921 7.405 1.00 0.30 H new ATOM 0 HA LEU A 62 -9.149 1.544 6.882 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.613 1.792 5.645 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -11.240 3.465 6.010 1.00 0.37 H new ATOM 0 HG LEU A 62 -9.202 3.380 4.746 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.476 1.287 3.662 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.530 1.116 5.433 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -9.829 0.425 4.433 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -10.028 2.831 2.518 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.414 1.977 3.237 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -11.237 3.734 3.462 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.807 4.018 8.305 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.656 5.215 9.113 1.00 0.43 C ATOM 1645 C ASP A 63 -10.102 4.830 10.472 1.00 0.38 C ATOM 1646 O ASP A 63 -10.804 4.237 11.282 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.006 5.915 9.278 1.00 0.56 C ATOM 1648 CG ASP A 63 -11.881 7.287 9.904 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.023 7.473 10.781 1.00 1.56 O ATOM 1650 OD2 ASP A 63 -12.667 8.180 9.543 1.00 1.35 O ATOM 0 H ASP A 63 -11.769 3.811 8.037 1.00 0.37 H new ATOM 0 HA ASP A 63 -9.969 5.901 8.618 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.484 6.008 8.303 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.658 5.297 9.895 1.00 0.56 H new ATOM 1655 N SER A 64 -8.856 5.182 10.721 1.00 0.37 N ATOM 1656 CA SER A 64 -8.152 4.709 11.897 1.00 0.41 C ATOM 1657 C SER A 64 -8.658 5.395 13.171 1.00 0.52 C ATOM 1658 O SER A 64 -8.357 4.959 14.286 1.00 0.64 O ATOM 1659 CB SER A 64 -6.653 4.938 11.718 1.00 0.45 C ATOM 1660 OG SER A 64 -6.340 6.321 11.765 1.00 0.58 O ATOM 0 H SER A 64 -8.307 5.798 10.121 1.00 0.37 H new ATOM 0 HA SER A 64 -8.344 3.642 12.009 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.105 4.411 12.499 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.329 4.521 10.765 1.00 0.45 H new ATOM 0 HG SER A 64 -6.922 6.809 11.146 1.00 0.58 H new ATOM 1666 N ASN A 65 -9.412 6.476 13.007 1.00 0.60 N ATOM 1667 CA ASN A 65 -10.022 7.160 14.142 1.00 0.83 C ATOM 1668 C ASN A 65 -11.542 6.987 14.125 1.00 0.89 C ATOM 1669 O ASN A 65 -12.242 7.439 15.031 1.00 1.10 O ATOM 1670 CB ASN A 65 -9.619 8.643 14.179 1.00 0.95 C ATOM 1671 CG ASN A 65 -9.688 9.324 12.823 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -8.712 9.318 12.072 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -10.820 9.935 12.510 1.00 1.44 N ATOM 0 H ASN A 65 -9.616 6.897 12.101 1.00 0.60 H new ATOM 0 HA ASN A 65 -9.647 6.702 15.057 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -10.270 9.171 14.875 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -8.604 8.726 14.567 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -10.906 10.424 11.619 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -11.606 9.917 13.160 1.00 1.44 H new ATOM 1680 N ARG A 66 -12.030 6.309 13.088 1.00 0.79 N ATOM 1681 CA ARG A 66 -13.444 5.950 12.953 1.00 0.98 C ATOM 1682 C ARG A 66 -14.362 7.173 12.945 1.00 1.05 C ATOM 1683 O ARG A 66 -15.285 7.275 13.754 1.00 1.34 O ATOM 1684 CB ARG A 66 -13.885 4.963 14.048 1.00 1.26 C ATOM 1685 CG ARG A 66 -13.402 3.533 13.825 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.942 3.354 14.204 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.245 2.468 13.276 1.00 1.91 N ATOM 1688 CZ ARG A 66 -10.014 1.998 13.467 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -9.388 2.204 14.617 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -9.408 1.315 12.505 1.00 3.45 N ATOM 0 H ARG A 66 -11.452 5.990 12.310 1.00 0.79 H new ATOM 0 HA ARG A 66 -13.539 5.460 11.984 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -13.514 5.315 15.011 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -14.973 4.963 14.106 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -14.014 2.849 14.412 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -13.539 3.264 12.778 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.449 4.326 14.218 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.876 2.948 15.213 1.00 1.25 H new ATOM 0 HE ARG A 66 -11.734 2.191 12.425 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -9.849 2.725 15.362 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -8.445 1.841 14.757 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -9.885 1.150 11.619 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -8.465 0.955 12.651 1.00 3.45 H new ATOM 1704 N ASP A 67 -14.108 8.096 12.025 1.00 0.86 N ATOM 1705 CA ASP A 67 -14.995 9.242 11.826 1.00 1.00 C ATOM 1706 C ASP A 67 -15.678 9.158 10.465 1.00 0.88 C ATOM 1707 O ASP A 67 -16.453 10.040 10.094 1.00 0.94 O ATOM 1708 CB ASP A 67 -14.230 10.563 11.943 1.00 1.13 C ATOM 1709 CG ASP A 67 -14.026 11.000 13.379 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -14.930 11.657 13.943 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.957 10.710 13.954 1.00 2.08 O ATOM 0 H ASP A 67 -13.298 8.076 11.405 1.00 0.86 H new ATOM 0 HA ASP A 67 -15.753 9.214 12.609 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -13.259 10.459 11.459 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -14.773 11.340 11.405 1.00 1.13 H new ATOM 1716 N ASN A 68 -15.371 8.087 9.732 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.961 7.820 8.415 1.00 0.74 C ATOM 1718 C ASN A 68 -15.464 8.812 7.366 1.00 0.65 C ATOM 1719 O ASN A 68 -16.146 9.084 6.376 1.00 0.66 O ATOM 1720 CB ASN A 68 -17.495 7.821 8.480 1.00 0.92 C ATOM 1721 CG ASN A 68 -18.037 6.613 9.221 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -17.438 5.538 9.200 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -19.173 6.777 9.875 1.00 1.75 N ATOM 0 H ASN A 68 -14.704 7.377 10.034 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.636 6.824 8.113 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.836 8.731 8.974 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.900 7.837 7.468 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.584 5.996 10.387 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -19.639 7.684 9.868 1.00 1.75 H new ATOM 1730 N GLU A 69 -14.254 9.317 7.576 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.604 10.206 6.623 1.00 0.63 C ATOM 1732 C GLU A 69 -12.168 9.751 6.404 1.00 0.54 C ATOM 1733 O GLU A 69 -11.293 10.020 7.226 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.610 11.654 7.121 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.996 12.269 7.243 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.943 13.700 7.734 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.779 14.615 6.900 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -15.047 13.916 8.959 1.00 1.65 O ATOM 0 H GLU A 69 -13.698 9.122 8.409 1.00 0.64 H new ATOM 0 HA GLU A 69 -14.158 10.165 5.685 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -13.121 11.693 8.094 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -13.014 12.262 6.441 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.493 12.237 6.273 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.598 11.673 7.929 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.924 9.056 5.304 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.609 8.491 5.050 1.00 0.31 C ATOM 1747 C VAL A 70 -9.623 9.559 4.617 1.00 0.33 C ATOM 1748 O VAL A 70 -9.724 10.128 3.527 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.654 7.363 4.000 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.256 6.940 3.573 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.410 6.173 4.550 1.00 0.29 C ATOM 0 H VAL A 70 -12.615 8.871 4.577 1.00 0.40 H new ATOM 0 HA VAL A 70 -10.271 8.061 5.993 1.00 0.31 H new ATOM 0 HB VAL A 70 -11.170 7.746 3.120 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.327 6.143 2.832 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.734 7.793 3.139 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.704 6.580 4.441 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.437 5.381 3.801 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.910 5.807 5.447 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.428 6.472 4.798 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.696 9.841 5.513 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.564 10.698 5.222 1.00 0.40 C ATOM 1763 C ASP A 71 -6.546 9.911 4.394 1.00 0.32 C ATOM 1764 O ASP A 71 -6.748 8.725 4.137 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.948 11.179 6.542 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.860 12.210 6.348 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -6.195 13.382 6.090 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.673 11.851 6.471 1.00 1.22 O ATOM 0 H ASP A 71 -8.708 9.480 6.467 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.879 11.570 4.649 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.733 11.601 7.170 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.538 10.323 7.078 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.464 10.557 3.988 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.448 9.913 3.168 1.00 0.36 C ATOM 1775 C PHE A 72 -3.981 8.597 3.790 1.00 0.30 C ATOM 1776 O PHE A 72 -3.951 7.557 3.131 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.249 10.837 2.979 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.283 10.287 1.983 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -1.521 9.179 2.293 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -2.173 10.844 0.726 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -0.670 8.632 1.377 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -1.310 10.306 -0.199 1.00 1.46 C ATOM 1783 CZ PHE A 72 -0.556 9.193 0.130 1.00 0.78 C ATOM 0 H PHE A 72 -5.266 11.532 4.214 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.899 9.699 2.199 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.593 11.818 2.650 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.745 10.980 3.935 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -1.599 8.738 3.276 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -2.768 11.707 0.467 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -0.087 7.759 1.633 1.00 1.29 H new ATOM 0 HE2 PHE A 72 -1.221 10.750 -1.179 1.00 1.46 H new ATOM 0 HZ PHE A 72 0.122 8.766 -0.594 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.611 8.648 5.054 1.00 0.30 N ATOM 1794 CA GLN A 73 -3.010 7.506 5.723 1.00 0.41 C ATOM 1795 C GLN A 73 -3.987 6.347 5.870 1.00 0.38 C ATOM 1796 O GLN A 73 -3.571 5.194 5.933 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.457 7.905 7.089 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.364 8.956 7.008 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.596 9.114 8.304 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -0.467 8.032 9.056 1.00 1.20 O flip ATOM 1801 NE2 GLN A 73 -0.114 10.199 8.624 1.00 1.48 N flip ATOM 0 H GLN A 73 -3.716 9.473 5.644 1.00 0.30 H new ATOM 0 HA GLN A 73 -2.188 7.167 5.093 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.271 8.284 7.707 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.064 7.019 7.588 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -0.670 8.689 6.211 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -1.808 9.914 6.736 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -0.235 11.010 8.017 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.407 10.288 9.496 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.282 6.629 5.893 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.259 5.562 6.020 1.00 0.37 C ATOM 1812 C GLU A 74 -6.390 4.877 4.668 1.00 0.32 C ATOM 1813 O GLU A 74 -6.900 3.766 4.547 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.620 6.106 6.469 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.558 7.465 7.151 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.788 7.467 8.454 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -7.367 7.091 9.488 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.618 7.897 8.459 1.00 1.16 O ATOM 0 H GLU A 74 -5.673 7.569 5.827 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.925 4.853 6.778 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -8.274 6.178 5.600 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -8.077 5.390 7.153 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -7.100 8.181 6.469 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.574 7.811 7.341 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.887 5.565 3.657 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.951 5.100 2.287 1.00 0.25 C ATOM 1827 C TYR A 75 -4.718 4.257 1.941 1.00 0.24 C ATOM 1828 O TYR A 75 -4.814 3.290 1.184 1.00 0.28 O ATOM 1829 CB TYR A 75 -6.070 6.312 1.362 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.423 5.988 -0.068 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.521 5.340 -0.898 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.659 6.347 -0.585 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.838 5.051 -2.208 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.985 6.061 -1.898 1.00 1.17 C ATOM 1835 CZ TYR A 75 -7.068 5.410 -2.705 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.379 5.123 -4.013 1.00 0.47 O ATOM 0 H TYR A 75 -5.421 6.466 3.767 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.824 4.461 2.156 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.827 6.985 1.764 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.124 6.854 1.374 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.553 5.057 -0.511 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.374 6.855 0.045 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -5.124 4.545 -2.840 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.950 6.344 -2.292 1.00 1.17 H new ATOM 0 HH TYR A 75 -7.199 5.908 -4.572 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.557 4.609 2.500 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.344 3.823 2.260 1.00 0.21 C ATOM 1848 C CYS A 76 -2.530 2.426 2.817 1.00 0.15 C ATOM 1849 O CYS A 76 -2.135 1.430 2.205 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.102 4.471 2.896 1.00 0.27 C ATOM 1851 SG CYS A 76 -1.053 4.445 4.703 1.00 1.65 S ATOM 0 H CYS A 76 -3.431 5.417 3.110 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.181 3.782 1.183 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.215 3.963 2.518 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -1.043 5.507 2.563 1.00 0.27 H new ATOM 0 HG CYS A 76 -2.266 4.434 5.170 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.162 2.364 3.976 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.391 1.109 4.648 1.00 0.17 C ATOM 1859 C VAL A 77 -4.598 0.396 4.073 1.00 0.17 C ATOM 1860 O VAL A 77 -4.771 -0.797 4.292 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.532 1.304 6.164 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.223 1.818 6.717 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.658 2.267 6.510 1.00 0.19 C ATOM 0 H VAL A 77 -3.526 3.179 4.470 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.518 0.479 4.478 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.780 0.342 6.612 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.314 1.960 7.794 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.433 1.096 6.511 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.977 2.769 6.245 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.723 2.377 7.593 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.457 3.239 6.058 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.601 1.877 6.127 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.428 1.126 3.333 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.472 0.513 2.539 1.00 0.22 C ATOM 1875 C PHE A 78 -5.838 -0.517 1.631 1.00 0.19 C ATOM 1876 O PHE A 78 -5.928 -1.713 1.873 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.200 1.593 1.712 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.312 1.109 0.826 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.312 0.272 1.292 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.348 1.522 -0.492 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.328 -0.144 0.450 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -9.353 1.115 -1.334 1.00 1.21 C ATOM 1883 CZ PHE A 78 -10.346 0.280 -0.865 1.00 0.22 C ATOM 0 H PHE A 78 -5.392 2.143 3.271 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.205 0.028 3.184 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.607 2.335 2.399 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.464 2.104 1.091 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.299 -0.058 2.320 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.573 2.175 -0.866 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -11.104 -0.798 0.819 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -9.366 1.448 -2.361 1.00 1.21 H new ATOM 0 HZ PHE A 78 -11.137 -0.042 -1.526 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.102 -0.028 0.659 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.575 -0.859 -0.402 1.00 0.19 C ATOM 1895 C LEU A 79 -3.515 -1.832 0.065 1.00 0.16 C ATOM 1896 O LEU A 79 -3.548 -3.002 -0.289 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.036 0.029 -1.500 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.131 0.813 -2.191 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.577 1.608 -3.353 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.223 -0.146 -2.626 1.00 0.16 C ATOM 0 H LEU A 79 -4.851 0.958 0.581 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.395 -1.472 -0.775 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.306 0.721 -1.080 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.510 -0.582 -2.234 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.559 1.537 -1.498 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.384 2.162 -3.832 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.823 2.306 -2.990 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.124 0.929 -4.075 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -7.017 0.409 -3.125 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.808 -0.883 -3.314 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.630 -0.655 -1.752 1.00 0.16 H new ATOM 1912 N SER A 80 -2.588 -1.376 0.864 1.00 0.15 N ATOM 1913 CA SER A 80 -1.503 -2.236 1.278 1.00 0.15 C ATOM 1914 C SER A 80 -2.048 -3.426 2.063 1.00 0.15 C ATOM 1915 O SER A 80 -1.522 -4.533 1.991 1.00 0.18 O ATOM 1916 CB SER A 80 -0.509 -1.435 2.089 1.00 0.17 C ATOM 1917 OG SER A 80 -0.135 -0.265 1.387 1.00 0.23 O ATOM 0 H SER A 80 -2.558 -0.428 1.239 1.00 0.15 H new ATOM 0 HA SER A 80 -0.987 -2.631 0.403 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.946 -1.167 3.051 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.373 -2.040 2.297 1.00 0.17 H new ATOM 0 HG SER A 80 -0.846 0.405 1.465 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.131 -3.201 2.783 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.794 -4.275 3.493 1.00 0.15 C ATOM 1925 C CYS A 81 -4.707 -5.073 2.568 1.00 0.14 C ATOM 1926 O CYS A 81 -5.072 -6.204 2.881 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.548 -3.724 4.690 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.447 -3.035 5.945 1.00 0.22 S ATOM 0 H CYS A 81 -3.568 -2.286 2.891 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.036 -4.967 3.860 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.240 -2.951 4.355 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.148 -4.518 5.134 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.455 -2.427 5.365 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.058 -4.503 1.419 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.843 -5.246 0.445 1.00 0.14 C ATOM 1936 C ILE A 82 -4.916 -6.126 -0.384 1.00 0.17 C ATOM 1937 O ILE A 82 -5.376 -7.038 -1.038 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.708 -4.368 -0.496 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.513 -3.354 0.291 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.685 -5.233 -1.282 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.465 -2.564 -0.569 1.00 0.18 C ATOM 0 H ILE A 82 -4.817 -3.550 1.145 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.549 -5.844 1.021 1.00 0.14 H new ATOM 0 HB ILE A 82 -6.026 -3.853 -1.173 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.077 -3.870 1.068 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.831 -2.668 0.794 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.284 -4.601 -1.937 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.131 -5.955 -1.881 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.340 -5.763 -0.590 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -9.013 -1.855 0.051 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.904 -2.022 -1.330 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -9.168 -3.243 -1.051 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.610 -5.838 -0.399 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.647 -6.831 -0.867 1.00 0.23 C ATOM 1955 C ALA A 83 -2.750 -8.089 -0.035 1.00 0.20 C ATOM 1956 O ALA A 83 -2.974 -9.181 -0.554 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.246 -6.313 -0.759 1.00 0.30 C ATOM 0 H ALA A 83 -3.207 -4.950 -0.101 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.877 -7.045 -1.911 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.549 -7.072 -1.114 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.143 -5.414 -1.366 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.025 -6.076 0.282 1.00 0.30 H new ATOM 1963 N MET A 84 -2.562 -7.917 1.266 1.00 0.22 N ATOM 1964 CA MET A 84 -2.698 -9.016 2.212 1.00 0.25 C ATOM 1965 C MET A 84 -4.060 -9.674 2.058 1.00 0.24 C ATOM 1966 O MET A 84 -4.187 -10.897 2.110 1.00 0.28 O ATOM 1967 CB MET A 84 -2.521 -8.524 3.648 1.00 0.30 C ATOM 1968 CG MET A 84 -1.102 -8.099 3.974 1.00 0.34 C ATOM 1969 SD MET A 84 -0.928 -7.544 5.679 1.00 0.36 S ATOM 1970 CE MET A 84 -1.956 -6.079 5.659 1.00 0.20 C ATOM 0 H MET A 84 -2.314 -7.024 1.692 1.00 0.22 H new ATOM 0 HA MET A 84 -1.918 -9.747 1.998 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.192 -7.682 3.820 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.821 -9.316 4.334 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.425 -8.934 3.795 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.802 -7.296 3.301 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.952 -5.618 6.647 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.567 -5.371 4.927 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.976 -6.354 5.391 1.00 0.20 H new ATOM 1980 N MET A 85 -5.071 -8.848 1.847 1.00 0.25 N ATOM 1981 CA MET A 85 -6.423 -9.328 1.637 1.00 0.36 C ATOM 1982 C MET A 85 -6.554 -10.014 0.266 1.00 0.33 C ATOM 1983 O MET A 85 -7.259 -11.013 0.127 1.00 0.43 O ATOM 1984 CB MET A 85 -7.415 -8.167 1.778 1.00 0.62 C ATOM 1985 CG MET A 85 -8.860 -8.617 1.753 1.00 0.77 C ATOM 1986 SD MET A 85 -9.659 -8.288 0.175 1.00 0.67 S ATOM 1987 CE MET A 85 -10.306 -6.647 0.486 1.00 0.30 C ATOM 0 H MET A 85 -4.977 -7.833 1.817 1.00 0.25 H new ATOM 0 HA MET A 85 -6.656 -10.074 2.397 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.220 -7.641 2.713 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.248 -7.454 0.971 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.908 -9.685 1.965 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.409 -8.110 2.547 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.710 -6.234 -0.438 1.00 0.30 H new ATOM 0 HE2 MET A 85 -11.097 -6.703 1.234 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.506 -6.004 0.852 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.855 -9.481 -0.738 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.825 -10.064 -2.077 1.00 0.43 C ATOM 1999 C CYS A 86 -5.149 -11.431 -2.068 1.00 0.43 C ATOM 2000 O CYS A 86 -5.299 -12.204 -3.007 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.095 -9.125 -3.046 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.066 -9.675 -4.769 1.00 0.57 S ATOM 0 H CYS A 86 -5.295 -8.634 -0.644 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.854 -10.196 -2.410 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.567 -8.144 -3.002 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.068 -9.001 -2.703 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.148 -10.972 -4.812 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.401 -11.732 -1.010 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.783 -13.050 -0.877 1.00 0.44 C ATOM 2010 C ASN A 87 -4.865 -14.113 -0.706 1.00 0.47 C ATOM 2011 O ASN A 87 -4.662 -15.290 -1.008 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.815 -13.084 0.308 1.00 0.54 C ATOM 2013 CG ASN A 87 -2.013 -14.371 0.372 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.733 -14.999 -0.651 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -1.621 -14.768 1.571 1.00 1.23 N ATOM 0 H ASN A 87 -4.209 -11.091 -0.240 1.00 0.36 H new ATOM 0 HA ASN A 87 -3.214 -13.259 -1.783 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -2.131 -12.238 0.238 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -3.377 -12.964 1.234 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -1.068 -15.619 1.671 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -1.871 -14.223 2.396 1.00 1.23 H new ATOM 2022 N GLU A 88 -6.028 -13.685 -0.232 1.00 0.56 N ATOM 2023 CA GLU A 88 -7.175 -14.569 -0.125 1.00 0.70 C ATOM 2024 C GLU A 88 -7.740 -14.815 -1.521 1.00 0.73 C ATOM 2025 O GLU A 88 -8.155 -15.926 -1.860 1.00 0.82 O ATOM 2026 CB GLU A 88 -8.242 -13.949 0.775 1.00 0.96 C ATOM 2027 CG GLU A 88 -9.167 -14.970 1.407 1.00 1.81 C ATOM 2028 CD GLU A 88 -8.486 -15.763 2.503 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -7.506 -16.483 2.209 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -8.930 -15.672 3.667 1.00 2.78 O ATOM 0 H GLU A 88 -6.199 -12.730 0.084 1.00 0.56 H new ATOM 0 HA GLU A 88 -6.866 -15.516 0.318 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -7.753 -13.376 1.563 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -8.835 -13.246 0.191 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -10.039 -14.461 1.818 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -9.529 -15.653 0.639 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.720 -0.592 -17.774 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.141 -1.627 -16.858 1.00 0.30 C ATOM 2287 C ALA B 2 -4.953 -0.984 -15.755 1.00 0.27 C ATOM 2288 O ALA B 2 -4.698 0.171 -15.424 1.00 0.36 O ATOM 2289 CB ALA B 2 -2.930 -2.352 -16.288 1.00 0.30 C ATOM 0 HA ALA B 2 -4.751 -2.365 -17.379 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.262 -3.129 -15.599 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.362 -2.805 -17.100 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.298 -1.641 -15.756 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.939 -1.706 -15.223 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.760 -1.203 -14.127 1.00 0.23 C ATOM 2297 C CYS B 3 -5.867 -0.721 -12.993 1.00 0.17 C ATOM 2298 O CYS B 3 -5.322 -1.522 -12.236 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.713 -2.292 -13.633 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.806 -2.948 -14.916 1.00 0.39 S ATOM 0 H CYS B 3 -6.188 -2.644 -15.536 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.356 -0.364 -14.486 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.128 -3.111 -13.215 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.321 -1.889 -12.823 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.573 -3.865 -14.405 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.705 0.602 -12.882 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.688 1.221 -12.027 1.00 0.13 C ATOM 2308 C PRO B 4 -4.756 0.758 -10.583 1.00 0.12 C ATOM 2309 O PRO B 4 -3.818 0.145 -10.070 1.00 0.12 O ATOM 2310 CB PRO B 4 -5.022 2.708 -12.123 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.681 2.852 -13.444 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.513 1.617 -13.588 1.00 0.20 C ATOM 0 HA PRO B 4 -3.679 0.961 -12.348 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.682 3.020 -11.313 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.124 3.322 -12.058 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.296 3.751 -13.484 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.947 2.931 -14.246 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.498 1.737 -13.137 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.671 1.354 -14.634 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.878 1.024 -9.937 1.00 0.13 N ATOM 2321 CA LEU B 5 -6.039 0.681 -8.538 1.00 0.14 C ATOM 2322 C LEU B 5 -6.091 -0.836 -8.360 1.00 0.16 C ATOM 2323 O LEU B 5 -5.583 -1.363 -7.375 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.306 1.336 -7.980 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.205 1.878 -6.552 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -7.037 0.749 -5.567 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -6.053 2.857 -6.419 1.00 0.17 C ATOM 0 H LEU B 5 -6.689 1.476 -10.360 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.180 1.057 -7.983 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.589 2.156 -8.640 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.115 0.606 -8.015 1.00 0.15 H new ATOM 0 HG LEU B 5 -8.133 2.406 -6.331 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.967 1.154 -4.558 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.895 0.080 -5.631 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -6.127 0.196 -5.800 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -6.005 3.226 -5.394 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -5.118 2.355 -6.668 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.207 3.695 -7.099 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.670 -1.538 -9.329 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.803 -2.987 -9.229 1.00 0.20 C ATOM 2341 C GLU B 6 -5.438 -3.662 -9.294 1.00 0.18 C ATOM 2342 O GLU B 6 -5.150 -4.577 -8.518 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.716 -3.539 -10.326 1.00 0.29 C ATOM 2344 CG GLU B 6 -8.026 -5.018 -10.156 1.00 0.43 C ATOM 2345 CD GLU B 6 -9.108 -5.511 -11.091 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -8.793 -5.847 -12.251 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -10.282 -5.590 -10.664 1.00 1.79 O ATOM 0 H GLU B 6 -7.051 -1.132 -10.184 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.258 -3.208 -8.264 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.650 -2.976 -10.331 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.244 -3.382 -11.296 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -7.117 -5.595 -10.326 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.333 -5.202 -9.126 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.590 -3.198 -10.207 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.257 -3.754 -10.349 1.00 0.18 C ATOM 2356 C LYS B 7 -2.434 -3.496 -9.097 1.00 0.17 C ATOM 2357 O LYS B 7 -1.581 -4.295 -8.751 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.547 -3.203 -11.602 1.00 0.25 C ATOM 2359 CG LYS B 7 -3.139 -3.710 -12.911 1.00 0.41 C ATOM 2360 CD LYS B 7 -3.070 -5.228 -13.037 1.00 0.90 C ATOM 2361 CE LYS B 7 -1.637 -5.728 -13.140 1.00 0.84 C ATOM 2362 NZ LYS B 7 -1.576 -7.210 -13.220 1.00 1.18 N ATOM 0 H LYS B 7 -4.805 -2.441 -10.856 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.356 -4.832 -10.478 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.597 -2.114 -11.588 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.492 -3.475 -11.561 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -4.178 -3.390 -12.983 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.607 -3.255 -13.746 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -3.552 -5.686 -12.173 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -3.628 -5.544 -13.918 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -1.164 -5.296 -14.022 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -1.069 -5.387 -12.274 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -0.586 -7.512 -13.323 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -1.975 -7.621 -12.352 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -2.125 -7.536 -14.041 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.722 -2.402 -8.402 1.00 0.17 N ATOM 2377 CA ALA B 8 -2.021 -2.070 -7.164 1.00 0.17 C ATOM 2378 C ALA B 8 -2.022 -3.241 -6.177 1.00 0.17 C ATOM 2379 O ALA B 8 -0.967 -3.637 -5.687 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.632 -0.835 -6.519 1.00 0.18 C ATOM 0 H ALA B 8 -3.437 -1.728 -8.674 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.984 -1.858 -7.424 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.097 -0.603 -5.598 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.557 0.009 -7.205 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.681 -1.025 -6.291 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.196 -3.806 -5.901 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.287 -4.928 -4.961 1.00 0.12 C ATOM 2388 C LEU B 9 -2.765 -6.200 -5.612 1.00 0.14 C ATOM 2389 O LEU B 9 -2.086 -7.007 -4.977 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.728 -5.171 -4.467 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.445 -3.967 -3.849 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.513 -3.214 -2.939 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -6.012 -3.037 -4.904 1.00 0.13 C ATOM 0 H LEU B 9 -4.085 -3.514 -6.306 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.677 -4.664 -4.097 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.322 -5.529 -5.308 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.706 -5.972 -3.728 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.283 -4.352 -3.268 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -5.036 -2.361 -2.507 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -4.173 -3.873 -2.140 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.654 -2.861 -3.509 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.511 -2.198 -4.419 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.203 -2.664 -5.533 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.730 -3.580 -5.520 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.090 -6.362 -6.887 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.682 -7.532 -7.652 1.00 0.16 C ATOM 2407 C ASP B 10 -1.165 -7.681 -7.674 1.00 0.15 C ATOM 2408 O ASP B 10 -0.630 -8.746 -7.369 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.218 -7.425 -9.082 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.679 -8.501 -10.004 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.230 -9.624 -10.005 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -1.716 -8.223 -10.749 1.00 1.19 O ATOM 0 H ASP B 10 -3.642 -5.689 -7.419 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.098 -8.416 -7.169 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.306 -7.486 -9.061 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.961 -6.446 -9.487 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.476 -6.599 -8.002 1.00 0.15 N ATOM 2418 CA VAL B 11 0.964 -6.641 -8.179 1.00 0.16 C ATOM 2419 C VAL B 11 1.701 -6.779 -6.855 1.00 0.16 C ATOM 2420 O VAL B 11 2.841 -7.221 -6.836 1.00 0.20 O ATOM 2421 CB VAL B 11 1.497 -5.407 -8.928 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.768 -5.238 -10.250 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.378 -4.154 -8.073 1.00 0.17 C ATOM 0 H VAL B 11 -0.893 -5.680 -8.151 1.00 0.15 H new ATOM 0 HA VAL B 11 1.157 -7.527 -8.784 1.00 0.16 H new ATOM 0 HB VAL B 11 2.555 -5.562 -9.137 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.155 -4.361 -10.769 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.923 -6.123 -10.867 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.298 -5.108 -10.064 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.762 -3.298 -8.627 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.331 -3.984 -7.821 1.00 0.17 H new ATOM 0 HG23 VAL B 11 1.955 -4.282 -7.157 1.00 0.17 H new ATOM 2433 N MET B 12 1.067 -6.407 -5.749 1.00 0.16 N ATOM 2434 CA MET B 12 1.704 -6.567 -4.448 1.00 0.20 C ATOM 2435 C MET B 12 2.016 -8.034 -4.203 1.00 0.23 C ATOM 2436 O MET B 12 3.149 -8.393 -3.901 1.00 0.39 O ATOM 2437 CB MET B 12 0.835 -6.036 -3.314 1.00 0.27 C ATOM 2438 CG MET B 12 0.662 -4.527 -3.309 1.00 0.16 C ATOM 2439 SD MET B 12 0.197 -3.912 -1.688 1.00 0.78 S ATOM 2440 CE MET B 12 -0.073 -2.198 -2.033 1.00 0.19 C ATOM 0 H MET B 12 0.132 -6.001 -5.725 1.00 0.16 H new ATOM 0 HA MET B 12 2.625 -5.984 -4.462 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.148 -6.502 -3.378 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.272 -6.342 -2.364 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.592 -4.054 -3.624 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.100 -4.247 -4.036 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.630 -1.596 -1.457 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.077 -2.013 -3.097 1.00 0.19 H new ATOM 0 HE3 MET B 12 -1.092 -1.928 -1.758 1.00 0.19 H new ATOM 2450 N VAL B 13 1.014 -8.883 -4.376 1.00 0.18 N ATOM 2451 CA VAL B 13 1.191 -10.308 -4.153 1.00 0.19 C ATOM 2452 C VAL B 13 1.776 -10.998 -5.388 1.00 0.19 C ATOM 2453 O VAL B 13 2.335 -12.089 -5.289 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.127 -11.000 -3.741 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.621 -10.429 -2.428 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.196 -10.861 -4.814 1.00 0.22 C ATOM 0 H VAL B 13 0.075 -8.611 -4.668 1.00 0.18 H new ATOM 0 HA VAL B 13 1.897 -10.405 -3.328 1.00 0.19 H new ATOM 0 HB VAL B 13 0.077 -12.064 -3.619 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.551 -10.922 -2.144 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.129 -10.595 -1.654 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.797 -9.359 -2.540 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.108 -11.361 -4.486 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.403 -9.805 -4.986 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.844 -11.318 -5.739 1.00 0.22 H new ATOM 2466 N SER B 14 1.655 -10.354 -6.544 1.00 0.18 N ATOM 2467 CA SER B 14 2.192 -10.901 -7.784 1.00 0.21 C ATOM 2468 C SER B 14 3.705 -10.692 -7.848 1.00 0.23 C ATOM 2469 O SER B 14 4.468 -11.647 -8.018 1.00 0.26 O ATOM 2470 CB SER B 14 1.510 -10.246 -8.990 1.00 0.23 C ATOM 2471 OG SER B 14 1.853 -10.900 -10.200 1.00 1.12 O ATOM 0 H SER B 14 1.190 -9.452 -6.648 1.00 0.18 H new ATOM 0 HA SER B 14 1.991 -11.972 -7.809 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.429 -10.271 -8.856 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.800 -9.197 -9.048 1.00 0.23 H new ATOM 0 HG SER B 14 1.401 -10.460 -10.950 1.00 1.12 H new ATOM 2477 N THR B 15 4.134 -9.443 -7.691 1.00 0.24 N ATOM 2478 CA THR B 15 5.553 -9.100 -7.691 1.00 0.26 C ATOM 2479 C THR B 15 6.241 -9.749 -6.492 1.00 0.28 C ATOM 2480 O THR B 15 7.443 -10.017 -6.511 1.00 0.31 O ATOM 2481 CB THR B 15 5.733 -7.567 -7.646 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.809 -6.958 -8.554 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.148 -7.145 -8.021 1.00 0.25 C ATOM 0 H THR B 15 3.513 -8.645 -7.561 1.00 0.24 H new ATOM 0 HA THR B 15 6.009 -9.475 -8.608 1.00 0.26 H new ATOM 0 HB THR B 15 5.545 -7.241 -6.623 1.00 0.27 H new ATOM 0 HG1 THR B 15 3.949 -6.821 -8.103 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.228 -6.059 -7.976 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.857 -7.590 -7.324 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.373 -7.483 -9.033 1.00 0.25 H new ATOM 2491 N PHE B 16 5.440 -10.016 -5.462 1.00 0.30 N ATOM 2492 CA PHE B 16 5.886 -10.716 -4.264 1.00 0.36 C ATOM 2493 C PHE B 16 6.657 -11.985 -4.624 1.00 0.40 C ATOM 2494 O PHE B 16 7.877 -12.046 -4.477 1.00 0.51 O ATOM 2495 CB PHE B 16 4.666 -11.094 -3.427 1.00 0.44 C ATOM 2496 CG PHE B 16 4.821 -10.853 -1.958 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.824 -11.474 -1.238 1.00 1.27 C ATOM 2498 CD2 PHE B 16 3.949 -10.011 -1.296 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.955 -11.252 0.116 1.00 1.42 C ATOM 2500 CE2 PHE B 16 4.078 -9.787 0.058 1.00 1.38 C ATOM 2501 CZ PHE B 16 5.083 -10.408 0.766 1.00 0.97 C ATOM 0 H PHE B 16 4.456 -9.749 -5.438 1.00 0.30 H new ATOM 0 HA PHE B 16 6.548 -10.057 -3.702 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.806 -10.529 -3.786 1.00 0.44 H new ATOM 0 HB3 PHE B 16 4.444 -12.149 -3.588 1.00 0.44 H new ATOM 0 HD1 PHE B 16 6.511 -12.139 -1.741 1.00 1.27 H new ATOM 0 HD2 PHE B 16 3.157 -9.523 -1.845 1.00 1.21 H new ATOM 0 HE1 PHE B 16 6.744 -11.741 0.668 1.00 1.42 H new ATOM 0 HE2 PHE B 16 3.391 -9.125 0.564 1.00 1.38 H new ATOM 0 HZ PHE B 16 5.187 -10.234 1.827 1.00 0.97 H new ATOM 2511 N HIS B 17 5.931 -12.979 -5.138 1.00 0.41 N ATOM 2512 CA HIS B 17 6.516 -14.282 -5.473 1.00 0.51 C ATOM 2513 C HIS B 17 7.450 -14.175 -6.674 1.00 0.45 C ATOM 2514 O HIS B 17 8.227 -15.086 -6.953 1.00 0.51 O ATOM 2515 CB HIS B 17 5.417 -15.328 -5.737 1.00 0.68 C ATOM 2516 CG HIS B 17 4.488 -15.003 -6.871 1.00 1.09 C ATOM 2517 ND1 HIS B 17 4.785 -15.246 -8.197 1.00 2.16 N ATOM 2518 CD2 HIS B 17 3.246 -14.472 -6.861 1.00 1.26 C ATOM 2519 CE1 HIS B 17 3.766 -14.876 -8.948 1.00 2.82 C ATOM 2520 NE2 HIS B 17 2.819 -14.404 -8.160 1.00 2.30 N ATOM 0 H HIS B 17 4.932 -12.908 -5.333 1.00 0.41 H new ATOM 0 HA HIS B 17 7.103 -14.610 -4.615 1.00 0.51 H new ATOM 0 HB2 HIS B 17 5.892 -16.288 -5.940 1.00 0.68 H new ATOM 0 HB3 HIS B 17 4.827 -15.450 -4.828 1.00 0.68 H new ATOM 0 HD2 HIS B 17 2.692 -14.159 -5.989 1.00 1.26 H new ATOM 0 HE1 HIS B 17 3.715 -14.947 -10.024 1.00 2.82 H new ATOM 0 HE2 HIS B 17 1.915 -14.046 -8.469 1.00 2.30 H new ATOM 2529 N LYS B 18 7.363 -13.055 -7.370 1.00 0.42 N ATOM 2530 CA LYS B 18 8.157 -12.814 -8.562 1.00 0.46 C ATOM 2531 C LYS B 18 9.642 -12.670 -8.213 1.00 0.45 C ATOM 2532 O LYS B 18 10.510 -12.996 -9.024 1.00 0.62 O ATOM 2533 CB LYS B 18 7.634 -11.553 -9.253 1.00 0.55 C ATOM 2534 CG LYS B 18 8.326 -11.193 -10.555 1.00 0.76 C ATOM 2535 CD LYS B 18 7.742 -9.909 -11.123 1.00 0.71 C ATOM 2536 CE LYS B 18 8.475 -9.451 -12.369 1.00 1.40 C ATOM 2537 NZ LYS B 18 7.947 -8.155 -12.869 1.00 1.67 N ATOM 0 H LYS B 18 6.739 -12.286 -7.124 1.00 0.42 H new ATOM 0 HA LYS B 18 8.066 -13.665 -9.237 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.570 -11.681 -9.450 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.732 -10.714 -8.564 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.396 -11.070 -10.385 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.208 -12.004 -11.274 1.00 0.76 H new ATOM 0 HD2 LYS B 18 6.689 -10.063 -11.359 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.788 -9.125 -10.367 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.538 -9.351 -12.150 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.379 -10.208 -13.147 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.387 -7.931 -13.784 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 6.916 -8.223 -12.988 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.168 -7.403 -12.185 1.00 1.67 H new ATOM 2551 N TYR B 19 9.925 -12.198 -7.003 1.00 0.39 N ATOM 2552 CA TYR B 19 11.307 -11.997 -6.566 1.00 0.43 C ATOM 2553 C TYR B 19 11.634 -12.820 -5.328 1.00 0.50 C ATOM 2554 O TYR B 19 12.636 -13.513 -5.311 1.00 0.74 O ATOM 2555 CB TYR B 19 11.581 -10.513 -6.292 1.00 0.46 C ATOM 2556 CG TYR B 19 11.445 -9.631 -7.515 1.00 0.41 C ATOM 2557 CD1 TYR B 19 10.203 -9.165 -7.919 1.00 1.17 C ATOM 2558 CD2 TYR B 19 12.554 -9.271 -8.269 1.00 1.17 C ATOM 2559 CE1 TYR B 19 10.068 -8.367 -9.035 1.00 1.17 C ATOM 2560 CE2 TYR B 19 12.424 -8.472 -9.394 1.00 1.21 C ATOM 2561 CZ TYR B 19 11.175 -8.023 -9.769 1.00 0.50 C ATOM 2562 OH TYR B 19 11.030 -7.235 -10.890 1.00 0.61 O ATOM 0 H TYR B 19 9.221 -11.948 -6.309 1.00 0.39 H new ATOM 0 HA TYR B 19 11.952 -12.336 -7.377 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.892 -10.162 -5.524 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.588 -10.407 -5.889 1.00 0.46 H new ATOM 0 HD1 TYR B 19 9.325 -9.432 -7.349 1.00 1.17 H new ATOM 0 HD2 TYR B 19 13.533 -9.619 -7.974 1.00 1.17 H new ATOM 0 HE1 TYR B 19 9.092 -8.013 -9.331 1.00 1.17 H new ATOM 0 HE2 TYR B 19 13.295 -8.203 -9.973 1.00 1.21 H new ATOM 0 HH TYR B 19 10.113 -6.891 -10.932 1.00 0.61 H new ATOM 2572 N SER B 20 10.776 -12.766 -4.314 1.00 0.41 N ATOM 2573 CA SER B 20 11.065 -13.392 -3.018 1.00 0.48 C ATOM 2574 C SER B 20 11.394 -14.880 -3.152 1.00 0.57 C ATOM 2575 O SER B 20 12.247 -15.407 -2.432 1.00 0.70 O ATOM 2576 CB SER B 20 9.880 -13.208 -2.077 1.00 0.49 C ATOM 2577 OG SER B 20 8.688 -13.692 -2.661 1.00 0.53 O ATOM 0 H SER B 20 9.872 -12.296 -4.360 1.00 0.41 H new ATOM 0 HA SER B 20 11.946 -12.898 -2.608 1.00 0.48 H new ATOM 0 HB2 SER B 20 10.070 -13.733 -1.141 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.766 -12.152 -1.832 1.00 0.49 H new ATOM 0 HG SER B 20 8.443 -13.125 -3.422 1.00 0.53 H new ATOM 2583 N GLY B 21 10.723 -15.549 -4.088 1.00 0.57 N ATOM 2584 CA GLY B 21 10.935 -16.970 -4.287 1.00 0.68 C ATOM 2585 C GLY B 21 12.264 -17.295 -4.951 1.00 0.71 C ATOM 2586 O GLY B 21 12.528 -18.453 -5.282 1.00 0.86 O ATOM 0 H GLY B 21 10.035 -15.129 -4.713 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.886 -17.476 -3.323 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.125 -17.369 -4.898 1.00 0.68 H new ATOM 2688 N LYS B 28 8.489 -14.171 1.266 1.00 0.69 N ATOM 2689 CA LYS B 28 9.510 -13.622 2.142 1.00 0.68 C ATOM 2690 C LYS B 28 10.643 -13.011 1.325 1.00 0.50 C ATOM 2691 O LYS B 28 11.324 -13.712 0.580 1.00 0.54 O ATOM 2692 CB LYS B 28 10.064 -14.723 3.046 1.00 0.92 C ATOM 2693 CG LYS B 28 10.870 -14.200 4.220 1.00 0.93 C ATOM 2694 CD LYS B 28 9.964 -13.718 5.344 1.00 0.98 C ATOM 2695 CE LYS B 28 9.226 -14.882 5.990 1.00 1.51 C ATOM 2696 NZ LYS B 28 8.462 -14.461 7.195 1.00 1.98 N ATOM 0 HA LYS B 28 9.059 -12.841 2.755 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.235 -15.322 3.424 1.00 0.92 H new ATOM 0 HB3 LYS B 28 10.692 -15.387 2.452 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.527 -14.987 4.592 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.509 -13.381 3.889 1.00 0.93 H new ATOM 0 HD2 LYS B 28 10.557 -13.197 6.096 1.00 0.98 H new ATOM 0 HD3 LYS B 28 9.244 -12.999 4.952 1.00 0.98 H new ATOM 0 HE2 LYS B 28 8.543 -15.325 5.265 1.00 1.51 H new ATOM 0 HE3 LYS B 28 9.942 -15.656 6.267 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 8.017 -15.293 7.632 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 9.108 -14.016 7.878 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 7.726 -13.780 6.919 1.00 1.98 H new ATOM 2710 N LEU B 29 10.859 -11.712 1.479 1.00 0.38 N ATOM 2711 CA LEU B 29 11.916 -11.034 0.736 1.00 0.32 C ATOM 2712 C LEU B 29 13.036 -10.601 1.658 1.00 0.33 C ATOM 2713 O LEU B 29 12.793 -10.143 2.769 1.00 0.42 O ATOM 2714 CB LEU B 29 11.396 -9.800 -0.007 1.00 0.29 C ATOM 2715 CG LEU B 29 10.397 -10.071 -1.126 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.984 -10.108 -0.577 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.528 -9.027 -2.218 1.00 0.31 C ATOM 0 H LEU B 29 10.323 -11.110 2.105 1.00 0.38 H new ATOM 0 HA LEU B 29 12.289 -11.755 0.008 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.929 -9.133 0.718 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.248 -9.267 -0.428 1.00 0.29 H new ATOM 0 HG LEU B 29 10.617 -11.046 -1.561 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.283 -10.302 -1.389 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.904 -10.899 0.169 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.748 -9.149 -0.116 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.808 -9.235 -3.009 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.334 -8.039 -1.802 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.537 -9.056 -2.629 1.00 0.31 H new ATOM 2729 N ASN B 30 14.257 -10.741 1.187 1.00 0.31 N ATOM 2730 CA ASN B 30 15.411 -10.258 1.922 1.00 0.31 C ATOM 2731 C ASN B 30 15.925 -8.996 1.257 1.00 0.27 C ATOM 2732 O ASN B 30 15.290 -8.483 0.331 1.00 0.26 O ATOM 2733 CB ASN B 30 16.519 -11.311 1.970 1.00 0.35 C ATOM 2734 CG ASN B 30 15.985 -12.686 2.283 1.00 0.58 C ATOM 2735 OD1 ASN B 30 15.814 -13.060 3.442 1.00 1.17 O ATOM 2736 ND2 ASN B 30 15.741 -13.461 1.243 1.00 0.60 N ATOM 0 H ASN B 30 14.478 -11.186 0.296 1.00 0.31 H new ATOM 0 HA ASN B 30 15.110 -10.046 2.948 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.038 -11.334 1.012 1.00 0.35 H new ATOM 0 HB3 ASN B 30 17.254 -11.028 2.724 1.00 0.35 H new ATOM 0 HD21 ASN B 30 15.397 -14.411 1.384 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.897 -13.110 0.298 1.00 0.60 H new ATOM 2743 N LYS B 31 17.056 -8.499 1.734 1.00 0.27 N ATOM 2744 CA LYS B 31 17.672 -7.300 1.177 1.00 0.26 C ATOM 2745 C LYS B 31 17.768 -7.372 -0.350 1.00 0.25 C ATOM 2746 O LYS B 31 17.334 -6.463 -1.052 1.00 0.28 O ATOM 2747 CB LYS B 31 19.073 -7.100 1.758 1.00 0.29 C ATOM 2748 CG LYS B 31 19.091 -6.850 3.253 1.00 0.40 C ATOM 2749 CD LYS B 31 20.514 -6.750 3.773 1.00 0.49 C ATOM 2750 CE LYS B 31 20.550 -6.479 5.268 1.00 1.20 C ATOM 2751 NZ LYS B 31 21.939 -6.476 5.793 1.00 1.72 N ATOM 0 H LYS B 31 17.571 -8.910 2.512 1.00 0.27 H new ATOM 0 HA LYS B 31 17.036 -6.456 1.446 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.675 -7.982 1.540 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.548 -6.258 1.254 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.553 -5.929 3.477 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.569 -7.657 3.766 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.045 -7.677 3.559 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.038 -5.953 3.246 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.081 -5.517 5.475 1.00 1.20 H new ATOM 0 HE3 LYS B 31 19.966 -7.237 5.789 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 21.923 -6.288 6.816 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.378 -7.402 5.618 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.490 -5.736 5.313 1.00 1.72 H new ATOM 2765 N SER B 32 18.320 -8.466 -0.856 1.00 0.25 N ATOM 2766 CA SER B 32 18.559 -8.610 -2.286 1.00 0.27 C ATOM 2767 C SER B 32 17.249 -8.641 -3.068 1.00 0.24 C ATOM 2768 O SER B 32 17.142 -8.036 -4.138 1.00 0.27 O ATOM 2769 CB SER B 32 19.360 -9.884 -2.560 1.00 0.35 C ATOM 2770 OG SER B 32 19.813 -9.921 -3.903 1.00 1.27 O ATOM 0 H SER B 32 18.611 -9.268 -0.297 1.00 0.25 H new ATOM 0 HA SER B 32 19.132 -7.744 -2.619 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.213 -9.934 -1.883 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.741 -10.758 -2.357 1.00 0.35 H new ATOM 0 HG SER B 32 20.324 -10.744 -4.053 1.00 1.27 H new ATOM 2776 N GLU B 33 16.254 -9.323 -2.518 1.00 0.25 N ATOM 2777 CA GLU B 33 14.980 -9.506 -3.199 1.00 0.27 C ATOM 2778 C GLU B 33 14.248 -8.186 -3.323 1.00 0.24 C ATOM 2779 O GLU B 33 13.741 -7.838 -4.391 1.00 0.26 O ATOM 2780 CB GLU B 33 14.120 -10.513 -2.446 1.00 0.34 C ATOM 2781 CG GLU B 33 14.830 -11.829 -2.190 1.00 0.47 C ATOM 2782 CD GLU B 33 15.259 -12.528 -3.466 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.099 -11.976 -4.215 1.00 1.43 O ATOM 2784 OE2 GLU B 33 14.782 -13.648 -3.706 1.00 1.65 O ATOM 0 H GLU B 33 16.305 -9.760 -1.598 1.00 0.25 H new ATOM 0 HA GLU B 33 15.177 -9.889 -4.200 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.815 -10.080 -1.493 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.210 -10.703 -3.016 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.707 -11.648 -1.569 1.00 0.47 H new ATOM 0 HG3 GLU B 33 14.170 -12.488 -1.625 1.00 0.47 H new ATOM 2791 N LEU B 34 14.205 -7.449 -2.224 1.00 0.21 N ATOM 2792 CA LEU B 34 13.598 -6.135 -2.226 1.00 0.21 C ATOM 2793 C LEU B 34 14.361 -5.197 -3.140 1.00 0.20 C ATOM 2794 O LEU B 34 13.757 -4.465 -3.919 1.00 0.24 O ATOM 2795 CB LEU B 34 13.538 -5.565 -0.814 1.00 0.21 C ATOM 2796 CG LEU B 34 12.309 -5.978 -0.016 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.441 -5.525 1.426 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.061 -5.386 -0.654 1.00 0.21 C ATOM 0 H LEU B 34 14.583 -7.741 -1.323 1.00 0.21 H new ATOM 0 HA LEU B 34 12.579 -6.233 -2.601 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.430 -5.879 -0.271 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.568 -4.477 -0.874 1.00 0.21 H new ATOM 0 HG LEU B 34 12.225 -7.065 -0.024 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.555 -5.827 1.985 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.324 -5.982 1.872 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.538 -4.440 1.459 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.183 -5.683 -0.080 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.138 -4.299 -0.663 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.967 -5.751 -1.677 1.00 0.21 H new ATOM 2810 N LYS B 35 15.685 -5.237 -3.061 1.00 0.21 N ATOM 2811 CA LYS B 35 16.511 -4.398 -3.909 1.00 0.26 C ATOM 2812 C LYS B 35 16.167 -4.622 -5.363 1.00 0.22 C ATOM 2813 O LYS B 35 15.868 -3.678 -6.077 1.00 0.24 O ATOM 2814 CB LYS B 35 18.001 -4.655 -3.687 1.00 0.37 C ATOM 2815 CG LYS B 35 18.881 -3.729 -4.510 1.00 0.54 C ATOM 2816 CD LYS B 35 20.308 -3.689 -3.985 1.00 0.68 C ATOM 2817 CE LYS B 35 21.028 -5.002 -4.213 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.390 -4.993 -3.620 1.00 0.95 N ATOM 0 H LYS B 35 16.204 -5.839 -2.421 1.00 0.21 H new ATOM 0 HA LYS B 35 16.305 -3.362 -3.640 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.235 -4.528 -2.630 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.230 -5.690 -3.942 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.885 -4.060 -5.549 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.461 -2.723 -4.498 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.854 -2.885 -4.478 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.297 -3.461 -2.919 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.447 -5.816 -3.778 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.098 -5.197 -5.283 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.851 -5.908 -3.796 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.952 -4.233 -4.053 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.321 -4.832 -2.595 1.00 0.95 H new ATOM 2832 N GLU B 36 16.174 -5.873 -5.781 1.00 0.22 N ATOM 2833 CA GLU B 36 15.876 -6.205 -7.160 1.00 0.24 C ATOM 2834 C GLU B 36 14.483 -5.711 -7.526 1.00 0.25 C ATOM 2835 O GLU B 36 14.289 -5.084 -8.568 1.00 0.32 O ATOM 2836 CB GLU B 36 15.959 -7.706 -7.367 1.00 0.28 C ATOM 2837 CG GLU B 36 16.314 -8.090 -8.786 1.00 0.65 C ATOM 2838 CD GLU B 36 16.296 -9.590 -9.001 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.175 -10.281 -8.441 1.00 1.48 O ATOM 2840 OE2 GLU B 36 15.405 -10.082 -9.726 1.00 1.30 O ATOM 0 H GLU B 36 16.383 -6.675 -5.186 1.00 0.22 H new ATOM 0 HA GLU B 36 16.609 -5.717 -7.803 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.704 -8.120 -6.688 1.00 0.28 H new ATOM 0 HB3 GLU B 36 15.002 -8.157 -7.103 1.00 0.28 H new ATOM 0 HG2 GLU B 36 15.611 -7.619 -9.473 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.304 -7.703 -9.027 1.00 0.65 H new ATOM 2847 N LEU B 37 13.526 -5.974 -6.644 1.00 0.23 N ATOM 2848 CA LEU B 37 12.150 -5.535 -6.824 1.00 0.26 C ATOM 2849 C LEU B 37 12.100 -4.026 -7.069 1.00 0.22 C ATOM 2850 O LEU B 37 11.523 -3.563 -8.057 1.00 0.22 O ATOM 2851 CB LEU B 37 11.342 -5.911 -5.577 1.00 0.32 C ATOM 2852 CG LEU B 37 9.823 -5.874 -5.720 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.209 -7.104 -5.071 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.257 -4.616 -5.084 1.00 0.74 C ATOM 0 H LEU B 37 13.684 -6.498 -5.783 1.00 0.23 H new ATOM 0 HA LEU B 37 11.718 -6.028 -7.695 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.633 -6.916 -5.271 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.626 -5.237 -4.769 1.00 0.32 H new ATOM 0 HG LEU B 37 9.576 -5.868 -6.782 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.125 -7.069 -5.178 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.593 -8.001 -5.556 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.469 -7.125 -4.013 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.173 -4.608 -5.196 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.512 -4.597 -4.024 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.679 -3.739 -5.574 1.00 0.74 H new ATOM 2866 N LEU B 38 12.744 -3.268 -6.187 1.00 0.19 N ATOM 2867 CA LEU B 38 12.783 -1.818 -6.305 1.00 0.19 C ATOM 2868 C LEU B 38 13.612 -1.370 -7.514 1.00 0.19 C ATOM 2869 O LEU B 38 13.193 -0.491 -8.255 1.00 0.21 O ATOM 2870 CB LEU B 38 13.323 -1.185 -5.017 1.00 0.19 C ATOM 2871 CG LEU B 38 12.314 -1.061 -3.870 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.710 -1.949 -2.703 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.198 0.389 -3.421 1.00 0.20 C ATOM 0 H LEU B 38 13.247 -3.638 -5.380 1.00 0.19 H new ATOM 0 HA LEU B 38 11.761 -1.474 -6.461 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.171 -1.776 -4.670 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.703 -0.191 -5.253 1.00 0.19 H new ATOM 0 HG LEU B 38 11.341 -1.392 -4.233 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.979 -1.844 -1.901 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.742 -2.988 -3.031 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.694 -1.653 -2.338 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.478 0.461 -2.606 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.170 0.743 -3.078 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.863 1.003 -4.257 1.00 0.20 H new ATOM 2885 N THR B 39 14.772 -1.982 -7.731 1.00 0.20 N ATOM 2886 CA THR B 39 15.638 -1.605 -8.853 1.00 0.22 C ATOM 2887 C THR B 39 14.927 -1.779 -10.189 1.00 0.23 C ATOM 2888 O THR B 39 15.190 -1.053 -11.145 1.00 0.27 O ATOM 2889 CB THR B 39 16.949 -2.424 -8.885 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.671 -3.831 -8.936 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.801 -2.131 -7.671 1.00 0.27 C ATOM 0 H THR B 39 15.136 -2.738 -7.151 1.00 0.20 H new ATOM 0 HA THR B 39 15.882 -0.554 -8.698 1.00 0.22 H new ATOM 0 HB THR B 39 17.494 -2.131 -9.783 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.711 -3.980 -8.809 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.717 -2.720 -7.719 1.00 0.27 H new ATOM 0 HG22 THR B 39 18.052 -1.071 -7.650 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.249 -2.391 -6.768 1.00 0.27 H new ATOM 2899 N ARG B 40 14.022 -2.741 -10.245 1.00 0.24 N ATOM 2900 CA ARG B 40 13.312 -3.047 -11.469 1.00 0.27 C ATOM 2901 C ARG B 40 12.037 -2.219 -11.593 1.00 0.27 C ATOM 2902 O ARG B 40 11.885 -1.430 -12.527 1.00 0.30 O ATOM 2903 CB ARG B 40 12.968 -4.537 -11.513 1.00 0.31 C ATOM 2904 CG ARG B 40 14.181 -5.451 -11.602 1.00 0.34 C ATOM 2905 CD ARG B 40 14.965 -5.222 -12.879 1.00 0.44 C ATOM 2906 NE ARG B 40 14.184 -5.536 -14.073 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.455 -5.055 -15.287 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.497 -4.253 -15.472 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.686 -5.393 -16.314 1.00 1.06 N ATOM 0 H ARG B 40 13.762 -3.325 -9.450 1.00 0.24 H new ATOM 0 HA ARG B 40 13.962 -2.796 -12.307 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.397 -4.794 -10.621 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.321 -4.725 -12.370 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.829 -5.280 -10.742 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.857 -6.491 -11.556 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.289 -4.182 -12.922 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.866 -5.836 -12.865 1.00 0.44 H new ATOM 0 HE ARG B 40 13.384 -6.160 -13.972 1.00 0.64 H new ATOM 0 HH11 ARG B 40 16.094 -4.002 -14.684 1.00 1.22 H new ATOM 0 HH12 ARG B 40 15.700 -3.888 -16.402 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.892 -6.018 -16.173 1.00 1.06 H new ATOM 0 HH22 ARG B 40 13.889 -5.028 -17.245 1.00 1.06 H new ATOM 2923 N GLU B 41 11.126 -2.400 -10.646 1.00 0.27 N ATOM 2924 CA GLU B 41 9.794 -1.825 -10.754 1.00 0.30 C ATOM 2925 C GLU B 41 9.594 -0.567 -9.910 1.00 0.34 C ATOM 2926 O GLU B 41 8.570 0.087 -10.034 1.00 0.46 O ATOM 2927 CB GLU B 41 8.746 -2.885 -10.429 1.00 0.36 C ATOM 2928 CG GLU B 41 8.469 -3.797 -11.612 1.00 0.45 C ATOM 2929 CD GLU B 41 7.774 -5.082 -11.228 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.554 -5.046 -10.977 1.00 1.59 O ATOM 2931 OE2 GLU B 41 8.447 -6.137 -11.196 1.00 1.54 O ATOM 0 H GLU B 41 11.286 -2.940 -9.796 1.00 0.27 H new ATOM 0 HA GLU B 41 9.674 -1.497 -11.786 1.00 0.30 H new ATOM 0 HB2 GLU B 41 9.086 -3.483 -9.583 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.820 -2.397 -10.123 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.855 -3.263 -12.337 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.411 -4.035 -12.106 1.00 0.45 H new ATOM 2938 N LEU B 42 10.544 -0.224 -9.048 1.00 0.27 N ATOM 2939 CA LEU B 42 10.424 1.017 -8.272 1.00 0.28 C ATOM 2940 C LEU B 42 11.660 1.917 -8.409 1.00 0.27 C ATOM 2941 O LEU B 42 12.075 2.526 -7.425 1.00 0.26 O ATOM 2942 CB LEU B 42 10.214 0.726 -6.778 1.00 0.27 C ATOM 2943 CG LEU B 42 8.981 -0.097 -6.409 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.238 -1.571 -6.619 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.579 0.167 -4.969 1.00 0.32 C ATOM 0 H LEU B 42 11.388 -0.768 -8.867 1.00 0.27 H new ATOM 0 HA LEU B 42 9.557 1.535 -8.682 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.096 0.205 -6.405 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.159 1.678 -6.250 1.00 0.27 H new ATOM 0 HG LEU B 42 8.162 0.205 -7.062 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.347 -2.138 -6.350 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.481 -1.752 -7.666 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.072 -1.888 -5.993 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.699 -0.427 -4.722 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.400 -0.107 -4.306 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.349 1.225 -4.843 1.00 0.32 H new ATOM 2957 N PRO B 43 12.250 2.078 -9.614 1.00 0.31 N ATOM 2958 CA PRO B 43 13.494 2.828 -9.757 1.00 0.33 C ATOM 2959 C PRO B 43 13.261 4.316 -9.557 1.00 0.33 C ATOM 2960 O PRO B 43 14.172 5.064 -9.208 1.00 0.36 O ATOM 2961 CB PRO B 43 13.951 2.548 -11.189 1.00 0.41 C ATOM 2962 CG PRO B 43 13.010 1.525 -11.736 1.00 0.51 C ATOM 2963 CD PRO B 43 11.754 1.617 -10.919 1.00 0.35 C ATOM 0 HA PRO B 43 14.236 2.532 -9.015 1.00 0.33 H new ATOM 0 HB2 PRO B 43 13.929 3.458 -11.789 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.977 2.181 -11.205 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.802 1.714 -12.789 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.442 0.527 -11.671 1.00 0.51 H new ATOM 0 HD2 PRO B 43 11.040 2.318 -11.351 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.249 0.654 -10.843 1.00 0.35 H new ATOM 2971 N SER B 44 12.023 4.732 -9.778 1.00 0.36 N ATOM 2972 CA SER B 44 11.623 6.111 -9.578 1.00 0.39 C ATOM 2973 C SER B 44 11.633 6.465 -8.095 1.00 0.35 C ATOM 2974 O SER B 44 12.008 7.564 -7.706 1.00 0.40 O ATOM 2975 CB SER B 44 10.226 6.321 -10.159 1.00 0.46 C ATOM 2976 OG SER B 44 10.151 5.821 -11.487 1.00 1.09 O ATOM 0 H SER B 44 11.271 4.123 -10.100 1.00 0.36 H new ATOM 0 HA SER B 44 12.332 6.763 -10.088 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.488 5.818 -9.534 1.00 0.46 H new ATOM 0 HB3 SER B 44 9.980 7.383 -10.151 1.00 0.46 H new ATOM 0 HG SER B 44 9.987 4.855 -11.464 1.00 1.09 H new ATOM 2982 N PHE B 45 11.246 5.508 -7.265 1.00 0.30 N ATOM 2983 CA PHE B 45 11.119 5.731 -5.834 1.00 0.28 C ATOM 2984 C PHE B 45 12.388 5.313 -5.117 1.00 0.28 C ATOM 2985 O PHE B 45 12.352 4.922 -3.961 1.00 0.27 O ATOM 2986 CB PHE B 45 9.926 4.947 -5.286 1.00 0.31 C ATOM 2987 CG PHE B 45 8.747 4.906 -6.214 1.00 0.28 C ATOM 2988 CD1 PHE B 45 8.245 6.063 -6.802 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.146 3.697 -6.505 1.00 1.28 C ATOM 2990 CE1 PHE B 45 7.163 5.997 -7.656 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.066 3.629 -7.357 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.573 4.779 -7.931 1.00 0.47 C ATOM 0 H PHE B 45 11.013 4.561 -7.563 1.00 0.30 H new ATOM 0 HA PHE B 45 10.956 6.795 -5.661 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.242 3.926 -5.071 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.616 5.391 -4.340 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.704 7.017 -6.589 1.00 1.17 H new ATOM 0 HD2 PHE B 45 8.529 2.791 -6.058 1.00 1.28 H new ATOM 0 HE1 PHE B 45 6.777 6.898 -8.109 1.00 1.18 H new ATOM 0 HE2 PHE B 45 6.607 2.676 -7.574 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.724 4.729 -8.597 1.00 0.47 H new ATOM 3002 N LEU B 46 13.511 5.402 -5.804 1.00 0.32 N ATOM 3003 CA LEU B 46 14.791 5.177 -5.160 1.00 0.33 C ATOM 3004 C LEU B 46 15.403 6.516 -4.767 1.00 0.39 C ATOM 3005 O LEU B 46 16.151 6.610 -3.800 1.00 0.47 O ATOM 3006 CB LEU B 46 15.736 4.390 -6.075 1.00 0.35 C ATOM 3007 CG LEU B 46 15.188 3.044 -6.565 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.275 2.241 -7.262 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.587 2.255 -5.409 1.00 0.30 C ATOM 0 H LEU B 46 13.564 5.626 -6.798 1.00 0.32 H new ATOM 0 HA LEU B 46 14.635 4.580 -4.262 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.975 5.006 -6.942 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.670 4.213 -5.542 1.00 0.35 H new ATOM 0 HG LEU B 46 14.397 3.241 -7.289 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.864 1.290 -7.601 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.648 2.801 -8.119 1.00 0.41 H new ATOM 0 HD13 LEU B 46 17.093 2.055 -6.566 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.204 1.304 -5.778 1.00 0.30 H new ATOM 0 HD22 LEU B 46 15.354 2.070 -4.657 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.772 2.826 -4.964 1.00 0.30 H new ATOM 3021 N GLY B 47 15.044 7.548 -5.519 1.00 0.41 N ATOM 3022 CA GLY B 47 15.514 8.910 -5.282 1.00 0.49 C ATOM 3023 C GLY B 47 17.016 9.114 -5.445 1.00 0.53 C ATOM 3024 O GLY B 47 17.447 10.171 -5.907 1.00 0.60 O ATOM 0 H GLY B 47 14.414 7.465 -6.317 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.996 9.581 -5.967 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.231 9.205 -4.272 1.00 0.49 H new ATOM 3028 N LYS B 48 17.817 8.116 -5.094 1.00 0.54 N ATOM 3029 CA LYS B 48 19.265 8.232 -5.203 1.00 0.67 C ATOM 3030 C LYS B 48 19.914 6.896 -5.552 1.00 0.70 C ATOM 3031 O LYS B 48 21.138 6.767 -5.471 1.00 1.18 O ATOM 3032 CB LYS B 48 19.857 8.736 -3.887 1.00 0.82 C ATOM 3033 CG LYS B 48 19.690 7.752 -2.739 1.00 1.41 C ATOM 3034 CD LYS B 48 20.737 7.964 -1.655 1.00 2.04 C ATOM 3035 CE LYS B 48 22.149 7.857 -2.217 1.00 2.61 C ATOM 3036 NZ LYS B 48 22.379 6.569 -2.928 1.00 3.21 N ATOM 0 H LYS B 48 17.490 7.220 -4.733 1.00 0.54 H new ATOM 0 HA LYS B 48 19.471 8.941 -6.005 1.00 0.67 H new ATOM 0 HB2 LYS B 48 20.918 8.942 -4.029 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.382 9.680 -3.620 1.00 0.82 H new ATOM 0 HG2 LYS B 48 18.694 7.861 -2.309 1.00 1.41 H new ATOM 0 HG3 LYS B 48 19.763 6.733 -3.120 1.00 1.41 H new ATOM 0 HD2 LYS B 48 20.598 8.945 -1.200 1.00 2.04 H new ATOM 0 HD3 LYS B 48 20.601 7.224 -0.866 1.00 2.04 H new ATOM 0 HE2 LYS B 48 22.328 8.685 -2.903 1.00 2.61 H new ATOM 0 HE3 LYS B 48 22.869 7.955 -1.405 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 23.363 6.528 -3.263 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 22.202 5.777 -2.278 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 21.734 6.501 -3.741 1.00 3.21 H new ATOM 3050 N ARG B 49 19.092 5.914 -5.923 1.00 0.54 N ATOM 3051 CA ARG B 49 19.561 4.556 -6.232 1.00 0.54 C ATOM 3052 C ARG B 49 19.967 3.810 -4.959 1.00 0.51 C ATOM 3053 O ARG B 49 20.554 4.385 -4.039 1.00 0.55 O ATOM 3054 CB ARG B 49 20.731 4.580 -7.228 1.00 0.66 C ATOM 3055 CG ARG B 49 21.151 3.206 -7.732 1.00 0.74 C ATOM 3056 CD ARG B 49 20.069 2.577 -8.596 1.00 0.73 C ATOM 3057 NE ARG B 49 19.775 3.388 -9.777 1.00 1.28 N ATOM 3058 CZ ARG B 49 18.967 3.005 -10.766 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.422 1.794 -10.755 1.00 1.43 N ATOM 3060 NH2 ARG B 49 18.726 3.822 -11.782 1.00 2.26 N ATOM 0 H ARG B 49 18.084 6.034 -6.019 1.00 0.54 H new ATOM 0 HA ARG B 49 18.730 4.025 -6.695 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.454 5.198 -8.082 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.588 5.058 -6.753 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.073 3.294 -8.307 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.365 2.556 -6.884 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.386 1.582 -8.908 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.161 2.451 -8.006 1.00 0.73 H new ATOM 0 HE ARG B 49 20.216 4.305 -9.849 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.621 1.152 -9.988 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.804 1.506 -11.514 1.00 1.43 H new ATOM 0 HH21 ARG B 49 19.159 4.745 -11.808 1.00 2.26 H new ATOM 0 HH22 ARG B 49 18.108 3.527 -12.538 1.00 2.26 H new ATOM 3074 N THR B 50 19.642 2.525 -4.918 1.00 0.51 N ATOM 3075 CA THR B 50 19.927 1.691 -3.766 1.00 0.51 C ATOM 3076 C THR B 50 21.418 1.369 -3.649 1.00 0.61 C ATOM 3077 O THR B 50 22.081 1.053 -4.639 1.00 0.82 O ATOM 3078 CB THR B 50 19.113 0.390 -3.833 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.098 -0.103 -5.180 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.687 0.618 -3.353 1.00 0.57 C ATOM 0 H THR B 50 19.175 2.036 -5.681 1.00 0.51 H new ATOM 0 HA THR B 50 19.638 2.253 -2.878 1.00 0.51 H new ATOM 0 HB THR B 50 19.583 -0.345 -3.180 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.978 0.034 -5.588 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.130 -0.317 -3.410 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.702 0.969 -2.321 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.206 1.365 -3.984 1.00 0.57 H new ATOM 3088 N ASP B 51 21.940 1.476 -2.434 1.00 0.58 N ATOM 3089 CA ASP B 51 23.338 1.164 -2.161 1.00 0.72 C ATOM 3090 C ASP B 51 23.438 -0.113 -1.342 1.00 0.60 C ATOM 3091 O ASP B 51 22.421 -0.666 -0.920 1.00 0.58 O ATOM 3092 CB ASP B 51 24.014 2.298 -1.385 1.00 0.91 C ATOM 3093 CG ASP B 51 23.854 3.652 -2.036 1.00 1.35 C ATOM 3094 OD1 ASP B 51 24.586 3.942 -3.005 1.00 1.91 O ATOM 3095 OD2 ASP B 51 23.013 4.445 -1.563 1.00 1.98 O ATOM 0 H ASP B 51 21.412 1.779 -1.616 1.00 0.58 H new ATOM 0 HA ASP B 51 23.842 1.036 -3.119 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.599 2.336 -0.378 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.076 2.076 -1.284 1.00 0.91 H new ATOM 3100 N GLU B 52 24.658 -0.569 -1.099 1.00 0.68 N ATOM 3101 CA GLU B 52 24.875 -1.761 -0.291 1.00 0.66 C ATOM 3102 C GLU B 52 24.804 -1.427 1.196 1.00 0.55 C ATOM 3103 O GLU B 52 24.007 -2.009 1.935 1.00 0.50 O ATOM 3104 CB GLU B 52 26.223 -2.399 -0.629 1.00 0.83 C ATOM 3105 CG GLU B 52 26.319 -2.881 -2.066 1.00 1.57 C ATOM 3106 CD GLU B 52 27.634 -3.563 -2.363 1.00 2.22 C ATOM 3107 OE1 GLU B 52 27.729 -4.790 -2.168 1.00 2.89 O ATOM 3108 OE2 GLU B 52 28.585 -2.873 -2.791 1.00 2.79 O ATOM 0 H GLU B 52 25.511 -0.133 -1.449 1.00 0.68 H new ATOM 0 HA GLU B 52 24.085 -2.476 -0.520 1.00 0.66 H new ATOM 0 HB2 GLU B 52 27.016 -1.675 -0.443 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.396 -3.241 0.041 1.00 0.83 H new ATOM 0 HG2 GLU B 52 25.501 -3.573 -2.269 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.194 -2.033 -2.739 1.00 1.57 H new ATOM 3115 N ALA B 53 25.610 -0.460 1.625 1.00 0.58 N ATOM 3116 CA ALA B 53 25.649 -0.061 3.029 1.00 0.58 C ATOM 3117 C ALA B 53 24.346 0.611 3.435 1.00 0.53 C ATOM 3118 O ALA B 53 23.980 0.638 4.607 1.00 0.58 O ATOM 3119 CB ALA B 53 26.824 0.867 3.289 1.00 0.70 C ATOM 0 H ALA B 53 26.245 0.062 1.021 1.00 0.58 H new ATOM 0 HA ALA B 53 25.776 -0.960 3.633 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.836 1.153 4.341 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.754 0.355 3.042 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.726 1.760 2.671 1.00 0.70 H new ATOM 3125 N ALA B 54 23.649 1.152 2.454 1.00 0.52 N ATOM 3126 CA ALA B 54 22.362 1.778 2.692 1.00 0.51 C ATOM 3127 C ALA B 54 21.277 0.731 2.860 1.00 0.39 C ATOM 3128 O ALA B 54 20.294 0.944 3.562 1.00 0.35 O ATOM 3129 CB ALA B 54 22.003 2.681 1.540 1.00 0.63 C ATOM 0 H ALA B 54 23.954 1.171 1.481 1.00 0.52 H new ATOM 0 HA ALA B 54 22.436 2.364 3.608 1.00 0.51 H new ATOM 0 HB1 ALA B 54 21.035 3.145 1.730 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.763 3.456 1.434 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.951 2.096 0.622 1.00 0.63 H new ATOM 3135 N PHE B 55 21.446 -0.396 2.192 1.00 0.38 N ATOM 3136 CA PHE B 55 20.435 -1.439 2.224 1.00 0.32 C ATOM 3137 C PHE B 55 20.433 -2.192 3.548 1.00 0.31 C ATOM 3138 O PHE B 55 19.396 -2.714 3.963 1.00 0.31 O ATOM 3139 CB PHE B 55 20.605 -2.416 1.069 1.00 0.41 C ATOM 3140 CG PHE B 55 19.287 -2.820 0.488 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.410 -3.614 1.211 1.00 1.25 C ATOM 3142 CD2 PHE B 55 18.909 -2.377 -0.764 1.00 1.23 C ATOM 3143 CE1 PHE B 55 17.182 -3.962 0.690 1.00 1.22 C ATOM 3144 CE2 PHE B 55 17.683 -2.719 -1.287 1.00 1.30 C ATOM 3145 CZ PHE B 55 16.817 -3.515 -0.560 1.00 0.46 C ATOM 0 H PHE B 55 22.266 -0.612 1.625 1.00 0.38 H new ATOM 0 HA PHE B 55 19.472 -0.939 2.118 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.220 -1.959 0.294 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.136 -3.302 1.417 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.692 -3.964 2.193 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.581 -1.757 -1.338 1.00 1.23 H new ATOM 0 HE1 PHE B 55 16.508 -4.584 1.261 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.397 -2.365 -2.266 1.00 1.30 H new ATOM 0 HZ PHE B 55 15.856 -3.786 -0.972 1.00 0.46 H new ATOM 3155 N GLN B 56 21.576 -2.245 4.226 1.00 0.35 N ATOM 3156 CA GLN B 56 21.615 -2.850 5.552 1.00 0.41 C ATOM 3157 C GLN B 56 20.819 -1.983 6.519 1.00 0.42 C ATOM 3158 O GLN B 56 20.389 -2.437 7.578 1.00 0.52 O ATOM 3159 CB GLN B 56 23.053 -3.062 6.046 1.00 0.51 C ATOM 3160 CG GLN B 56 23.815 -1.790 6.369 1.00 0.53 C ATOM 3161 CD GLN B 56 25.270 -2.062 6.707 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.850 -3.069 6.072 1.00 1.15 O flip ATOM 3163 NE2 GLN B 56 25.871 -1.360 7.521 1.00 1.53 N flip ATOM 0 H GLN B 56 22.469 -1.885 3.888 1.00 0.35 H new ATOM 0 HA GLN B 56 21.162 -3.840 5.497 1.00 0.41 H new ATOM 0 HB2 GLN B 56 23.026 -3.688 6.938 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.605 -3.615 5.285 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.762 -1.111 5.518 1.00 0.53 H new ATOM 0 HG3 GLN B 56 23.337 -1.286 7.209 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.387 -0.593 7.989 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.853 -1.545 7.727 1.00 1.53 H new ATOM 3172 N LYS B 57 20.625 -0.729 6.129 1.00 0.36 N ATOM 3173 CA LYS B 57 19.695 0.154 6.809 1.00 0.39 C ATOM 3174 C LYS B 57 18.285 -0.166 6.338 1.00 0.34 C ATOM 3175 O LYS B 57 17.397 -0.433 7.134 1.00 0.41 O ATOM 3176 CB LYS B 57 19.992 1.617 6.479 1.00 0.44 C ATOM 3177 CG LYS B 57 21.431 2.036 6.705 1.00 0.54 C ATOM 3178 CD LYS B 57 21.730 3.337 5.975 1.00 0.61 C ATOM 3179 CE LYS B 57 23.111 3.865 6.314 1.00 0.79 C ATOM 3180 NZ LYS B 57 23.244 4.155 7.766 1.00 1.27 N ATOM 0 H LYS B 57 21.106 -0.301 5.338 1.00 0.36 H new ATOM 0 HA LYS B 57 19.795 0.005 7.884 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.734 1.800 5.436 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.344 2.251 7.084 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.616 2.160 7.772 1.00 0.54 H new ATOM 0 HG3 LYS B 57 22.103 1.253 6.354 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.656 3.176 4.899 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.980 4.083 6.239 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.864 3.134 6.018 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.305 4.772 5.742 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.662 5.099 7.895 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 22.305 4.128 8.213 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 23.858 3.441 8.208 1.00 1.27 H new ATOM 3194 N LEU B 58 18.124 -0.165 5.015 1.00 0.27 N ATOM 3195 CA LEU B 58 16.824 -0.305 4.363 1.00 0.25 C ATOM 3196 C LEU B 58 16.032 -1.506 4.871 1.00 0.24 C ATOM 3197 O LEU B 58 14.902 -1.353 5.322 1.00 0.26 O ATOM 3198 CB LEU B 58 17.003 -0.412 2.849 1.00 0.22 C ATOM 3199 CG LEU B 58 15.695 -0.447 2.066 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.910 0.816 2.321 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.952 -0.597 0.584 1.00 0.23 C ATOM 0 H LEU B 58 18.900 -0.066 4.360 1.00 0.27 H new ATOM 0 HA LEU B 58 16.251 0.589 4.611 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.597 0.434 2.504 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.572 -1.314 2.625 1.00 0.22 H new ATOM 0 HG LEU B 58 15.120 -1.309 2.404 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.977 0.784 1.759 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.690 0.899 3.385 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.496 1.679 2.004 1.00 0.26 H new ATOM 0 HD21 LEU B 58 15.002 -0.619 0.050 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.547 0.245 0.231 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.493 -1.525 0.401 1.00 0.23 H new ATOM 3213 N MET B 59 16.610 -2.695 4.772 1.00 0.24 N ATOM 3214 CA MET B 59 15.953 -3.902 5.278 1.00 0.27 C ATOM 3215 C MET B 59 15.529 -3.727 6.733 1.00 0.34 C ATOM 3216 O MET B 59 14.405 -4.047 7.106 1.00 0.41 O ATOM 3217 CB MET B 59 16.874 -5.117 5.144 1.00 0.28 C ATOM 3218 CG MET B 59 16.386 -6.343 5.905 1.00 0.30 C ATOM 3219 SD MET B 59 14.668 -6.757 5.546 1.00 0.31 S ATOM 3220 CE MET B 59 14.775 -7.224 3.826 1.00 0.25 C ATOM 0 H MET B 59 17.525 -2.854 4.350 1.00 0.24 H new ATOM 0 HA MET B 59 15.060 -4.070 4.676 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.974 -5.371 4.089 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.868 -4.850 5.503 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.019 -7.195 5.655 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.496 -6.167 6.975 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.833 -7.673 3.511 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.976 -6.340 3.221 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.582 -7.945 3.694 1.00 0.25 H new ATOM 3230 N SER B 60 16.423 -3.172 7.535 1.00 0.39 N ATOM 3231 CA SER B 60 16.179 -2.993 8.956 1.00 0.51 C ATOM 3232 C SER B 60 15.247 -1.798 9.195 1.00 0.44 C ATOM 3233 O SER B 60 14.862 -1.502 10.327 1.00 0.51 O ATOM 3234 CB SER B 60 17.523 -2.806 9.664 1.00 0.70 C ATOM 3235 OG SER B 60 17.408 -2.911 11.074 1.00 1.36 O ATOM 0 H SER B 60 17.333 -2.835 7.221 1.00 0.39 H new ATOM 0 HA SER B 60 15.682 -3.874 9.363 1.00 0.51 H new ATOM 0 HB2 SER B 60 18.229 -3.554 9.303 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.934 -1.830 9.407 1.00 0.70 H new ATOM 0 HG SER B 60 16.531 -2.578 11.356 1.00 1.36 H new ATOM 3241 N ASN B 61 14.898 -1.109 8.114 1.00 0.37 N ATOM 3242 CA ASN B 61 13.933 -0.025 8.158 1.00 0.42 C ATOM 3243 C ASN B 61 12.547 -0.567 7.883 1.00 0.44 C ATOM 3244 O ASN B 61 11.547 -0.002 8.323 1.00 0.64 O ATOM 3245 CB ASN B 61 14.280 1.055 7.143 1.00 0.46 C ATOM 3246 CG ASN B 61 15.325 2.030 7.643 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.309 3.226 7.088 1.00 0.96 O flip ATOM 3248 ND2 ASN B 61 16.140 1.718 8.514 1.00 0.92 N flip ATOM 0 H ASN B 61 15.278 -1.289 7.185 1.00 0.37 H new ATOM 0 HA ASN B 61 13.959 0.422 9.152 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.641 0.583 6.229 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.375 1.604 6.883 1.00 0.46 H new ATOM 0 HD21 ASN B 61 16.120 0.782 8.919 1.00 0.92 H new ATOM 0 HD22 ASN B 61 16.834 2.396 8.829 1.00 0.92 H new ATOM 3255 N LEU B 62 12.491 -1.669 7.142 1.00 0.33 N ATOM 3256 CA LEU B 62 11.235 -2.338 6.890 1.00 0.39 C ATOM 3257 C LEU B 62 10.970 -3.357 7.979 1.00 0.54 C ATOM 3258 O LEU B 62 10.061 -3.186 8.788 1.00 1.18 O ATOM 3259 CB LEU B 62 11.238 -3.029 5.525 1.00 0.35 C ATOM 3260 CG LEU B 62 10.901 -2.140 4.329 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.618 -1.375 4.591 1.00 0.24 C ATOM 3262 CD2 LEU B 62 12.041 -1.190 4.004 1.00 0.22 C ATOM 0 H LEU B 62 13.302 -2.111 6.710 1.00 0.33 H new ATOM 0 HA LEU B 62 10.445 -1.587 6.889 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.223 -3.466 5.362 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.524 -3.852 5.554 1.00 0.35 H new ATOM 0 HG LEU B 62 10.755 -2.782 3.460 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.388 -0.745 3.732 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.802 -2.079 4.754 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.741 -0.751 5.476 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.767 -0.573 3.148 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.238 -0.551 4.864 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.936 -1.764 3.766 1.00 0.22 H new ATOM 3274 N ASP B 63 11.805 -4.386 8.010 1.00 0.31 N ATOM 3275 CA ASP B 63 11.641 -5.506 8.926 1.00 0.33 C ATOM 3276 C ASP B 63 11.625 -5.030 10.374 1.00 0.37 C ATOM 3277 O ASP B 63 12.643 -4.577 10.897 1.00 0.43 O ATOM 3278 CB ASP B 63 12.778 -6.512 8.717 1.00 0.40 C ATOM 3279 CG ASP B 63 12.599 -7.787 9.519 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.474 -8.041 10.005 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.588 -8.539 9.671 1.00 1.08 O ATOM 0 H ASP B 63 12.618 -4.468 7.399 1.00 0.31 H new ATOM 0 HA ASP B 63 10.685 -5.987 8.717 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.844 -6.762 7.658 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.723 -6.045 8.994 1.00 0.40 H new ATOM 3286 N SER B 64 10.461 -5.109 11.005 1.00 0.43 N ATOM 3287 CA SER B 64 10.317 -4.737 12.405 1.00 0.52 C ATOM 3288 C SER B 64 10.964 -5.800 13.287 1.00 0.58 C ATOM 3289 O SER B 64 11.338 -5.542 14.434 1.00 0.71 O ATOM 3290 CB SER B 64 8.833 -4.569 12.759 1.00 0.67 C ATOM 3291 OG SER B 64 8.662 -4.091 14.086 1.00 1.14 O ATOM 0 H SER B 64 9.598 -5.430 10.566 1.00 0.43 H new ATOM 0 HA SER B 64 10.818 -3.785 12.578 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.368 -3.875 12.059 1.00 0.67 H new ATOM 0 HB3 SER B 64 8.321 -5.525 12.647 1.00 0.67 H new ATOM 0 HG SER B 64 7.706 -3.994 14.278 1.00 1.14 H new ATOM 3297 N ASN B 65 11.109 -6.996 12.731 1.00 0.60 N ATOM 3298 CA ASN B 65 11.777 -8.086 13.422 1.00 0.75 C ATOM 3299 C ASN B 65 13.286 -7.887 13.321 1.00 0.76 C ATOM 3300 O ASN B 65 14.054 -8.411 14.128 1.00 0.91 O ATOM 3301 CB ASN B 65 11.354 -9.425 12.805 1.00 0.89 C ATOM 3302 CG ASN B 65 11.895 -10.623 13.557 1.00 1.52 C ATOM 3303 OD1 ASN B 65 13.030 -11.137 13.115 1.00 1.87 O flip ATOM 3304 ND2 ASN B 65 11.281 -11.097 14.512 1.00 2.34 N flip ATOM 0 H ASN B 65 10.770 -7.234 11.799 1.00 0.60 H new ATOM 0 HA ASN B 65 11.494 -8.094 14.475 1.00 0.75 H new ATOM 0 HB2 ASN B 65 10.266 -9.480 12.781 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.698 -9.467 11.771 1.00 0.89 H new ATOM 0 HD21 ASN B 65 10.408 -10.669 14.820 1.00 2.34 H new ATOM 0 HD22 ASN B 65 11.645 -11.918 14.995 1.00 2.34 H new ATOM 3311 N ARG B 66 13.680 -7.097 12.320 1.00 0.68 N ATOM 3312 CA ARG B 66 15.065 -6.684 12.111 1.00 0.81 C ATOM 3313 C ARG B 66 16.022 -7.870 12.055 1.00 0.88 C ATOM 3314 O ARG B 66 16.986 -7.934 12.820 1.00 1.11 O ATOM 3315 CB ARG B 66 15.499 -5.704 13.207 1.00 1.04 C ATOM 3316 CG ARG B 66 14.757 -4.379 13.158 1.00 1.10 C ATOM 3317 CD ARG B 66 15.175 -3.456 14.290 1.00 1.39 C ATOM 3318 NE ARG B 66 14.826 -3.997 15.604 1.00 2.08 N ATOM 3319 CZ ARG B 66 13.926 -3.442 16.419 1.00 2.77 C ATOM 3320 NH1 ARG B 66 13.263 -2.357 16.045 1.00 2.86 N ATOM 3321 NH2 ARG B 66 13.684 -3.981 17.607 1.00 3.79 N ATOM 0 H ARG B 66 13.036 -6.722 11.624 1.00 0.68 H new ATOM 0 HA ARG B 66 15.110 -6.187 11.142 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.339 -6.166 14.181 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.569 -5.517 13.114 1.00 1.04 H new ATOM 0 HG2 ARG B 66 14.947 -3.891 12.202 1.00 1.10 H new ATOM 0 HG3 ARG B 66 13.684 -4.561 13.215 1.00 1.10 H new ATOM 0 HD2 ARG B 66 16.251 -3.290 14.242 1.00 1.39 H new ATOM 0 HD3 ARG B 66 14.696 -2.485 14.160 1.00 1.39 H new ATOM 0 HE ARG B 66 15.297 -4.847 15.915 1.00 2.08 H new ATOM 0 HH11 ARG B 66 13.439 -1.942 15.130 1.00 2.86 H new ATOM 0 HH12 ARG B 66 12.577 -1.937 16.672 1.00 2.86 H new ATOM 0 HH21 ARG B 66 14.186 -4.820 17.898 1.00 3.79 H new ATOM 0 HH22 ARG B 66 12.996 -3.556 18.229 1.00 3.79 H new ATOM 3335 N ASP B 67 15.768 -8.804 11.144 1.00 0.75 N ATOM 3336 CA ASP B 67 16.655 -9.950 10.998 1.00 0.88 C ATOM 3337 C ASP B 67 17.315 -9.976 9.623 1.00 0.77 C ATOM 3338 O ASP B 67 18.536 -10.138 9.538 1.00 0.96 O ATOM 3339 CB ASP B 67 15.890 -11.256 11.226 1.00 1.00 C ATOM 3340 CG ASP B 67 16.796 -12.472 11.188 1.00 1.39 C ATOM 3341 OD1 ASP B 67 17.320 -12.861 12.257 1.00 1.95 O ATOM 3342 OD2 ASP B 67 16.983 -13.049 10.099 1.00 1.93 O ATOM 0 H ASP B 67 14.971 -8.791 10.508 1.00 0.75 H new ATOM 0 HA ASP B 67 17.436 -9.854 11.752 1.00 0.88 H new ATOM 0 HB2 ASP B 67 15.384 -11.214 12.190 1.00 1.00 H new ATOM 0 HB3 ASP B 67 15.117 -11.359 10.465 1.00 1.00 H new ATOM 3347 N ASN B 68 16.518 -9.740 8.567 1.00 0.62 N ATOM 3348 CA ASN B 68 17.012 -9.750 7.177 1.00 0.55 C ATOM 3349 C ASN B 68 15.879 -9.948 6.174 1.00 0.43 C ATOM 3350 O ASN B 68 16.104 -9.935 4.964 1.00 0.57 O ATOM 3351 CB ASN B 68 18.027 -10.869 6.944 1.00 0.77 C ATOM 3352 CG ASN B 68 18.839 -10.684 5.674 1.00 1.30 C ATOM 3353 OD1 ASN B 68 19.117 -9.561 5.252 1.00 1.41 O ATOM 3354 ND2 ASN B 68 19.220 -11.791 5.052 1.00 2.22 N ATOM 0 H ASN B 68 15.522 -9.538 8.650 1.00 0.62 H new ATOM 0 HA ASN B 68 17.482 -8.778 7.026 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.704 -10.920 7.797 1.00 0.77 H new ATOM 0 HB3 ASN B 68 17.502 -11.823 6.896 1.00 0.77 H new ATOM 0 HD21 ASN B 68 19.764 -11.731 4.191 1.00 2.22 H new ATOM 0 HD22 ASN B 68 18.969 -12.703 5.434 1.00 2.22 H new ATOM 3361 N GLU B 69 14.667 -10.109 6.662 1.00 0.42 N ATOM 3362 CA GLU B 69 13.579 -10.558 5.808 1.00 0.42 C ATOM 3363 C GLU B 69 12.274 -9.830 6.098 1.00 0.39 C ATOM 3364 O GLU B 69 11.876 -9.661 7.246 1.00 0.54 O ATOM 3365 CB GLU B 69 13.392 -12.069 5.953 1.00 0.60 C ATOM 3366 CG GLU B 69 13.340 -12.544 7.394 1.00 1.04 C ATOM 3367 CD GLU B 69 13.175 -14.043 7.496 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.173 -14.768 7.304 1.00 1.84 O ATOM 3369 OE2 GLU B 69 12.049 -14.505 7.770 1.00 2.09 O ATOM 0 H GLU B 69 14.408 -9.939 7.634 1.00 0.42 H new ATOM 0 HA GLU B 69 13.852 -10.321 4.780 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.470 -12.362 5.450 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.209 -12.578 5.442 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.255 -12.245 7.906 1.00 1.04 H new ATOM 0 HG3 GLU B 69 12.513 -12.053 7.907 1.00 1.04 H new ATOM 3376 N VAL B 70 11.613 -9.423 5.030 1.00 0.28 N ATOM 3377 CA VAL B 70 10.361 -8.695 5.111 1.00 0.25 C ATOM 3378 C VAL B 70 9.169 -9.636 4.942 1.00 0.25 C ATOM 3379 O VAL B 70 9.117 -10.430 3.997 1.00 0.33 O ATOM 3380 CB VAL B 70 10.336 -7.572 4.045 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.926 -7.252 3.577 1.00 0.29 C ATOM 3382 CG2 VAL B 70 10.994 -6.326 4.603 1.00 0.30 C ATOM 0 H VAL B 70 11.932 -9.590 4.076 1.00 0.28 H new ATOM 0 HA VAL B 70 10.284 -8.241 6.099 1.00 0.25 H new ATOM 0 HB VAL B 70 10.890 -7.929 3.177 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.962 -6.459 2.830 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.477 -8.143 3.138 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.326 -6.924 4.426 1.00 0.29 H new ATOM 0 HG21 VAL B 70 10.975 -5.537 3.851 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.453 -5.995 5.490 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.027 -6.549 4.870 1.00 0.30 H new ATOM 3392 N ASP B 71 8.228 -9.552 5.879 1.00 0.25 N ATOM 3393 CA ASP B 71 7.026 -10.382 5.854 1.00 0.29 C ATOM 3394 C ASP B 71 5.882 -9.627 5.167 1.00 0.22 C ATOM 3395 O ASP B 71 6.087 -8.524 4.668 1.00 0.21 O ATOM 3396 CB ASP B 71 6.646 -10.792 7.280 1.00 0.42 C ATOM 3397 CG ASP B 71 5.719 -11.990 7.324 1.00 1.18 C ATOM 3398 OD1 ASP B 71 6.215 -13.133 7.274 1.00 2.06 O ATOM 3399 OD2 ASP B 71 4.490 -11.791 7.421 1.00 1.72 O ATOM 0 H ASP B 71 8.276 -8.912 6.672 1.00 0.25 H new ATOM 0 HA ASP B 71 7.222 -11.289 5.282 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.553 -11.020 7.840 1.00 0.42 H new ATOM 0 HB3 ASP B 71 6.166 -9.950 7.779 1.00 0.42 H new ATOM 3404 N PHE B 72 4.682 -10.205 5.158 1.00 0.21 N ATOM 3405 CA PHE B 72 3.590 -9.708 4.318 1.00 0.19 C ATOM 3406 C PHE B 72 3.181 -8.271 4.658 1.00 0.15 C ATOM 3407 O PHE B 72 3.270 -7.388 3.801 1.00 0.14 O ATOM 3408 CB PHE B 72 2.373 -10.628 4.407 1.00 0.21 C ATOM 3409 CG PHE B 72 1.602 -10.710 3.117 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.678 -9.691 2.178 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.824 -11.816 2.834 1.00 1.18 C ATOM 3412 CE1 PHE B 72 0.989 -9.772 0.984 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.134 -11.905 1.643 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.217 -10.882 0.717 1.00 0.32 C ATOM 0 H PHE B 72 4.440 -11.019 5.723 1.00 0.21 H new ATOM 0 HA PHE B 72 3.970 -9.704 3.296 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.700 -11.628 4.692 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.712 -10.271 5.197 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.285 -8.822 2.384 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.755 -12.619 3.553 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.055 -8.970 0.264 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.471 -12.774 1.434 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.323 -10.953 -0.216 1.00 0.32 H new ATOM 3424 N GLN B 73 2.722 -8.023 5.886 1.00 0.15 N ATOM 3425 CA GLN B 73 2.282 -6.676 6.254 1.00 0.14 C ATOM 3426 C GLN B 73 3.444 -5.703 6.149 1.00 0.12 C ATOM 3427 O GLN B 73 3.256 -4.561 5.748 1.00 0.13 O ATOM 3428 CB GLN B 73 1.647 -6.629 7.655 1.00 0.16 C ATOM 3429 CG GLN B 73 1.232 -5.235 8.093 1.00 0.26 C ATOM 3430 CD GLN B 73 0.480 -5.243 9.407 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.282 -6.165 9.696 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.725 -4.245 10.234 1.00 0.60 N ATOM 0 H GLN B 73 2.646 -8.719 6.628 1.00 0.15 H new ATOM 0 HA GLN B 73 1.504 -6.379 5.551 1.00 0.14 H new ATOM 0 HB2 GLN B 73 0.773 -7.280 7.670 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.356 -7.031 8.379 1.00 0.16 H new ATOM 0 HG2 GLN B 73 2.119 -4.608 8.189 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.606 -4.786 7.322 1.00 0.26 H new ATOM 0 HE21 GLN B 73 1.363 -3.499 9.958 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.276 -4.220 11.150 1.00 0.60 H new ATOM 3441 N GLU B 74 4.647 -6.180 6.456 1.00 0.14 N ATOM 3442 CA GLU B 74 5.848 -5.360 6.360 1.00 0.17 C ATOM 3443 C GLU B 74 6.082 -4.947 4.913 1.00 0.14 C ATOM 3444 O GLU B 74 6.433 -3.807 4.623 1.00 0.16 O ATOM 3445 CB GLU B 74 7.058 -6.136 6.859 1.00 0.27 C ATOM 3446 CG GLU B 74 8.088 -5.271 7.550 1.00 0.38 C ATOM 3447 CD GLU B 74 7.736 -5.058 9.005 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.999 -4.103 9.314 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.176 -5.874 9.844 1.00 1.21 O ATOM 0 H GLU B 74 4.815 -7.134 6.775 1.00 0.14 H new ATOM 0 HA GLU B 74 5.710 -4.472 6.977 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.723 -6.910 7.550 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.528 -6.642 6.016 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.069 -5.740 7.475 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.156 -4.308 7.045 1.00 0.38 H new ATOM 3456 N TYR B 75 5.883 -5.899 4.015 1.00 0.14 N ATOM 3457 CA TYR B 75 6.024 -5.673 2.585 1.00 0.14 C ATOM 3458 C TYR B 75 5.024 -4.631 2.107 1.00 0.11 C ATOM 3459 O TYR B 75 5.336 -3.798 1.266 1.00 0.13 O ATOM 3460 CB TYR B 75 5.821 -7.004 1.841 1.00 0.16 C ATOM 3461 CG TYR B 75 5.871 -6.915 0.328 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.771 -6.477 -0.402 1.00 1.21 C ATOM 3463 CD2 TYR B 75 7.011 -7.291 -0.366 1.00 1.19 C ATOM 3464 CE1 TYR B 75 4.808 -6.410 -1.781 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.057 -7.226 -1.748 1.00 1.20 C ATOM 3466 CZ TYR B 75 5.953 -6.785 -2.450 1.00 0.22 C ATOM 3467 OH TYR B 75 5.995 -6.719 -3.823 1.00 0.26 O ATOM 0 H TYR B 75 5.618 -6.854 4.258 1.00 0.14 H new ATOM 0 HA TYR B 75 7.024 -5.294 2.376 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.585 -7.707 2.173 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.857 -7.421 2.132 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.872 -6.184 0.119 1.00 1.21 H new ATOM 0 HD2 TYR B 75 7.875 -7.640 0.180 1.00 1.19 H new ATOM 0 HE1 TYR B 75 3.945 -6.066 -2.332 1.00 1.22 H new ATOM 0 HE2 TYR B 75 7.953 -7.519 -2.275 1.00 1.20 H new ATOM 0 HH TYR B 75 5.085 -6.624 -4.174 1.00 0.26 H new ATOM 3477 N CYS B 76 3.824 -4.672 2.660 1.00 0.11 N ATOM 3478 CA CYS B 76 2.763 -3.798 2.214 1.00 0.12 C ATOM 3479 C CYS B 76 2.816 -2.438 2.902 1.00 0.12 C ATOM 3480 O CYS B 76 2.512 -1.420 2.288 1.00 0.13 O ATOM 3481 CB CYS B 76 1.414 -4.468 2.445 1.00 0.14 C ATOM 3482 SG CYS B 76 1.319 -6.154 1.802 1.00 0.22 S ATOM 0 H CYS B 76 3.564 -5.303 3.418 1.00 0.11 H new ATOM 0 HA CYS B 76 2.899 -3.619 1.147 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.205 -4.485 3.515 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.635 -3.866 1.977 1.00 0.14 H new ATOM 0 HG CYS B 76 2.109 -6.925 2.488 1.00 0.22 H new ATOM 3488 N VAL B 77 3.196 -2.406 4.172 1.00 0.13 N ATOM 3489 CA VAL B 77 3.380 -1.134 4.860 1.00 0.14 C ATOM 3490 C VAL B 77 4.572 -0.412 4.247 1.00 0.14 C ATOM 3491 O VAL B 77 4.645 0.811 4.241 1.00 0.19 O ATOM 3492 CB VAL B 77 3.568 -1.310 6.384 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.769 -2.177 6.673 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.703 0.031 7.086 1.00 0.20 C ATOM 0 H VAL B 77 3.381 -3.232 4.741 1.00 0.13 H new ATOM 0 HA VAL B 77 2.476 -0.539 4.731 1.00 0.14 H new ATOM 0 HB VAL B 77 2.677 -1.803 6.772 1.00 0.16 H new ATOM 0 HG11 VAL B 77 4.885 -2.290 7.751 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.628 -3.158 6.219 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.663 -1.711 6.258 1.00 0.14 H new ATOM 0 HG21 VAL B 77 3.834 -0.130 8.156 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.568 0.563 6.691 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.804 0.623 6.915 1.00 0.20 H new ATOM 3504 N PHE B 78 5.496 -1.206 3.727 1.00 0.11 N ATOM 3505 CA PHE B 78 6.552 -0.716 2.860 1.00 0.11 C ATOM 3506 C PHE B 78 5.951 0.074 1.707 1.00 0.11 C ATOM 3507 O PHE B 78 6.373 1.191 1.401 1.00 0.11 O ATOM 3508 CB PHE B 78 7.332 -1.913 2.319 1.00 0.12 C ATOM 3509 CG PHE B 78 8.136 -1.630 1.089 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.433 -1.179 1.199 1.00 1.17 C ATOM 3511 CD2 PHE B 78 7.591 -1.827 -0.174 1.00 1.18 C ATOM 3512 CE1 PHE B 78 10.187 -0.926 0.071 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.335 -1.574 -1.306 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.637 -1.122 -1.184 1.00 0.15 C ATOM 0 H PHE B 78 5.533 -2.211 3.896 1.00 0.11 H new ATOM 0 HA PHE B 78 7.219 -0.061 3.421 1.00 0.11 H new ATOM 0 HB2 PHE B 78 8.001 -2.276 3.099 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.630 -2.718 2.101 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.864 -1.022 2.177 1.00 1.17 H new ATOM 0 HD2 PHE B 78 6.575 -2.182 -0.269 1.00 1.18 H new ATOM 0 HE1 PHE B 78 11.204 -0.576 0.167 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.904 -1.728 -2.284 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.224 -0.922 -2.068 1.00 0.15 H new ATOM 3524 N LEU B 79 4.957 -0.528 1.080 1.00 0.14 N ATOM 3525 CA LEU B 79 4.291 0.067 -0.056 1.00 0.16 C ATOM 3526 C LEU B 79 3.570 1.339 0.330 1.00 0.17 C ATOM 3527 O LEU B 79 3.746 2.384 -0.298 1.00 0.20 O ATOM 3528 CB LEU B 79 3.305 -0.921 -0.663 1.00 0.15 C ATOM 3529 CG LEU B 79 3.913 -1.906 -1.648 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.687 -3.330 -1.199 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.304 -1.685 -3.002 1.00 0.14 C ATOM 0 H LEU B 79 4.592 -1.442 1.346 1.00 0.14 H new ATOM 0 HA LEU B 79 5.053 0.319 -0.794 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.831 -1.481 0.143 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.518 -0.362 -1.169 1.00 0.15 H new ATOM 0 HG LEU B 79 4.989 -1.740 -1.697 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.132 -4.014 -1.921 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.149 -3.482 -0.223 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.617 -3.523 -1.128 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.735 -2.388 -3.714 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.227 -1.840 -2.946 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.507 -0.666 -3.330 1.00 0.14 H new ATOM 3543 N SER B 80 2.772 1.255 1.373 1.00 0.19 N ATOM 3544 CA SER B 80 2.016 2.397 1.825 1.00 0.21 C ATOM 3545 C SER B 80 2.938 3.478 2.330 1.00 0.20 C ATOM 3546 O SER B 80 2.619 4.659 2.253 1.00 0.24 O ATOM 3547 CB SER B 80 1.037 1.973 2.893 1.00 0.22 C ATOM 3548 OG SER B 80 1.553 0.906 3.664 1.00 0.18 O ATOM 0 H SER B 80 2.632 0.407 1.922 1.00 0.19 H new ATOM 0 HA SER B 80 1.455 2.807 0.985 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.814 2.820 3.542 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.098 1.670 2.430 1.00 0.22 H new ATOM 0 HG SER B 80 0.812 0.385 4.038 1.00 0.18 H new ATOM 3554 N CYS B 81 4.086 3.069 2.842 1.00 0.17 N ATOM 3555 CA CYS B 81 5.130 4.003 3.170 1.00 0.18 C ATOM 3556 C CYS B 81 5.489 4.809 1.943 1.00 0.33 C ATOM 3557 O CYS B 81 5.463 6.022 1.988 1.00 0.72 O ATOM 3558 CB CYS B 81 6.375 3.298 3.683 1.00 0.30 C ATOM 3559 SG CYS B 81 7.852 4.326 3.570 1.00 1.83 S ATOM 0 H CYS B 81 4.312 2.094 3.037 1.00 0.17 H new ATOM 0 HA CYS B 81 4.758 4.655 3.960 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.220 3.005 4.721 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.530 2.382 3.113 1.00 0.30 H new ATOM 0 HG CYS B 81 7.515 5.579 3.645 1.00 1.83 H new ATOM 3565 N ILE B 82 5.803 4.127 0.846 1.00 0.17 N ATOM 3566 CA ILE B 82 6.193 4.807 -0.378 1.00 0.19 C ATOM 3567 C ILE B 82 5.074 5.718 -0.873 1.00 0.21 C ATOM 3568 O ILE B 82 5.295 6.897 -1.133 1.00 0.28 O ATOM 3569 CB ILE B 82 6.582 3.825 -1.506 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.718 2.911 -1.050 1.00 0.24 C ATOM 3571 CG2 ILE B 82 7.005 4.603 -2.742 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.515 2.324 -2.197 1.00 0.41 C ATOM 0 H ILE B 82 5.794 3.109 0.782 1.00 0.17 H new ATOM 0 HA ILE B 82 7.073 5.401 -0.129 1.00 0.19 H new ATOM 0 HB ILE B 82 5.717 3.208 -1.748 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.389 3.474 -0.401 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.304 2.099 -0.452 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.278 3.906 -3.535 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.179 5.229 -3.078 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.862 5.232 -2.500 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.305 1.685 -1.802 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.856 1.734 -2.834 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.958 3.130 -2.782 1.00 0.41 H new ATOM 3584 N ALA B 83 3.873 5.172 -0.972 1.00 0.26 N ATOM 3585 CA ALA B 83 2.730 5.937 -1.451 1.00 0.32 C ATOM 3586 C ALA B 83 2.468 7.149 -0.565 1.00 0.32 C ATOM 3587 O ALA B 83 2.193 8.243 -1.053 1.00 0.35 O ATOM 3588 CB ALA B 83 1.501 5.050 -1.512 1.00 0.42 C ATOM 0 H ALA B 83 3.663 4.204 -0.728 1.00 0.26 H new ATOM 0 HA ALA B 83 2.957 6.300 -2.453 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.651 5.630 -1.871 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.686 4.218 -2.192 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.282 4.663 -0.517 1.00 0.42 H new ATOM 3594 N MET B 84 2.580 6.954 0.738 1.00 0.33 N ATOM 3595 CA MET B 84 2.344 8.019 1.700 1.00 0.36 C ATOM 3596 C MET B 84 3.525 8.965 1.777 1.00 0.36 C ATOM 3597 O MET B 84 3.360 10.157 2.018 1.00 0.48 O ATOM 3598 CB MET B 84 2.044 7.423 3.063 1.00 0.38 C ATOM 3599 CG MET B 84 1.846 8.443 4.162 1.00 0.44 C ATOM 3600 SD MET B 84 1.573 7.639 5.743 1.00 0.38 S ATOM 3601 CE MET B 84 2.803 6.346 5.616 1.00 0.22 C ATOM 0 H MET B 84 2.835 6.060 1.157 1.00 0.33 H new ATOM 0 HA MET B 84 1.483 8.598 1.367 1.00 0.36 H new ATOM 0 HB2 MET B 84 1.146 6.809 2.988 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.862 6.759 3.343 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.721 9.090 4.225 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.995 9.081 3.922 1.00 0.44 H new ATOM 0 HE1 MET B 84 3.076 6.004 6.614 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.396 5.511 5.045 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.688 6.734 5.111 1.00 0.22 H new ATOM 3611 N MET B 85 4.706 8.428 1.557 1.00 0.28 N ATOM 3612 CA MET B 85 5.914 9.218 1.506 1.00 0.29 C ATOM 3613 C MET B 85 5.879 10.127 0.271 1.00 0.34 C ATOM 3614 O MET B 85 6.605 11.108 0.169 1.00 0.48 O ATOM 3615 CB MET B 85 7.110 8.287 1.464 1.00 0.28 C ATOM 3616 CG MET B 85 8.387 8.961 1.899 1.00 0.32 C ATOM 3617 SD MET B 85 9.817 8.435 0.935 1.00 0.29 S ATOM 3618 CE MET B 85 9.807 6.703 1.352 1.00 0.25 C ATOM 0 H MET B 85 4.854 7.430 1.408 1.00 0.28 H new ATOM 0 HA MET B 85 5.992 9.849 2.391 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.920 7.428 2.108 1.00 0.28 H new ATOM 0 HB3 MET B 85 7.233 7.905 0.451 1.00 0.28 H new ATOM 0 HG2 MET B 85 8.271 10.041 1.809 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.566 8.746 2.953 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.818 6.304 1.273 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.445 6.577 2.372 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.151 6.167 0.666 1.00 0.25 H new ATOM 3628 N CYS B 86 5.016 9.766 -0.668 1.00 0.31 N ATOM 3629 CA CYS B 86 4.798 10.544 -1.880 1.00 0.34 C ATOM 3630 C CYS B 86 3.860 11.723 -1.621 1.00 0.39 C ATOM 3631 O CYS B 86 3.904 12.735 -2.326 1.00 0.46 O ATOM 3632 CB CYS B 86 4.213 9.631 -2.962 1.00 0.39 C ATOM 3633 SG CYS B 86 3.662 10.480 -4.454 1.00 0.94 S ATOM 0 H CYS B 86 4.445 8.923 -0.611 1.00 0.31 H new ATOM 0 HA CYS B 86 5.753 10.949 -2.213 1.00 0.34 H new ATOM 0 HB2 CYS B 86 4.965 8.892 -3.239 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.369 9.085 -2.539 1.00 0.39 H new ATOM 0 HG CYS B 86 3.388 9.605 -5.375 1.00 0.94 H new ATOM 3639 N ASN B 87 3.033 11.589 -0.592 1.00 0.45 N ATOM 3640 CA ASN B 87 1.996 12.571 -0.275 1.00 0.58 C ATOM 3641 C ASN B 87 2.565 13.972 -0.123 1.00 0.68 C ATOM 3642 O ASN B 87 2.066 14.930 -0.714 1.00 0.89 O ATOM 3643 CB ASN B 87 1.290 12.161 1.020 1.00 0.72 C ATOM 3644 CG ASN B 87 0.241 13.155 1.484 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.428 13.801 0.680 1.00 1.72 O ATOM 3646 ND2 ASN B 87 0.100 13.284 2.793 1.00 1.77 N ATOM 0 H ASN B 87 3.060 10.796 0.049 1.00 0.45 H new ATOM 0 HA ASN B 87 1.289 12.591 -1.104 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.818 11.189 0.874 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.035 12.039 1.806 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -0.585 13.939 3.170 1.00 1.77 H new ATOM 0 HD22 ASN B 87 0.676 12.728 3.425 1.00 1.77 H new ATOM 3653 N GLU B 88 3.626 14.081 0.650 1.00 0.70 N ATOM 3654 CA GLU B 88 4.189 15.373 0.987 1.00 0.89 C ATOM 3655 C GLU B 88 4.722 16.096 -0.247 1.00 0.86 C ATOM 3656 O GLU B 88 4.580 17.312 -0.372 1.00 1.06 O ATOM 3657 CB GLU B 88 5.287 15.194 2.027 1.00 1.03 C ATOM 3658 CG GLU B 88 4.827 14.396 3.237 1.00 1.51 C ATOM 3659 CD GLU B 88 5.412 12.998 3.280 1.00 1.72 C ATOM 3660 OE1 GLU B 88 6.492 12.784 2.692 1.00 2.33 O ATOM 3661 OE2 GLU B 88 4.788 12.110 3.901 1.00 1.98 O ATOM 0 H GLU B 88 4.118 13.286 1.059 1.00 0.70 H new ATOM 0 HA GLU B 88 3.397 15.995 1.403 1.00 0.89 H new ATOM 0 HB2 GLU B 88 6.138 14.691 1.568 1.00 1.03 H new ATOM 0 HB3 GLU B 88 5.635 16.174 2.354 1.00 1.03 H new ATOM 0 HG2 GLU B 88 5.107 14.929 4.145 1.00 1.51 H new ATOM 0 HG3 GLU B 88 3.739 14.329 3.229 1.00 1.51 H new ATOM 3668 N PHE B 89 5.315 15.348 -1.164 1.00 0.69 N ATOM 3669 CA PHE B 89 5.906 15.941 -2.358 1.00 0.71 C ATOM 3670 C PHE B 89 4.925 16.022 -3.526 1.00 0.73 C ATOM 3671 O PHE B 89 4.624 17.112 -4.010 1.00 0.88 O ATOM 3672 CB PHE B 89 7.157 15.170 -2.771 1.00 0.69 C ATOM 3673 CG PHE B 89 8.352 15.490 -1.918 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.475 14.960 -0.646 1.00 1.53 C ATOM 3675 CD2 PHE B 89 9.347 16.329 -2.388 1.00 1.65 C ATOM 3676 CE1 PHE B 89 9.570 15.262 0.142 1.00 1.89 C ATOM 3677 CE2 PHE B 89 10.444 16.634 -1.606 1.00 1.99 C ATOM 3678 CZ PHE B 89 10.556 16.100 -0.339 1.00 1.81 C ATOM 0 H PHE B 89 5.401 14.333 -1.107 1.00 0.69 H new ATOM 0 HA PHE B 89 6.178 16.965 -2.100 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.953 14.101 -2.715 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.389 15.396 -3.812 1.00 0.69 H new ATOM 0 HD1 PHE B 89 7.707 14.303 -0.264 1.00 1.53 H new ATOM 0 HD2 PHE B 89 9.265 16.751 -3.379 1.00 1.65 H new ATOM 0 HE1 PHE B 89 9.654 14.842 1.134 1.00 1.89 H new ATOM 0 HE2 PHE B 89 11.213 17.290 -1.986 1.00 1.99 H new ATOM 0 HZ PHE B 89 11.412 16.337 0.275 1.00 1.81 H new ATOM 3688 N PHE B 90 4.420 14.881 -3.970 1.00 0.63 N ATOM 3689 CA PHE B 90 3.632 14.829 -5.196 1.00 0.66 C ATOM 3690 C PHE B 90 2.210 15.327 -4.962 1.00 0.69 C ATOM 3691 O PHE B 90 1.650 16.043 -5.793 1.00 0.83 O ATOM 3692 CB PHE B 90 3.622 13.404 -5.748 1.00 0.69 C ATOM 3693 CG PHE B 90 2.983 13.273 -7.103 1.00 0.95 C ATOM 3694 CD1 PHE B 90 3.235 14.206 -8.096 1.00 1.44 C ATOM 3695 CD2 PHE B 90 2.134 12.215 -7.383 1.00 1.79 C ATOM 3696 CE1 PHE B 90 2.651 14.088 -9.342 1.00 1.68 C ATOM 3697 CE2 PHE B 90 1.550 12.091 -8.628 1.00 2.09 C ATOM 3698 CZ PHE B 90 1.808 13.028 -9.608 1.00 1.67 C ATOM 0 H PHE B 90 4.540 13.982 -3.504 1.00 0.63 H new ATOM 0 HA PHE B 90 4.094 15.490 -5.929 1.00 0.66 H new ATOM 0 HB2 PHE B 90 4.648 13.041 -5.806 1.00 0.69 H new ATOM 0 HB3 PHE B 90 3.095 12.758 -5.046 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.896 15.036 -7.893 1.00 1.44 H new ATOM 0 HD2 PHE B 90 1.927 11.480 -6.620 1.00 1.79 H new ATOM 0 HE1 PHE B 90 2.854 14.824 -10.106 1.00 1.68 H new ATOM 0 HE2 PHE B 90 0.891 11.261 -8.835 1.00 2.09 H new ATOM 0 HZ PHE B 90 1.351 12.932 -10.582 1.00 1.67 H new