USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 971 ASN :FLIP amide:sc= -0.613 F(o=-4.7!,f=-3.2) USER MOD Set 1.2: A 994 HIS : no HD1:sc= -2.62 K(o=-3.2,f=-4.1!) USER MOD Set 2.1: A 987 THR OG1 : rot 180:sc= -0.373 USER MOD Set 2.2: A1000 SER OG : rot 69:sc= 0.0179 USER MOD Set 3.1: A 978 THR OG1 : rot 110:sc= 1.04 USER MOD Set 3.2: A 984 SER OG : rot -10:sc= 0.895 USER MOD Set 4.1: A 973 MET CE :methyl -130:sc= -2.35! (180deg=-0.821) USER MOD Set 4.2: A 975 HIS : no HD1:sc= 0.0902 X(o=-2.3,f=-2.8) USER MOD Set 4.3: A 989 SER OG : rot -137:sc= -0.0705 USER MOD Single : A 901 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-4.9!) USER MOD Single : A 903 GLN :FLIP amide:sc= -0.645 F(o=-3.1!,f=-0.65) USER MOD Single : A 907 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-5.4!) USER MOD Single : A 912 LYS NZ :NH3+ -164:sc= -0.0356 (180deg=-0.34) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot -166:sc= -0.411 USER MOD Single : A 916 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 917 THR OG1 : rot -137:sc= 0.671 USER MOD Single : A 918 THR OG1 : rot 180:sc= 0 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot -134:sc= -1.5 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 929 LYS NZ :NH3+ 171:sc= -0.0113 (180deg=-0.117) USER MOD Single : A 930 TYR OH : rot 0:sc= -0.75 USER MOD Single : A 936 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot 32:sc= 0.16 USER MOD Single : A 944 THR OG1 : rot 180:sc= -1 USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 167:sc= -0.0409 (180deg=-0.249) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ 141:sc= -5.46! (180deg=-7.79!) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ -166:sc= -0.0263 (180deg=-0.289) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 981 GLN :FLIP amide:sc= -1.91 F(o=-3.1!,f=-1.9) USER MOD Single : A 988 TYR OH : rot 53:sc= -1.23 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 999 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-5.2!) USER MOD Single : A1001 SER OG : rot 180:sc= 0 USER MOD Single : A1007 SER OG : rot -161:sc= -0.795 USER MOD Single : A1009 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 THR OG1 : rot 180:sc= -0.0968 USER MOD Single : A1012 HIS : no HE2:sc= -9.63! C(o=-9.6!,f=-12!) USER MOD Single : A1014 SER OG : rot 160:sc= -0.464 USER MOD Single : A1015 THR OG1 : rot -135:sc= -1.53! USER MOD Single : A1016 LYS NZ :NH3+ -165:sc= -0.0262 (180deg=-0.298) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 36.021 -6.846 -4.848 1.00 0.00 N ATOM 44 CA ALA A 900 34.675 -7.123 -4.352 1.00 0.00 C ATOM 45 C ALA A 900 33.889 -5.840 -4.111 1.00 0.00 C ATOM 46 O ALA A 900 34.291 -4.992 -3.316 1.00 0.00 O ATOM 47 CB ALA A 900 34.734 -7.942 -3.073 1.00 0.00 C ATOM 0 HA ALA A 900 34.158 -7.697 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 900 33.722 -8.138 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 900 35.239 -8.888 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.284 -7.389 -2.312 1.00 0.00 H new ATOM 53 N HIS A 901 32.755 -5.719 -4.795 1.00 0.00 N ATOM 54 CA HIS A 901 31.889 -4.554 -4.662 1.00 0.00 C ATOM 55 C HIS A 901 30.454 -4.914 -5.035 1.00 0.00 C ATOM 56 O HIS A 901 30.224 -5.675 -5.976 1.00 0.00 O ATOM 57 CB HIS A 901 32.374 -3.405 -5.555 1.00 0.00 C ATOM 58 CG HIS A 901 33.741 -2.896 -5.214 1.00 0.00 C ATOM 59 ND1 HIS A 901 34.899 -3.586 -5.513 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.133 -1.764 -4.585 1.00 0.00 C ATOM 61 CE1 HIS A 901 35.942 -2.899 -5.081 1.00 0.00 C ATOM 62 NE2 HIS A 901 35.504 -1.790 -4.515 1.00 0.00 N ATOM 0 H HIS A 901 32.413 -6.420 -5.452 1.00 0.00 H new ATOM 0 HA HIS A 901 31.923 -4.230 -3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 901 32.372 -3.740 -6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 901 31.664 -2.581 -5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 901 33.487 -0.985 -4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 901 36.976 -3.195 -5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 901 36.089 -1.069 -4.094 1.00 0.00 H new ATOM 71 N CYS A 902 29.492 -4.366 -4.300 1.00 0.00 N ATOM 72 CA CYS A 902 28.084 -4.638 -4.568 1.00 0.00 C ATOM 73 C CYS A 902 27.574 -3.776 -5.711 1.00 0.00 C ATOM 74 O CYS A 902 27.726 -2.554 -5.695 1.00 0.00 O ATOM 75 CB CYS A 902 27.230 -4.372 -3.326 1.00 0.00 C ATOM 76 SG CYS A 902 27.530 -5.512 -1.940 1.00 0.00 S ATOM 0 H CYS A 902 29.660 -3.734 -3.518 1.00 0.00 H new ATOM 0 HA CYS A 902 28.003 -5.689 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.414 -3.353 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 902 26.178 -4.430 -3.606 1.00 0.00 H new ATOM 81 N GLN A 903 26.956 -4.413 -6.697 1.00 0.00 N ATOM 82 CA GLN A 903 26.411 -3.690 -7.833 1.00 0.00 C ATOM 83 C GLN A 903 25.232 -2.840 -7.396 1.00 0.00 C ATOM 84 O GLN A 903 24.764 -2.945 -6.258 1.00 0.00 O ATOM 85 CB GLN A 903 25.971 -4.652 -8.938 1.00 0.00 C ATOM 86 CG GLN A 903 27.096 -5.511 -9.490 1.00 0.00 C ATOM 87 CD GLN A 903 28.173 -4.708 -10.203 1.00 0.00 C ATOM 88 OE1 GLN A 903 27.947 -3.408 -10.370 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 29.197 -5.256 -10.612 1.00 0.00 N flip ATOM 0 H GLN A 903 26.821 -5.423 -6.731 1.00 0.00 H new ATOM 0 HA GLN A 903 27.196 -3.045 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 903 25.188 -5.302 -8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 903 25.532 -4.077 -9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 903 27.551 -6.070 -8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 903 26.679 -6.242 -10.183 1.00 0.00 H new ATOM 0 HE21 GLN A 903 29.334 -6.256 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 903 29.908 -4.710 -11.098 1.00 0.00 H new ATOM 98 N ALA A 904 24.757 -2.001 -8.306 1.00 0.00 N ATOM 99 CA ALA A 904 23.628 -1.125 -8.031 1.00 0.00 C ATOM 100 C ALA A 904 22.530 -1.870 -7.279 1.00 0.00 C ATOM 101 O ALA A 904 22.160 -2.982 -7.654 1.00 0.00 O ATOM 102 CB ALA A 904 23.091 -0.553 -9.332 1.00 0.00 C ATOM 0 H ALA A 904 25.139 -1.909 -9.247 1.00 0.00 H new ATOM 0 HA ALA A 904 23.969 -0.306 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 904 22.246 0.102 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 904 23.876 0.017 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 904 22.766 -1.367 -9.980 1.00 0.00 H new ATOM 108 N PRO A 905 22.007 -1.269 -6.197 1.00 0.00 N ATOM 109 CA PRO A 905 20.951 -1.873 -5.374 1.00 0.00 C ATOM 110 C PRO A 905 19.615 -1.958 -6.105 1.00 0.00 C ATOM 111 O PRO A 905 18.636 -1.341 -5.685 1.00 0.00 O ATOM 112 CB PRO A 905 20.837 -0.930 -4.167 1.00 0.00 C ATOM 113 CG PRO A 905 22.043 -0.053 -4.227 1.00 0.00 C ATOM 114 CD PRO A 905 22.408 0.046 -5.676 1.00 0.00 C ATOM 0 HA PRO A 905 21.196 -2.900 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 905 19.921 -0.341 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 905 20.806 -1.491 -3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 905 21.831 0.931 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 905 22.863 -0.476 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 905 21.878 0.858 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.474 0.229 -5.814 1.00 0.00 H new ATOM 122 N ASP A 906 19.583 -2.729 -7.194 1.00 0.00 N ATOM 123 CA ASP A 906 18.371 -2.904 -7.989 1.00 0.00 C ATOM 124 C ASP A 906 17.540 -1.623 -7.997 1.00 0.00 C ATOM 125 O ASP A 906 18.077 -0.526 -8.151 1.00 0.00 O ATOM 126 CB ASP A 906 17.567 -4.082 -7.435 1.00 0.00 C ATOM 127 CG ASP A 906 16.447 -4.522 -8.361 1.00 0.00 C ATOM 128 OD1 ASP A 906 16.310 -3.931 -9.453 1.00 0.00 O ATOM 129 OD2 ASP A 906 15.708 -5.462 -7.995 1.00 0.00 O ATOM 0 H ASP A 906 20.390 -3.244 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 906 18.645 -3.120 -9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 906 18.238 -4.923 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 906 17.145 -3.805 -6.469 1.00 0.00 H new ATOM 134 N HIS A 907 16.237 -1.769 -7.822 1.00 0.00 N ATOM 135 CA HIS A 907 15.325 -0.631 -7.799 1.00 0.00 C ATOM 136 C HIS A 907 14.103 -0.961 -6.952 1.00 0.00 C ATOM 137 O HIS A 907 13.365 -1.901 -7.249 1.00 0.00 O ATOM 138 CB HIS A 907 14.873 -0.257 -9.217 1.00 0.00 C ATOM 139 CG HIS A 907 15.987 0.129 -10.143 1.00 0.00 C ATOM 140 ND1 HIS A 907 16.942 -0.762 -10.586 1.00 0.00 N ATOM 141 CD2 HIS A 907 16.296 1.320 -10.708 1.00 0.00 C ATOM 142 CE1 HIS A 907 17.790 -0.136 -11.383 1.00 0.00 C ATOM 143 NE2 HIS A 907 17.420 1.128 -11.474 1.00 0.00 N ATOM 0 H HIS A 907 15.781 -2.672 -7.692 1.00 0.00 H new ATOM 0 HA HIS A 907 15.856 0.217 -7.367 1.00 0.00 H new ATOM 0 HB2 HIS A 907 14.335 -1.102 -9.648 1.00 0.00 H new ATOM 0 HB3 HIS A 907 14.167 0.571 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 907 15.759 2.248 -10.580 1.00 0.00 H new ATOM 0 HE1 HIS A 907 18.641 -0.582 -11.876 1.00 0.00 H new ATOM 0 HE2 HIS A 907 17.892 1.846 -12.024 1.00 0.00 H new ATOM 152 N PHE A 908 13.900 -0.187 -5.891 1.00 0.00 N ATOM 153 CA PHE A 908 12.773 -0.405 -4.995 1.00 0.00 C ATOM 154 C PHE A 908 11.519 0.289 -5.503 1.00 0.00 C ATOM 155 O PHE A 908 11.563 1.433 -5.955 1.00 0.00 O ATOM 156 CB PHE A 908 13.104 0.076 -3.583 1.00 0.00 C ATOM 157 CG PHE A 908 14.209 -0.704 -2.930 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.499 -0.659 -3.430 1.00 0.00 C ATOM 159 CD2 PHE A 908 13.953 -1.479 -1.812 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.516 -1.375 -2.826 1.00 0.00 C ATOM 161 CE2 PHE A 908 14.965 -2.197 -1.203 1.00 0.00 C ATOM 162 CZ PHE A 908 16.248 -2.145 -1.711 1.00 0.00 C ATOM 0 H PHE A 908 14.501 0.595 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 908 12.580 -1.477 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 908 13.386 1.128 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.208 0.009 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.713 -0.058 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 908 12.951 -1.523 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.519 -1.332 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 908 14.753 -2.798 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.040 -2.705 -1.237 1.00 0.00 H new ATOM 172 N LEU A 909 10.401 -0.419 -5.423 1.00 0.00 N ATOM 173 CA LEU A 909 9.121 0.110 -5.870 1.00 0.00 C ATOM 174 C LEU A 909 8.469 0.930 -4.775 1.00 0.00 C ATOM 175 O LEU A 909 8.066 2.067 -4.993 1.00 0.00 O ATOM 176 CB LEU A 909 8.190 -1.027 -6.267 1.00 0.00 C ATOM 177 CG LEU A 909 8.710 -1.938 -7.374 1.00 0.00 C ATOM 178 CD1 LEU A 909 9.067 -1.132 -8.613 1.00 0.00 C ATOM 179 CD2 LEU A 909 9.901 -2.756 -6.898 1.00 0.00 C ATOM 0 H LEU A 909 10.355 -1.367 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 909 9.303 0.749 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 909 7.988 -1.634 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 909 7.239 -0.601 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 909 7.913 -2.633 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.436 -1.802 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.181 -0.610 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 909 9.840 -0.405 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.250 -3.396 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 909 10.705 -2.085 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 909 9.603 -3.374 -6.051 1.00 0.00 H new ATOM 191 N PHE A 910 8.369 0.335 -3.594 1.00 0.00 N ATOM 192 CA PHE A 910 7.771 1.004 -2.452 1.00 0.00 C ATOM 193 C PHE A 910 8.813 1.839 -1.724 1.00 0.00 C ATOM 194 O PHE A 910 8.605 2.253 -0.583 1.00 0.00 O ATOM 195 CB PHE A 910 7.151 -0.025 -1.502 1.00 0.00 C ATOM 196 CG PHE A 910 8.043 -1.200 -1.192 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.360 -1.016 -0.796 1.00 0.00 C ATOM 198 CD2 PHE A 910 7.557 -2.494 -1.298 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.172 -2.098 -0.513 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.365 -3.579 -1.015 1.00 0.00 C ATOM 201 CZ PHE A 910 9.673 -3.380 -0.622 1.00 0.00 C ATOM 0 H PHE A 910 8.696 -0.612 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 910 6.983 1.668 -2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 910 6.887 0.472 -0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.223 -0.394 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 910 9.755 -0.015 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 910 6.534 -2.656 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.196 -1.940 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 910 7.973 -4.582 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 910 10.305 -4.227 -0.400 1.00 0.00 H new ATOM 211 N ALA A 911 9.942 2.072 -2.386 1.00 0.00 N ATOM 212 CA ALA A 911 11.022 2.853 -1.778 1.00 0.00 C ATOM 213 C ALA A 911 11.896 3.543 -2.820 1.00 0.00 C ATOM 214 O ALA A 911 11.979 3.102 -3.966 1.00 0.00 O ATOM 215 CB ALA A 911 11.870 1.962 -0.887 1.00 0.00 C ATOM 0 H ALA A 911 10.135 1.738 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 911 10.559 3.636 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.670 2.551 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.248 1.537 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.301 1.157 -1.482 1.00 0.00 H new ATOM 221 N LYS A 912 12.552 4.629 -2.409 1.00 0.00 N ATOM 222 CA LYS A 912 13.428 5.381 -3.307 1.00 0.00 C ATOM 223 C LYS A 912 14.739 5.774 -2.625 1.00 0.00 C ATOM 224 O LYS A 912 14.743 6.270 -1.497 1.00 0.00 O ATOM 225 CB LYS A 912 12.728 6.644 -3.812 1.00 0.00 C ATOM 226 CG LYS A 912 11.554 6.377 -4.738 1.00 0.00 C ATOM 227 CD LYS A 912 10.940 7.677 -5.234 1.00 0.00 C ATOM 228 CE LYS A 912 9.806 7.425 -6.213 1.00 0.00 C ATOM 229 NZ LYS A 912 10.262 6.664 -7.409 1.00 0.00 N ATOM 0 H LYS A 912 12.493 5.006 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 912 13.657 4.726 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 912 12.377 7.219 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 912 13.455 7.264 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.886 5.781 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 912 10.799 5.792 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 912 10.567 8.251 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 912 11.708 8.282 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 912 9.011 6.872 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 912 9.381 8.378 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 9.551 6.744 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 11.167 7.052 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 10.387 5.663 -7.157 1.00 0.00 H new ATOM 243 N LEU A 913 15.846 5.561 -3.339 1.00 0.00 N ATOM 244 CA LEU A 913 17.181 5.901 -2.844 1.00 0.00 C ATOM 245 C LEU A 913 17.196 7.333 -2.309 1.00 0.00 C ATOM 246 O LEU A 913 16.440 8.182 -2.782 1.00 0.00 O ATOM 247 CB LEU A 913 18.205 5.730 -3.980 1.00 0.00 C ATOM 248 CG LEU A 913 19.689 5.800 -3.584 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.130 7.233 -3.336 1.00 0.00 C ATOM 250 CD2 LEU A 913 19.970 4.926 -2.373 1.00 0.00 C ATOM 0 H LEU A 913 15.843 5.150 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 913 17.448 5.232 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.025 4.768 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.015 6.499 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 913 20.273 5.416 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.184 7.246 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.986 7.820 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.536 7.662 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.026 4.993 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 913 19.367 5.266 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.718 3.891 -2.605 1.00 0.00 H new ATOM 262 N LYS A 914 18.044 7.601 -1.317 1.00 0.00 N ATOM 263 CA LYS A 914 18.118 8.938 -0.732 1.00 0.00 C ATOM 264 C LYS A 914 19.547 9.328 -0.353 1.00 0.00 C ATOM 265 O LYS A 914 19.921 10.494 -0.467 1.00 0.00 O ATOM 266 CB LYS A 914 17.219 9.022 0.501 1.00 0.00 C ATOM 267 CG LYS A 914 15.739 8.914 0.175 1.00 0.00 C ATOM 268 CD LYS A 914 15.242 10.125 -0.601 1.00 0.00 C ATOM 269 CE LYS A 914 15.375 11.405 0.209 1.00 0.00 C ATOM 270 NZ LYS A 914 14.880 12.592 -0.540 1.00 0.00 N ATOM 0 H LYS A 914 18.682 6.919 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 914 17.775 9.640 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 914 17.490 8.226 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 914 17.403 9.967 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.560 8.010 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 914 15.169 8.815 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.807 10.220 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 914 14.198 9.976 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 914 14.817 11.305 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 914 16.420 11.556 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 14.989 13.443 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 15.429 12.704 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 13.876 12.460 -0.776 1.00 0.00 H new ATOM 284 N THR A 915 20.334 8.360 0.110 1.00 0.00 N ATOM 285 CA THR A 915 21.717 8.620 0.515 1.00 0.00 C ATOM 286 C THR A 915 22.620 8.935 -0.683 1.00 0.00 C ATOM 287 O THR A 915 23.546 8.182 -0.985 1.00 0.00 O ATOM 288 CB THR A 915 22.307 7.431 1.300 1.00 0.00 C ATOM 289 OG1 THR A 915 21.473 7.129 2.423 1.00 0.00 O ATOM 290 CG2 THR A 915 23.715 7.743 1.792 1.00 0.00 C ATOM 0 H THR A 915 20.040 7.389 0.215 1.00 0.00 H new ATOM 0 HA THR A 915 21.685 9.496 1.162 1.00 0.00 H new ATOM 0 HB THR A 915 22.353 6.573 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.953 6.534 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.106 6.887 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.361 7.952 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.687 8.613 2.447 1.00 0.00 H new ATOM 298 N GLN A 916 22.346 10.058 -1.353 1.00 0.00 N ATOM 299 CA GLN A 916 23.133 10.494 -2.512 1.00 0.00 C ATOM 300 C GLN A 916 23.574 9.317 -3.376 1.00 0.00 C ATOM 301 O GLN A 916 22.876 8.310 -3.464 1.00 0.00 O ATOM 302 CB GLN A 916 24.356 11.298 -2.049 1.00 0.00 C ATOM 303 CG GLN A 916 25.292 10.523 -1.136 1.00 0.00 C ATOM 304 CD GLN A 916 26.531 11.311 -0.762 1.00 0.00 C ATOM 305 OE1 GLN A 916 26.441 12.406 -0.206 1.00 0.00 O ATOM 306 NE2 GLN A 916 27.699 10.752 -1.059 1.00 0.00 N ATOM 0 H GLN A 916 21.580 10.686 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 916 22.493 11.129 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 916 24.912 11.632 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 916 24.015 12.193 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 916 24.757 10.242 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 916 25.590 9.598 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 916 27.727 9.843 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 916 28.568 11.232 -0.826 1.00 0.00 H new ATOM 315 N THR A 917 24.743 9.473 -4.000 1.00 0.00 N ATOM 316 CA THR A 917 25.349 8.455 -4.870 1.00 0.00 C ATOM 317 C THR A 917 24.387 7.931 -5.938 1.00 0.00 C ATOM 318 O THR A 917 23.206 7.702 -5.684 1.00 0.00 O ATOM 319 CB THR A 917 25.927 7.264 -4.070 1.00 0.00 C ATOM 320 OG1 THR A 917 26.649 6.395 -4.949 1.00 0.00 O ATOM 321 CG2 THR A 917 24.834 6.469 -3.370 1.00 0.00 C ATOM 0 H THR A 917 25.305 10.320 -3.916 1.00 0.00 H new ATOM 0 HA THR A 917 26.167 8.970 -5.374 1.00 0.00 H new ATOM 0 HB THR A 917 26.593 7.671 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 917 26.429 5.463 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 917 25.282 5.642 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 917 24.299 7.118 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 917 24.138 6.077 -4.111 1.00 0.00 H new ATOM 329 N THR A 918 24.918 7.731 -7.141 1.00 0.00 N ATOM 330 CA THR A 918 24.128 7.222 -8.257 1.00 0.00 C ATOM 331 C THR A 918 24.980 6.338 -9.161 1.00 0.00 C ATOM 332 O THR A 918 24.601 6.039 -10.294 1.00 0.00 O ATOM 333 CB THR A 918 23.530 8.367 -9.098 1.00 0.00 C ATOM 334 OG1 THR A 918 24.579 9.203 -9.603 1.00 0.00 O ATOM 335 CG2 THR A 918 22.562 9.203 -8.275 1.00 0.00 C ATOM 0 H THR A 918 25.895 7.915 -7.368 1.00 0.00 H new ATOM 0 HA THR A 918 23.314 6.637 -7.830 1.00 0.00 H new ATOM 0 HB THR A 918 22.982 7.925 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 918 24.191 9.927 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 918 22.156 10.003 -8.894 1.00 0.00 H new ATOM 0 HG22 THR A 918 21.749 8.571 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 918 23.087 9.634 -7.423 1.00 0.00 H new ATOM 343 N ALA A 919 26.131 5.917 -8.645 1.00 0.00 N ATOM 344 CA ALA A 919 27.043 5.059 -9.392 1.00 0.00 C ATOM 345 C ALA A 919 26.512 3.632 -9.463 1.00 0.00 C ATOM 346 O ALA A 919 25.492 3.310 -8.852 1.00 0.00 O ATOM 347 CB ALA A 919 28.426 5.080 -8.761 1.00 0.00 C ATOM 0 H ALA A 919 26.455 6.158 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 919 27.117 5.445 -10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 919 29.095 4.435 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 919 28.813 6.099 -8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 919 28.363 4.721 -7.734 1.00 0.00 H new ATOM 353 N SER A 920 27.207 2.779 -10.208 1.00 0.00 N ATOM 354 CA SER A 920 26.802 1.386 -10.349 1.00 0.00 C ATOM 355 C SER A 920 27.435 0.517 -9.266 1.00 0.00 C ATOM 356 O SER A 920 26.746 -0.234 -8.576 1.00 0.00 O ATOM 357 CB SER A 920 27.185 0.858 -11.727 1.00 0.00 C ATOM 358 OG SER A 920 26.800 -0.496 -11.883 1.00 0.00 O ATOM 0 H SER A 920 28.052 3.028 -10.722 1.00 0.00 H new ATOM 0 HA SER A 920 25.719 1.340 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 920 26.709 1.465 -12.497 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.262 0.951 -11.868 1.00 0.00 H new ATOM 0 HG SER A 920 27.056 -0.808 -12.776 1.00 0.00 H new ATOM 364 N ASP A 921 28.753 0.624 -9.124 1.00 0.00 N ATOM 365 CA ASP A 921 29.485 -0.151 -8.126 1.00 0.00 C ATOM 366 C ASP A 921 29.477 0.545 -6.769 1.00 0.00 C ATOM 367 O ASP A 921 29.513 1.773 -6.691 1.00 0.00 O ATOM 368 CB ASP A 921 30.926 -0.381 -8.585 1.00 0.00 C ATOM 369 CG ASP A 921 31.686 0.917 -8.782 1.00 0.00 C ATOM 370 OD1 ASP A 921 31.256 1.734 -9.624 1.00 0.00 O ATOM 371 OD2 ASP A 921 32.710 1.116 -8.096 1.00 0.00 O ATOM 0 H ASP A 921 29.337 1.241 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 921 28.984 -1.113 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 921 31.445 -0.994 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.921 -0.941 -9.520 1.00 0.00 H new ATOM 376 N PHE A 922 29.429 -0.248 -5.700 1.00 0.00 N ATOM 377 CA PHE A 922 29.417 0.292 -4.344 1.00 0.00 C ATOM 378 C PHE A 922 30.356 -0.486 -3.426 1.00 0.00 C ATOM 379 O PHE A 922 30.388 -1.716 -3.454 1.00 0.00 O ATOM 380 CB PHE A 922 28.003 0.265 -3.756 1.00 0.00 C ATOM 381 CG PHE A 922 27.064 1.260 -4.369 1.00 0.00 C ATOM 382 CD1 PHE A 922 26.592 1.090 -5.660 1.00 0.00 C ATOM 383 CD2 PHE A 922 26.656 2.370 -3.650 1.00 0.00 C ATOM 384 CE1 PHE A 922 25.729 2.011 -6.221 1.00 0.00 C ATOM 385 CE2 PHE A 922 25.794 3.293 -4.205 1.00 0.00 C ATOM 386 CZ PHE A 922 25.329 3.115 -5.493 1.00 0.00 C ATOM 0 H PHE A 922 29.398 -1.266 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 922 29.762 1.324 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.588 -0.735 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.064 0.452 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 922 26.902 0.229 -6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.017 2.515 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 922 25.367 1.868 -7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.483 4.154 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 922 24.655 3.837 -5.930 1.00 0.00 H new ATOM 396 N PRO A 923 31.130 0.230 -2.589 1.00 0.00 N ATOM 397 CA PRO A 923 32.066 -0.392 -1.647 1.00 0.00 C ATOM 398 C PRO A 923 31.339 -1.129 -0.527 1.00 0.00 C ATOM 399 O PRO A 923 30.315 -0.659 -0.031 1.00 0.00 O ATOM 400 CB PRO A 923 32.852 0.795 -1.087 1.00 0.00 C ATOM 401 CG PRO A 923 31.935 1.959 -1.237 1.00 0.00 C ATOM 402 CD PRO A 923 31.140 1.702 -2.488 1.00 0.00 C ATOM 0 HA PRO A 923 32.695 -1.142 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.121 0.635 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.781 0.949 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.280 2.054 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.496 2.890 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.131 2.107 -2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.604 2.162 -3.361 1.00 0.00 H new ATOM 410 N ILE A 924 31.866 -2.285 -0.135 1.00 0.00 N ATOM 411 CA ILE A 924 31.253 -3.077 0.925 1.00 0.00 C ATOM 412 C ILE A 924 31.117 -2.266 2.210 1.00 0.00 C ATOM 413 O ILE A 924 31.852 -1.303 2.431 1.00 0.00 O ATOM 414 CB ILE A 924 32.047 -4.365 1.218 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.291 -5.150 -0.074 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.285 -5.216 2.219 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.091 -6.420 0.127 1.00 0.00 C ATOM 0 H ILE A 924 32.712 -2.692 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 924 30.262 -3.357 0.567 1.00 0.00 H new ATOM 0 HB ILE A 924 33.015 -4.097 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 924 31.330 -5.404 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 924 32.814 -4.510 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 924 31.848 -6.127 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.149 -4.656 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.310 -5.477 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 924 33.224 -6.922 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.067 -6.173 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 924 32.559 -7.080 0.812 1.00 0.00 H new ATOM 429 N GLY A 925 30.157 -2.652 3.047 1.00 0.00 N ATOM 430 CA GLY A 925 29.920 -1.944 4.289 1.00 0.00 C ATOM 431 C GLY A 925 28.965 -0.789 4.089 1.00 0.00 C ATOM 432 O GLY A 925 28.079 -0.549 4.910 1.00 0.00 O ATOM 0 H GLY A 925 29.538 -3.446 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.512 -2.632 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 925 30.865 -1.573 4.685 1.00 0.00 H new ATOM 436 N THR A 926 29.144 -0.085 2.978 1.00 0.00 N ATOM 437 CA THR A 926 28.296 1.045 2.632 1.00 0.00 C ATOM 438 C THR A 926 26.826 0.635 2.583 1.00 0.00 C ATOM 439 O THR A 926 26.485 -0.423 2.057 1.00 0.00 O ATOM 440 CB THR A 926 28.706 1.634 1.270 1.00 0.00 C ATOM 441 OG1 THR A 926 30.012 2.214 1.357 1.00 0.00 O ATOM 442 CG2 THR A 926 27.709 2.681 0.806 1.00 0.00 C ATOM 0 H THR A 926 29.877 -0.281 2.296 1.00 0.00 H new ATOM 0 HA THR A 926 28.425 1.801 3.406 1.00 0.00 H new ATOM 0 HB THR A 926 28.718 0.823 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.008 3.095 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.023 3.080 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.723 2.226 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.664 3.489 1.536 1.00 0.00 H new ATOM 450 N SER A 927 25.958 1.483 3.129 1.00 0.00 N ATOM 451 CA SER A 927 24.525 1.208 3.142 1.00 0.00 C ATOM 452 C SER A 927 23.740 2.421 2.654 1.00 0.00 C ATOM 453 O SER A 927 24.014 3.551 3.060 1.00 0.00 O ATOM 454 CB SER A 927 24.070 0.826 4.552 1.00 0.00 C ATOM 455 OG SER A 927 24.343 1.865 5.477 1.00 0.00 O ATOM 0 H SER A 927 26.222 2.365 3.568 1.00 0.00 H new ATOM 0 HA SER A 927 24.332 0.373 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 927 23.001 0.612 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 927 24.577 -0.087 4.866 1.00 0.00 H new ATOM 0 HG SER A 927 24.041 1.596 6.370 1.00 0.00 H new ATOM 461 N LEU A 928 22.765 2.183 1.781 1.00 0.00 N ATOM 462 CA LEU A 928 21.950 3.271 1.243 1.00 0.00 C ATOM 463 C LEU A 928 20.613 3.388 1.967 1.00 0.00 C ATOM 464 O LEU A 928 19.944 2.388 2.230 1.00 0.00 O ATOM 465 CB LEU A 928 21.699 3.087 -0.257 1.00 0.00 C ATOM 466 CG LEU A 928 22.931 3.163 -1.165 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.808 4.349 -0.789 1.00 0.00 C ATOM 468 CD2 LEU A 928 23.723 1.870 -1.098 1.00 0.00 C ATOM 0 H LEU A 928 22.521 1.256 1.433 1.00 0.00 H new ATOM 0 HA LEU A 928 22.514 4.190 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.222 2.119 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 928 20.988 3.847 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 928 22.590 3.305 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.676 4.383 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.237 5.272 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 928 24.139 4.243 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 928 24.594 1.943 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 928 24.050 1.696 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 928 23.095 1.041 -1.424 1.00 0.00 H new ATOM 480 N LYS A 929 20.227 4.624 2.271 1.00 0.00 N ATOM 481 CA LYS A 929 18.964 4.900 2.948 1.00 0.00 C ATOM 482 C LYS A 929 17.838 5.063 1.929 1.00 0.00 C ATOM 483 O LYS A 929 18.006 5.738 0.911 1.00 0.00 O ATOM 484 CB LYS A 929 19.090 6.168 3.799 1.00 0.00 C ATOM 485 CG LYS A 929 17.812 6.559 4.528 1.00 0.00 C ATOM 486 CD LYS A 929 17.394 5.508 5.541 1.00 0.00 C ATOM 487 CE LYS A 929 18.469 5.285 6.589 1.00 0.00 C ATOM 488 NZ LYS A 929 18.733 6.514 7.386 1.00 0.00 N ATOM 0 H LYS A 929 20.776 5.456 2.057 1.00 0.00 H new ATOM 0 HA LYS A 929 18.726 4.058 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.883 6.023 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.396 6.994 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 929 17.960 7.513 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.011 6.704 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 929 16.469 5.818 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 929 17.185 4.569 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.164 4.479 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 929 19.390 4.964 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 19.358 6.282 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 19.192 7.227 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 17.835 6.893 7.748 1.00 0.00 H new ATOM 502 N TYR A 930 16.690 4.445 2.203 1.00 0.00 N ATOM 503 CA TYR A 930 15.546 4.535 1.298 1.00 0.00 C ATOM 504 C TYR A 930 14.292 4.987 2.037 1.00 0.00 C ATOM 505 O TYR A 930 13.963 4.464 3.102 1.00 0.00 O ATOM 506 CB TYR A 930 15.277 3.187 0.621 1.00 0.00 C ATOM 507 CG TYR A 930 16.374 2.727 -0.314 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.625 2.369 0.168 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.148 2.639 -1.682 1.00 0.00 C ATOM 510 CE1 TYR A 930 18.622 1.939 -0.686 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.139 2.209 -2.543 1.00 0.00 C ATOM 512 CZ TYR A 930 18.374 1.860 -2.039 1.00 0.00 C ATOM 513 OH TYR A 930 19.365 1.433 -2.892 1.00 0.00 O ATOM 0 H TYR A 930 16.528 3.881 3.037 1.00 0.00 H new ATOM 0 HA TYR A 930 15.794 5.275 0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.132 2.430 1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.344 3.255 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 930 17.822 2.428 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.181 2.911 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 930 19.591 1.666 -0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 930 16.948 2.147 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 930 20.174 1.229 -2.378 1.00 0.00 H new ATOM 523 N GLU A 931 13.590 5.955 1.457 1.00 0.00 N ATOM 524 CA GLU A 931 12.363 6.473 2.051 1.00 0.00 C ATOM 525 C GLU A 931 11.135 5.817 1.428 1.00 0.00 C ATOM 526 O GLU A 931 11.026 5.721 0.203 1.00 0.00 O ATOM 527 CB GLU A 931 12.281 7.993 1.876 1.00 0.00 C ATOM 528 CG GLU A 931 13.370 8.758 2.611 1.00 0.00 C ATOM 529 CD GLU A 931 13.271 8.620 4.119 1.00 0.00 C ATOM 530 OE1 GLU A 931 13.380 7.482 4.619 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.087 9.651 4.797 1.00 0.00 O ATOM 0 H GLU A 931 13.850 6.397 0.575 1.00 0.00 H new ATOM 0 HA GLU A 931 12.383 6.237 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.338 8.230 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.308 8.337 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 931 14.345 8.399 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 931 13.311 9.813 2.343 1.00 0.00 H new ATOM 538 N CYS A 932 10.209 5.375 2.279 1.00 0.00 N ATOM 539 CA CYS A 932 8.981 4.742 1.811 1.00 0.00 C ATOM 540 C CYS A 932 8.188 5.695 0.925 1.00 0.00 C ATOM 541 O CYS A 932 8.060 6.882 1.229 1.00 0.00 O ATOM 542 CB CYS A 932 8.117 4.290 2.991 1.00 0.00 C ATOM 543 SG CYS A 932 8.829 2.928 3.971 1.00 0.00 S ATOM 0 H CYS A 932 10.288 5.444 3.294 1.00 0.00 H new ATOM 0 HA CYS A 932 9.260 3.866 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.947 5.143 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.143 3.979 2.614 1.00 0.00 H new ATOM 548 N ARG A 933 7.655 5.169 -0.170 1.00 0.00 N ATOM 549 CA ARG A 933 6.872 5.968 -1.105 1.00 0.00 C ATOM 550 C ARG A 933 5.406 6.009 -0.700 1.00 0.00 C ATOM 551 O ARG A 933 4.922 5.118 0.000 1.00 0.00 O ATOM 552 CB ARG A 933 6.998 5.402 -2.517 1.00 0.00 C ATOM 553 CG ARG A 933 8.405 5.466 -3.075 1.00 0.00 C ATOM 554 CD ARG A 933 8.479 4.823 -4.446 1.00 0.00 C ATOM 555 NE ARG A 933 7.553 5.440 -5.393 1.00 0.00 N ATOM 556 CZ ARG A 933 7.419 5.048 -6.657 1.00 0.00 C ATOM 557 NH1 ARG A 933 8.149 4.044 -7.124 1.00 0.00 N ATOM 558 NH2 ARG A 933 6.554 5.660 -7.453 1.00 0.00 N ATOM 0 H ARG A 933 7.751 4.188 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 933 7.264 6.985 -1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.665 4.364 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.328 5.950 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.727 6.505 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 933 9.092 4.961 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 933 9.496 4.904 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 933 8.254 3.760 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 933 6.977 6.215 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 933 8.815 3.571 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 933 8.044 3.745 -8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 933 5.991 6.432 -7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 933 6.452 5.359 -8.422 1.00 0.00 H new ATOM 572 N PRO A 934 4.670 7.042 -1.146 1.00 0.00 N ATOM 573 CA PRO A 934 3.249 7.186 -0.837 1.00 0.00 C ATOM 574 C PRO A 934 2.481 5.913 -1.160 1.00 0.00 C ATOM 575 O PRO A 934 2.742 5.264 -2.174 1.00 0.00 O ATOM 576 CB PRO A 934 2.783 8.341 -1.737 1.00 0.00 C ATOM 577 CG PRO A 934 3.903 8.580 -2.698 1.00 0.00 C ATOM 578 CD PRO A 934 5.153 8.141 -1.993 1.00 0.00 C ATOM 0 HA PRO A 934 3.077 7.379 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 934 1.864 8.082 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 934 2.573 9.235 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.755 8.015 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 934 3.961 9.632 -2.976 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.918 7.807 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 934 5.590 8.946 -1.403 1.00 0.00 H new ATOM 586 N GLU A 935 1.549 5.563 -0.278 1.00 0.00 N ATOM 587 CA GLU A 935 0.725 4.363 -0.426 1.00 0.00 C ATOM 588 C GLU A 935 1.460 3.129 0.098 1.00 0.00 C ATOM 589 O GLU A 935 1.210 2.006 -0.347 1.00 0.00 O ATOM 590 CB GLU A 935 0.314 4.151 -1.887 1.00 0.00 C ATOM 591 CG GLU A 935 -0.448 5.327 -2.482 1.00 0.00 C ATOM 592 CD GLU A 935 -0.772 5.131 -3.950 1.00 0.00 C ATOM 593 OE1 GLU A 935 -0.392 4.080 -4.510 1.00 0.00 O ATOM 594 OE2 GLU A 935 -1.406 6.029 -4.543 1.00 0.00 O ATOM 0 H GLU A 935 1.342 6.103 0.562 1.00 0.00 H new ATOM 0 HA GLU A 935 -0.178 4.509 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 935 1.207 3.968 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.304 3.256 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -1.374 5.473 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.143 6.235 -2.362 1.00 0.00 H new ATOM 601 N TYR A 936 2.356 3.346 1.060 1.00 0.00 N ATOM 602 CA TYR A 936 3.119 2.255 1.667 1.00 0.00 C ATOM 603 C TYR A 936 3.436 2.553 3.128 1.00 0.00 C ATOM 604 O TYR A 936 3.952 3.622 3.453 1.00 0.00 O ATOM 605 CB TYR A 936 4.418 2.009 0.898 1.00 0.00 C ATOM 606 CG TYR A 936 4.189 1.631 -0.541 1.00 0.00 C ATOM 607 CD1 TYR A 936 3.888 0.324 -0.889 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.248 2.585 -1.549 1.00 0.00 C ATOM 609 CE1 TYR A 936 3.655 -0.029 -2.200 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.013 2.242 -2.864 1.00 0.00 C ATOM 611 CZ TYR A 936 3.719 0.933 -3.187 1.00 0.00 C ATOM 612 OH TYR A 936 3.485 0.587 -4.498 1.00 0.00 O ATOM 0 H TYR A 936 2.572 4.269 1.437 1.00 0.00 H new ATOM 0 HA TYR A 936 2.503 1.357 1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.033 2.908 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 936 4.981 1.216 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 936 3.835 -0.431 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.481 3.610 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 936 3.424 -1.053 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.059 2.994 -3.637 1.00 0.00 H new ATOM 0 HH TYR A 936 3.568 1.381 -5.066 1.00 0.00 H new ATOM 622 N TYR A 937 3.134 1.600 4.009 1.00 0.00 N ATOM 623 CA TYR A 937 3.404 1.778 5.434 1.00 0.00 C ATOM 624 C TYR A 937 4.669 1.037 5.856 1.00 0.00 C ATOM 625 O TYR A 937 4.953 -0.059 5.375 1.00 0.00 O ATOM 626 CB TYR A 937 2.202 1.354 6.298 1.00 0.00 C ATOM 627 CG TYR A 937 1.694 -0.058 6.077 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.519 -1.164 6.253 1.00 0.00 C ATOM 629 CD2 TYR A 937 0.375 -0.282 5.707 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.042 -2.447 6.063 1.00 0.00 C ATOM 631 CE2 TYR A 937 -0.108 -1.562 5.514 1.00 0.00 C ATOM 632 CZ TYR A 937 0.730 -2.641 5.693 1.00 0.00 C ATOM 633 OH TYR A 937 0.252 -3.917 5.503 1.00 0.00 O ATOM 0 H TYR A 937 2.707 0.707 3.765 1.00 0.00 H new ATOM 0 HA TYR A 937 3.568 2.843 5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 937 2.478 1.460 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.382 2.048 6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.549 -1.018 6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 937 -0.286 0.560 5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.696 -3.295 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -1.137 -1.716 5.224 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.693 -3.877 5.246 1.00 0.00 H new ATOM 643 N GLY A 938 5.433 1.655 6.750 1.00 0.00 N ATOM 644 CA GLY A 938 6.664 1.051 7.220 1.00 0.00 C ATOM 645 C GLY A 938 7.573 2.052 7.908 1.00 0.00 C ATOM 646 O GLY A 938 7.137 2.799 8.783 1.00 0.00 O ATOM 0 H GLY A 938 5.220 2.565 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.428 0.243 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.192 0.605 6.377 1.00 0.00 H new ATOM 650 N ARG A 939 8.837 2.066 7.502 1.00 0.00 N ATOM 651 CA ARG A 939 9.818 2.981 8.072 1.00 0.00 C ATOM 652 C ARG A 939 11.071 3.019 7.199 1.00 0.00 C ATOM 653 O ARG A 939 11.339 2.082 6.448 1.00 0.00 O ATOM 654 CB ARG A 939 10.185 2.564 9.499 1.00 0.00 C ATOM 655 CG ARG A 939 11.064 1.328 9.566 1.00 0.00 C ATOM 656 CD ARG A 939 11.368 0.939 11.004 1.00 0.00 C ATOM 657 NE ARG A 939 10.154 0.662 11.769 1.00 0.00 N ATOM 658 CZ ARG A 939 9.306 -0.323 11.483 1.00 0.00 C ATOM 659 NH1 ARG A 939 9.544 -1.135 10.460 1.00 0.00 N ATOM 660 NH2 ARG A 939 8.221 -0.500 12.224 1.00 0.00 N ATOM 0 H ARG A 939 9.208 1.451 6.777 1.00 0.00 H new ATOM 0 HA ARG A 939 9.378 3.977 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.698 3.391 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.270 2.379 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 939 10.568 0.499 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.997 1.514 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 939 12.010 0.058 11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.924 1.743 11.486 1.00 0.00 H new ATOM 0 HE ARG A 939 9.944 1.259 12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 939 10.380 -1.005 9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 939 8.891 -1.889 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 939 8.036 0.119 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 939 7.571 -1.255 12.005 1.00 0.00 H new ATOM 674 N PRO A 940 11.851 4.108 7.279 1.00 0.00 N ATOM 675 CA PRO A 940 13.074 4.260 6.484 1.00 0.00 C ATOM 676 C PRO A 940 14.091 3.163 6.767 1.00 0.00 C ATOM 677 O PRO A 940 14.711 3.137 7.831 1.00 0.00 O ATOM 678 CB PRO A 940 13.629 5.619 6.923 1.00 0.00 C ATOM 679 CG PRO A 940 12.474 6.334 7.534 1.00 0.00 C ATOM 680 CD PRO A 940 11.608 5.271 8.144 1.00 0.00 C ATOM 0 HA PRO A 940 12.867 4.194 5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 940 14.442 5.500 7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 940 14.031 6.173 6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 940 12.810 7.045 8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 940 11.925 6.902 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 940 11.886 5.069 9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 940 10.557 5.559 8.146 1.00 0.00 H new ATOM 688 N PHE A 941 14.268 2.263 5.804 1.00 0.00 N ATOM 689 CA PHE A 941 15.221 1.173 5.949 1.00 0.00 C ATOM 690 C PHE A 941 16.554 1.539 5.305 1.00 0.00 C ATOM 691 O PHE A 941 16.779 2.691 4.933 1.00 0.00 O ATOM 692 CB PHE A 941 14.660 -0.112 5.334 1.00 0.00 C ATOM 693 CG PHE A 941 14.384 -0.018 3.861 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.408 -0.164 2.938 1.00 0.00 C ATOM 695 CD2 PHE A 941 13.101 0.217 3.400 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.155 -0.080 1.584 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.841 0.304 2.047 1.00 0.00 C ATOM 698 CZ PHE A 941 13.869 0.154 1.137 1.00 0.00 C ATOM 0 H PHE A 941 13.764 2.269 4.917 1.00 0.00 H new ATOM 0 HA PHE A 941 15.390 1.001 7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.366 -0.924 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.736 -0.376 5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.415 -0.346 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.293 0.334 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.961 -0.197 0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.835 0.489 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.668 0.220 0.078 1.00 0.00 H new ATOM 708 N SER A 942 17.429 0.550 5.164 1.00 0.00 N ATOM 709 CA SER A 942 18.737 0.769 4.558 1.00 0.00 C ATOM 710 C SER A 942 19.456 -0.555 4.342 1.00 0.00 C ATOM 711 O SER A 942 19.591 -1.359 5.264 1.00 0.00 O ATOM 712 CB SER A 942 19.588 1.687 5.440 1.00 0.00 C ATOM 713 OG SER A 942 19.785 1.120 6.724 1.00 0.00 O ATOM 0 H SER A 942 17.257 -0.411 5.461 1.00 0.00 H new ATOM 0 HA SER A 942 18.588 1.248 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.553 1.862 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.100 2.657 5.538 1.00 0.00 H new ATOM 0 HG SER A 942 19.814 0.143 6.649 1.00 0.00 H new ATOM 719 N ILE A 943 19.910 -0.776 3.114 1.00 0.00 N ATOM 720 CA ILE A 943 20.606 -2.005 2.770 1.00 0.00 C ATOM 721 C ILE A 943 22.119 -1.835 2.802 1.00 0.00 C ATOM 722 O ILE A 943 22.683 -1.014 2.075 1.00 0.00 O ATOM 723 CB ILE A 943 20.190 -2.508 1.377 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.282 -1.373 0.354 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.784 -3.080 1.420 1.00 0.00 C ATOM 726 CD1 ILE A 943 19.955 -1.805 -1.057 1.00 0.00 C ATOM 0 H ILE A 943 19.807 -0.118 2.341 1.00 0.00 H new ATOM 0 HA ILE A 943 20.322 -2.739 3.524 1.00 0.00 H new ATOM 0 HB ILE A 943 20.873 -3.301 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.601 -0.574 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.289 -0.957 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.504 -3.432 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.751 -3.913 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.086 -2.307 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.040 -0.950 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.651 -2.583 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 943 18.937 -2.194 -1.092 1.00 0.00 H new ATOM 738 N THR A 944 22.767 -2.634 3.642 1.00 0.00 N ATOM 739 CA THR A 944 24.217 -2.617 3.770 1.00 0.00 C ATOM 740 C THR A 944 24.845 -3.624 2.815 1.00 0.00 C ATOM 741 O THR A 944 24.388 -4.756 2.733 1.00 0.00 O ATOM 742 CB THR A 944 24.658 -2.945 5.210 1.00 0.00 C ATOM 743 OG1 THR A 944 24.226 -1.911 6.104 1.00 0.00 O ATOM 744 CG2 THR A 944 26.169 -3.101 5.297 1.00 0.00 C ATOM 0 H THR A 944 22.303 -3.309 4.250 1.00 0.00 H new ATOM 0 HA THR A 944 24.555 -1.611 3.521 1.00 0.00 H new ATOM 0 HB THR A 944 24.197 -3.890 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 944 24.509 -2.128 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 944 26.452 -3.332 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 944 26.490 -3.910 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.649 -2.172 4.988 1.00 0.00 H new ATOM 752 N CYS A 945 25.898 -3.229 2.110 1.00 0.00 N ATOM 753 CA CYS A 945 26.573 -4.148 1.197 1.00 0.00 C ATOM 754 C CYS A 945 27.381 -5.160 1.984 1.00 0.00 C ATOM 755 O CYS A 945 28.288 -4.802 2.733 1.00 0.00 O ATOM 756 CB CYS A 945 27.470 -3.382 0.224 1.00 0.00 C ATOM 757 SG CYS A 945 28.671 -4.424 -0.668 1.00 0.00 S ATOM 0 H CYS A 945 26.300 -2.292 2.150 1.00 0.00 H new ATOM 0 HA CYS A 945 25.819 -4.678 0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.842 -2.868 -0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 945 28.012 -2.614 0.776 1.00 0.00 H new ATOM 762 N LEU A 946 27.026 -6.426 1.833 1.00 0.00 N ATOM 763 CA LEU A 946 27.702 -7.488 2.560 1.00 0.00 C ATOM 764 C LEU A 946 28.933 -8.009 1.849 1.00 0.00 C ATOM 765 O LEU A 946 29.212 -7.684 0.695 1.00 0.00 O ATOM 766 CB LEU A 946 26.758 -8.650 2.844 1.00 0.00 C ATOM 767 CG LEU A 946 25.531 -8.294 3.665 1.00 0.00 C ATOM 768 CD1 LEU A 946 25.929 -7.608 4.964 1.00 0.00 C ATOM 769 CD2 LEU A 946 24.613 -7.433 2.850 1.00 0.00 C ATOM 0 H LEU A 946 26.277 -6.742 1.217 1.00 0.00 H new ATOM 0 HA LEU A 946 28.027 -7.038 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.431 -9.073 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.312 -9.430 3.366 1.00 0.00 H new ATOM 0 HG LEU A 946 25.002 -9.209 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 946 25.034 -7.363 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 946 26.561 -8.276 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 946 26.478 -6.694 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 946 23.733 -7.178 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 946 25.132 -6.519 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 946 24.305 -7.974 1.955 1.00 0.00 H new ATOM 781 N ASP A 947 29.646 -8.845 2.581 1.00 0.00 N ATOM 782 CA ASP A 947 30.855 -9.490 2.116 1.00 0.00 C ATOM 783 C ASP A 947 30.630 -10.227 0.800 1.00 0.00 C ATOM 784 O ASP A 947 31.461 -10.167 -0.107 1.00 0.00 O ATOM 785 CB ASP A 947 31.310 -10.467 3.189 1.00 0.00 C ATOM 786 CG ASP A 947 32.650 -11.107 2.879 1.00 0.00 C ATOM 787 OD1 ASP A 947 32.755 -11.796 1.843 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.595 -10.918 3.675 1.00 0.00 O ATOM 0 H ASP A 947 29.393 -9.098 3.536 1.00 0.00 H new ATOM 0 HA ASP A 947 31.617 -8.732 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.375 -9.945 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 947 30.558 -11.248 3.304 1.00 0.00 H new ATOM 793 N ASN A 948 29.507 -10.936 0.711 1.00 0.00 N ATOM 794 CA ASN A 948 29.183 -11.702 -0.488 1.00 0.00 C ATOM 795 C ASN A 948 28.525 -10.819 -1.539 1.00 0.00 C ATOM 796 O ASN A 948 27.727 -11.289 -2.352 1.00 0.00 O ATOM 797 CB ASN A 948 28.260 -12.871 -0.136 1.00 0.00 C ATOM 798 CG ASN A 948 28.889 -13.823 0.862 1.00 0.00 C ATOM 799 OD1 ASN A 948 29.936 -14.415 0.599 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.250 -13.978 2.016 1.00 0.00 N ATOM 0 H ASN A 948 28.809 -10.995 1.452 1.00 0.00 H new ATOM 0 HA ASN A 948 30.113 -12.092 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 948 27.327 -12.483 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.007 -13.417 -1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 948 28.625 -14.608 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 948 27.385 -13.467 2.192 1.00 0.00 H new ATOM 807 N LEU A 949 28.887 -9.541 -1.528 1.00 0.00 N ATOM 808 CA LEU A 949 28.360 -8.581 -2.488 1.00 0.00 C ATOM 809 C LEU A 949 26.842 -8.673 -2.602 1.00 0.00 C ATOM 810 O LEU A 949 26.308 -9.002 -3.662 1.00 0.00 O ATOM 811 CB LEU A 949 29.006 -8.808 -3.852 1.00 0.00 C ATOM 812 CG LEU A 949 30.528 -8.946 -3.820 1.00 0.00 C ATOM 813 CD1 LEU A 949 31.071 -9.220 -5.215 1.00 0.00 C ATOM 814 CD2 LEU A 949 31.166 -7.699 -3.230 1.00 0.00 C ATOM 0 H LEU A 949 29.548 -9.145 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 949 28.602 -7.580 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 949 28.582 -9.709 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 949 28.743 -7.977 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 949 30.782 -9.793 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 949 32.156 -9.315 -5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 949 30.641 -10.146 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 949 30.806 -8.396 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 949 32.250 -7.817 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 949 30.903 -6.833 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 949 30.804 -7.552 -2.213 1.00 0.00 H new ATOM 826 N VAL A 950 26.154 -8.384 -1.505 1.00 0.00 N ATOM 827 CA VAL A 950 24.698 -8.439 -1.484 1.00 0.00 C ATOM 828 C VAL A 950 24.105 -7.226 -0.773 1.00 0.00 C ATOM 829 O VAL A 950 24.791 -6.220 -0.567 1.00 0.00 O ATOM 830 CB VAL A 950 24.211 -9.731 -0.804 1.00 0.00 C ATOM 831 CG1 VAL A 950 24.448 -10.929 -1.706 1.00 0.00 C ATOM 832 CG2 VAL A 950 24.911 -9.921 0.526 1.00 0.00 C ATOM 0 H VAL A 950 26.580 -8.110 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 950 24.357 -8.431 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 950 23.140 -9.645 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 950 24.098 -11.834 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 950 23.903 -10.794 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 950 25.513 -11.020 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 950 24.557 -10.839 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 950 25.987 -9.988 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 950 24.694 -9.073 1.176 1.00 0.00 H new ATOM 842 N TRP A 951 22.829 -7.324 -0.404 1.00 0.00 N ATOM 843 CA TRP A 951 22.136 -6.223 0.268 1.00 0.00 C ATOM 844 C TRP A 951 21.147 -6.739 1.314 1.00 0.00 C ATOM 845 O TRP A 951 20.007 -6.283 1.394 1.00 0.00 O ATOM 846 CB TRP A 951 21.399 -5.359 -0.762 1.00 0.00 C ATOM 847 CG TRP A 951 22.308 -4.670 -1.737 1.00 0.00 C ATOM 848 CD1 TRP A 951 22.571 -5.033 -3.030 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.086 -3.501 -1.484 1.00 0.00 C ATOM 850 NE1 TRP A 951 23.458 -4.145 -3.597 1.00 0.00 N ATOM 851 CE2 TRP A 951 23.790 -3.197 -2.664 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.249 -2.678 -0.371 1.00 0.00 C ATOM 853 CZ2 TRP A 951 24.646 -2.103 -2.758 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.096 -1.594 -0.463 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.786 -1.313 -1.649 1.00 0.00 C ATOM 0 H TRP A 951 22.254 -8.152 -0.558 1.00 0.00 H new ATOM 0 HA TRP A 951 22.886 -5.620 0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 951 20.699 -5.986 -1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 951 20.809 -4.608 -0.237 1.00 0.00 H new ATOM 0 HD1 TRP A 951 22.146 -5.890 -3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 951 23.810 -4.186 -4.553 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.721 -2.886 0.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.179 -1.886 -3.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 24.230 -0.951 0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.442 -0.456 -1.689 1.00 0.00 H new ATOM 866 N SER A 952 21.622 -7.680 2.122 1.00 0.00 N ATOM 867 CA SER A 952 20.844 -8.292 3.203 1.00 0.00 C ATOM 868 C SER A 952 19.395 -8.565 2.822 1.00 0.00 C ATOM 869 O SER A 952 18.526 -8.639 3.690 1.00 0.00 O ATOM 870 CB SER A 952 20.897 -7.414 4.455 1.00 0.00 C ATOM 871 OG SER A 952 20.371 -6.124 4.197 1.00 0.00 O ATOM 0 H SER A 952 22.571 -8.047 2.047 1.00 0.00 H new ATOM 0 HA SER A 952 21.304 -9.259 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 952 20.332 -7.886 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 952 21.928 -7.328 4.799 1.00 0.00 H new ATOM 0 HG SER A 952 20.415 -5.584 5.013 1.00 0.00 H new ATOM 877 N SER A 953 19.154 -8.745 1.532 1.00 0.00 N ATOM 878 CA SER A 953 17.816 -9.047 1.015 1.00 0.00 C ATOM 879 C SER A 953 16.719 -8.327 1.806 1.00 0.00 C ATOM 880 O SER A 953 16.252 -8.837 2.825 1.00 0.00 O ATOM 881 CB SER A 953 17.571 -10.556 1.052 1.00 0.00 C ATOM 882 OG SER A 953 16.273 -10.875 0.584 1.00 0.00 O ATOM 0 H SER A 953 19.874 -8.687 0.812 1.00 0.00 H new ATOM 0 HA SER A 953 17.774 -8.689 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 953 18.316 -11.063 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 953 17.693 -10.922 2.071 1.00 0.00 H new ATOM 0 HG SER A 953 16.143 -11.846 0.617 1.00 0.00 H new ATOM 888 N PRO A 954 16.281 -7.138 1.353 1.00 0.00 N ATOM 889 CA PRO A 954 15.232 -6.373 2.040 1.00 0.00 C ATOM 890 C PRO A 954 14.005 -7.217 2.367 1.00 0.00 C ATOM 891 O PRO A 954 13.546 -8.013 1.548 1.00 0.00 O ATOM 892 CB PRO A 954 14.870 -5.287 1.031 1.00 0.00 C ATOM 893 CG PRO A 954 16.115 -5.086 0.244 1.00 0.00 C ATOM 894 CD PRO A 954 16.764 -6.441 0.144 1.00 0.00 C ATOM 0 HA PRO A 954 15.577 -5.992 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 954 14.042 -5.597 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 954 14.562 -4.368 1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.891 -4.686 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.776 -4.372 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 954 16.468 -6.963 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 954 17.851 -6.366 0.130 1.00 0.00 H new ATOM 902 N LYS A 955 13.477 -7.028 3.572 1.00 0.00 N ATOM 903 CA LYS A 955 12.299 -7.760 4.022 1.00 0.00 C ATOM 904 C LYS A 955 11.620 -7.016 5.166 1.00 0.00 C ATOM 905 O LYS A 955 12.283 -6.541 6.089 1.00 0.00 O ATOM 906 CB LYS A 955 12.675 -9.180 4.464 1.00 0.00 C ATOM 907 CG LYS A 955 13.530 -9.242 5.724 1.00 0.00 C ATOM 908 CD LYS A 955 14.896 -8.605 5.520 1.00 0.00 C ATOM 909 CE LYS A 955 15.733 -8.661 6.787 1.00 0.00 C ATOM 910 NZ LYS A 955 15.961 -10.060 7.242 1.00 0.00 N ATOM 0 H LYS A 955 13.849 -6.370 4.257 1.00 0.00 H new ATOM 0 HA LYS A 955 11.603 -7.834 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 955 11.761 -9.749 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 955 13.211 -9.670 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 955 13.012 -8.735 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 955 13.657 -10.282 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 955 15.421 -9.117 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 955 14.772 -7.567 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 955 16.693 -8.176 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 955 15.234 -8.099 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 16.706 -10.072 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 15.081 -10.442 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 16.255 -10.644 6.434 1.00 0.00 H new ATOM 924 N ASP A 956 10.296 -6.908 5.095 1.00 0.00 N ATOM 925 CA ASP A 956 9.530 -6.212 6.123 1.00 0.00 C ATOM 926 C ASP A 956 9.987 -4.761 6.237 1.00 0.00 C ATOM 927 O ASP A 956 10.802 -4.420 7.095 1.00 0.00 O ATOM 928 CB ASP A 956 9.678 -6.922 7.473 1.00 0.00 C ATOM 929 CG ASP A 956 8.809 -6.308 8.554 1.00 0.00 C ATOM 930 OD1 ASP A 956 9.003 -5.116 8.871 1.00 0.00 O ATOM 931 OD2 ASP A 956 7.932 -7.021 9.086 1.00 0.00 O ATOM 0 H ASP A 956 9.732 -7.293 4.337 1.00 0.00 H new ATOM 0 HA ASP A 956 8.478 -6.224 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 956 9.417 -7.974 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 956 10.721 -6.885 7.786 1.00 0.00 H new ATOM 936 N VAL A 957 9.461 -3.911 5.358 1.00 0.00 N ATOM 937 CA VAL A 957 9.814 -2.498 5.347 1.00 0.00 C ATOM 938 C VAL A 957 8.635 -1.645 4.870 1.00 0.00 C ATOM 939 O VAL A 957 7.656 -1.476 5.597 1.00 0.00 O ATOM 940 CB VAL A 957 11.063 -2.237 4.469 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.329 -2.665 5.196 1.00 0.00 C ATOM 942 CG2 VAL A 957 10.956 -2.949 3.128 1.00 0.00 C ATOM 0 H VAL A 957 8.786 -4.180 4.642 1.00 0.00 H new ATOM 0 HA VAL A 957 10.056 -2.211 6.370 1.00 0.00 H new ATOM 0 HB VAL A 957 11.115 -1.165 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.195 -2.473 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.425 -2.099 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.275 -3.729 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 957 11.848 -2.746 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 957 10.867 -4.023 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.076 -2.589 2.594 1.00 0.00 H new ATOM 952 N CYS A 958 8.727 -1.108 3.659 1.00 0.00 N ATOM 953 CA CYS A 958 7.660 -0.275 3.107 1.00 0.00 C ATOM 954 C CYS A 958 6.545 -1.142 2.518 1.00 0.00 C ATOM 955 O CYS A 958 6.218 -1.036 1.335 1.00 0.00 O ATOM 956 CB CYS A 958 8.216 0.661 2.031 1.00 0.00 C ATOM 957 SG CYS A 958 9.624 1.685 2.576 1.00 0.00 S ATOM 0 H CYS A 958 9.528 -1.233 3.040 1.00 0.00 H new ATOM 0 HA CYS A 958 7.244 0.324 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.527 0.064 1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.416 1.318 1.689 1.00 0.00 H new ATOM 962 N LYS A 959 5.975 -2.009 3.352 1.00 0.00 N ATOM 963 CA LYS A 959 4.907 -2.914 2.928 1.00 0.00 C ATOM 964 C LYS A 959 3.727 -2.163 2.308 1.00 0.00 C ATOM 965 O LYS A 959 3.507 -0.983 2.582 1.00 0.00 O ATOM 966 CB LYS A 959 4.428 -3.757 4.112 1.00 0.00 C ATOM 967 CG LYS A 959 5.496 -4.668 4.710 1.00 0.00 C ATOM 968 CD LYS A 959 5.796 -5.874 3.825 1.00 0.00 C ATOM 969 CE LYS A 959 6.650 -5.509 2.620 1.00 0.00 C ATOM 970 NZ LYS A 959 6.946 -6.695 1.768 1.00 0.00 N ATOM 0 H LYS A 959 6.237 -2.105 4.333 1.00 0.00 H new ATOM 0 HA LYS A 959 5.321 -3.567 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 959 4.059 -3.090 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 959 3.585 -4.368 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 959 6.412 -4.097 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 959 5.167 -5.013 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 959 6.309 -6.635 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 959 4.859 -6.313 3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.135 -4.755 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 959 7.585 -5.064 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 7.530 -6.404 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 7.460 -7.405 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 6.055 -7.105 1.423 1.00 0.00 H new ATOM 984 N ARG A 960 2.980 -2.874 1.463 1.00 0.00 N ATOM 985 CA ARG A 960 1.817 -2.317 0.771 1.00 0.00 C ATOM 986 C ARG A 960 0.800 -1.714 1.741 1.00 0.00 C ATOM 987 O ARG A 960 0.204 -2.423 2.553 1.00 0.00 O ATOM 988 CB ARG A 960 1.148 -3.419 -0.057 1.00 0.00 C ATOM 989 CG ARG A 960 -0.171 -3.014 -0.690 1.00 0.00 C ATOM 990 CD ARG A 960 -0.001 -1.890 -1.693 1.00 0.00 C ATOM 991 NE ARG A 960 0.948 -2.239 -2.748 1.00 0.00 N ATOM 992 CZ ARG A 960 1.234 -1.447 -3.777 1.00 0.00 C ATOM 993 NH1 ARG A 960 0.651 -0.262 -3.891 1.00 0.00 N ATOM 994 NH2 ARG A 960 2.107 -1.842 -4.695 1.00 0.00 N ATOM 0 H ARG A 960 3.164 -3.852 1.239 1.00 0.00 H new ATOM 0 HA ARG A 960 2.167 -1.512 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.834 -3.732 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.979 -4.285 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.615 -3.877 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -0.866 -2.702 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.967 -1.652 -2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 960 0.343 -0.993 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 960 1.418 -3.142 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.020 0.046 -3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 960 0.874 0.342 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 960 2.558 -2.753 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 960 2.327 -1.235 -5.485 1.00 0.00 H new ATOM 1008 N LYS A 961 0.594 -0.402 1.631 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.363 0.313 2.472 1.00 0.00 C ATOM 1010 C LYS A 961 -1.786 -0.224 2.262 1.00 0.00 C ATOM 1011 O LYS A 961 -1.996 -1.175 1.508 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.304 1.806 2.142 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.109 2.692 3.072 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.439 2.881 4.423 1.00 0.00 C ATOM 1015 CE LYS A 961 0.736 3.841 4.330 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.323 4.138 5.665 1.00 0.00 N ATOM 0 H LYS A 961 1.083 0.191 0.961 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.100 0.159 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.737 2.129 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.661 1.953 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -1.256 3.665 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -2.097 2.256 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -1.166 3.261 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -0.095 1.917 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 961 1.503 3.413 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 961 0.408 4.770 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.359 4.187 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 0.959 5.049 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 1.062 3.386 6.334 1.00 0.00 H new ATOM 1030 N SER A 962 -2.759 0.406 2.918 1.00 0.00 N ATOM 1031 CA SER A 962 -4.158 0.013 2.794 1.00 0.00 C ATOM 1032 C SER A 962 -5.065 1.229 2.981 1.00 0.00 C ATOM 1033 O SER A 962 -4.637 2.363 2.769 1.00 0.00 O ATOM 1034 CB SER A 962 -4.503 -1.065 3.824 1.00 0.00 C ATOM 1035 OG SER A 962 -4.297 -0.595 5.144 1.00 0.00 O ATOM 0 H SER A 962 -2.601 1.195 3.544 1.00 0.00 H new ATOM 0 HA SER A 962 -4.317 -0.396 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.542 -1.370 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.889 -1.949 3.650 1.00 0.00 H new ATOM 0 HG SER A 962 -4.526 -1.302 5.783 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.310 0.991 3.383 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.265 2.077 3.598 1.00 0.00 C ATOM 1043 C CYS A 963 -8.335 1.660 4.597 1.00 0.00 C ATOM 1044 O CYS A 963 -9.488 2.077 4.498 1.00 0.00 O ATOM 1045 CB CYS A 963 -7.936 2.485 2.281 1.00 0.00 C ATOM 1046 SG CYS A 963 -6.804 3.119 1.001 1.00 0.00 S ATOM 0 H CYS A 963 -6.682 0.059 3.566 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.712 2.929 3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.467 1.622 1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.684 3.249 2.494 1.00 0.00 H new ATOM 1051 N LYS A 964 -7.935 0.841 5.558 1.00 0.00 N ATOM 1052 CA LYS A 964 -8.841 0.348 6.590 1.00 0.00 C ATOM 1053 C LYS A 964 -9.988 -0.451 5.975 1.00 0.00 C ATOM 1054 O LYS A 964 -10.664 0.016 5.059 1.00 0.00 O ATOM 1055 CB LYS A 964 -9.385 1.519 7.408 1.00 0.00 C ATOM 1056 CG LYS A 964 -10.443 1.122 8.427 1.00 0.00 C ATOM 1057 CD LYS A 964 -9.888 0.162 9.467 1.00 0.00 C ATOM 1058 CE LYS A 964 -10.942 -0.215 10.496 1.00 0.00 C ATOM 1059 NZ LYS A 964 -11.453 0.976 11.229 1.00 0.00 N ATOM 0 H LYS A 964 -6.978 0.499 5.646 1.00 0.00 H new ATOM 0 HA LYS A 964 -8.284 -0.318 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -8.557 2.002 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -9.809 2.258 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -10.825 2.015 8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -11.285 0.657 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -9.521 -0.738 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -9.036 0.620 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -11.771 -0.719 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -10.518 -0.924 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -11.982 0.666 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -10.653 1.572 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -12.081 1.523 10.607 1.00 0.00 H new ATOM 1073 N THR A 965 -10.205 -1.660 6.484 1.00 0.00 N ATOM 1074 CA THR A 965 -11.270 -2.516 5.978 1.00 0.00 C ATOM 1075 C THR A 965 -12.627 -1.834 6.140 1.00 0.00 C ATOM 1076 O THR A 965 -12.913 -1.254 7.188 1.00 0.00 O ATOM 1077 CB THR A 965 -11.299 -3.876 6.706 1.00 0.00 C ATOM 1078 OG1 THR A 965 -9.981 -4.434 6.754 1.00 0.00 O ATOM 1079 CG2 THR A 965 -12.234 -4.849 6.000 1.00 0.00 C ATOM 0 H THR A 965 -9.659 -2.067 7.244 1.00 0.00 H new ATOM 0 HA THR A 965 -11.069 -2.690 4.921 1.00 0.00 H new ATOM 0 HB THR A 965 -11.664 -3.711 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 965 -10.008 -5.296 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 965 -12.238 -5.801 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 965 -13.243 -4.438 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 965 -11.891 -5.006 4.977 1.00 0.00 H new ATOM 1087 N PRO A 966 -13.484 -1.890 5.103 1.00 0.00 N ATOM 1088 CA PRO A 966 -14.813 -1.272 5.141 1.00 0.00 C ATOM 1089 C PRO A 966 -15.600 -1.677 6.385 1.00 0.00 C ATOM 1090 O PRO A 966 -15.600 -2.846 6.772 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.503 -1.794 3.871 1.00 0.00 C ATOM 1092 CG PRO A 966 -14.621 -2.881 3.349 1.00 0.00 C ATOM 1093 CD PRO A 966 -13.234 -2.553 3.818 1.00 0.00 C ATOM 0 HA PRO A 966 -14.752 -0.184 5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.500 -2.173 4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.622 -0.999 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -14.939 -3.854 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.663 -2.928 2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -12.623 -3.448 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -12.713 -1.900 3.118 1.00 0.00 H new ATOM 1101 N PRO A 967 -16.275 -0.709 7.034 1.00 0.00 N ATOM 1102 CA PRO A 967 -17.062 -0.967 8.244 1.00 0.00 C ATOM 1103 C PRO A 967 -18.384 -1.671 7.950 1.00 0.00 C ATOM 1104 O PRO A 967 -19.431 -1.269 8.458 1.00 0.00 O ATOM 1105 CB PRO A 967 -17.313 0.433 8.802 1.00 0.00 C ATOM 1106 CG PRO A 967 -17.302 1.320 7.606 1.00 0.00 C ATOM 1107 CD PRO A 967 -16.315 0.714 6.644 1.00 0.00 C ATOM 0 HA PRO A 967 -16.541 -1.633 8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -18.267 0.486 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -16.541 0.720 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -18.294 1.383 7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -17.010 2.335 7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -16.637 0.837 5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -15.334 1.181 6.730 1.00 0.00 H new ATOM 1115 N ASP A 968 -18.314 -2.726 7.137 1.00 0.00 N ATOM 1116 CA ASP A 968 -19.489 -3.518 6.758 1.00 0.00 C ATOM 1117 C ASP A 968 -20.789 -2.727 6.907 1.00 0.00 C ATOM 1118 O ASP A 968 -21.519 -2.898 7.884 1.00 0.00 O ATOM 1119 CB ASP A 968 -19.555 -4.802 7.591 1.00 0.00 C ATOM 1120 CG ASP A 968 -19.599 -4.534 9.083 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -18.628 -3.956 9.612 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -20.607 -4.903 9.721 1.00 0.00 O ATOM 0 H ASP A 968 -17.443 -3.057 6.722 1.00 0.00 H new ATOM 0 HA ASP A 968 -19.381 -3.775 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -20.439 -5.371 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -18.688 -5.422 7.363 1.00 0.00 H new ATOM 1127 N PRO A 969 -21.093 -1.847 5.934 1.00 0.00 N ATOM 1128 CA PRO A 969 -22.308 -1.028 5.958 1.00 0.00 C ATOM 1129 C PRO A 969 -23.538 -1.825 6.367 1.00 0.00 C ATOM 1130 O PRO A 969 -23.689 -2.990 5.999 1.00 0.00 O ATOM 1131 CB PRO A 969 -22.429 -0.552 4.514 1.00 0.00 C ATOM 1132 CG PRO A 969 -21.022 -0.472 4.034 1.00 0.00 C ATOM 1133 CD PRO A 969 -20.276 -1.580 4.733 1.00 0.00 C ATOM 0 HA PRO A 969 -22.247 -0.220 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -23.015 -1.248 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -22.925 0.417 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -20.972 -0.592 2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -20.586 0.499 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -20.190 -2.465 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -19.263 -1.277 4.997 1.00 0.00 H new ATOM 1141 N VAL A 970 -24.408 -1.183 7.137 1.00 0.00 N ATOM 1142 CA VAL A 970 -25.623 -1.807 7.614 1.00 0.00 C ATOM 1143 C VAL A 970 -26.384 -2.495 6.483 1.00 0.00 C ATOM 1144 O VAL A 970 -26.665 -1.888 5.450 1.00 0.00 O ATOM 1145 CB VAL A 970 -26.521 -0.760 8.281 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -26.676 0.440 7.374 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -27.863 -1.354 8.636 1.00 0.00 C ATOM 0 H VAL A 970 -24.286 -0.218 7.444 1.00 0.00 H new ATOM 0 HA VAL A 970 -25.343 -2.568 8.342 1.00 0.00 H new ATOM 0 HB VAL A 970 -26.051 -0.432 9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -27.316 1.180 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -25.697 0.878 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -27.127 0.128 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -28.484 -0.593 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -28.353 -1.712 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -27.722 -2.186 9.326 1.00 0.00 H new ATOM 1157 N ASN A 971 -26.713 -3.769 6.693 1.00 0.00 N ATOM 1158 CA ASN A 971 -27.440 -4.554 5.701 1.00 0.00 C ATOM 1159 C ASN A 971 -26.821 -4.396 4.316 1.00 0.00 C ATOM 1160 O ASN A 971 -27.526 -4.135 3.340 1.00 0.00 O ATOM 1161 CB ASN A 971 -28.910 -4.130 5.662 1.00 0.00 C ATOM 1162 CG ASN A 971 -29.595 -4.279 7.005 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -30.124 -3.176 7.521 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -29.651 -5.372 7.570 1.00 0.00 N flip ATOM 0 H ASN A 971 -26.485 -4.280 7.546 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.376 -5.603 5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -28.976 -3.091 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -29.438 -4.730 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -29.230 -6.193 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.118 -5.456 8.473 1.00 0.00 H new ATOM 1171 N GLY A 972 -25.502 -4.548 4.231 1.00 0.00 N ATOM 1172 CA GLY A 972 -24.833 -4.406 2.952 1.00 0.00 C ATOM 1173 C GLY A 972 -23.846 -5.518 2.663 1.00 0.00 C ATOM 1174 O GLY A 972 -24.003 -6.641 3.145 1.00 0.00 O ATOM 0 H GLY A 972 -24.890 -4.765 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.581 -4.379 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.310 -3.450 2.928 1.00 0.00 H new ATOM 1178 N MET A 973 -22.832 -5.198 1.861 1.00 0.00 N ATOM 1179 CA MET A 973 -21.805 -6.163 1.476 1.00 0.00 C ATOM 1180 C MET A 973 -20.834 -5.533 0.481 1.00 0.00 C ATOM 1181 O MET A 973 -21.242 -4.760 -0.388 1.00 0.00 O ATOM 1182 CB MET A 973 -22.460 -7.406 0.862 1.00 0.00 C ATOM 1183 CG MET A 973 -21.472 -8.432 0.333 1.00 0.00 C ATOM 1184 SD MET A 973 -22.285 -9.932 -0.253 1.00 0.00 S ATOM 1185 CE MET A 973 -23.449 -9.256 -1.436 1.00 0.00 C ATOM 0 H MET A 973 -22.700 -4.269 1.462 1.00 0.00 H new ATOM 0 HA MET A 973 -21.248 -6.459 2.365 1.00 0.00 H new ATOM 0 HB2 MET A 973 -23.091 -7.880 1.614 1.00 0.00 H new ATOM 0 HB3 MET A 973 -23.114 -7.094 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 973 -20.897 -7.992 -0.482 1.00 0.00 H new ATOM 0 HG3 MET A 973 -20.764 -8.690 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 973 -24.443 -9.658 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 973 -23.472 -8.170 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 973 -23.141 -9.528 -2.446 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.549 -5.859 0.608 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.538 -5.309 -0.290 1.00 0.00 C ATOM 1197 C VAL A 974 -17.544 -6.372 -0.738 1.00 0.00 C ATOM 1198 O VAL A 974 -16.947 -7.068 0.084 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.749 -4.156 0.373 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -17.012 -4.641 1.613 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.763 -3.550 -0.613 1.00 0.00 C ATOM 0 H VAL A 974 -19.186 -6.496 1.318 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.081 -4.929 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.464 -3.391 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.465 -3.810 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.730 -5.032 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.312 -5.429 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.216 -2.740 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.061 -4.316 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.304 -3.159 -1.475 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.355 -6.480 -2.049 1.00 0.00 N ATOM 1212 CA HIS A 975 -16.413 -7.441 -2.595 1.00 0.00 C ATOM 1213 C HIS A 975 -15.030 -6.816 -2.666 1.00 0.00 C ATOM 1214 O HIS A 975 -14.809 -5.865 -3.421 1.00 0.00 O ATOM 1215 CB HIS A 975 -16.831 -7.896 -3.994 1.00 0.00 C ATOM 1216 CG HIS A 975 -18.265 -8.303 -4.105 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -18.869 -9.195 -3.247 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -19.212 -7.940 -5.000 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -20.129 -9.365 -3.607 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -20.363 -8.613 -4.668 1.00 0.00 N ATOM 0 H HIS A 975 -17.840 -5.916 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 975 -16.400 -8.311 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -16.639 -7.087 -4.699 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -16.203 -8.735 -4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -19.087 -7.250 -5.822 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -20.845 -10.009 -3.118 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -21.253 -8.543 -5.161 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.101 -7.354 -1.891 1.00 0.00 N ATOM 1230 CA VAL A 976 -12.738 -6.848 -1.885 1.00 0.00 C ATOM 1231 C VAL A 976 -12.092 -7.092 -3.242 1.00 0.00 C ATOM 1232 O VAL A 976 -11.169 -6.384 -3.644 1.00 0.00 O ATOM 1233 CB VAL A 976 -11.902 -7.500 -0.767 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -10.475 -6.980 -0.786 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -12.553 -7.250 0.587 1.00 0.00 C ATOM 0 H VAL A 976 -14.265 -8.138 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 976 -12.772 -5.776 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 976 -11.867 -8.575 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -9.904 -7.455 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -10.016 -7.211 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -10.479 -5.900 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -11.954 -7.715 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.616 -6.177 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -13.555 -7.679 0.594 1.00 0.00 H new ATOM 1245 N ILE A 977 -12.615 -8.099 -3.938 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.146 -8.484 -5.267 1.00 0.00 C ATOM 1247 C ILE A 977 -10.808 -9.211 -5.189 1.00 0.00 C ATOM 1248 O ILE A 977 -10.639 -10.284 -5.769 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.008 -7.266 -6.207 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -13.220 -6.336 -6.079 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -11.855 -7.732 -7.648 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -14.526 -6.955 -6.528 1.00 0.00 C ATOM 0 H ILE A 977 -13.382 -8.675 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 977 -12.900 -9.155 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.118 -6.709 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -13.317 -6.025 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -13.037 -5.436 -6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -11.759 -6.866 -8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -10.965 -8.355 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -12.732 -8.310 -7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.332 -6.232 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -14.451 -7.241 -7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -14.736 -7.839 -5.925 1.00 0.00 H new ATOM 1264 N THR A 978 -9.864 -8.624 -4.461 1.00 0.00 N ATOM 1265 CA THR A 978 -8.541 -9.216 -4.297 1.00 0.00 C ATOM 1266 C THR A 978 -7.938 -8.850 -2.950 1.00 0.00 C ATOM 1267 O THR A 978 -7.629 -9.720 -2.134 1.00 0.00 O ATOM 1268 CB THR A 978 -7.571 -8.748 -5.397 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.484 -7.319 -5.400 1.00 0.00 O ATOM 1270 CG2 THR A 978 -8.020 -9.233 -6.760 1.00 0.00 C ATOM 0 H THR A 978 -9.991 -7.737 -3.974 1.00 0.00 H new ATOM 0 HA THR A 978 -8.677 -10.295 -4.364 1.00 0.00 H new ATOM 0 HB THR A 978 -6.590 -9.172 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 978 -6.600 -7.044 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 978 -7.317 -8.888 -7.519 1.00 0.00 H new ATOM 0 HG22 THR A 978 -8.054 -10.322 -6.765 1.00 0.00 H new ATOM 0 HG23 THR A 978 -9.012 -8.838 -6.978 1.00 0.00 H new ATOM 1278 N ASP A 979 -7.760 -7.554 -2.733 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.178 -7.056 -1.499 1.00 0.00 C ATOM 1280 C ASP A 979 -7.546 -5.591 -1.294 1.00 0.00 C ATOM 1281 O ASP A 979 -7.645 -4.833 -2.257 1.00 0.00 O ATOM 1282 CB ASP A 979 -5.660 -7.222 -1.542 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.031 -6.511 -2.726 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.374 -6.856 -3.876 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.197 -5.610 -2.502 1.00 0.00 O ATOM 0 H ASP A 979 -8.013 -6.826 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 979 -7.574 -7.630 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -5.229 -6.835 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.415 -8.283 -1.587 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.754 -5.191 -0.045 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.115 -3.810 0.243 1.00 0.00 C ATOM 1292 C ILE A 980 -6.877 -2.932 0.377 1.00 0.00 C ATOM 1293 O ILE A 980 -6.936 -1.832 0.928 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.977 -3.698 1.515 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -8.337 -4.463 2.675 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.385 -4.211 1.241 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -9.194 -4.492 3.923 1.00 0.00 C ATOM 0 H ILE A 980 -7.680 -5.795 0.774 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.706 -3.457 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.039 -2.648 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -8.135 -5.486 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.376 -4.008 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.985 -4.127 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.840 -3.618 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.338 -5.255 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -8.679 -5.050 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -9.375 -3.473 4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -10.146 -4.974 3.700 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.764 -3.413 -0.171 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.512 -2.666 -0.160 1.00 0.00 C ATOM 1311 C GLN A 981 -4.519 -1.633 -1.276 1.00 0.00 C ATOM 1312 O GLN A 981 -5.241 -1.787 -2.260 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.315 -3.603 -0.332 1.00 0.00 C ATOM 1314 CG GLN A 981 -2.964 -4.389 0.919 1.00 0.00 C ATOM 1315 CD GLN A 981 -1.837 -5.379 0.696 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -0.774 -5.251 1.481 1.00 0.00 O flip ATOM 1317 NE2 GLN A 981 -1.924 -6.252 -0.168 1.00 0.00 N flip ATOM 0 H GLN A 981 -5.705 -4.322 -0.630 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.421 -2.163 0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.527 -4.302 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.448 -3.017 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -2.680 -3.695 1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -3.848 -4.924 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -2.760 -6.313 -0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -1.160 -6.914 -0.303 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.718 -0.582 -1.124 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.644 0.467 -2.135 1.00 0.00 C ATOM 1328 C VAL A 982 -3.287 -0.111 -3.505 1.00 0.00 C ATOM 1329 O VAL A 982 -2.122 -0.118 -3.903 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.613 1.548 -1.761 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.599 2.644 -2.813 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -2.913 2.125 -0.387 1.00 0.00 C ATOM 0 H VAL A 982 -3.114 -0.435 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.632 0.925 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.625 1.088 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.866 3.403 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.334 2.217 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.587 3.100 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.173 2.887 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -3.907 2.573 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.875 1.330 0.358 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.299 -0.595 -4.218 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.080 -1.169 -5.533 1.00 0.00 C ATOM 1344 C GLY A 983 -5.197 -2.106 -5.955 1.00 0.00 C ATOM 1345 O GLY A 983 -4.983 -3.012 -6.760 1.00 0.00 O ATOM 0 H GLY A 983 -5.270 -0.600 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -3.988 -0.366 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -3.135 -1.712 -5.535 1.00 0.00 H new ATOM 1349 N SER A 984 -6.391 -1.883 -5.412 1.00 0.00 N ATOM 1350 CA SER A 984 -7.554 -2.706 -5.732 1.00 0.00 C ATOM 1351 C SER A 984 -8.836 -2.003 -5.297 1.00 0.00 C ATOM 1352 O SER A 984 -8.883 -1.378 -4.236 1.00 0.00 O ATOM 1353 CB SER A 984 -7.451 -4.072 -5.053 1.00 0.00 C ATOM 1354 OG SER A 984 -6.322 -4.792 -5.514 1.00 0.00 O ATOM 0 H SER A 984 -6.579 -1.135 -4.745 1.00 0.00 H new ATOM 0 HA SER A 984 -7.581 -2.855 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.384 -3.940 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 984 -8.356 -4.647 -5.248 1.00 0.00 H new ATOM 0 HG SER A 984 -5.935 -4.333 -6.289 1.00 0.00 H new ATOM 1360 N ARG A 985 -9.868 -2.093 -6.130 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.143 -1.449 -5.836 1.00 0.00 C ATOM 1362 C ARG A 985 -12.170 -2.429 -5.277 1.00 0.00 C ATOM 1363 O ARG A 985 -12.406 -3.496 -5.844 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.708 -0.797 -7.097 1.00 0.00 C ATOM 1365 CG ARG A 985 -11.961 -1.787 -8.222 1.00 0.00 C ATOM 1366 CD ARG A 985 -12.648 -1.128 -9.406 1.00 0.00 C ATOM 1367 NE ARG A 985 -12.807 -2.046 -10.532 1.00 0.00 N ATOM 1368 CZ ARG A 985 -13.544 -3.153 -10.488 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -14.199 -3.476 -9.381 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -13.628 -3.937 -11.555 1.00 0.00 N ATOM 0 H ARG A 985 -9.846 -2.605 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 985 -10.949 -0.692 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -12.642 -0.292 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.014 -0.032 -7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -11.014 -2.220 -8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -12.578 -2.607 -7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -13.627 -0.761 -9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -12.068 -0.262 -9.725 1.00 0.00 H new ATOM 0 HE ARG A 985 -12.325 -1.825 -11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -14.139 -2.875 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.763 -4.325 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -13.128 -3.691 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -14.193 -4.786 -11.521 1.00 0.00 H new ATOM 1384 N ILE A 986 -12.800 -2.035 -4.179 1.00 0.00 N ATOM 1385 CA ILE A 986 -13.837 -2.837 -3.546 1.00 0.00 C ATOM 1386 C ILE A 986 -15.210 -2.297 -3.935 1.00 0.00 C ATOM 1387 O ILE A 986 -15.488 -1.110 -3.767 1.00 0.00 O ATOM 1388 CB ILE A 986 -13.707 -2.827 -2.011 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -13.863 -1.402 -1.470 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.370 -3.418 -1.592 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -13.846 -1.312 0.041 1.00 0.00 C ATOM 0 H ILE A 986 -12.607 -1.153 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.721 -3.864 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.503 -3.441 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.060 -0.783 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.800 -0.985 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.291 -3.405 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.299 -4.446 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.561 -2.828 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -13.962 -0.272 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -14.666 -1.903 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -12.898 -1.697 0.418 1.00 0.00 H new ATOM 1403 N THR A 987 -16.067 -3.161 -4.459 1.00 0.00 N ATOM 1404 CA THR A 987 -17.401 -2.730 -4.861 1.00 0.00 C ATOM 1405 C THR A 987 -18.454 -3.185 -3.874 1.00 0.00 C ATOM 1406 O THR A 987 -18.240 -4.108 -3.091 1.00 0.00 O ATOM 1407 CB THR A 987 -17.783 -3.225 -6.262 1.00 0.00 C ATOM 1408 OG1 THR A 987 -19.155 -2.915 -6.536 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.560 -4.717 -6.379 1.00 0.00 C ATOM 0 H THR A 987 -15.869 -4.149 -4.615 1.00 0.00 H new ATOM 0 HA THR A 987 -17.365 -1.641 -4.878 1.00 0.00 H new ATOM 0 HB THR A 987 -17.149 -2.720 -6.991 1.00 0.00 H new ATOM 0 HG1 THR A 987 -19.389 -3.233 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.837 -5.049 -7.380 1.00 0.00 H new ATOM 0 HG22 THR A 987 -16.509 -4.943 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 987 -18.174 -5.235 -5.642 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.591 -2.521 -3.920 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.701 -2.832 -3.029 1.00 0.00 C ATOM 1419 C TYR A 988 -21.907 -3.356 -3.800 1.00 0.00 C ATOM 1420 O TYR A 988 -22.088 -3.047 -4.979 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.095 -1.602 -2.207 1.00 0.00 C ATOM 1422 CG TYR A 988 -20.025 -1.144 -1.239 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.766 -0.760 -1.688 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -20.274 -1.097 0.127 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.789 -0.343 -0.804 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -19.301 -0.681 1.016 1.00 0.00 C ATOM 1427 CZ TYR A 988 -18.062 -0.305 0.546 1.00 0.00 C ATOM 1428 OH TYR A 988 -17.091 0.110 1.429 1.00 0.00 O ATOM 0 H TYR A 988 -19.776 -1.756 -4.569 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.366 -3.618 -2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.331 -0.783 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -22.004 -1.826 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.548 -0.788 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -21.244 -1.390 0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.816 -0.048 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -19.511 -0.651 2.075 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.744 0.982 1.148 1.00 0.00 H new ATOM 1438 N SER A 989 -22.724 -4.156 -3.123 1.00 0.00 N ATOM 1439 CA SER A 989 -23.915 -4.735 -3.734 1.00 0.00 C ATOM 1440 C SER A 989 -25.017 -4.922 -2.693 1.00 0.00 C ATOM 1441 O SER A 989 -25.348 -6.048 -2.319 1.00 0.00 O ATOM 1442 CB SER A 989 -23.579 -6.074 -4.393 1.00 0.00 C ATOM 1443 OG SER A 989 -23.047 -6.988 -3.451 1.00 0.00 O ATOM 0 H SER A 989 -22.582 -4.419 -2.148 1.00 0.00 H new ATOM 0 HA SER A 989 -24.275 -4.048 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 989 -24.477 -6.495 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 989 -22.860 -5.917 -5.197 1.00 0.00 H new ATOM 0 HG SER A 989 -22.280 -7.454 -3.845 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.571 -3.804 -2.229 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.632 -3.817 -1.226 1.00 0.00 C ATOM 1451 C CYS A 990 -27.690 -4.870 -1.538 1.00 0.00 C ATOM 1452 O CYS A 990 -27.997 -5.135 -2.701 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.291 -2.440 -1.132 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.207 -1.140 -0.463 1.00 0.00 S ATOM 0 H CYS A 990 -25.299 -2.870 -2.535 1.00 0.00 H new ATOM 0 HA CYS A 990 -26.174 -4.069 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -27.627 -2.142 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.179 -2.516 -0.504 1.00 0.00 H new ATOM 1459 N THR A 991 -28.245 -5.463 -0.486 1.00 0.00 N ATOM 1460 CA THR A 991 -29.271 -6.486 -0.635 1.00 0.00 C ATOM 1461 C THR A 991 -30.539 -5.918 -1.252 1.00 0.00 C ATOM 1462 O THR A 991 -30.867 -4.747 -1.064 1.00 0.00 O ATOM 1463 CB THR A 991 -29.627 -7.139 0.712 1.00 0.00 C ATOM 1464 OG1 THR A 991 -29.849 -6.131 1.706 1.00 0.00 O ATOM 1465 CG2 THR A 991 -28.526 -8.082 1.165 1.00 0.00 C ATOM 0 H THR A 991 -28.000 -5.251 0.481 1.00 0.00 H new ATOM 0 HA THR A 991 -28.852 -7.242 -1.299 1.00 0.00 H new ATOM 0 HB THR A 991 -30.541 -7.717 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 991 -30.077 -6.557 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 991 -28.801 -8.531 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 991 -28.390 -8.867 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 991 -27.596 -7.526 1.281 1.00 0.00 H new ATOM 1473 N THR A 992 -31.244 -6.766 -1.990 1.00 0.00 N ATOM 1474 CA THR A 992 -32.483 -6.382 -2.654 1.00 0.00 C ATOM 1475 C THR A 992 -33.396 -5.568 -1.734 1.00 0.00 C ATOM 1476 O THR A 992 -34.067 -4.637 -2.181 1.00 0.00 O ATOM 1477 CB THR A 992 -33.244 -7.629 -3.140 1.00 0.00 C ATOM 1478 OG1 THR A 992 -32.460 -8.331 -4.113 1.00 0.00 O ATOM 1479 CG2 THR A 992 -34.590 -7.253 -3.743 1.00 0.00 C ATOM 0 H THR A 992 -30.974 -7.737 -2.145 1.00 0.00 H new ATOM 0 HA THR A 992 -32.207 -5.760 -3.505 1.00 0.00 H new ATOM 0 HB THR A 992 -33.422 -8.273 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 992 -32.949 -9.124 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 992 -35.104 -8.155 -4.077 1.00 0.00 H new ATOM 0 HG22 THR A 992 -35.197 -6.747 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 992 -34.435 -6.588 -4.593 1.00 0.00 H new ATOM 1487 N GLY A 993 -33.425 -5.929 -0.454 1.00 0.00 N ATOM 1488 CA GLY A 993 -34.270 -5.226 0.499 1.00 0.00 C ATOM 1489 C GLY A 993 -33.980 -3.736 0.569 1.00 0.00 C ATOM 1490 O GLY A 993 -34.879 -2.916 0.379 1.00 0.00 O ATOM 0 H GLY A 993 -32.879 -6.695 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -35.315 -5.374 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -34.133 -5.663 1.488 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.730 -3.385 0.853 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.328 -1.991 0.960 1.00 0.00 C ATOM 1496 C HIS A 994 -31.739 -1.491 -0.354 1.00 0.00 C ATOM 1497 O HIS A 994 -31.035 -2.224 -1.049 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.294 -1.836 2.079 1.00 0.00 C ATOM 1499 CG HIS A 994 -31.719 -2.440 3.383 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.131 -3.751 3.509 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -31.783 -1.909 4.629 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -32.432 -3.997 4.771 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.229 -2.896 5.471 1.00 0.00 N ATOM 0 H HIS A 994 -31.976 -4.053 1.014 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.212 -1.396 1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.359 -2.298 1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.091 -0.776 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -31.530 -0.897 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -32.785 -4.939 5.164 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -32.379 -2.796 6.475 1.00 0.00 H new ATOM 1512 N ARG A 995 -32.019 -0.236 -0.685 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.504 0.360 -1.909 1.00 0.00 C ATOM 1514 C ARG A 995 -30.143 0.994 -1.647 1.00 0.00 C ATOM 1515 O ARG A 995 -29.926 1.615 -0.606 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.477 1.410 -2.451 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.752 2.548 -1.482 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.636 3.615 -2.108 1.00 0.00 C ATOM 1519 NE ARG A 995 -34.916 3.073 -2.559 1.00 0.00 N ATOM 1520 CZ ARG A 995 -35.861 3.805 -3.142 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -35.675 5.104 -3.335 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -36.996 3.238 -3.530 1.00 0.00 N ATOM 0 H ARG A 995 -32.599 0.387 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 995 -31.394 -0.426 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -32.074 1.822 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -33.419 0.923 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.233 2.156 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.809 2.995 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.814 4.409 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -33.116 4.066 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 995 -35.094 2.079 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -34.805 5.545 -3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -36.402 5.662 -3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -37.144 2.240 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -37.720 3.800 -3.977 1.00 0.00 H new ATOM 1536 N LEU A 996 -29.226 0.811 -2.588 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.877 1.346 -2.458 1.00 0.00 C ATOM 1538 C LEU A 996 -27.864 2.866 -2.621 1.00 0.00 C ATOM 1539 O LEU A 996 -28.530 3.415 -3.499 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.956 0.686 -3.490 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.468 0.985 -3.334 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.632 -0.067 -4.048 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.158 2.366 -3.867 1.00 0.00 C ATOM 0 H LEU A 996 -29.392 0.295 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.512 1.120 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -27.098 -0.393 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -27.269 1.003 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 996 -25.215 0.955 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.574 0.164 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.841 -1.048 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.881 -0.071 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.094 2.570 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.425 2.417 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.732 3.108 -3.312 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.087 3.534 -1.773 1.00 0.00 N ATOM 1556 CA ILE A 997 -26.961 4.988 -1.814 1.00 0.00 C ATOM 1557 C ILE A 997 -25.522 5.399 -2.124 1.00 0.00 C ATOM 1558 O ILE A 997 -24.574 4.829 -1.585 1.00 0.00 O ATOM 1559 CB ILE A 997 -27.402 5.641 -0.481 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -28.921 5.616 -0.337 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -26.900 7.065 -0.373 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -29.454 4.297 0.145 1.00 0.00 C ATOM 0 H ILE A 997 -26.531 3.087 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 997 -27.620 5.341 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.962 5.057 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -29.225 6.398 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -29.374 5.852 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -27.227 7.495 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -25.811 7.071 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -27.301 7.655 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -30.540 4.350 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.180 3.514 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.030 4.068 1.123 1.00 0.00 H new ATOM 1574 N GLY A 998 -25.369 6.395 -2.994 1.00 0.00 N ATOM 1575 CA GLY A 998 -24.046 6.870 -3.361 1.00 0.00 C ATOM 1576 C GLY A 998 -23.443 6.106 -4.526 1.00 0.00 C ATOM 1577 O GLY A 998 -24.149 5.726 -5.458 1.00 0.00 O ATOM 0 H GLY A 998 -26.140 6.882 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -24.104 7.928 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.384 6.788 -2.499 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.129 5.891 -4.475 1.00 0.00 N ATOM 1582 CA HIS A 999 -21.427 5.177 -5.540 1.00 0.00 C ATOM 1583 C HIS A 999 -21.572 3.664 -5.374 1.00 0.00 C ATOM 1584 O HIS A 999 -22.663 3.165 -5.114 1.00 0.00 O ATOM 1585 CB HIS A 999 -19.945 5.567 -5.558 1.00 0.00 C ATOM 1586 CG HIS A 999 -19.700 7.034 -5.743 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -18.449 7.559 -5.985 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -20.546 8.091 -5.710 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -18.536 8.873 -6.092 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -19.798 9.220 -5.930 1.00 0.00 N ATOM 0 H HIS A 999 -21.530 6.200 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 999 -21.878 5.461 -6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -19.485 5.248 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -19.447 5.022 -6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -21.612 8.052 -5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -17.714 9.548 -6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -20.159 10.173 -5.963 1.00 0.00 H new ATOM 1599 N SER A1000 -20.464 2.938 -5.526 1.00 0.00 N ATOM 1600 CA SER A1000 -20.472 1.484 -5.391 1.00 0.00 C ATOM 1601 C SER A1000 -19.047 0.939 -5.391 1.00 0.00 C ATOM 1602 O SER A1000 -18.642 0.233 -4.469 1.00 0.00 O ATOM 1603 CB SER A1000 -21.275 0.847 -6.527 1.00 0.00 C ATOM 1604 OG SER A1000 -21.285 -0.565 -6.415 1.00 0.00 O ATOM 0 H SER A1000 -19.550 3.335 -5.743 1.00 0.00 H new ATOM 0 HA SER A1000 -20.944 1.231 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A1000 -22.298 1.224 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A1000 -20.846 1.136 -7.486 1.00 0.00 H new ATOM 0 HG SER A1000 -21.822 -0.828 -5.638 1.00 0.00 H new ATOM 1610 N SER A1001 -18.290 1.282 -6.428 1.00 0.00 N ATOM 1611 CA SER A1001 -16.904 0.843 -6.545 1.00 0.00 C ATOM 1612 C SER A1001 -15.966 1.869 -5.915 1.00 0.00 C ATOM 1613 O SER A1001 -16.191 3.074 -6.031 1.00 0.00 O ATOM 1614 CB SER A1001 -16.535 0.627 -8.014 1.00 0.00 C ATOM 1615 OG SER A1001 -16.638 1.832 -8.750 1.00 0.00 O ATOM 0 H SER A1001 -18.614 1.864 -7.201 1.00 0.00 H new ATOM 0 HA SER A1001 -16.797 -0.103 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A1001 -15.518 0.241 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.192 -0.126 -8.450 1.00 0.00 H new ATOM 0 HG SER A1001 -16.395 1.666 -9.685 1.00 0.00 H new ATOM 1621 N ALA A1002 -14.916 1.395 -5.251 1.00 0.00 N ATOM 1622 CA ALA A1002 -13.958 2.296 -4.613 1.00 0.00 C ATOM 1623 C ALA A1002 -12.598 1.632 -4.423 1.00 0.00 C ATOM 1624 O ALA A1002 -12.491 0.595 -3.777 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.500 2.777 -3.275 1.00 0.00 C ATOM 0 H ALA A1002 -14.707 0.403 -5.140 1.00 0.00 H new ATOM 0 HA ALA A1002 -13.818 3.152 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -13.777 3.447 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -15.439 3.308 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.673 1.921 -2.623 1.00 0.00 H new ATOM 1631 N GLU A1003 -11.560 2.244 -4.988 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.205 1.713 -4.881 1.00 0.00 C ATOM 1633 C GLU A1003 -9.437 2.380 -3.746 1.00 0.00 C ATOM 1634 O GLU A1003 -9.532 3.589 -3.548 1.00 0.00 O ATOM 1635 CB GLU A1003 -9.446 1.923 -6.194 1.00 0.00 C ATOM 1636 CG GLU A1003 -8.078 1.260 -6.217 1.00 0.00 C ATOM 1637 CD GLU A1003 -7.343 1.485 -7.524 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -7.870 1.073 -8.580 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -6.242 2.073 -7.492 1.00 0.00 O ATOM 0 H GLU A1003 -11.632 3.108 -5.525 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.286 0.647 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.044 1.532 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -9.326 2.992 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -7.477 1.648 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -8.194 0.189 -6.050 1.00 0.00 H new ATOM 1646 N CYS A1004 -8.662 1.587 -3.015 1.00 0.00 N ATOM 1647 CA CYS A1004 -7.862 2.110 -1.914 1.00 0.00 C ATOM 1648 C CYS A1004 -6.734 2.974 -2.464 1.00 0.00 C ATOM 1649 O CYS A1004 -5.944 2.516 -3.289 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.294 0.955 -1.090 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.048 1.441 0.146 1.00 0.00 S ATOM 0 H CYS A1004 -8.571 0.582 -3.164 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.492 2.722 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.116 0.453 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -6.848 0.228 -1.768 1.00 0.00 H new ATOM 1656 N ILE A1005 -6.675 4.233 -2.033 1.00 0.00 N ATOM 1657 CA ILE A1005 -5.650 5.140 -2.529 1.00 0.00 C ATOM 1658 C ILE A1005 -5.062 6.034 -1.445 1.00 0.00 C ATOM 1659 O ILE A1005 -5.771 6.522 -0.559 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.193 6.031 -3.658 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.495 6.709 -3.224 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -6.398 5.210 -4.919 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.062 7.658 -4.259 1.00 0.00 C ATOM 0 H ILE A1005 -7.316 4.641 -1.352 1.00 0.00 H new ATOM 0 HA ILE A1005 -4.855 4.496 -2.906 1.00 0.00 H new ATOM 0 HB ILE A1005 -5.464 6.812 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.237 5.942 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.318 7.258 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -6.783 5.851 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -5.447 4.778 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -7.112 4.410 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -8.984 8.100 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.339 8.447 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -8.272 7.111 -5.178 1.00 0.00 H new ATOM 1675 N LEU A1006 -3.753 6.253 -1.566 1.00 0.00 N ATOM 1676 CA LEU A1006 -2.990 7.107 -0.656 1.00 0.00 C ATOM 1677 C LEU A1006 -3.303 6.852 0.810 1.00 0.00 C ATOM 1678 O LEU A1006 -4.424 6.519 1.183 1.00 0.00 O ATOM 1679 CB LEU A1006 -3.232 8.583 -0.982 1.00 0.00 C ATOM 1680 CG LEU A1006 -2.401 9.589 -0.168 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -2.919 9.727 1.257 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -0.928 9.194 -0.174 1.00 0.00 C ATOM 0 H LEU A1006 -3.187 5.838 -2.306 1.00 0.00 H new ATOM 0 HA LEU A1006 -1.941 6.855 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -3.026 8.741 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -4.288 8.802 -0.827 1.00 0.00 H new ATOM 0 HG LEU A1006 -2.502 10.564 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -2.305 10.446 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -3.952 10.074 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -2.871 8.760 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A1006 -0.355 9.917 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A1006 -0.815 8.203 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A1006 -0.560 9.179 -1.200 1.00 0.00 H new ATOM 1694 N SER A1007 -2.305 7.049 1.651 1.00 0.00 N ATOM 1695 CA SER A1007 -2.496 6.880 3.069 1.00 0.00 C ATOM 1696 C SER A1007 -1.469 7.664 3.868 1.00 0.00 C ATOM 1697 O SER A1007 -1.662 8.848 4.141 1.00 0.00 O ATOM 1698 CB SER A1007 -2.449 5.418 3.438 1.00 0.00 C ATOM 1699 OG SER A1007 -3.377 4.666 2.676 1.00 0.00 O ATOM 0 H SER A1007 -1.363 7.324 1.374 1.00 0.00 H new ATOM 0 HA SER A1007 -3.481 7.274 3.320 1.00 0.00 H new ATOM 0 HB2 SER A1007 -1.443 5.031 3.275 1.00 0.00 H new ATOM 0 HB3 SER A1007 -2.667 5.301 4.500 1.00 0.00 H new ATOM 0 HG SER A1007 -3.552 3.812 3.124 1.00 0.00 H new ATOM 1705 N GLY A1008 -0.386 6.999 4.263 1.00 0.00 N ATOM 1706 CA GLY A1008 0.620 7.672 5.052 1.00 0.00 C ATOM 1707 C GLY A1008 0.020 8.155 6.348 1.00 0.00 C ATOM 1708 O GLY A1008 -0.346 7.354 7.208 1.00 0.00 O ATOM 0 H GLY A1008 -0.192 6.020 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A1008 1.448 6.993 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A1008 1.028 8.515 4.494 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.125 9.464 6.473 1.00 0.00 N ATOM 1713 CA ASN A1009 -0.735 10.044 7.654 1.00 0.00 C ATOM 1714 C ASN A1009 -2.204 9.656 7.709 1.00 0.00 C ATOM 1715 O ASN A1009 -2.788 9.526 8.785 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.622 11.566 7.631 1.00 0.00 C ATOM 1717 CG ASN A1009 0.816 12.045 7.668 1.00 0.00 C ATOM 1718 OD1 ASN A1009 1.554 11.756 8.611 1.00 0.00 O ATOM 1719 ND2 ASN A1009 1.222 12.781 6.641 1.00 0.00 N ATOM 0 H ASN A1009 0.171 10.143 5.771 1.00 0.00 H new ATOM 0 HA ASN A1009 -0.213 9.665 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -1.105 11.949 6.732 1.00 0.00 H new ATOM 0 HB3 ASN A1009 -1.161 11.979 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A1009 2.179 13.131 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A1009 0.577 12.996 5.881 1.00 0.00 H new ATOM 1726 N THR A1010 -2.803 9.509 6.529 1.00 0.00 N ATOM 1727 CA THR A1010 -4.215 9.178 6.433 1.00 0.00 C ATOM 1728 C THR A1010 -4.541 8.346 5.191 1.00 0.00 C ATOM 1729 O THR A1010 -4.350 8.803 4.065 1.00 0.00 O ATOM 1730 CB THR A1010 -5.033 10.466 6.354 1.00 0.00 C ATOM 1731 OG1 THR A1010 -4.624 11.374 7.384 1.00 0.00 O ATOM 1732 CG2 THR A1010 -6.513 10.176 6.493 1.00 0.00 C ATOM 0 H THR A1010 -2.331 9.614 5.631 1.00 0.00 H new ATOM 0 HA THR A1010 -4.463 8.593 7.319 1.00 0.00 H new ATOM 0 HB THR A1010 -4.856 10.919 5.379 1.00 0.00 H new ATOM 0 HG1 THR A1010 -5.153 12.197 7.324 1.00 0.00 H new ATOM 0 HG21 THR A1010 -7.074 11.109 6.434 1.00 0.00 H new ATOM 0 HG22 THR A1010 -6.830 9.510 5.690 1.00 0.00 H new ATOM 0 HG23 THR A1010 -6.702 9.700 7.455 1.00 0.00 H new ATOM 1740 N ALA A1011 -5.074 7.143 5.404 1.00 0.00 N ATOM 1741 CA ALA A1011 -5.467 6.266 4.301 1.00 0.00 C ATOM 1742 C ALA A1011 -6.889 6.585 3.860 1.00 0.00 C ATOM 1743 O ALA A1011 -7.752 6.830 4.704 1.00 0.00 O ATOM 1744 CB ALA A1011 -5.357 4.807 4.721 1.00 0.00 C ATOM 0 H ALA A1011 -5.244 6.753 6.331 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.794 6.436 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -5.653 4.166 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -4.327 4.586 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -6.012 4.623 5.572 1.00 0.00 H new ATOM 1750 N HIS A1012 -7.152 6.607 2.549 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.500 6.930 2.094 1.00 0.00 C ATOM 1752 C HIS A1012 -8.851 6.296 0.752 1.00 0.00 C ATOM 1753 O HIS A1012 -8.104 6.394 -0.218 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.663 8.446 2.001 1.00 0.00 C ATOM 1755 CG HIS A1012 -7.597 9.120 1.191 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -7.854 10.210 0.385 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -6.264 8.872 1.072 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -6.736 10.599 -0.197 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -5.760 9.808 0.203 1.00 0.00 N ATOM 0 H HIS A1012 -6.475 6.412 1.811 1.00 0.00 H new ATOM 0 HA HIS A1012 -9.187 6.514 2.830 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.636 8.671 1.564 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.661 8.865 3.007 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -8.767 10.647 0.259 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -5.709 8.089 1.567 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -6.637 11.426 -0.885 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.023 5.666 0.704 1.00 0.00 N ATOM 1769 CA TRP A1013 -10.507 5.041 -0.515 1.00 0.00 C ATOM 1770 C TRP A1013 -10.886 6.105 -1.536 1.00 0.00 C ATOM 1771 O TRP A1013 -11.024 7.282 -1.199 1.00 0.00 O ATOM 1772 CB TRP A1013 -11.705 4.133 -0.229 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.357 2.932 0.598 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.234 2.873 1.956 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.063 1.619 0.110 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -10.901 1.597 2.343 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -10.786 0.811 1.228 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.014 1.046 -1.163 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.461 -0.538 1.110 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.691 -0.292 -1.278 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.419 -1.071 -0.148 1.00 0.00 C ATOM 0 H TRP A1013 -10.654 5.577 1.501 1.00 0.00 H new ATOM 0 HA TRP A1013 -9.705 4.426 -0.923 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.474 4.709 0.286 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.135 3.802 -1.174 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.377 3.706 2.628 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -10.762 1.286 3.305 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.225 1.638 -2.041 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.250 -1.141 1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.648 -0.745 -2.257 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.171 -2.115 -0.272 1.00 0.00 H new ATOM 1792 N SER A1014 -11.048 5.688 -2.781 1.00 0.00 N ATOM 1793 CA SER A1014 -11.404 6.604 -3.855 1.00 0.00 C ATOM 1794 C SER A1014 -12.774 7.233 -3.620 1.00 0.00 C ATOM 1795 O SER A1014 -13.001 8.390 -3.974 1.00 0.00 O ATOM 1796 CB SER A1014 -11.392 5.871 -5.194 1.00 0.00 C ATOM 1797 OG SER A1014 -12.406 4.883 -5.243 1.00 0.00 O ATOM 0 H SER A1014 -10.938 4.717 -3.075 1.00 0.00 H new ATOM 0 HA SER A1014 -10.663 7.404 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.536 6.585 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A1014 -10.419 5.406 -5.349 1.00 0.00 H new ATOM 0 HG SER A1014 -12.596 4.655 -6.177 1.00 0.00 H new ATOM 1803 N THR A1015 -13.691 6.464 -3.032 1.00 0.00 N ATOM 1804 CA THR A1015 -15.041 6.957 -2.771 1.00 0.00 C ATOM 1805 C THR A1015 -15.615 6.371 -1.485 1.00 0.00 C ATOM 1806 O THR A1015 -15.372 5.209 -1.155 1.00 0.00 O ATOM 1807 CB THR A1015 -15.997 6.623 -3.934 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.141 5.204 -4.058 1.00 0.00 O ATOM 1809 CG2 THR A1015 -15.477 7.195 -5.242 1.00 0.00 C ATOM 0 H THR A1015 -13.524 5.504 -2.730 1.00 0.00 H new ATOM 0 HA THR A1015 -14.958 8.039 -2.668 1.00 0.00 H new ATOM 0 HB THR A1015 -16.967 7.071 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A1015 -16.082 4.951 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A1015 -16.168 6.947 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A1015 -15.393 8.278 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A1015 -14.497 6.771 -5.461 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.382 7.187 -0.769 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.005 6.766 0.483 1.00 0.00 C ATOM 1819 C LYS A1016 -17.897 5.544 0.268 1.00 0.00 C ATOM 1820 O LYS A1016 -18.531 5.403 -0.778 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.822 7.912 1.078 1.00 0.00 C ATOM 1822 CG LYS A1016 -16.984 9.130 1.436 1.00 0.00 C ATOM 1823 CD LYS A1016 -17.835 10.245 2.020 1.00 0.00 C ATOM 1824 CE LYS A1016 -18.821 10.789 0.998 1.00 0.00 C ATOM 1825 NZ LYS A1016 -18.130 11.361 -0.189 1.00 0.00 N ATOM 0 H LYS A1016 -16.588 8.150 -1.036 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.213 6.493 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -18.592 8.207 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.334 7.557 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -16.215 8.845 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -16.470 9.493 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -18.378 9.872 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -17.190 11.051 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -19.491 9.990 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -19.440 11.557 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -18.800 11.940 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -17.335 11.954 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -17.772 10.589 -0.787 1.00 0.00 H new ATOM 1839 N PRO A1017 -17.950 4.636 1.260 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.762 3.415 1.176 1.00 0.00 C ATOM 1841 C PRO A1017 -20.257 3.707 1.046 1.00 0.00 C ATOM 1842 O PRO A1017 -20.828 4.441 1.854 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.475 2.694 2.500 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.214 3.300 3.012 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.221 4.722 2.535 1.00 0.00 C ATOM 0 HA PRO A1017 -18.510 2.830 0.292 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.293 2.831 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.362 1.621 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.171 3.253 4.100 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.342 2.765 2.635 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.721 5.383 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.211 5.107 2.398 1.00 0.00 H new ATOM 1853 N PRO A1018 -20.913 3.125 0.024 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.350 3.313 -0.216 1.00 0.00 C ATOM 1855 C PRO A1018 -23.206 2.810 0.944 1.00 0.00 C ATOM 1856 O PRO A1018 -22.822 1.880 1.652 1.00 0.00 O ATOM 1857 CB PRO A1018 -22.625 2.479 -1.474 1.00 0.00 C ATOM 1858 CG PRO A1018 -21.292 2.279 -2.108 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.304 2.237 -0.979 1.00 0.00 C ATOM 0 HA PRO A1018 -22.601 4.368 -0.325 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -23.088 1.525 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.308 2.996 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -21.268 1.354 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.062 3.090 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.172 1.225 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -19.321 2.592 -1.289 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.366 3.434 1.133 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.276 3.049 2.208 1.00 0.00 C ATOM 1869 C ILE A1019 -26.392 2.150 1.698 1.00 0.00 C ATOM 1870 O ILE A1019 -26.988 2.416 0.656 1.00 0.00 O ATOM 1871 CB ILE A1019 -25.939 4.271 2.863 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -24.898 5.298 3.294 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.778 3.833 4.056 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -25.522 6.559 3.843 1.00 0.00 C ATOM 0 H ILE A1019 -24.698 4.207 0.556 1.00 0.00 H new ATOM 0 HA ILE A1019 -24.663 2.520 2.938 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.588 4.743 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.250 4.858 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.267 5.550 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -27.244 4.706 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -27.552 3.142 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -26.140 3.337 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -24.737 7.256 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -26.149 7.018 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.132 6.314 4.713 1.00 0.00 H new ATOM 1886 N CYS A1020 -26.694 1.105 2.453 1.00 0.00 N ATOM 1887 CA CYS A1020 -27.763 0.193 2.087 1.00 0.00 C ATOM 1888 C CYS A1020 -29.024 0.539 2.871 1.00 0.00 C ATOM 1889 O CYS A1020 -29.334 -0.088 3.883 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.345 -1.252 2.345 1.00 0.00 C ATOM 1891 SG CYS A1020 -25.850 -1.759 1.436 1.00 0.00 S ATOM 0 H CYS A1020 -26.214 0.869 3.321 1.00 0.00 H new ATOM 0 HA CYS A1020 -27.971 0.297 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -27.172 -1.385 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.167 -1.913 2.070 1.00 0.00 H new ATOM 1896 N GLN A1021 -29.727 1.565 2.407 1.00 0.00 N ATOM 1897 CA GLN A1021 -30.937 2.034 3.071 1.00 0.00 C ATOM 1898 C GLN A1021 -32.184 1.342 2.523 1.00 0.00 C ATOM 1899 O GLN A1021 -32.493 1.460 1.340 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.054 3.548 2.890 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.055 4.212 3.813 1.00 0.00 C ATOM 1902 CD GLN A1021 -32.182 5.700 3.556 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -32.624 6.121 2.487 1.00 0.00 O ATOM 1904 NE2 GLN A1021 -31.781 6.505 4.532 1.00 0.00 N ATOM 0 H GLN A1021 -29.478 2.091 1.569 1.00 0.00 H new ATOM 0 HA GLN A1021 -30.866 1.789 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -30.074 3.998 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.335 3.758 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.029 3.740 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -31.754 4.050 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -31.421 6.112 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -31.833 7.517 4.412 1.00 0.00 H new ATOM 1913 N ARG A1022 -32.891 0.625 3.397 1.00 0.00 N ATOM 1914 CA ARG A1022 -34.107 -0.092 3.016 1.00 0.00 C ATOM 1915 C ARG A1022 -34.977 0.728 2.087 1.00 0.00 C ATOM 1916 O ARG A1022 -35.095 1.947 2.223 1.00 0.00 O ATOM 1917 CB ARG A1022 -34.912 -0.484 4.255 1.00 0.00 C ATOM 1918 CG ARG A1022 -35.504 0.702 4.997 1.00 0.00 C ATOM 1919 CD ARG A1022 -36.424 0.252 6.116 1.00 0.00 C ATOM 1920 NE ARG A1022 -35.711 -0.503 7.142 1.00 0.00 N ATOM 1921 CZ ARG A1022 -36.291 -1.003 8.229 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -37.592 -0.833 8.430 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -35.571 -1.674 9.116 1.00 0.00 N ATOM 0 H ARG A1022 -32.639 0.525 4.380 1.00 0.00 H new ATOM 0 HA ARG A1022 -33.794 -0.991 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -35.718 -1.154 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -34.268 -1.042 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -34.701 1.314 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -36.058 1.330 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -36.896 1.124 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -37.223 -0.364 5.703 1.00 0.00 H new ATOM 0 HE ARG A1022 -34.710 -0.656 7.018 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -38.150 -0.317 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -38.034 -1.218 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -34.571 -1.807 8.965 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -36.017 -2.057 9.950 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.582 0.036 1.140 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.449 0.660 0.166 1.00 0.00 C ATOM 1939 C ILE A1023 -37.791 1.042 0.788 1.00 0.00 C ATOM 1940 O ILE A1023 -38.403 0.245 1.500 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.687 -0.283 -1.021 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.364 -0.591 -1.730 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.680 0.334 -1.978 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -35.508 -1.541 -2.899 1.00 0.00 C ATOM 0 H ILE A1023 -35.485 -0.973 1.027 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.955 1.566 -0.184 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.100 -1.222 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.925 0.342 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.667 -1.018 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -37.844 -0.341 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.624 0.506 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -37.289 1.283 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -34.531 -1.712 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -35.917 -2.489 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -36.180 -1.107 -3.640 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.266 2.273 0.526 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.542 2.766 1.061 1.00 0.00 C ATOM 1958 C PRO A1024 -40.745 2.044 0.460 1.00 0.00 C ATOM 1959 O PRO A1024 -40.643 0.822 0.220 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.541 4.241 0.653 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.691 4.284 -0.564 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.599 3.288 -0.312 1.00 0.00 C ATOM 1963 OXT PRO A1024 -41.780 2.706 0.234 1.00 0.00 O ATOM 0 HA PRO A1024 -39.627 2.603 2.135 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.550 4.597 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -39.136 4.872 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -39.264 4.025 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.285 5.282 -0.726 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.220 2.860 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.750 3.740 0.200 1.00 0.00 H new