USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=40 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 978 THR OG1 : rot -110:sc= 0.595 USER MOD Set 1.2: A 984 SER OG : rot -172:sc= 0.127 USER MOD Set 2.1: A 973 MET CE :methyl 155:sc= 0 (180deg=0) USER MOD Set 2.2: A 975 HIS : no HD1:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 2.3: A 987 THR OG1 : rot 180:sc= -1.52 USER MOD Set 3.1: A 927 SER OG : rot -47:sc= 0.727 USER MOD Set 3.2: A 944 THR OG1 : rot 52:sc= 1.73 USER MOD Single : A 901 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.7!) USER MOD Single : A 903 GLN : amide:sc= -1.97 X(o=-2,f=-2.1) USER MOD Single : A 907 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-1.7!) USER MOD Single : A 912 LYS NZ :NH3+ 163:sc= -0.0706 (180deg=-0.366) USER MOD Single : A 914 LYS NZ :NH3+ -153:sc= 0.561 (180deg=-0.313) USER MOD Single : A 915 THR OG1 : rot 170:sc= -2.23! USER MOD Single : A 916 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 917 THR OG1 : rot -55:sc= -1.1 USER MOD Single : A 918 THR OG1 : rot -66:sc= 0.0492 USER MOD Single : A 920 SER OG : rot 180:sc=-0.00183 USER MOD Single : A 926 THR OG1 : rot 12:sc= 1.08 USER MOD Single : A 929 LYS NZ :NH3+ -131:sc= -5.34! (180deg=-11.2!) USER MOD Single : A 930 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot 29:sc= 0.0202 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 USER MOD Single : A 953 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 955 LYS NZ :NH3+ -166:sc= -0.0353 (180deg=-0.25) USER MOD Single : A 959 LYS NZ :NH3+ -139:sc= -3.2! (180deg=-6.67!) USER MOD Single : A 961 LYS NZ :NH3+ 144:sc= 0 (180deg=-1.52) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN :FLIP amide:sc= -1.02 F(o=-2!,f=-1) USER MOD Single : A 981 GLN :FLIP amide:sc= -5.57! C(o=-11!,f=-5.6!) USER MOD Single : A 988 TYR OH : rot 90:sc= -0.0429 USER MOD Single : A 989 SER OG : rot 180:sc= 0 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 994 HIS : no HD1:sc= -0.735 K(o=-0.73,f=-2.2) USER MOD Single : A 999 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3!) USER MOD Single : A1000 SER OG : rot -35:sc= 0.608 USER MOD Single : A1001 SER OG : rot 61:sc= 0.326 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -4.01! C(o=-4!,f=-8.3!) USER MOD Single : A1014 SER OG : rot 64:sc= 0.482 USER MOD Single : A1015 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A1016 LYS NZ :NH3+ 166:sc= -0.0287 (180deg=-0.282) USER MOD Single : A1021 GLN :FLIP amide:sc= -0.215 F(o=-3.1!,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 38.042 -3.891 -4.525 1.00 0.00 N ATOM 44 CA ALA A 900 36.672 -4.381 -4.641 1.00 0.00 C ATOM 45 C ALA A 900 35.648 -3.255 -4.559 1.00 0.00 C ATOM 46 O ALA A 900 35.812 -2.306 -3.791 1.00 0.00 O ATOM 47 CB ALA A 900 36.394 -5.407 -3.558 1.00 0.00 C ATOM 0 HA ALA A 900 36.575 -4.843 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 900 35.370 -5.767 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 900 37.084 -6.244 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 900 36.528 -4.948 -2.579 1.00 0.00 H new ATOM 53 N HIS A 901 34.579 -3.383 -5.341 1.00 0.00 N ATOM 54 CA HIS A 901 33.504 -2.395 -5.351 1.00 0.00 C ATOM 55 C HIS A 901 32.176 -3.058 -5.699 1.00 0.00 C ATOM 56 O HIS A 901 32.065 -3.753 -6.709 1.00 0.00 O ATOM 57 CB HIS A 901 33.790 -1.276 -6.353 1.00 0.00 C ATOM 58 CG HIS A 901 35.067 -0.544 -6.107 1.00 0.00 C ATOM 59 ND1 HIS A 901 36.307 -1.062 -6.412 1.00 0.00 N ATOM 60 CD2 HIS A 901 35.294 0.678 -5.574 1.00 0.00 C ATOM 61 CE1 HIS A 901 37.241 -0.189 -6.078 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.651 0.876 -5.568 1.00 0.00 N ATOM 0 H HIS A 901 34.434 -4.166 -5.979 1.00 0.00 H new ATOM 0 HA HIS A 901 33.445 -1.962 -4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.816 -1.700 -7.357 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.966 -0.563 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.545 1.370 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 901 38.305 -0.324 -6.201 1.00 0.00 H new ATOM 0 HE2 HIS A 901 37.127 1.710 -5.225 1.00 0.00 H new ATOM 71 N CYS A 902 31.169 -2.838 -4.858 1.00 0.00 N ATOM 72 CA CYS A 902 29.848 -3.415 -5.081 1.00 0.00 C ATOM 73 C CYS A 902 29.039 -2.569 -6.055 1.00 0.00 C ATOM 74 O CYS A 902 28.897 -1.360 -5.872 1.00 0.00 O ATOM 75 CB CYS A 902 29.098 -3.543 -3.757 1.00 0.00 C ATOM 76 SG CYS A 902 29.042 -1.999 -2.797 1.00 0.00 S ATOM 0 H CYS A 902 31.243 -2.265 -4.017 1.00 0.00 H new ATOM 0 HA CYS A 902 29.981 -4.406 -5.515 1.00 0.00 H new ATOM 0 HB2 CYS A 902 28.079 -3.873 -3.957 1.00 0.00 H new ATOM 0 HB3 CYS A 902 29.572 -4.318 -3.155 1.00 0.00 H new ATOM 81 N GLN A 903 28.504 -3.212 -7.084 1.00 0.00 N ATOM 82 CA GLN A 903 27.701 -2.518 -8.084 1.00 0.00 C ATOM 83 C GLN A 903 26.335 -2.142 -7.528 1.00 0.00 C ATOM 84 O GLN A 903 25.990 -2.493 -6.395 1.00 0.00 O ATOM 85 CB GLN A 903 27.546 -3.380 -9.336 1.00 0.00 C ATOM 86 CG GLN A 903 27.144 -4.812 -9.036 1.00 0.00 C ATOM 87 CD GLN A 903 25.710 -4.931 -8.563 1.00 0.00 C ATOM 88 OE1 GLN A 903 24.772 -4.780 -9.345 1.00 0.00 O ATOM 89 NE2 GLN A 903 25.531 -5.179 -7.270 1.00 0.00 N ATOM 0 H GLN A 903 28.611 -4.213 -7.249 1.00 0.00 H new ATOM 0 HA GLN A 903 28.221 -1.598 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.798 -2.929 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 903 28.487 -3.382 -9.885 1.00 0.00 H new ATOM 0 HG2 GLN A 903 27.278 -5.418 -9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 903 27.808 -5.219 -8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 903 26.338 -5.297 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 903 24.587 -5.251 -6.890 1.00 0.00 H new ATOM 98 N ALA A 904 25.566 -1.421 -8.339 1.00 0.00 N ATOM 99 CA ALA A 904 24.229 -0.983 -7.952 1.00 0.00 C ATOM 100 C ALA A 904 23.419 -2.129 -7.352 1.00 0.00 C ATOM 101 O ALA A 904 23.324 -3.206 -7.941 1.00 0.00 O ATOM 102 CB ALA A 904 23.502 -0.393 -9.150 1.00 0.00 C ATOM 0 H ALA A 904 25.848 -1.126 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 904 24.336 -0.214 -7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 904 22.506 -0.070 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 904 24.061 0.462 -9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 904 23.417 -1.148 -9.932 1.00 0.00 H new ATOM 108 N PRO A 905 22.821 -1.914 -6.168 1.00 0.00 N ATOM 109 CA PRO A 905 22.016 -2.938 -5.495 1.00 0.00 C ATOM 110 C PRO A 905 20.718 -3.238 -6.237 1.00 0.00 C ATOM 111 O PRO A 905 19.697 -2.595 -5.992 1.00 0.00 O ATOM 112 CB PRO A 905 21.718 -2.317 -4.130 1.00 0.00 C ATOM 113 CG PRO A 905 21.811 -0.848 -4.355 1.00 0.00 C ATOM 114 CD PRO A 905 22.877 -0.659 -5.396 1.00 0.00 C ATOM 0 HA PRO A 905 22.539 -3.893 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.728 -2.601 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 905 22.435 -2.649 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 905 20.857 -0.443 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 905 22.068 -0.327 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 905 22.677 0.209 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.858 -0.507 -4.945 1.00 0.00 H new ATOM 122 N ASP A 906 20.771 -4.228 -7.131 1.00 0.00 N ATOM 123 CA ASP A 906 19.611 -4.642 -7.917 1.00 0.00 C ATOM 124 C ASP A 906 18.663 -3.469 -8.159 1.00 0.00 C ATOM 125 O ASP A 906 19.094 -2.379 -8.537 1.00 0.00 O ATOM 126 CB ASP A 906 18.894 -5.786 -7.197 1.00 0.00 C ATOM 127 CG ASP A 906 18.025 -6.620 -8.125 1.00 0.00 C ATOM 128 OD1 ASP A 906 17.112 -6.055 -8.763 1.00 0.00 O ATOM 129 OD2 ASP A 906 18.261 -7.843 -8.213 1.00 0.00 O ATOM 0 H ASP A 906 21.617 -4.762 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 906 19.950 -4.990 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 906 19.635 -6.431 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 906 18.274 -5.375 -6.400 1.00 0.00 H new ATOM 134 N HIS A 907 17.380 -3.698 -7.939 1.00 0.00 N ATOM 135 CA HIS A 907 16.369 -2.664 -8.128 1.00 0.00 C ATOM 136 C HIS A 907 15.083 -3.034 -7.397 1.00 0.00 C ATOM 137 O HIS A 907 14.377 -3.961 -7.795 1.00 0.00 O ATOM 138 CB HIS A 907 16.085 -2.469 -9.619 1.00 0.00 C ATOM 139 CG HIS A 907 15.176 -1.317 -9.916 1.00 0.00 C ATOM 140 ND1 HIS A 907 13.883 -1.234 -9.443 1.00 0.00 N ATOM 141 CD2 HIS A 907 15.381 -0.193 -10.643 1.00 0.00 C ATOM 142 CE1 HIS A 907 13.332 -0.111 -9.868 1.00 0.00 C ATOM 143 NE2 HIS A 907 14.220 0.538 -10.597 1.00 0.00 N ATOM 0 H HIS A 907 17.009 -4.596 -7.627 1.00 0.00 H new ATOM 0 HA HIS A 907 16.749 -1.730 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 907 17.029 -2.319 -10.142 1.00 0.00 H new ATOM 0 HB3 HIS A 907 15.641 -3.382 -10.017 1.00 0.00 H new ATOM 0 HD2 HIS A 907 16.289 0.078 -11.162 1.00 0.00 H new ATOM 0 HE1 HIS A 907 12.326 0.220 -9.655 1.00 0.00 H new ATOM 0 HE2 HIS A 907 14.068 1.438 -11.053 1.00 0.00 H new ATOM 152 N PHE A 908 14.784 -2.305 -6.325 1.00 0.00 N ATOM 153 CA PHE A 908 13.583 -2.561 -5.540 1.00 0.00 C ATOM 154 C PHE A 908 12.379 -1.823 -6.108 1.00 0.00 C ATOM 155 O PHE A 908 12.472 -0.656 -6.490 1.00 0.00 O ATOM 156 CB PHE A 908 13.794 -2.164 -4.079 1.00 0.00 C ATOM 157 CG PHE A 908 14.801 -3.015 -3.365 1.00 0.00 C ATOM 158 CD1 PHE A 908 16.148 -2.937 -3.680 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.397 -3.899 -2.379 1.00 0.00 C ATOM 160 CE1 PHE A 908 17.074 -3.724 -3.023 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.317 -4.690 -1.718 1.00 0.00 C ATOM 162 CZ PHE A 908 16.659 -4.602 -2.041 1.00 0.00 C ATOM 0 H PHE A 908 15.357 -1.534 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 908 13.384 -3.631 -5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 908 14.115 -1.123 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.841 -2.225 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 908 16.478 -2.253 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 908 13.350 -3.971 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 908 18.121 -3.653 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 908 14.989 -5.376 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.381 -5.219 -1.526 1.00 0.00 H new ATOM 172 N LEU A 909 11.249 -2.516 -6.158 1.00 0.00 N ATOM 173 CA LEU A 909 10.016 -1.939 -6.675 1.00 0.00 C ATOM 174 C LEU A 909 9.341 -1.068 -5.630 1.00 0.00 C ATOM 175 O LEU A 909 9.023 0.090 -5.885 1.00 0.00 O ATOM 176 CB LEU A 909 9.068 -3.052 -7.106 1.00 0.00 C ATOM 177 CG LEU A 909 9.675 -4.059 -8.076 1.00 0.00 C ATOM 178 CD1 LEU A 909 8.674 -5.154 -8.388 1.00 0.00 C ATOM 179 CD2 LEU A 909 10.132 -3.360 -9.345 1.00 0.00 C ATOM 0 H LEU A 909 11.161 -3.483 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 909 10.264 -1.315 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.724 -3.583 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.189 -2.604 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 909 10.547 -4.518 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.119 -5.867 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.398 -5.668 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 909 7.784 -4.716 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.563 -4.092 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 909 9.279 -2.877 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 909 10.882 -2.609 -9.097 1.00 0.00 H new ATOM 191 N PHE A 910 9.125 -1.636 -4.449 1.00 0.00 N ATOM 192 CA PHE A 910 8.487 -0.914 -3.358 1.00 0.00 C ATOM 193 C PHE A 910 9.514 -0.121 -2.559 1.00 0.00 C ATOM 194 O PHE A 910 9.345 0.101 -1.359 1.00 0.00 O ATOM 195 CB PHE A 910 7.741 -1.896 -2.446 1.00 0.00 C ATOM 196 CG PHE A 910 8.547 -3.109 -2.061 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.791 -2.981 -1.462 1.00 0.00 C ATOM 198 CD2 PHE A 910 8.053 -4.382 -2.301 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.525 -4.097 -1.111 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.784 -5.501 -1.952 1.00 0.00 C ATOM 201 CZ PHE A 910 10.021 -5.359 -1.357 1.00 0.00 C ATOM 0 H PHE A 910 9.384 -2.597 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 910 7.771 -0.209 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.435 -1.373 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.830 -2.222 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.191 -1.997 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 910 7.086 -4.500 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.492 -3.983 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 910 8.387 -6.487 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 910 10.594 -6.233 -1.084 1.00 0.00 H new ATOM 211 N ALA A 911 10.579 0.301 -3.231 1.00 0.00 N ATOM 212 CA ALA A 911 11.633 1.068 -2.578 1.00 0.00 C ATOM 213 C ALA A 911 12.403 1.918 -3.579 1.00 0.00 C ATOM 214 O ALA A 911 12.696 1.475 -4.690 1.00 0.00 O ATOM 215 CB ALA A 911 12.580 0.135 -1.842 1.00 0.00 C ATOM 0 H ALA A 911 10.735 0.126 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 911 11.164 1.740 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 911 13.363 0.719 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 911 12.026 -0.425 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 911 13.031 -0.559 -2.551 1.00 0.00 H new ATOM 221 N LYS A 912 12.737 3.140 -3.177 1.00 0.00 N ATOM 222 CA LYS A 912 13.483 4.047 -4.039 1.00 0.00 C ATOM 223 C LYS A 912 14.583 4.755 -3.259 1.00 0.00 C ATOM 224 O LYS A 912 14.345 5.300 -2.181 1.00 0.00 O ATOM 225 CB LYS A 912 12.551 5.082 -4.671 1.00 0.00 C ATOM 226 CG LYS A 912 11.848 5.971 -3.657 1.00 0.00 C ATOM 227 CD LYS A 912 10.978 7.014 -4.337 1.00 0.00 C ATOM 228 CE LYS A 912 10.347 7.957 -3.325 1.00 0.00 C ATOM 229 NZ LYS A 912 11.375 8.696 -2.538 1.00 0.00 N ATOM 0 H LYS A 912 12.503 3.524 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 912 13.940 3.453 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.127 5.708 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 912 11.801 4.565 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.234 5.357 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 912 12.590 6.467 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 912 11.579 7.586 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.196 6.518 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 912 9.705 8.669 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 912 9.710 7.389 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 10.935 9.518 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 11.777 8.067 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 12.132 9.020 -3.173 1.00 0.00 H new ATOM 243 N LEU A 913 15.788 4.739 -3.817 1.00 0.00 N ATOM 244 CA LEU A 913 16.939 5.380 -3.191 1.00 0.00 C ATOM 245 C LEU A 913 16.608 6.801 -2.744 1.00 0.00 C ATOM 246 O LEU A 913 15.692 7.433 -3.272 1.00 0.00 O ATOM 247 CB LEU A 913 18.122 5.400 -4.158 1.00 0.00 C ATOM 248 CG LEU A 913 19.386 6.069 -3.619 1.00 0.00 C ATOM 249 CD1 LEU A 913 19.911 5.325 -2.399 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.447 6.137 -4.701 1.00 0.00 C ATOM 0 H LEU A 913 15.994 4.286 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 913 17.205 4.800 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.362 4.374 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.818 5.914 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 913 19.136 7.085 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.811 5.818 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.151 5.327 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 913 20.147 4.297 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.342 6.616 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 913 20.692 5.128 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 913 20.070 6.716 -5.544 1.00 0.00 H new ATOM 262 N LYS A 914 17.364 7.297 -1.772 1.00 0.00 N ATOM 263 CA LYS A 914 17.157 8.643 -1.253 1.00 0.00 C ATOM 264 C LYS A 914 18.489 9.272 -0.860 1.00 0.00 C ATOM 265 O LYS A 914 18.725 10.456 -1.102 1.00 0.00 O ATOM 266 CB LYS A 914 16.221 8.604 -0.046 1.00 0.00 C ATOM 267 CG LYS A 914 15.801 9.977 0.464 1.00 0.00 C ATOM 268 CD LYS A 914 14.752 10.629 -0.425 1.00 0.00 C ATOM 269 CE LYS A 914 15.357 11.205 -1.695 1.00 0.00 C ATOM 270 NZ LYS A 914 16.390 12.235 -1.400 1.00 0.00 N ATOM 0 H LYS A 914 18.127 6.786 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 914 16.701 9.250 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 914 15.328 8.039 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 914 16.712 8.063 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.407 9.881 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 914 16.677 10.624 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 914 13.992 9.893 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 914 14.250 11.422 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 914 15.803 10.402 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 914 14.569 11.646 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 16.449 12.905 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 16.132 12.747 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 17.313 11.774 -1.268 1.00 0.00 H new ATOM 284 N THR A 915 19.361 8.465 -0.264 1.00 0.00 N ATOM 285 CA THR A 915 20.678 8.930 0.152 1.00 0.00 C ATOM 286 C THR A 915 21.526 9.335 -1.048 1.00 0.00 C ATOM 287 O THR A 915 21.489 8.686 -2.095 1.00 0.00 O ATOM 288 CB THR A 915 21.428 7.846 0.956 1.00 0.00 C ATOM 289 OG1 THR A 915 20.893 7.762 2.279 1.00 0.00 O ATOM 290 CG2 THR A 915 22.922 8.138 1.021 1.00 0.00 C ATOM 0 H THR A 915 19.178 7.483 -0.058 1.00 0.00 H new ATOM 0 HA THR A 915 20.519 9.801 0.788 1.00 0.00 H new ATOM 0 HB THR A 915 21.290 6.893 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.257 6.972 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.421 7.356 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 915 23.332 8.165 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.084 9.101 1.504 1.00 0.00 H new ATOM 298 N GLN A 916 22.300 10.404 -0.882 1.00 0.00 N ATOM 299 CA GLN A 916 23.173 10.890 -1.942 1.00 0.00 C ATOM 300 C GLN A 916 24.060 9.762 -2.456 1.00 0.00 C ATOM 301 O GLN A 916 24.647 9.020 -1.668 1.00 0.00 O ATOM 302 CB GLN A 916 24.046 12.031 -1.421 1.00 0.00 C ATOM 303 CG GLN A 916 24.857 11.650 -0.192 1.00 0.00 C ATOM 304 CD GLN A 916 25.845 12.722 0.218 1.00 0.00 C ATOM 305 OE1 GLN A 916 25.469 13.866 0.471 1.00 0.00 O ATOM 306 NE2 GLN A 916 27.118 12.350 0.295 1.00 0.00 N ATOM 0 H GLN A 916 22.339 10.950 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 916 22.553 11.256 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 916 24.725 12.351 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 916 23.412 12.884 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 916 24.178 11.452 0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 916 25.396 10.724 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 916 27.383 11.390 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 916 27.831 13.025 0.574 1.00 0.00 H new ATOM 315 N THR A 917 24.155 9.634 -3.775 1.00 0.00 N ATOM 316 CA THR A 917 24.974 8.588 -4.379 1.00 0.00 C ATOM 317 C THR A 917 25.506 9.024 -5.742 1.00 0.00 C ATOM 318 O THR A 917 26.710 9.199 -5.905 1.00 0.00 O ATOM 319 CB THR A 917 24.178 7.277 -4.556 1.00 0.00 C ATOM 320 OG1 THR A 917 23.082 7.483 -5.455 1.00 0.00 O ATOM 321 CG2 THR A 917 23.648 6.768 -3.224 1.00 0.00 C ATOM 0 H THR A 917 23.678 10.238 -4.444 1.00 0.00 H new ATOM 0 HA THR A 917 25.808 8.413 -3.699 1.00 0.00 H new ATOM 0 HB THR A 917 24.857 6.530 -4.968 1.00 0.00 H new ATOM 0 HG1 THR A 917 22.530 8.226 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 917 23.092 5.844 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 917 24.482 6.578 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 917 22.989 7.517 -2.785 1.00 0.00 H new ATOM 329 N THR A 918 24.590 9.205 -6.699 1.00 0.00 N ATOM 330 CA THR A 918 24.920 9.628 -8.066 1.00 0.00 C ATOM 331 C THR A 918 25.728 8.574 -8.828 1.00 0.00 C ATOM 332 O THR A 918 25.375 8.207 -9.950 1.00 0.00 O ATOM 333 CB THR A 918 25.683 10.971 -8.098 1.00 0.00 C ATOM 334 OG1 THR A 918 27.002 10.817 -7.563 1.00 0.00 O ATOM 335 CG2 THR A 918 24.933 12.035 -7.308 1.00 0.00 C ATOM 0 H THR A 918 23.592 9.061 -6.547 1.00 0.00 H new ATOM 0 HA THR A 918 23.959 9.757 -8.564 1.00 0.00 H new ATOM 0 HB THR A 918 25.757 11.288 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 918 26.945 10.597 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 918 25.487 12.973 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 918 23.944 12.181 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 918 24.830 11.713 -6.272 1.00 0.00 H new ATOM 343 N ALA A 919 26.809 8.091 -8.225 1.00 0.00 N ATOM 344 CA ALA A 919 27.660 7.087 -8.853 1.00 0.00 C ATOM 345 C ALA A 919 26.963 5.734 -8.928 1.00 0.00 C ATOM 346 O ALA A 919 26.110 5.416 -8.098 1.00 0.00 O ATOM 347 CB ALA A 919 28.972 6.963 -8.095 1.00 0.00 C ATOM 0 H ALA A 919 27.118 8.381 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 919 27.866 7.413 -9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 919 29.599 6.210 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 919 29.488 7.923 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 919 28.771 6.667 -7.066 1.00 0.00 H new ATOM 353 N SER A 920 27.335 4.939 -9.927 1.00 0.00 N ATOM 354 CA SER A 920 26.750 3.615 -10.109 1.00 0.00 C ATOM 355 C SER A 920 27.480 2.587 -9.251 1.00 0.00 C ATOM 356 O SER A 920 26.853 1.742 -8.612 1.00 0.00 O ATOM 357 CB SER A 920 26.810 3.205 -11.582 1.00 0.00 C ATOM 358 OG SER A 920 28.148 3.155 -12.044 1.00 0.00 O ATOM 0 H SER A 920 28.038 5.189 -10.622 1.00 0.00 H new ATOM 0 HA SER A 920 25.707 3.654 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 920 26.341 2.229 -11.710 1.00 0.00 H new ATOM 0 HB3 SER A 920 26.241 3.914 -12.183 1.00 0.00 H new ATOM 0 HG SER A 920 28.159 2.889 -12.987 1.00 0.00 H new ATOM 364 N ASP A 921 28.806 2.674 -9.232 1.00 0.00 N ATOM 365 CA ASP A 921 29.621 1.759 -8.440 1.00 0.00 C ATOM 366 C ASP A 921 29.735 2.269 -7.006 1.00 0.00 C ATOM 367 O ASP A 921 30.116 3.417 -6.778 1.00 0.00 O ATOM 368 CB ASP A 921 31.012 1.616 -9.059 1.00 0.00 C ATOM 369 CG ASP A 921 31.863 0.588 -8.343 1.00 0.00 C ATOM 370 OD1 ASP A 921 31.354 -0.047 -7.396 1.00 0.00 O ATOM 371 OD2 ASP A 921 33.036 0.415 -8.732 1.00 0.00 O ATOM 0 H ASP A 921 29.339 3.368 -9.756 1.00 0.00 H new ATOM 0 HA ASP A 921 29.141 0.780 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 921 30.912 1.334 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 921 31.518 2.581 -9.035 1.00 0.00 H new ATOM 376 N PHE A 922 29.392 1.419 -6.041 1.00 0.00 N ATOM 377 CA PHE A 922 29.448 1.809 -4.636 1.00 0.00 C ATOM 378 C PHE A 922 30.613 1.161 -3.896 1.00 0.00 C ATOM 379 O PHE A 922 30.874 -0.035 -4.038 1.00 0.00 O ATOM 380 CB PHE A 922 28.137 1.470 -3.928 1.00 0.00 C ATOM 381 CG PHE A 922 26.962 2.220 -4.473 1.00 0.00 C ATOM 382 CD1 PHE A 922 26.272 1.753 -5.580 1.00 0.00 C ATOM 383 CD2 PHE A 922 26.551 3.398 -3.876 1.00 0.00 C ATOM 384 CE1 PHE A 922 25.190 2.452 -6.080 1.00 0.00 C ATOM 385 CE2 PHE A 922 25.474 4.100 -4.370 1.00 0.00 C ATOM 386 CZ PHE A 922 24.790 3.629 -5.475 1.00 0.00 C ATOM 0 H PHE A 922 29.075 0.463 -6.205 1.00 0.00 H new ATOM 0 HA PHE A 922 29.604 2.888 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.950 0.400 -4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.238 1.689 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 922 26.583 0.835 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.081 3.772 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 922 24.657 2.079 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.164 5.019 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 922 23.946 4.179 -5.864 1.00 0.00 H new ATOM 396 N PRO A 923 31.319 1.958 -3.074 1.00 0.00 N ATOM 397 CA PRO A 923 32.451 1.483 -2.278 1.00 0.00 C ATOM 398 C PRO A 923 31.993 0.711 -1.045 1.00 0.00 C ATOM 399 O PRO A 923 31.012 1.087 -0.401 1.00 0.00 O ATOM 400 CB PRO A 923 33.146 2.778 -1.868 1.00 0.00 C ATOM 401 CG PRO A 923 32.040 3.770 -1.771 1.00 0.00 C ATOM 402 CD PRO A 923 31.051 3.394 -2.843 1.00 0.00 C ATOM 0 HA PRO A 923 33.090 0.793 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.666 2.667 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.890 3.081 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.576 3.742 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.411 4.784 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.024 3.563 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.200 3.981 -3.750 1.00 0.00 H new ATOM 410 N ILE A 924 32.699 -0.367 -0.718 1.00 0.00 N ATOM 411 CA ILE A 924 32.352 -1.180 0.442 1.00 0.00 C ATOM 412 C ILE A 924 32.310 -0.336 1.709 1.00 0.00 C ATOM 413 O ILE A 924 33.028 0.656 1.833 1.00 0.00 O ATOM 414 CB ILE A 924 33.335 -2.344 0.636 1.00 0.00 C ATOM 415 CG1 ILE A 924 33.486 -3.136 -0.666 1.00 0.00 C ATOM 416 CG2 ILE A 924 32.836 -3.244 1.753 1.00 0.00 C ATOM 417 CD1 ILE A 924 34.485 -4.269 -0.577 1.00 0.00 C ATOM 0 H ILE A 924 33.512 -0.697 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 924 31.361 -1.592 0.252 1.00 0.00 H new ATOM 0 HB ILE A 924 34.314 -1.948 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 924 32.515 -3.541 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 924 33.791 -2.456 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 924 33.532 -4.071 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 924 32.764 -2.671 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 924 31.853 -3.637 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 924 34.538 -4.784 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 924 35.467 -3.869 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 924 34.171 -4.971 0.195 1.00 0.00 H new ATOM 429 N GLY A 925 31.443 -0.726 2.640 1.00 0.00 N ATOM 430 CA GLY A 925 31.300 0.016 3.875 1.00 0.00 C ATOM 431 C GLY A 925 30.568 1.318 3.645 1.00 0.00 C ATOM 432 O GLY A 925 31.184 2.381 3.568 1.00 0.00 O ATOM 0 H GLY A 925 30.838 -1.543 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 925 30.758 -0.586 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 925 32.284 0.218 4.298 1.00 0.00 H new ATOM 436 N THR A 926 29.249 1.221 3.511 1.00 0.00 N ATOM 437 CA THR A 926 28.405 2.381 3.255 1.00 0.00 C ATOM 438 C THR A 926 26.932 1.981 3.229 1.00 0.00 C ATOM 439 O THR A 926 26.522 1.130 2.439 1.00 0.00 O ATOM 440 CB THR A 926 28.781 3.036 1.904 1.00 0.00 C ATOM 441 OG1 THR A 926 29.947 3.853 2.056 1.00 0.00 O ATOM 442 CG2 THR A 926 27.641 3.869 1.340 1.00 0.00 C ATOM 0 H THR A 926 28.738 0.341 3.577 1.00 0.00 H new ATOM 0 HA THR A 926 28.566 3.097 4.061 1.00 0.00 H new ATOM 0 HB THR A 926 28.988 2.230 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.366 3.668 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.947 4.310 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.770 3.233 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.387 4.662 2.044 1.00 0.00 H new ATOM 450 N SER A 927 26.143 2.603 4.101 1.00 0.00 N ATOM 451 CA SER A 927 24.715 2.317 4.186 1.00 0.00 C ATOM 452 C SER A 927 23.937 3.110 3.144 1.00 0.00 C ATOM 453 O SER A 927 24.094 4.326 3.033 1.00 0.00 O ATOM 454 CB SER A 927 24.191 2.646 5.586 1.00 0.00 C ATOM 455 OG SER A 927 24.851 1.875 6.574 1.00 0.00 O ATOM 0 H SER A 927 26.470 3.310 4.760 1.00 0.00 H new ATOM 0 HA SER A 927 24.572 1.254 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 927 24.336 3.707 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.118 2.457 5.630 1.00 0.00 H new ATOM 0 HG SER A 927 24.872 0.936 6.296 1.00 0.00 H new ATOM 461 N LEU A 928 23.090 2.419 2.390 1.00 0.00 N ATOM 462 CA LEU A 928 22.282 3.068 1.366 1.00 0.00 C ATOM 463 C LEU A 928 20.827 3.148 1.822 1.00 0.00 C ATOM 464 O LEU A 928 20.190 2.126 2.075 1.00 0.00 O ATOM 465 CB LEU A 928 22.390 2.298 0.047 1.00 0.00 C ATOM 466 CG LEU A 928 22.469 3.170 -1.208 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.660 4.114 -1.124 1.00 0.00 C ATOM 468 CD2 LEU A 928 22.566 2.302 -2.453 1.00 0.00 C ATOM 0 H LEU A 928 22.946 1.412 2.468 1.00 0.00 H new ATOM 0 HA LEU A 928 22.653 4.081 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 928 23.275 1.663 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.528 1.637 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 928 21.559 3.766 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 928 23.702 4.727 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.553 4.758 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 928 24.579 3.534 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 928 22.621 2.938 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.461 1.682 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 928 21.686 1.663 -2.521 1.00 0.00 H new ATOM 480 N LYS A 929 20.315 4.369 1.951 1.00 0.00 N ATOM 481 CA LYS A 929 18.943 4.582 2.405 1.00 0.00 C ATOM 482 C LYS A 929 17.935 4.513 1.259 1.00 0.00 C ATOM 483 O LYS A 929 18.138 5.104 0.196 1.00 0.00 O ATOM 484 CB LYS A 929 18.831 5.934 3.114 1.00 0.00 C ATOM 485 CG LYS A 929 17.440 6.236 3.653 1.00 0.00 C ATOM 486 CD LYS A 929 16.994 5.215 4.690 1.00 0.00 C ATOM 487 CE LYS A 929 17.825 5.295 5.961 1.00 0.00 C ATOM 488 NZ LYS A 929 19.229 4.845 5.750 1.00 0.00 N ATOM 0 H LYS A 929 20.829 5.226 1.748 1.00 0.00 H new ATOM 0 HA LYS A 929 18.703 3.777 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.543 5.960 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.119 6.722 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 929 17.432 7.231 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 929 16.727 6.250 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 929 15.944 5.379 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 929 17.071 4.213 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 929 17.826 6.322 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 929 17.362 4.682 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 19.491 4.164 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 19.312 4.391 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 19.867 5.665 5.793 1.00 0.00 H new ATOM 502 N TYR A 930 16.835 3.804 1.504 1.00 0.00 N ATOM 503 CA TYR A 930 15.764 3.664 0.520 1.00 0.00 C ATOM 504 C TYR A 930 14.408 3.854 1.186 1.00 0.00 C ATOM 505 O TYR A 930 14.115 3.229 2.206 1.00 0.00 O ATOM 506 CB TYR A 930 15.808 2.289 -0.156 1.00 0.00 C ATOM 507 CG TYR A 930 16.919 2.122 -1.170 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.252 2.136 -0.784 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.627 1.937 -2.515 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.264 1.976 -1.712 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.632 1.775 -3.448 1.00 0.00 C ATOM 512 CZ TYR A 930 18.948 1.795 -3.042 1.00 0.00 C ATOM 513 OH TYR A 930 19.952 1.634 -3.969 1.00 0.00 O ATOM 0 H TYR A 930 16.662 3.314 2.382 1.00 0.00 H new ATOM 0 HA TYR A 930 15.910 4.432 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.917 1.524 0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.853 2.111 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.503 2.274 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.596 1.920 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.297 1.993 -1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.387 1.633 -4.490 1.00 0.00 H new ATOM 0 HH TYR A 930 19.560 1.517 -4.859 1.00 0.00 H new ATOM 523 N GLU A 931 13.581 4.719 0.608 1.00 0.00 N ATOM 524 CA GLU A 931 12.256 4.982 1.156 1.00 0.00 C ATOM 525 C GLU A 931 11.201 4.124 0.464 1.00 0.00 C ATOM 526 O GLU A 931 11.049 4.175 -0.757 1.00 0.00 O ATOM 527 CB GLU A 931 11.905 6.463 1.009 1.00 0.00 C ATOM 528 CG GLU A 931 12.896 7.393 1.694 1.00 0.00 C ATOM 529 CD GLU A 931 12.491 8.852 1.599 1.00 0.00 C ATOM 530 OE1 GLU A 931 11.445 9.141 0.980 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.220 9.706 2.146 1.00 0.00 O ATOM 0 H GLU A 931 13.804 5.247 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 931 12.270 4.724 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 931 11.857 6.713 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 931 10.911 6.635 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 931 12.986 7.113 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 931 13.880 7.263 1.244 1.00 0.00 H new ATOM 538 N CYS A 932 10.473 3.341 1.255 1.00 0.00 N ATOM 539 CA CYS A 932 9.429 2.473 0.725 1.00 0.00 C ATOM 540 C CYS A 932 8.378 3.295 -0.017 1.00 0.00 C ATOM 541 O CYS A 932 8.183 4.475 0.279 1.00 0.00 O ATOM 542 CB CYS A 932 8.772 1.677 1.858 1.00 0.00 C ATOM 543 SG CYS A 932 7.896 0.175 1.309 1.00 0.00 S ATOM 0 H CYS A 932 10.588 3.291 2.267 1.00 0.00 H new ATOM 0 HA CYS A 932 9.885 1.774 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 932 9.539 1.393 2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 932 8.067 2.324 2.380 1.00 0.00 H new ATOM 548 N ARG A 933 7.704 2.673 -0.978 1.00 0.00 N ATOM 549 CA ARG A 933 6.675 3.360 -1.751 1.00 0.00 C ATOM 550 C ARG A 933 5.355 3.396 -0.986 1.00 0.00 C ATOM 551 O ARG A 933 5.111 2.560 -0.118 1.00 0.00 O ATOM 552 CB ARG A 933 6.481 2.687 -3.113 1.00 0.00 C ATOM 553 CG ARG A 933 7.547 3.059 -4.130 1.00 0.00 C ATOM 554 CD ARG A 933 7.293 2.401 -5.479 1.00 0.00 C ATOM 555 NE ARG A 933 8.149 2.951 -6.531 1.00 0.00 N ATOM 556 CZ ARG A 933 9.480 2.945 -6.490 1.00 0.00 C ATOM 557 NH1 ARG A 933 10.118 2.417 -5.455 1.00 0.00 N ATOM 558 NH2 ARG A 933 10.174 3.468 -7.491 1.00 0.00 N ATOM 0 H ARG A 933 7.850 1.698 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 933 7.006 4.385 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.480 1.605 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 933 5.502 2.960 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 933 7.571 4.142 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.526 2.758 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 933 7.465 1.328 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.247 2.535 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 933 7.698 3.365 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 933 9.589 2.012 -4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 933 11.138 2.416 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 933 9.688 3.874 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 933 11.194 3.464 -7.461 1.00 0.00 H new ATOM 572 N PRO A 934 4.490 4.383 -1.296 1.00 0.00 N ATOM 573 CA PRO A 934 3.189 4.545 -0.633 1.00 0.00 C ATOM 574 C PRO A 934 2.213 3.424 -0.978 1.00 0.00 C ATOM 575 O PRO A 934 1.191 3.658 -1.623 1.00 0.00 O ATOM 576 CB PRO A 934 2.679 5.885 -1.165 1.00 0.00 C ATOM 577 CG PRO A 934 3.361 6.055 -2.475 1.00 0.00 C ATOM 578 CD PRO A 934 4.716 5.423 -2.317 1.00 0.00 C ATOM 0 HA PRO A 934 3.282 4.512 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 934 1.595 5.879 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 934 2.922 6.700 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 934 2.797 5.575 -3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 934 3.450 7.110 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.072 4.995 -3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 934 5.463 6.148 -1.994 1.00 0.00 H new ATOM 586 N GLU A 935 2.537 2.215 -0.533 1.00 0.00 N ATOM 587 CA GLU A 935 1.709 1.038 -0.779 1.00 0.00 C ATOM 588 C GLU A 935 2.097 -0.084 0.176 1.00 0.00 C ATOM 589 O GLU A 935 1.424 -1.112 0.246 1.00 0.00 O ATOM 590 CB GLU A 935 1.872 0.543 -2.223 1.00 0.00 C ATOM 591 CG GLU A 935 1.276 1.461 -3.276 1.00 0.00 C ATOM 592 CD GLU A 935 1.496 0.951 -4.687 1.00 0.00 C ATOM 593 OE1 GLU A 935 1.030 -0.167 -4.993 1.00 0.00 O ATOM 594 OE2 GLU A 935 2.134 1.668 -5.485 1.00 0.00 O ATOM 0 H GLU A 935 3.380 2.022 0.008 1.00 0.00 H new ATOM 0 HA GLU A 935 0.669 1.321 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.934 0.414 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 935 1.408 -0.439 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 935 0.206 1.569 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.717 2.453 -3.179 1.00 0.00 H new ATOM 601 N TYR A 936 3.195 0.116 0.902 1.00 0.00 N ATOM 602 CA TYR A 936 3.675 -0.887 1.843 1.00 0.00 C ATOM 603 C TYR A 936 4.065 -0.259 3.173 1.00 0.00 C ATOM 604 O TYR A 936 4.644 0.826 3.216 1.00 0.00 O ATOM 605 CB TYR A 936 4.873 -1.636 1.260 1.00 0.00 C ATOM 606 CG TYR A 936 4.597 -2.256 -0.087 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.571 -1.479 -1.236 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.360 -3.615 -0.206 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.315 -2.042 -2.470 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.102 -4.188 -1.434 1.00 0.00 C ATOM 611 CZ TYR A 936 4.081 -3.399 -2.564 1.00 0.00 C ATOM 612 OH TYR A 936 3.824 -3.966 -3.792 1.00 0.00 O ATOM 0 H TYR A 936 3.765 0.960 0.855 1.00 0.00 H new ATOM 0 HA TYR A 936 2.859 -1.588 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.713 -0.947 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.176 -2.418 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.754 -0.417 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.377 -4.237 0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.298 -1.425 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 936 3.917 -5.249 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 936 3.682 -4.930 -3.684 1.00 0.00 H new ATOM 622 N TYR A 937 3.739 -0.954 4.257 1.00 0.00 N ATOM 623 CA TYR A 937 4.055 -0.467 5.597 1.00 0.00 C ATOM 624 C TYR A 937 5.307 -1.140 6.154 1.00 0.00 C ATOM 625 O TYR A 937 5.499 -2.347 6.007 1.00 0.00 O ATOM 626 CB TYR A 937 2.863 -0.668 6.543 1.00 0.00 C ATOM 627 CG TYR A 937 2.340 -2.088 6.615 1.00 0.00 C ATOM 628 CD1 TYR A 937 3.068 -3.095 7.237 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.111 -2.419 6.060 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.587 -4.390 7.303 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.622 -3.710 6.121 1.00 0.00 C ATOM 632 CZ TYR A 937 1.364 -4.691 6.743 1.00 0.00 C ATOM 633 OH TYR A 937 0.880 -5.978 6.805 1.00 0.00 O ATOM 0 H TYR A 937 3.258 -1.853 4.236 1.00 0.00 H new ATOM 0 HA TYR A 937 4.259 0.601 5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.155 -0.352 7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 937 2.052 -0.013 6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 937 4.027 -2.862 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.526 -1.653 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 937 3.166 -5.161 7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.336 -3.949 5.684 1.00 0.00 H new ATOM 0 HH TYR A 937 0.006 -6.020 6.364 1.00 0.00 H new ATOM 643 N GLY A 938 6.161 -0.345 6.793 1.00 0.00 N ATOM 644 CA GLY A 938 7.386 -0.872 7.367 1.00 0.00 C ATOM 645 C GLY A 938 8.516 0.136 7.344 1.00 0.00 C ATOM 646 O GLY A 938 9.685 -0.238 7.420 1.00 0.00 O ATOM 0 H GLY A 938 6.025 0.657 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 938 7.199 -1.180 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.687 -1.764 6.817 1.00 0.00 H new ATOM 650 N ARG A 939 8.148 1.415 7.244 1.00 0.00 N ATOM 651 CA ARG A 939 9.096 2.533 7.210 1.00 0.00 C ATOM 652 C ARG A 939 10.262 2.289 6.239 1.00 0.00 C ATOM 653 O ARG A 939 10.499 1.169 5.792 1.00 0.00 O ATOM 654 CB ARG A 939 9.619 2.848 8.615 1.00 0.00 C ATOM 655 CG ARG A 939 10.469 1.752 9.227 1.00 0.00 C ATOM 656 CD ARG A 939 10.858 2.082 10.658 1.00 0.00 C ATOM 657 NE ARG A 939 9.691 2.201 11.529 1.00 0.00 N ATOM 658 CZ ARG A 939 9.762 2.518 12.818 1.00 0.00 C ATOM 659 NH1 ARG A 939 10.939 2.759 13.382 1.00 0.00 N ATOM 660 NH2 ARG A 939 8.657 2.597 13.546 1.00 0.00 N ATOM 0 H ARG A 939 7.173 1.708 7.184 1.00 0.00 H new ATOM 0 HA ARG A 939 8.548 3.398 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.206 3.766 8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 939 8.770 3.041 9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 939 9.920 0.810 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.368 1.610 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 939 11.519 1.305 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.420 3.016 10.675 1.00 0.00 H new ATOM 0 HE ARG A 939 8.770 2.031 11.125 1.00 0.00 H new ATOM 0 HH11 ARG A 939 11.792 2.701 12.826 1.00 0.00 H new ATOM 0 HH12 ARG A 939 10.990 3.002 14.371 1.00 0.00 H new ATOM 0 HH21 ARG A 939 7.750 2.414 13.117 1.00 0.00 H new ATOM 0 HH22 ARG A 939 8.714 2.840 14.535 1.00 0.00 H new ATOM 674 N PRO A 940 10.999 3.357 5.887 1.00 0.00 N ATOM 675 CA PRO A 940 12.133 3.269 4.961 1.00 0.00 C ATOM 676 C PRO A 940 13.290 2.458 5.535 1.00 0.00 C ATOM 677 O PRO A 940 13.762 2.729 6.640 1.00 0.00 O ATOM 678 CB PRO A 940 12.562 4.731 4.762 1.00 0.00 C ATOM 679 CG PRO A 940 11.432 5.553 5.285 1.00 0.00 C ATOM 680 CD PRO A 940 10.783 4.732 6.355 1.00 0.00 C ATOM 0 HA PRO A 940 11.854 2.764 4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 940 13.485 4.946 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 940 12.749 4.945 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 940 11.792 6.501 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 940 10.723 5.791 4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 940 11.240 4.904 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 940 9.723 4.963 6.455 1.00 0.00 H new ATOM 688 N PHE A 941 13.749 1.466 4.777 1.00 0.00 N ATOM 689 CA PHE A 941 14.858 0.624 5.214 1.00 0.00 C ATOM 690 C PHE A 941 16.184 1.168 4.699 1.00 0.00 C ATOM 691 O PHE A 941 16.280 2.335 4.316 1.00 0.00 O ATOM 692 CB PHE A 941 14.648 -0.818 4.741 1.00 0.00 C ATOM 693 CG PHE A 941 14.603 -0.977 3.246 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.771 -1.082 2.507 1.00 0.00 C ATOM 695 CD2 PHE A 941 13.389 -1.041 2.583 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.728 -1.242 1.136 1.00 0.00 C ATOM 697 CE2 PHE A 941 13.340 -1.203 1.211 1.00 0.00 C ATOM 698 CZ PHE A 941 14.512 -1.304 0.488 1.00 0.00 C ATOM 0 H PHE A 941 13.372 1.226 3.860 1.00 0.00 H new ATOM 0 HA PHE A 941 14.888 0.632 6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.452 -1.439 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.716 -1.195 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.726 -1.038 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.470 -0.963 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 941 16.646 -1.319 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 941 12.387 -1.250 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 941 14.477 -1.431 -0.584 1.00 0.00 H new ATOM 708 N SER A 942 17.202 0.316 4.686 1.00 0.00 N ATOM 709 CA SER A 942 18.523 0.714 4.214 1.00 0.00 C ATOM 710 C SER A 942 19.465 -0.482 4.135 1.00 0.00 C ATOM 711 O SER A 942 19.540 -1.293 5.057 1.00 0.00 O ATOM 712 CB SER A 942 19.118 1.779 5.138 1.00 0.00 C ATOM 713 OG SER A 942 19.253 1.288 6.461 1.00 0.00 O ATOM 0 H SER A 942 17.139 -0.654 4.996 1.00 0.00 H new ATOM 0 HA SER A 942 18.408 1.128 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.092 2.089 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 942 18.480 2.663 5.138 1.00 0.00 H new ATOM 0 HG SER A 942 19.385 0.317 6.438 1.00 0.00 H new ATOM 719 N ILE A 943 20.186 -0.575 3.023 1.00 0.00 N ATOM 720 CA ILE A 943 21.135 -1.661 2.809 1.00 0.00 C ATOM 721 C ILE A 943 22.543 -1.242 3.216 1.00 0.00 C ATOM 722 O ILE A 943 22.723 -0.212 3.866 1.00 0.00 O ATOM 723 CB ILE A 943 21.137 -2.111 1.337 1.00 0.00 C ATOM 724 CG1 ILE A 943 21.149 -0.891 0.410 1.00 0.00 C ATOM 725 CG2 ILE A 943 19.935 -2.995 1.052 1.00 0.00 C ATOM 726 CD1 ILE A 943 21.066 -1.243 -1.059 1.00 0.00 C ATOM 0 H ILE A 943 20.131 0.092 2.253 1.00 0.00 H new ATOM 0 HA ILE A 943 20.820 -2.497 3.433 1.00 0.00 H new ATOM 0 HB ILE A 943 22.039 -2.693 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 943 20.312 -0.242 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 943 22.061 -0.320 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 943 19.951 -3.305 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 943 19.971 -3.876 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 943 19.019 -2.439 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 943 21.080 -0.329 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 943 21.917 -1.866 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 943 20.141 -1.787 -1.251 1.00 0.00 H new ATOM 738 N THR A 944 23.540 -2.044 2.846 1.00 0.00 N ATOM 739 CA THR A 944 24.922 -1.738 3.199 1.00 0.00 C ATOM 740 C THR A 944 25.922 -2.595 2.430 1.00 0.00 C ATOM 741 O THR A 944 25.857 -3.824 2.467 1.00 0.00 O ATOM 742 CB THR A 944 25.158 -1.950 4.712 1.00 0.00 C ATOM 743 OG1 THR A 944 24.736 -0.792 5.443 1.00 0.00 O ATOM 744 CG2 THR A 944 26.621 -2.256 5.016 1.00 0.00 C ATOM 0 H THR A 944 23.418 -2.902 2.308 1.00 0.00 H new ATOM 0 HA THR A 944 25.082 -0.693 2.932 1.00 0.00 H new ATOM 0 HB THR A 944 24.566 -2.811 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.822 -0.555 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 944 26.747 -2.399 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 944 26.919 -3.164 4.492 1.00 0.00 H new ATOM 0 HG23 THR A 944 27.243 -1.424 4.685 1.00 0.00 H new ATOM 752 N CYS A 945 26.884 -1.939 1.781 1.00 0.00 N ATOM 753 CA CYS A 945 27.929 -2.657 1.069 1.00 0.00 C ATOM 754 C CYS A 945 28.807 -3.312 2.123 1.00 0.00 C ATOM 755 O CYS A 945 29.459 -2.626 2.909 1.00 0.00 O ATOM 756 CB CYS A 945 28.739 -1.700 0.196 1.00 0.00 C ATOM 757 SG CYS A 945 29.830 -2.524 -1.004 1.00 0.00 S ATOM 0 H CYS A 945 26.958 -0.923 1.736 1.00 0.00 H new ATOM 0 HA CYS A 945 27.505 -3.408 0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 945 28.051 -1.048 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 945 29.343 -1.062 0.841 1.00 0.00 H new ATOM 762 N LEU A 946 28.749 -4.630 2.204 1.00 0.00 N ATOM 763 CA LEU A 946 29.474 -5.346 3.250 1.00 0.00 C ATOM 764 C LEU A 946 30.945 -5.619 2.970 1.00 0.00 C ATOM 765 O LEU A 946 31.801 -5.228 3.764 1.00 0.00 O ATOM 766 CB LEU A 946 28.722 -6.621 3.591 1.00 0.00 C ATOM 767 CG LEU A 946 27.385 -6.336 4.269 1.00 0.00 C ATOM 768 CD1 LEU A 946 26.603 -7.608 4.515 1.00 0.00 C ATOM 769 CD2 LEU A 946 27.628 -5.585 5.566 1.00 0.00 C ATOM 0 H LEU A 946 28.216 -5.224 1.569 1.00 0.00 H new ATOM 0 HA LEU A 946 29.506 -4.675 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 946 28.551 -7.195 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 946 29.336 -7.239 4.246 1.00 0.00 H new ATOM 0 HG LEU A 946 26.782 -5.718 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 946 25.657 -7.366 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 946 26.408 -8.105 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 946 27.180 -8.271 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 946 26.674 -5.380 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 946 28.249 -6.190 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 946 28.135 -4.644 5.352 1.00 0.00 H new ATOM 781 N ASP A 947 31.243 -6.297 1.876 1.00 0.00 N ATOM 782 CA ASP A 947 32.631 -6.629 1.550 1.00 0.00 C ATOM 783 C ASP A 947 32.702 -7.553 0.343 1.00 0.00 C ATOM 784 O ASP A 947 33.525 -7.354 -0.550 1.00 0.00 O ATOM 785 CB ASP A 947 33.305 -7.296 2.755 1.00 0.00 C ATOM 786 CG ASP A 947 34.735 -7.726 2.478 1.00 0.00 C ATOM 787 OD1 ASP A 947 35.248 -7.427 1.380 1.00 0.00 O ATOM 788 OD2 ASP A 947 35.348 -8.353 3.369 1.00 0.00 O ATOM 0 H ASP A 947 30.555 -6.629 1.200 1.00 0.00 H new ATOM 0 HA ASP A 947 33.155 -5.705 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 947 33.297 -6.604 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 947 32.722 -8.167 3.053 1.00 0.00 H new ATOM 793 N ASN A 948 31.827 -8.548 0.306 1.00 0.00 N ATOM 794 CA ASN A 948 31.797 -9.473 -0.814 1.00 0.00 C ATOM 795 C ASN A 948 30.990 -8.857 -1.945 1.00 0.00 C ATOM 796 O ASN A 948 30.258 -9.546 -2.658 1.00 0.00 O ATOM 797 CB ASN A 948 31.185 -10.812 -0.393 1.00 0.00 C ATOM 798 CG ASN A 948 31.980 -11.493 0.704 1.00 0.00 C ATOM 799 OD1 ASN A 948 33.160 -11.795 0.535 1.00 0.00 O ATOM 800 ND2 ASN A 948 31.333 -11.738 1.838 1.00 0.00 N ATOM 0 H ASN A 948 31.135 -8.733 1.032 1.00 0.00 H new ATOM 0 HA ASN A 948 32.816 -9.661 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 948 30.163 -10.649 -0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 948 31.129 -11.471 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 948 31.816 -12.194 2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 948 30.354 -11.470 1.934 1.00 0.00 H new ATOM 807 N LEU A 949 31.133 -7.542 -2.088 1.00 0.00 N ATOM 808 CA LEU A 949 30.429 -6.792 -3.112 1.00 0.00 C ATOM 809 C LEU A 949 28.940 -7.099 -3.054 1.00 0.00 C ATOM 810 O LEU A 949 28.301 -7.358 -4.074 1.00 0.00 O ATOM 811 CB LEU A 949 31.002 -7.116 -4.490 1.00 0.00 C ATOM 812 CG LEU A 949 32.530 -7.039 -4.578 1.00 0.00 C ATOM 813 CD1 LEU A 949 33.000 -7.299 -6.001 1.00 0.00 C ATOM 814 CD2 LEU A 949 33.026 -5.686 -4.091 1.00 0.00 C ATOM 0 H LEU A 949 31.739 -6.973 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 949 30.565 -5.726 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 949 30.685 -8.119 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 949 30.574 -6.427 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 949 32.948 -7.812 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 949 34.088 -7.240 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 949 32.679 -8.292 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 949 32.571 -6.552 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 949 34.113 -5.650 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 949 32.597 -4.897 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 949 32.724 -5.540 -3.054 1.00 0.00 H new ATOM 826 N VAL A 950 28.402 -7.079 -1.838 1.00 0.00 N ATOM 827 CA VAL A 950 26.995 -7.365 -1.616 1.00 0.00 C ATOM 828 C VAL A 950 26.318 -6.284 -0.788 1.00 0.00 C ATOM 829 O VAL A 950 26.914 -5.252 -0.465 1.00 0.00 O ATOM 830 CB VAL A 950 26.808 -8.711 -0.896 1.00 0.00 C ATOM 831 CG1 VAL A 950 26.792 -9.857 -1.888 1.00 0.00 C ATOM 832 CG2 VAL A 950 27.889 -8.905 0.155 1.00 0.00 C ATOM 0 H VAL A 950 28.926 -6.866 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 950 26.534 -7.402 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 950 25.843 -8.701 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 950 26.659 -10.798 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 950 25.970 -9.719 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 950 27.736 -9.880 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 950 27.742 -9.862 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 950 28.868 -8.892 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 950 27.833 -8.100 0.888 1.00 0.00 H new ATOM 842 N TRP A 951 25.066 -6.550 -0.437 1.00 0.00 N ATOM 843 CA TRP A 951 24.271 -5.629 0.355 1.00 0.00 C ATOM 844 C TRP A 951 23.357 -6.400 1.295 1.00 0.00 C ATOM 845 O TRP A 951 22.657 -7.323 0.878 1.00 0.00 O ATOM 846 CB TRP A 951 23.410 -4.741 -0.552 1.00 0.00 C ATOM 847 CG TRP A 951 24.189 -3.892 -1.514 1.00 0.00 C ATOM 848 CD1 TRP A 951 24.711 -4.271 -2.720 1.00 0.00 C ATOM 849 CD2 TRP A 951 24.531 -2.514 -1.345 1.00 0.00 C ATOM 850 NE1 TRP A 951 25.349 -3.206 -3.315 1.00 0.00 N ATOM 851 CE2 TRP A 951 25.254 -2.117 -2.487 1.00 0.00 C ATOM 852 CE3 TRP A 951 24.293 -1.578 -0.339 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.740 -0.821 -2.645 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.772 -0.294 -0.496 1.00 0.00 C ATOM 855 CH2 TRP A 951 25.489 0.076 -1.642 1.00 0.00 C ATOM 0 H TRP A 951 24.577 -7.408 -0.694 1.00 0.00 H new ATOM 0 HA TRP A 951 24.954 -5.004 0.931 1.00 0.00 H new ATOM 0 HB2 TRP A 951 22.727 -5.375 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 951 22.798 -4.091 0.073 1.00 0.00 H new ATOM 0 HD1 TRP A 951 24.634 -5.261 -3.144 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.815 -3.224 -4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 951 23.743 -1.854 0.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 26.294 -0.535 -3.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 24.592 0.438 0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.851 1.089 -1.736 1.00 0.00 H new ATOM 866 N SER A 952 23.372 -6.010 2.566 1.00 0.00 N ATOM 867 CA SER A 952 22.545 -6.654 3.581 1.00 0.00 C ATOM 868 C SER A 952 21.133 -6.884 3.053 1.00 0.00 C ATOM 869 O SER A 952 20.622 -6.094 2.259 1.00 0.00 O ATOM 870 CB SER A 952 22.497 -5.798 4.848 1.00 0.00 C ATOM 871 OG SER A 952 21.710 -6.414 5.852 1.00 0.00 O ATOM 0 H SER A 952 23.951 -5.248 2.919 1.00 0.00 H new ATOM 0 HA SER A 952 22.989 -7.620 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 952 23.509 -5.639 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 952 22.087 -4.816 4.612 1.00 0.00 H new ATOM 0 HG SER A 952 21.697 -5.847 6.651 1.00 0.00 H new ATOM 877 N SER A 953 20.512 -7.976 3.483 1.00 0.00 N ATOM 878 CA SER A 953 19.167 -8.309 3.031 1.00 0.00 C ATOM 879 C SER A 953 18.114 -7.498 3.780 1.00 0.00 C ATOM 880 O SER A 953 17.957 -7.634 4.994 1.00 0.00 O ATOM 881 CB SER A 953 18.903 -9.802 3.221 1.00 0.00 C ATOM 882 OG SER A 953 17.600 -10.150 2.786 1.00 0.00 O ATOM 0 H SER A 953 20.916 -8.643 4.141 1.00 0.00 H new ATOM 0 HA SER A 953 19.099 -8.061 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 953 19.642 -10.379 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 953 19.021 -10.064 4.272 1.00 0.00 H new ATOM 0 HG SER A 953 17.457 -11.111 2.917 1.00 0.00 H new ATOM 888 N PRO A 954 17.375 -6.637 3.056 1.00 0.00 N ATOM 889 CA PRO A 954 16.326 -5.791 3.630 1.00 0.00 C ATOM 890 C PRO A 954 15.052 -6.578 3.925 1.00 0.00 C ATOM 891 O PRO A 954 13.989 -6.290 3.372 1.00 0.00 O ATOM 892 CB PRO A 954 16.068 -4.736 2.540 1.00 0.00 C ATOM 893 CG PRO A 954 17.111 -4.968 1.495 1.00 0.00 C ATOM 894 CD PRO A 954 17.501 -6.408 1.614 1.00 0.00 C ATOM 0 HA PRO A 954 16.628 -5.362 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 954 15.066 -4.841 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 954 16.140 -3.727 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 954 16.722 -4.750 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 954 17.971 -4.317 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 954 16.843 -7.058 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 954 18.516 -6.587 1.259 1.00 0.00 H new ATOM 902 N LYS A 955 15.166 -7.572 4.797 1.00 0.00 N ATOM 903 CA LYS A 955 14.026 -8.406 5.164 1.00 0.00 C ATOM 904 C LYS A 955 13.094 -7.684 6.125 1.00 0.00 C ATOM 905 O LYS A 955 13.542 -6.995 7.042 1.00 0.00 O ATOM 906 CB LYS A 955 14.499 -9.714 5.799 1.00 0.00 C ATOM 907 CG LYS A 955 14.724 -10.827 4.796 1.00 0.00 C ATOM 908 CD LYS A 955 15.278 -12.075 5.461 1.00 0.00 C ATOM 909 CE LYS A 955 15.505 -13.191 4.452 1.00 0.00 C ATOM 910 NZ LYS A 955 14.244 -13.579 3.762 1.00 0.00 N ATOM 0 H LYS A 955 16.038 -7.821 5.265 1.00 0.00 H new ATOM 0 HA LYS A 955 13.476 -8.625 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 955 15.427 -9.531 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 955 13.761 -10.040 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 955 13.784 -11.066 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 955 15.415 -10.488 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 955 16.218 -11.836 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 955 14.586 -12.415 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 955 16.239 -12.869 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 955 15.924 -14.060 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 14.383 -14.483 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 13.482 -13.682 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 13.985 -12.844 3.074 1.00 0.00 H new ATOM 924 N ASP A 956 11.792 -7.851 5.905 1.00 0.00 N ATOM 925 CA ASP A 956 10.789 -7.219 6.751 1.00 0.00 C ATOM 926 C ASP A 956 10.976 -5.707 6.742 1.00 0.00 C ATOM 927 O ASP A 956 11.607 -5.144 7.637 1.00 0.00 O ATOM 928 CB ASP A 956 10.893 -7.768 8.174 1.00 0.00 C ATOM 929 CG ASP A 956 9.736 -7.333 9.053 1.00 0.00 C ATOM 930 OD1 ASP A 956 9.562 -6.110 9.244 1.00 0.00 O ATOM 931 OD2 ASP A 956 9.004 -8.214 9.550 1.00 0.00 O ATOM 0 H ASP A 956 11.410 -8.418 5.148 1.00 0.00 H new ATOM 0 HA ASP A 956 9.796 -7.444 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 956 10.928 -8.857 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 956 11.829 -7.434 8.621 1.00 0.00 H new ATOM 936 N VAL A 957 10.446 -5.059 5.707 1.00 0.00 N ATOM 937 CA VAL A 957 10.577 -3.614 5.558 1.00 0.00 C ATOM 938 C VAL A 957 9.381 -3.013 4.828 1.00 0.00 C ATOM 939 O VAL A 957 9.078 -1.830 4.984 1.00 0.00 O ATOM 940 CB VAL A 957 11.857 -3.260 4.779 1.00 0.00 C ATOM 941 CG1 VAL A 957 13.094 -3.660 5.568 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.845 -3.934 3.415 1.00 0.00 C ATOM 0 H VAL A 957 9.922 -5.513 4.959 1.00 0.00 H new ATOM 0 HA VAL A 957 10.626 -3.196 6.564 1.00 0.00 H new ATOM 0 HB VAL A 957 11.887 -2.181 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.987 -3.401 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 957 13.104 -3.131 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 957 13.078 -4.735 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.755 -3.676 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.793 -5.015 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.978 -3.594 2.849 1.00 0.00 H new ATOM 952 N CYS A 958 8.712 -3.833 4.033 1.00 0.00 N ATOM 953 CA CYS A 958 7.549 -3.387 3.273 1.00 0.00 C ATOM 954 C CYS A 958 6.577 -4.541 3.053 1.00 0.00 C ATOM 955 O CYS A 958 6.979 -5.640 2.671 1.00 0.00 O ATOM 956 CB CYS A 958 7.977 -2.807 1.921 1.00 0.00 C ATOM 957 SG CYS A 958 9.048 -1.336 2.030 1.00 0.00 S ATOM 0 H CYS A 958 8.953 -4.814 3.895 1.00 0.00 H new ATOM 0 HA CYS A 958 7.049 -2.608 3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.500 -3.580 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.084 -2.548 1.352 1.00 0.00 H new ATOM 962 N LYS A 959 5.298 -4.280 3.301 1.00 0.00 N ATOM 963 CA LYS A 959 4.258 -5.290 3.141 1.00 0.00 C ATOM 964 C LYS A 959 3.002 -4.666 2.541 1.00 0.00 C ATOM 965 O LYS A 959 2.739 -3.481 2.735 1.00 0.00 O ATOM 966 CB LYS A 959 3.935 -5.932 4.493 1.00 0.00 C ATOM 967 CG LYS A 959 5.148 -6.546 5.179 1.00 0.00 C ATOM 968 CD LYS A 959 5.725 -7.701 4.376 1.00 0.00 C ATOM 969 CE LYS A 959 6.983 -8.253 5.026 1.00 0.00 C ATOM 970 NZ LYS A 959 8.023 -7.202 5.197 1.00 0.00 N ATOM 0 H LYS A 959 4.955 -3.372 3.615 1.00 0.00 H new ATOM 0 HA LYS A 959 4.622 -6.062 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.499 -5.179 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 959 3.180 -6.704 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 959 5.913 -5.782 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 959 4.865 -6.898 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 959 4.981 -8.493 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 959 5.953 -7.365 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.733 -8.679 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 959 7.382 -9.063 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 8.957 -7.596 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 7.816 -6.403 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 8.024 -6.872 6.183 1.00 0.00 H new ATOM 984 N ARG A 960 2.238 -5.465 1.798 1.00 0.00 N ATOM 985 CA ARG A 960 1.021 -4.978 1.149 1.00 0.00 C ATOM 986 C ARG A 960 0.091 -4.302 2.151 1.00 0.00 C ATOM 987 O ARG A 960 -0.734 -4.955 2.790 1.00 0.00 O ATOM 988 CB ARG A 960 0.286 -6.133 0.460 1.00 0.00 C ATOM 989 CG ARG A 960 -0.927 -5.694 -0.348 1.00 0.00 C ATOM 990 CD ARG A 960 -0.540 -4.724 -1.453 1.00 0.00 C ATOM 991 NE ARG A 960 -1.657 -4.421 -2.344 1.00 0.00 N ATOM 992 CZ ARG A 960 -2.209 -5.312 -3.164 1.00 0.00 C ATOM 993 NH1 ARG A 960 -1.750 -6.556 -3.206 1.00 0.00 N ATOM 994 NH2 ARG A 960 -3.222 -4.959 -3.944 1.00 0.00 N ATOM 0 H ARG A 960 2.439 -6.451 1.630 1.00 0.00 H new ATOM 0 HA ARG A 960 1.316 -4.241 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 960 0.982 -6.652 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 960 -0.033 -6.851 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -1.411 -6.568 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -1.654 -5.223 0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.172 -3.799 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 960 0.280 -5.147 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 960 -2.035 -3.474 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.971 -6.833 -2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -2.176 -7.236 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 960 -3.579 -4.004 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 960 -3.644 -5.643 -4.572 1.00 0.00 H new ATOM 1008 N LYS A 961 0.228 -2.984 2.272 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.602 -2.204 3.182 1.00 0.00 C ATOM 1010 C LYS A 961 -2.078 -2.416 2.872 1.00 0.00 C ATOM 1011 O LYS A 961 -2.447 -2.665 1.725 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.249 -0.718 3.088 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.050 0.162 4.036 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.610 1.617 3.961 1.00 0.00 C ATOM 1015 CE LYS A 961 0.837 1.788 4.402 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.269 3.212 4.355 1.00 0.00 N ATOM 0 H LYS A 961 0.909 -2.433 1.749 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.408 -2.544 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.813 -0.592 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.413 -0.379 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -2.110 0.089 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -0.932 -0.202 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -0.725 1.980 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -1.258 2.227 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 961 0.954 1.407 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 961 1.485 1.191 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 1.915 3.405 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 1.758 3.397 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 0.436 3.830 4.430 1.00 0.00 H new ATOM 1030 N SER A 962 -2.920 -2.322 3.896 1.00 0.00 N ATOM 1031 CA SER A 962 -4.353 -2.513 3.716 1.00 0.00 C ATOM 1032 C SER A 962 -5.157 -1.538 4.565 1.00 0.00 C ATOM 1033 O SER A 962 -4.814 -1.258 5.714 1.00 0.00 O ATOM 1034 CB SER A 962 -4.753 -3.948 4.064 1.00 0.00 C ATOM 1035 OG SER A 962 -4.356 -4.284 5.382 1.00 0.00 O ATOM 0 H SER A 962 -2.636 -2.116 4.854 1.00 0.00 H new ATOM 0 HA SER A 962 -4.577 -2.321 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.833 -4.061 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 962 -4.295 -4.638 3.356 1.00 0.00 H new ATOM 0 HG SER A 962 -4.625 -5.205 5.580 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.233 -1.036 3.979 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.120 -0.096 4.646 1.00 0.00 C ATOM 1043 C CYS A 963 -8.069 -0.830 5.587 1.00 0.00 C ATOM 1044 O CYS A 963 -8.355 -2.012 5.391 1.00 0.00 O ATOM 1045 CB CYS A 963 -7.908 0.688 3.599 1.00 0.00 C ATOM 1046 SG CYS A 963 -8.577 -0.358 2.268 1.00 0.00 S ATOM 0 H CYS A 963 -6.516 -1.269 3.027 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.524 0.597 5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.730 1.210 4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -7.261 1.449 3.163 1.00 0.00 H new ATOM 1051 N LYS A 964 -8.551 -0.131 6.608 1.00 0.00 N ATOM 1052 CA LYS A 964 -9.462 -0.732 7.575 1.00 0.00 C ATOM 1053 C LYS A 964 -10.776 -1.109 6.901 1.00 0.00 C ATOM 1054 O LYS A 964 -11.336 -0.328 6.132 1.00 0.00 O ATOM 1055 CB LYS A 964 -9.725 0.236 8.732 1.00 0.00 C ATOM 1056 CG LYS A 964 -10.615 -0.340 9.821 1.00 0.00 C ATOM 1057 CD LYS A 964 -10.839 0.659 10.946 1.00 0.00 C ATOM 1058 CE LYS A 964 -11.743 0.090 12.027 1.00 0.00 C ATOM 1059 NZ LYS A 964 -11.964 1.062 13.135 1.00 0.00 N ATOM 0 H LYS A 964 -8.328 0.848 6.787 1.00 0.00 H new ATOM 0 HA LYS A 964 -8.998 -1.635 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -8.772 0.530 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -10.187 1.141 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -11.575 -0.628 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -10.160 -1.246 10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -9.880 0.938 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -11.282 1.569 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -12.702 -0.186 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -11.301 -0.822 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -12.586 0.636 13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -11.051 1.307 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -12.410 1.923 12.758 1.00 0.00 H new ATOM 1073 N THR A 965 -11.254 -2.318 7.184 1.00 0.00 N ATOM 1074 CA THR A 965 -12.495 -2.804 6.594 1.00 0.00 C ATOM 1075 C THR A 965 -13.642 -1.829 6.844 1.00 0.00 C ATOM 1076 O THR A 965 -13.908 -1.448 7.984 1.00 0.00 O ATOM 1077 CB THR A 965 -12.880 -4.186 7.151 1.00 0.00 C ATOM 1078 OG1 THR A 965 -11.784 -5.097 7.003 1.00 0.00 O ATOM 1079 CG2 THR A 965 -14.100 -4.741 6.429 1.00 0.00 C ATOM 0 H THR A 965 -10.801 -2.977 7.817 1.00 0.00 H new ATOM 0 HA THR A 965 -12.322 -2.890 5.521 1.00 0.00 H new ATOM 0 HB THR A 965 -13.120 -4.071 8.208 1.00 0.00 H new ATOM 0 HG1 THR A 965 -12.036 -5.973 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 965 -14.353 -5.718 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 965 -14.942 -4.062 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 965 -13.880 -4.841 5.366 1.00 0.00 H new ATOM 1087 N PRO A 966 -14.339 -1.411 5.774 1.00 0.00 N ATOM 1088 CA PRO A 966 -15.462 -0.477 5.875 1.00 0.00 C ATOM 1089 C PRO A 966 -16.728 -1.149 6.397 1.00 0.00 C ATOM 1090 O PRO A 966 -17.093 -2.234 5.942 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.664 -0.024 4.430 1.00 0.00 C ATOM 1092 CG PRO A 966 -15.224 -1.191 3.618 1.00 0.00 C ATOM 1093 CD PRO A 966 -14.087 -1.819 4.377 1.00 0.00 C ATOM 0 HA PRO A 966 -15.259 0.335 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.706 0.228 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.073 0.864 4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -16.040 -1.900 3.480 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.904 -0.877 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -14.083 -2.904 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -13.121 -1.460 4.022 1.00 0.00 H new ATOM 1101 N PRO A 967 -17.423 -0.513 7.355 1.00 0.00 N ATOM 1102 CA PRO A 967 -18.657 -1.063 7.920 1.00 0.00 C ATOM 1103 C PRO A 967 -19.712 -1.289 6.844 1.00 0.00 C ATOM 1104 O PRO A 967 -20.011 -0.388 6.060 1.00 0.00 O ATOM 1105 CB PRO A 967 -19.118 0.014 8.908 1.00 0.00 C ATOM 1106 CG PRO A 967 -17.895 0.812 9.208 1.00 0.00 C ATOM 1107 CD PRO A 967 -17.071 0.786 7.954 1.00 0.00 C ATOM 0 HA PRO A 967 -18.500 -2.035 8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -19.900 0.638 8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -19.530 -0.432 9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -18.153 1.834 9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -17.345 0.384 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -17.317 1.616 7.292 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -16.005 0.856 8.170 1.00 0.00 H new ATOM 1115 N ASP A 968 -20.268 -2.494 6.806 1.00 0.00 N ATOM 1116 CA ASP A 968 -21.284 -2.832 5.817 1.00 0.00 C ATOM 1117 C ASP A 968 -22.487 -1.900 5.933 1.00 0.00 C ATOM 1118 O ASP A 968 -23.033 -1.713 7.021 1.00 0.00 O ATOM 1119 CB ASP A 968 -21.731 -4.285 5.988 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.593 -5.267 5.793 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -19.602 -5.186 6.549 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -20.691 -6.118 4.883 1.00 0.00 O ATOM 0 H ASP A 968 -20.033 -3.252 7.447 1.00 0.00 H new ATOM 0 HA ASP A 968 -20.846 -2.709 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -22.155 -4.417 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -22.524 -4.505 5.273 1.00 0.00 H new ATOM 1127 N PRO A 969 -22.924 -1.307 4.808 1.00 0.00 N ATOM 1128 CA PRO A 969 -24.072 -0.398 4.793 1.00 0.00 C ATOM 1129 C PRO A 969 -25.356 -1.101 5.202 1.00 0.00 C ATOM 1130 O PRO A 969 -25.573 -2.265 4.863 1.00 0.00 O ATOM 1131 CB PRO A 969 -24.153 0.074 3.338 1.00 0.00 C ATOM 1132 CG PRO A 969 -23.415 -0.957 2.556 1.00 0.00 C ATOM 1133 CD PRO A 969 -22.339 -1.477 3.466 1.00 0.00 C ATOM 0 HA PRO A 969 -23.952 0.421 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -25.188 0.155 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.702 1.059 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -24.082 -1.760 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.986 -0.527 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -22.105 -2.521 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -21.412 -0.914 3.356 1.00 0.00 H new ATOM 1141 N VAL A 970 -26.197 -0.386 5.936 1.00 0.00 N ATOM 1142 CA VAL A 970 -27.456 -0.925 6.406 1.00 0.00 C ATOM 1143 C VAL A 970 -28.212 -1.625 5.281 1.00 0.00 C ATOM 1144 O VAL A 970 -28.469 -1.030 4.238 1.00 0.00 O ATOM 1145 CB VAL A 970 -28.329 0.201 6.978 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -29.591 -0.367 7.584 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -27.552 1.013 8.003 1.00 0.00 C ATOM 0 H VAL A 970 -26.023 0.578 6.219 1.00 0.00 H new ATOM 0 HA VAL A 970 -27.236 -1.655 7.185 1.00 0.00 H new ATOM 0 HB VAL A 970 -28.612 0.868 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -30.199 0.444 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -30.155 -0.899 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -29.331 -1.057 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -28.188 1.806 8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -27.236 0.363 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -26.675 1.453 7.529 1.00 0.00 H new ATOM 1157 N ASN A 971 -28.564 -2.891 5.512 1.00 0.00 N ATOM 1158 CA ASN A 971 -29.297 -3.695 4.533 1.00 0.00 C ATOM 1159 C ASN A 971 -28.389 -4.180 3.401 1.00 0.00 C ATOM 1160 O ASN A 971 -28.434 -5.349 3.018 1.00 0.00 O ATOM 1161 CB ASN A 971 -30.475 -2.905 3.952 1.00 0.00 C ATOM 1162 CG ASN A 971 -31.437 -2.427 5.021 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -31.618 -1.114 5.109 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -32.010 -3.227 5.760 1.00 0.00 N flip ATOM 0 H ASN A 971 -28.350 -3.386 6.378 1.00 0.00 H new ATOM 0 HA ASN A 971 -29.678 -4.570 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -30.095 -2.046 3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -31.011 -3.531 3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -31.841 -4.228 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -32.654 -2.889 6.475 1.00 0.00 H new ATOM 1171 N GLY A 972 -27.576 -3.276 2.856 1.00 0.00 N ATOM 1172 CA GLY A 972 -26.686 -3.639 1.763 1.00 0.00 C ATOM 1173 C GLY A 972 -25.533 -4.528 2.193 1.00 0.00 C ATOM 1174 O GLY A 972 -25.650 -5.290 3.154 1.00 0.00 O ATOM 0 H GLY A 972 -27.517 -2.301 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -27.261 -4.151 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -26.286 -2.730 1.313 1.00 0.00 H new ATOM 1178 N MET A 973 -24.416 -4.426 1.469 1.00 0.00 N ATOM 1179 CA MET A 973 -23.223 -5.220 1.759 1.00 0.00 C ATOM 1180 C MET A 973 -22.112 -4.917 0.752 1.00 0.00 C ATOM 1181 O MET A 973 -22.371 -4.745 -0.441 1.00 0.00 O ATOM 1182 CB MET A 973 -23.555 -6.715 1.735 1.00 0.00 C ATOM 1183 CG MET A 973 -24.133 -7.190 0.412 1.00 0.00 C ATOM 1184 SD MET A 973 -24.548 -8.944 0.426 1.00 0.00 S ATOM 1185 CE MET A 973 -25.199 -9.152 -1.229 1.00 0.00 C ATOM 0 H MET A 973 -24.314 -3.797 0.673 1.00 0.00 H new ATOM 0 HA MET A 973 -22.873 -4.952 2.756 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.650 -7.283 1.951 1.00 0.00 H new ATOM 0 HB3 MET A 973 -24.266 -6.933 2.532 1.00 0.00 H new ATOM 0 HG2 MET A 973 -25.027 -6.611 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 973 -23.414 -6.997 -0.384 1.00 0.00 H new ATOM 0 HE1 MET A 973 -25.086 -10.192 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 973 -26.255 -8.883 -1.241 1.00 0.00 H new ATOM 0 HE3 MET A 973 -24.653 -8.508 -1.918 1.00 0.00 H new ATOM 1195 N VAL A 974 -20.874 -4.848 1.244 1.00 0.00 N ATOM 1196 CA VAL A 974 -19.724 -4.562 0.390 1.00 0.00 C ATOM 1197 C VAL A 974 -19.014 -5.839 -0.045 1.00 0.00 C ATOM 1198 O VAL A 974 -18.883 -6.784 0.734 1.00 0.00 O ATOM 1199 CB VAL A 974 -18.692 -3.659 1.096 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -18.042 -4.385 2.261 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -17.625 -3.210 0.114 1.00 0.00 C ATOM 0 H VAL A 974 -20.644 -4.986 2.228 1.00 0.00 H new ATOM 0 HA VAL A 974 -20.125 -4.046 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 974 -19.218 -2.785 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -17.318 -3.727 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -18.807 -4.673 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -17.534 -5.277 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.904 -2.573 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -17.114 -4.083 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -18.090 -2.651 -0.698 1.00 0.00 H new ATOM 1211 N HIS A 975 -18.529 -5.851 -1.282 1.00 0.00 N ATOM 1212 CA HIS A 975 -17.800 -7.000 -1.795 1.00 0.00 C ATOM 1213 C HIS A 975 -16.308 -6.709 -1.789 1.00 0.00 C ATOM 1214 O HIS A 975 -15.835 -5.840 -2.525 1.00 0.00 O ATOM 1215 CB HIS A 975 -18.233 -7.351 -3.220 1.00 0.00 C ATOM 1216 CG HIS A 975 -19.706 -7.522 -3.392 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -20.489 -8.270 -2.539 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -20.537 -7.052 -4.350 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -21.740 -8.252 -2.963 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -21.796 -7.518 -4.060 1.00 0.00 N ATOM 0 H HIS A 975 -18.628 -5.081 -1.943 1.00 0.00 H new ATOM 0 HA HIS A 975 -18.022 -7.848 -1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.889 -6.567 -3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.735 -8.272 -3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -20.262 -6.427 -5.187 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -22.574 -8.752 -2.493 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -22.638 -7.328 -4.604 1.00 0.00 H new ATOM 1229 N VAL A 976 -15.568 -7.445 -0.970 1.00 0.00 N ATOM 1230 CA VAL A 976 -14.126 -7.269 -0.888 1.00 0.00 C ATOM 1231 C VAL A 976 -13.483 -7.620 -2.218 1.00 0.00 C ATOM 1232 O VAL A 976 -12.558 -6.947 -2.678 1.00 0.00 O ATOM 1233 CB VAL A 976 -13.528 -8.129 0.237 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -12.010 -8.052 0.232 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -14.091 -7.684 1.578 1.00 0.00 C ATOM 0 H VAL A 976 -15.942 -8.167 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.921 -6.223 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 976 -13.804 -9.170 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -11.612 -8.669 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -11.630 -8.413 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -11.698 -7.018 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -13.665 -8.296 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -13.838 -6.638 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -15.175 -7.799 1.574 1.00 0.00 H new ATOM 1245 N ILE A 977 -14.012 -8.666 -2.836 1.00 0.00 N ATOM 1246 CA ILE A 977 -13.551 -9.137 -4.135 1.00 0.00 C ATOM 1247 C ILE A 977 -12.179 -9.805 -4.059 1.00 0.00 C ATOM 1248 O ILE A 977 -11.905 -10.745 -4.806 1.00 0.00 O ATOM 1249 CB ILE A 977 -13.513 -7.997 -5.163 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -14.835 -7.230 -5.124 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -13.263 -8.554 -6.557 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -14.990 -6.238 -6.247 1.00 0.00 C ATOM 0 H ILE A 977 -14.778 -9.216 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 977 -14.273 -9.886 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 977 -12.699 -7.316 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -15.660 -7.942 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -14.912 -6.704 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -13.238 -7.736 -7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -12.309 -9.080 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -14.063 -9.246 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.951 -5.732 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -14.186 -5.503 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -14.945 -6.760 -7.203 1.00 0.00 H new ATOM 1264 N THR A 978 -11.316 -9.325 -3.163 1.00 0.00 N ATOM 1265 CA THR A 978 -9.981 -9.896 -3.026 1.00 0.00 C ATOM 1266 C THR A 978 -9.491 -9.894 -1.577 1.00 0.00 C ATOM 1267 O THR A 978 -9.637 -10.890 -0.867 1.00 0.00 O ATOM 1268 CB THR A 978 -8.963 -9.150 -3.911 1.00 0.00 C ATOM 1269 OG1 THR A 978 -8.975 -7.749 -3.607 1.00 0.00 O ATOM 1270 CG2 THR A 978 -9.276 -9.353 -5.384 1.00 0.00 C ATOM 0 H THR A 978 -11.516 -8.551 -2.529 1.00 0.00 H new ATOM 0 HA THR A 978 -10.058 -10.932 -3.356 1.00 0.00 H new ATOM 0 HB THR A 978 -7.973 -9.557 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 978 -9.367 -7.255 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 978 -8.544 -8.817 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 978 -9.235 -10.416 -5.622 1.00 0.00 H new ATOM 0 HG23 THR A 978 -10.274 -8.972 -5.600 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.890 -8.784 -1.145 1.00 0.00 N ATOM 1279 CA ASP A 979 -8.358 -8.675 0.216 1.00 0.00 C ATOM 1280 C ASP A 979 -8.302 -7.223 0.674 1.00 0.00 C ATOM 1281 O ASP A 979 -7.646 -6.902 1.663 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.944 -9.243 0.271 1.00 0.00 C ATOM 1283 CG ASP A 979 -6.859 -10.705 -0.126 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -7.060 -11.012 -1.320 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -6.593 -11.544 0.759 1.00 0.00 O ATOM 0 H ASP A 979 -8.759 -7.949 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 979 -9.024 -9.236 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.301 -8.659 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -6.554 -9.127 1.282 1.00 0.00 H new ATOM 1290 N ILE A 980 -8.978 -6.363 -0.071 1.00 0.00 N ATOM 1291 CA ILE A 980 -9.029 -4.922 0.207 1.00 0.00 C ATOM 1292 C ILE A 980 -7.640 -4.319 0.406 1.00 0.00 C ATOM 1293 O ILE A 980 -7.468 -3.386 1.190 1.00 0.00 O ATOM 1294 CB ILE A 980 -9.920 -4.566 1.425 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -9.386 -5.178 2.722 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -11.350 -5.014 1.178 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -10.193 -4.808 3.948 1.00 0.00 C ATOM 0 H ILE A 980 -9.514 -6.640 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 980 -9.482 -4.485 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.899 -3.483 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -9.371 -6.263 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -8.354 -4.857 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -11.965 -4.758 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -11.740 -4.513 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -11.372 -6.093 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -9.754 -5.278 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -10.187 -3.725 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -11.220 -5.153 3.826 1.00 0.00 H new ATOM 1309 N GLN A 981 -6.658 -4.833 -0.328 1.00 0.00 N ATOM 1310 CA GLN A 981 -5.297 -4.315 -0.245 1.00 0.00 C ATOM 1311 C GLN A 981 -5.197 -2.999 -1.008 1.00 0.00 C ATOM 1312 O GLN A 981 -5.935 -2.781 -1.968 1.00 0.00 O ATOM 1313 CB GLN A 981 -4.289 -5.319 -0.811 1.00 0.00 C ATOM 1314 CG GLN A 981 -4.176 -6.608 -0.010 1.00 0.00 C ATOM 1315 CD GLN A 981 -3.656 -6.400 1.401 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -3.221 -5.183 1.710 1.00 0.00 O flip ATOM 1317 NE2 GLN A 981 -3.631 -7.332 2.205 1.00 0.00 N flip ATOM 0 H GLN A 981 -6.778 -5.604 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 981 -5.060 -4.148 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -4.573 -5.564 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -3.308 -4.846 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -5.156 -7.083 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -3.514 -7.296 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -3.974 -8.252 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -3.267 -7.184 3.146 1.00 0.00 H new ATOM 1326 N VAL A 982 -4.288 -2.125 -0.580 1.00 0.00 N ATOM 1327 CA VAL A 982 -4.106 -0.834 -1.238 1.00 0.00 C ATOM 1328 C VAL A 982 -3.866 -1.015 -2.734 1.00 0.00 C ATOM 1329 O VAL A 982 -2.725 -1.128 -3.186 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.930 -0.046 -0.624 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.678 1.237 -1.400 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -3.199 0.255 0.843 1.00 0.00 C ATOM 0 H VAL A 982 -3.670 -2.286 0.215 1.00 0.00 H new ATOM 0 HA VAL A 982 -5.024 -0.266 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 982 -2.033 -0.662 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.845 1.777 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.437 0.995 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.572 1.861 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.360 0.811 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -4.108 0.850 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -3.322 -0.680 1.390 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.954 -1.051 -3.495 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.857 -1.227 -4.931 1.00 0.00 C ATOM 1344 C GLY A 983 -6.158 -1.716 -5.538 1.00 0.00 C ATOM 1345 O GLY A 983 -6.578 -1.240 -6.593 1.00 0.00 O ATOM 0 H GLY A 983 -5.906 -0.961 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.576 -0.281 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.063 -1.940 -5.155 1.00 0.00 H new ATOM 1349 N SER A 984 -6.797 -2.673 -4.867 1.00 0.00 N ATOM 1350 CA SER A 984 -8.057 -3.232 -5.344 1.00 0.00 C ATOM 1351 C SER A 984 -9.214 -2.274 -5.086 1.00 0.00 C ATOM 1352 O SER A 984 -9.007 -1.111 -4.733 1.00 0.00 O ATOM 1353 CB SER A 984 -8.330 -4.575 -4.661 1.00 0.00 C ATOM 1354 OG SER A 984 -7.291 -5.501 -4.922 1.00 0.00 O ATOM 0 H SER A 984 -6.462 -3.076 -3.992 1.00 0.00 H new ATOM 0 HA SER A 984 -7.973 -3.386 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 984 -8.427 -4.426 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 984 -9.279 -4.979 -5.014 1.00 0.00 H new ATOM 0 HG SER A 984 -7.550 -6.386 -4.590 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.435 -2.769 -5.263 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.627 -1.956 -5.054 1.00 0.00 C ATOM 1362 C ARG A 985 -12.814 -2.815 -4.626 1.00 0.00 C ATOM 1363 O ARG A 985 -13.073 -3.870 -5.203 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.974 -1.194 -6.336 1.00 0.00 C ATOM 1365 CG ARG A 985 -13.207 -0.314 -6.210 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.559 0.346 -7.535 1.00 0.00 C ATOM 1367 NE ARG A 985 -12.477 1.191 -8.034 1.00 0.00 N ATOM 1368 CZ ARG A 985 -12.539 1.869 -9.175 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -13.627 1.802 -9.933 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -11.513 2.615 -9.561 1.00 0.00 N ATOM 0 H ARG A 985 -10.624 -3.729 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.414 -1.246 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -11.124 -0.574 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -12.131 -1.910 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -14.050 -0.914 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.032 0.453 -5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -13.787 -0.423 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -14.460 0.947 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 985 -11.627 1.265 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -14.418 1.229 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -13.672 2.324 -10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -10.675 2.669 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -11.562 3.135 -10.437 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.534 -2.343 -3.613 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.704 -3.047 -3.100 1.00 0.00 C ATOM 1386 C ILE A 986 -15.980 -2.509 -3.736 1.00 0.00 C ATOM 1387 O ILE A 986 -16.191 -1.298 -3.794 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.808 -2.908 -1.574 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.795 -1.430 -1.176 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -13.675 -3.665 -0.898 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.932 -1.196 0.311 1.00 0.00 C ATOM 0 H ILE A 986 -13.326 -1.470 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 986 -14.587 -4.100 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 986 -15.751 -3.342 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.865 -0.979 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.608 -0.918 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -13.760 -3.558 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -13.733 -4.720 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -12.719 -3.259 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.914 -0.125 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.875 -1.616 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -14.105 -1.678 0.833 1.00 0.00 H new ATOM 1403 N THR A 987 -16.830 -3.411 -4.212 1.00 0.00 N ATOM 1404 CA THR A 987 -18.083 -3.007 -4.840 1.00 0.00 C ATOM 1405 C THR A 987 -19.256 -3.122 -3.883 1.00 0.00 C ATOM 1406 O THR A 987 -19.464 -4.160 -3.256 1.00 0.00 O ATOM 1407 CB THR A 987 -18.380 -3.820 -6.109 1.00 0.00 C ATOM 1408 OG1 THR A 987 -18.043 -5.198 -5.907 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.610 -3.256 -7.288 1.00 0.00 C ATOM 0 H THR A 987 -16.677 -4.419 -4.176 1.00 0.00 H new ATOM 0 HA THR A 987 -17.956 -1.961 -5.118 1.00 0.00 H new ATOM 0 HB THR A 987 -19.446 -3.751 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 987 -18.239 -5.705 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.830 -3.842 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.905 -2.220 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.541 -3.301 -7.079 1.00 0.00 H new ATOM 1417 N TYR A 988 -20.023 -2.047 -3.785 1.00 0.00 N ATOM 1418 CA TYR A 988 -21.187 -2.019 -2.905 1.00 0.00 C ATOM 1419 C TYR A 988 -22.462 -2.336 -3.676 1.00 0.00 C ATOM 1420 O TYR A 988 -22.650 -1.876 -4.802 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.324 -0.655 -2.224 1.00 0.00 C ATOM 1422 CG TYR A 988 -20.205 -0.325 -1.261 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.896 -0.181 -1.702 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -20.466 -0.144 0.092 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.878 0.130 -0.822 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -19.453 0.170 0.978 1.00 0.00 C ATOM 1427 CZ TYR A 988 -18.162 0.305 0.516 1.00 0.00 C ATOM 1428 OH TYR A 988 -17.151 0.618 1.396 1.00 0.00 O ATOM 0 H TYR A 988 -19.863 -1.182 -4.302 1.00 0.00 H new ATOM 0 HA TYR A 988 -21.039 -2.782 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.367 0.118 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -22.272 -0.624 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.671 -0.314 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -21.477 -0.250 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.865 0.236 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -19.672 0.309 2.026 1.00 0.00 H new ATOM 0 HH TYR A 988 -17.059 1.592 1.455 1.00 0.00 H new ATOM 1438 N SER A 989 -23.342 -3.116 -3.059 1.00 0.00 N ATOM 1439 CA SER A 989 -24.605 -3.480 -3.688 1.00 0.00 C ATOM 1440 C SER A 989 -25.661 -3.789 -2.635 1.00 0.00 C ATOM 1441 O SER A 989 -25.560 -4.781 -1.913 1.00 0.00 O ATOM 1442 CB SER A 989 -24.412 -4.689 -4.605 1.00 0.00 C ATOM 1443 OG SER A 989 -25.639 -5.081 -5.197 1.00 0.00 O ATOM 0 H SER A 989 -23.205 -3.507 -2.127 1.00 0.00 H new ATOM 0 HA SER A 989 -24.946 -2.634 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 989 -23.690 -4.447 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 989 -23.998 -5.520 -4.034 1.00 0.00 H new ATOM 0 HG SER A 989 -25.489 -5.855 -5.780 1.00 0.00 H new ATOM 1449 N CYS A 990 -26.674 -2.931 -2.552 1.00 0.00 N ATOM 1450 CA CYS A 990 -27.746 -3.118 -1.584 1.00 0.00 C ATOM 1451 C CYS A 990 -28.765 -4.123 -2.101 1.00 0.00 C ATOM 1452 O CYS A 990 -29.085 -4.139 -3.289 1.00 0.00 O ATOM 1453 CB CYS A 990 -28.450 -1.793 -1.279 1.00 0.00 C ATOM 1454 SG CYS A 990 -29.220 -1.746 0.368 1.00 0.00 S ATOM 0 H CYS A 990 -26.773 -2.104 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 990 -27.298 -3.498 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -27.728 -0.980 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -29.215 -1.614 -2.035 1.00 0.00 H new ATOM 1459 N THR A 991 -29.286 -4.951 -1.203 1.00 0.00 N ATOM 1460 CA THR A 991 -30.281 -5.942 -1.583 1.00 0.00 C ATOM 1461 C THR A 991 -31.550 -5.243 -2.049 1.00 0.00 C ATOM 1462 O THR A 991 -31.819 -4.109 -1.654 1.00 0.00 O ATOM 1463 CB THR A 991 -30.628 -6.885 -0.415 1.00 0.00 C ATOM 1464 OG1 THR A 991 -31.429 -7.973 -0.890 1.00 0.00 O ATOM 1465 CG2 THR A 991 -31.386 -6.138 0.671 1.00 0.00 C ATOM 0 H THR A 991 -29.037 -4.955 -0.214 1.00 0.00 H new ATOM 0 HA THR A 991 -29.857 -6.540 -2.390 1.00 0.00 H new ATOM 0 HB THR A 991 -29.698 -7.269 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 991 -31.645 -8.570 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 991 -31.621 -6.822 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 991 -30.770 -5.321 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 991 -32.310 -5.734 0.258 1.00 0.00 H new ATOM 1473 N THR A 992 -32.320 -5.915 -2.896 1.00 0.00 N ATOM 1474 CA THR A 992 -33.554 -5.343 -3.417 1.00 0.00 C ATOM 1475 C THR A 992 -34.376 -4.694 -2.305 1.00 0.00 C ATOM 1476 O THR A 992 -34.941 -5.378 -1.451 1.00 0.00 O ATOM 1477 CB THR A 992 -34.404 -6.415 -4.126 1.00 0.00 C ATOM 1478 OG1 THR A 992 -35.640 -5.848 -4.577 1.00 0.00 O ATOM 1479 CG2 THR A 992 -34.682 -7.593 -3.204 1.00 0.00 C ATOM 0 H THR A 992 -32.112 -6.854 -3.236 1.00 0.00 H new ATOM 0 HA THR A 992 -33.274 -4.577 -4.140 1.00 0.00 H new ATOM 0 HB THR A 992 -33.839 -6.778 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 992 -36.171 -6.538 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 992 -35.284 -8.334 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 992 -33.739 -8.044 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 992 -35.223 -7.246 -2.324 1.00 0.00 H new ATOM 1487 N GLY A 993 -34.435 -3.364 -2.318 1.00 0.00 N ATOM 1488 CA GLY A 993 -35.187 -2.650 -1.305 1.00 0.00 C ATOM 1489 C GLY A 993 -34.765 -1.198 -1.162 1.00 0.00 C ATOM 1490 O GLY A 993 -35.611 -0.310 -1.056 1.00 0.00 O ATOM 0 H GLY A 993 -33.976 -2.772 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -36.248 -2.691 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -35.063 -3.154 -0.347 1.00 0.00 H new ATOM 1494 N HIS A 994 -33.456 -0.953 -1.144 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.933 0.396 -0.995 1.00 0.00 C ATOM 1496 C HIS A 994 -31.949 0.731 -2.107 1.00 0.00 C ATOM 1497 O HIS A 994 -31.220 -0.136 -2.590 1.00 0.00 O ATOM 1498 CB HIS A 994 -32.233 0.535 0.359 1.00 0.00 C ATOM 1499 CG HIS A 994 -33.133 0.298 1.531 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -33.813 -0.885 1.730 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -33.455 1.096 2.577 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -34.516 -0.804 2.847 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -34.316 0.387 3.379 1.00 0.00 N ATOM 0 H HIS A 994 -32.741 -1.675 -1.231 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.771 1.090 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -31.402 -0.170 0.402 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.807 1.535 0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -33.101 2.102 2.748 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -35.147 -1.580 3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -34.733 0.726 4.246 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.918 2.000 -2.492 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.008 2.461 -3.529 1.00 0.00 C ATOM 1514 C ARG A 995 -29.697 2.900 -2.891 1.00 0.00 C ATOM 1515 O ARG A 995 -29.694 3.511 -1.825 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.629 3.619 -4.315 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.002 4.812 -3.450 1.00 0.00 C ATOM 1518 CD ARG A 995 -32.629 5.926 -4.273 1.00 0.00 C ATOM 1519 NE ARG A 995 -31.708 6.453 -5.275 1.00 0.00 N ATOM 1520 CZ ARG A 995 -32.024 7.425 -6.128 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -33.237 7.961 -6.107 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -31.127 7.857 -7.004 1.00 0.00 N ATOM 0 H ARG A 995 -32.514 2.729 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.817 1.643 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -30.927 3.943 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.521 3.261 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -32.699 4.496 -2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.112 5.188 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.525 5.551 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -32.944 6.732 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 995 -30.770 6.055 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -33.930 7.629 -5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -33.477 8.706 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -30.194 7.444 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -31.370 8.602 -7.657 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.589 2.556 -3.530 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.271 2.894 -3.007 1.00 0.00 C ATOM 1538 C LEU A 996 -26.971 4.388 -3.133 1.00 0.00 C ATOM 1539 O LEU A 996 -27.129 4.976 -4.203 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.203 2.074 -3.735 1.00 0.00 C ATOM 1541 CG LEU A 996 -24.770 2.303 -3.271 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -23.949 1.035 -3.435 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -24.154 3.451 -4.043 1.00 0.00 C ATOM 0 H LEU A 996 -28.575 2.043 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.259 2.651 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -26.440 1.016 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.262 2.298 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.777 2.563 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -22.928 1.217 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.391 0.236 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -23.939 0.742 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -23.130 3.608 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -24.153 3.215 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -24.735 4.357 -3.873 1.00 0.00 H new ATOM 1555 N ILE A 997 -26.516 4.987 -2.033 1.00 0.00 N ATOM 1556 CA ILE A 997 -26.166 6.404 -2.014 1.00 0.00 C ATOM 1557 C ILE A 997 -24.652 6.579 -1.896 1.00 0.00 C ATOM 1558 O ILE A 997 -24.100 6.592 -0.794 1.00 0.00 O ATOM 1559 CB ILE A 997 -26.869 7.164 -0.858 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -28.341 7.402 -1.178 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -26.195 8.490 -0.584 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -29.165 6.149 -1.179 1.00 0.00 C ATOM 0 H ILE A 997 -26.381 4.510 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 997 -26.512 6.830 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.792 6.539 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -28.755 8.098 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -28.419 7.879 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -26.710 8.999 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -25.155 8.319 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -26.233 9.109 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -30.201 6.395 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -28.777 5.459 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.117 5.681 -0.196 1.00 0.00 H new ATOM 1574 N GLY A 998 -23.987 6.709 -3.042 1.00 0.00 N ATOM 1575 CA GLY A 998 -22.545 6.883 -3.052 1.00 0.00 C ATOM 1576 C GLY A 998 -21.920 6.494 -4.379 1.00 0.00 C ATOM 1577 O GLY A 998 -22.573 6.548 -5.421 1.00 0.00 O ATOM 0 H GLY A 998 -24.422 6.697 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -22.307 7.924 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -22.105 6.282 -2.257 1.00 0.00 H new ATOM 1581 N HIS A 999 -20.650 6.097 -4.338 1.00 0.00 N ATOM 1582 CA HIS A 999 -19.932 5.691 -5.542 1.00 0.00 C ATOM 1583 C HIS A 999 -20.169 4.217 -5.853 1.00 0.00 C ATOM 1584 O HIS A 999 -20.235 3.822 -7.018 1.00 0.00 O ATOM 1585 CB HIS A 999 -18.430 5.954 -5.389 1.00 0.00 C ATOM 1586 CG HIS A 999 -18.076 7.405 -5.257 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -16.774 7.854 -5.174 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -18.857 8.510 -5.195 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -16.771 9.171 -5.067 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -18.021 9.592 -5.077 1.00 0.00 N ATOM 0 H HIS A 999 -20.097 6.048 -3.482 1.00 0.00 H new ATOM 0 HA HIS A 999 -20.315 6.286 -6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -18.066 5.420 -4.511 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -17.909 5.540 -6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -19.936 8.535 -5.232 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -15.894 9.796 -4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -18.318 10.565 -5.008 1.00 0.00 H new ATOM 1599 N SER A1000 -20.282 3.408 -4.800 1.00 0.00 N ATOM 1600 CA SER A1000 -20.500 1.970 -4.945 1.00 0.00 C ATOM 1601 C SER A1000 -19.277 1.295 -5.558 1.00 0.00 C ATOM 1602 O SER A1000 -19.352 0.162 -6.034 1.00 0.00 O ATOM 1603 CB SER A1000 -21.734 1.700 -5.812 1.00 0.00 C ATOM 1604 OG SER A1000 -21.956 0.311 -5.970 1.00 0.00 O ATOM 0 H SER A1000 -20.226 3.727 -3.833 1.00 0.00 H new ATOM 0 HA SER A1000 -20.666 1.553 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A1000 -22.610 2.161 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A1000 -21.603 2.163 -6.790 1.00 0.00 H new ATOM 0 HG SER A1000 -21.095 -0.156 -6.009 1.00 0.00 H new ATOM 1610 N SER A1001 -18.151 2.001 -5.537 1.00 0.00 N ATOM 1611 CA SER A1001 -16.907 1.479 -6.090 1.00 0.00 C ATOM 1612 C SER A1001 -15.703 2.188 -5.477 1.00 0.00 C ATOM 1613 O SER A1001 -14.914 2.817 -6.183 1.00 0.00 O ATOM 1614 CB SER A1001 -16.893 1.640 -7.611 1.00 0.00 C ATOM 1615 OG SER A1001 -16.992 3.004 -7.981 1.00 0.00 O ATOM 0 H SER A1001 -18.075 2.938 -5.142 1.00 0.00 H new ATOM 0 HA SER A1001 -16.844 0.418 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A1001 -15.974 1.216 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.721 1.081 -8.047 1.00 0.00 H new ATOM 0 HG SER A1001 -16.224 3.496 -7.624 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.569 2.090 -4.158 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.463 2.729 -3.457 1.00 0.00 C ATOM 1623 C ALA A1002 -13.187 1.903 -3.577 1.00 0.00 C ATOM 1624 O ALA A1002 -13.172 0.712 -3.265 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.819 2.941 -1.993 1.00 0.00 C ATOM 0 H ALA A1002 -16.211 1.575 -3.555 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.283 3.699 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -13.984 3.419 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -15.701 3.578 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.028 1.978 -1.526 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.118 2.547 -4.036 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.833 1.880 -4.204 1.00 0.00 C ATOM 1633 C GLU A1003 -9.938 2.112 -2.995 1.00 0.00 C ATOM 1634 O GLU A1003 -9.765 3.247 -2.550 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.133 2.393 -5.465 1.00 0.00 C ATOM 1636 CG GLU A1003 -8.822 1.684 -5.767 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.148 2.206 -7.021 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -8.706 3.123 -7.659 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -7.060 1.697 -7.364 1.00 0.00 O ATOM 0 H GLU A1003 -12.117 3.533 -4.299 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.018 0.810 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.804 2.275 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -9.942 3.460 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.146 1.803 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -9.009 0.616 -5.878 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.354 1.038 -2.477 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.460 1.148 -1.332 1.00 0.00 C ATOM 1648 C CYS A1004 -7.156 1.800 -1.771 1.00 0.00 C ATOM 1649 O CYS A1004 -6.468 1.287 -2.653 1.00 0.00 O ATOM 1650 CB CYS A1004 -8.187 -0.236 -0.737 1.00 0.00 C ATOM 1651 SG CYS A1004 -7.192 -0.220 0.789 1.00 0.00 S ATOM 0 H CYS A1004 -9.482 0.089 -2.828 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.931 1.764 -0.566 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -9.140 -0.722 -0.529 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.675 -0.844 -1.483 1.00 0.00 H new ATOM 1656 N ILE A1005 -6.824 2.942 -1.176 1.00 0.00 N ATOM 1657 CA ILE A1005 -5.606 3.647 -1.547 1.00 0.00 C ATOM 1658 C ILE A1005 -4.804 4.090 -0.327 1.00 0.00 C ATOM 1659 O ILE A1005 -4.919 3.511 0.754 1.00 0.00 O ATOM 1660 CB ILE A1005 -5.921 4.884 -2.413 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -6.779 5.879 -1.627 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -6.625 4.466 -3.697 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -7.055 7.168 -2.372 1.00 0.00 C ATOM 0 H ILE A1005 -7.374 3.392 -0.445 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.007 2.940 -2.120 1.00 0.00 H new ATOM 0 HB ILE A1005 -4.983 5.373 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -7.728 5.406 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -6.279 6.113 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -6.841 5.349 -4.298 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -5.981 3.792 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -7.557 3.957 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -7.668 7.822 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -6.112 7.664 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -7.584 6.946 -3.299 1.00 0.00 H new ATOM 1675 N LEU A1006 -3.989 5.121 -0.519 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.151 5.650 0.547 1.00 0.00 C ATOM 1677 C LEU A1006 -2.863 7.132 0.332 1.00 0.00 C ATOM 1678 O LEU A1006 -2.533 7.557 -0.775 1.00 0.00 O ATOM 1679 CB LEU A1006 -1.833 4.873 0.606 1.00 0.00 C ATOM 1680 CG LEU A1006 -0.781 5.435 1.566 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.280 5.382 3.000 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.524 4.669 1.430 1.00 0.00 C ATOM 0 H LEU A1006 -3.892 5.609 -1.410 1.00 0.00 H new ATOM 0 HA LEU A1006 -3.686 5.536 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.050 3.844 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -1.405 4.840 -0.396 1.00 0.00 H new ATOM 0 HG LEU A1006 -0.601 6.478 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.517 5.786 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.191 5.974 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.490 4.348 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A1006 1.261 5.081 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.355 3.618 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.893 4.758 0.408 1.00 0.00 H new ATOM 1694 N SER A1007 -2.982 7.910 1.401 1.00 0.00 N ATOM 1695 CA SER A1007 -2.728 9.343 1.336 1.00 0.00 C ATOM 1696 C SER A1007 -1.253 9.630 1.593 1.00 0.00 C ATOM 1697 O SER A1007 -0.625 10.413 0.878 1.00 0.00 O ATOM 1698 CB SER A1007 -3.590 10.080 2.362 1.00 0.00 C ATOM 1699 OG SER A1007 -3.353 11.477 2.319 1.00 0.00 O ATOM 0 H SER A1007 -3.253 7.572 2.324 1.00 0.00 H new ATOM 0 HA SER A1007 -2.987 9.697 0.338 1.00 0.00 H new ATOM 0 HB2 SER A1007 -4.644 9.881 2.166 1.00 0.00 H new ATOM 0 HB3 SER A1007 -3.374 9.702 3.361 1.00 0.00 H new ATOM 0 HG SER A1007 -3.917 11.925 2.983 1.00 0.00 H new ATOM 1705 N GLY A1008 -0.708 8.983 2.616 1.00 0.00 N ATOM 1706 CA GLY A1008 0.688 9.166 2.962 1.00 0.00 C ATOM 1707 C GLY A1008 1.012 8.607 4.332 1.00 0.00 C ATOM 1708 O GLY A1008 1.971 7.853 4.495 1.00 0.00 O ATOM 0 H GLY A1008 -1.213 8.330 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A1008 1.314 8.678 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A1008 0.931 10.228 2.937 1.00 0.00 H new ATOM 1712 N ASN A1009 0.202 8.979 5.316 1.00 0.00 N ATOM 1713 CA ASN A1009 0.388 8.517 6.687 1.00 0.00 C ATOM 1714 C ASN A1009 -0.439 7.267 6.959 1.00 0.00 C ATOM 1715 O ASN A1009 -0.011 6.372 7.688 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.007 9.614 7.674 1.00 0.00 C ATOM 1717 CG ASN A1009 0.756 10.903 7.445 1.00 0.00 C ATOM 1718 OD1 ASN A1009 1.983 10.934 7.524 1.00 0.00 O ATOM 1719 ND2 ASN A1009 0.030 11.978 7.159 1.00 0.00 N ATOM 0 H ASN A1009 -0.595 9.603 5.189 1.00 0.00 H new ATOM 0 HA ASN A1009 1.442 8.274 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -1.076 9.808 7.588 1.00 0.00 H new ATOM 0 HB3 ASN A1009 0.172 9.265 8.691 1.00 0.00 H new ATOM 0 HD21 ASN A1009 0.489 12.874 6.995 1.00 0.00 H new ATOM 0 HD22 ASN A1009 -0.986 11.907 7.103 1.00 0.00 H new ATOM 1726 N THR A1010 -1.637 7.224 6.384 1.00 0.00 N ATOM 1727 CA THR A1010 -2.540 6.099 6.582 1.00 0.00 C ATOM 1728 C THR A1010 -3.360 5.806 5.328 1.00 0.00 C ATOM 1729 O THR A1010 -3.742 6.718 4.595 1.00 0.00 O ATOM 1730 CB THR A1010 -3.497 6.369 7.758 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.753 6.506 8.975 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.512 5.250 7.903 1.00 0.00 C ATOM 0 H THR A1010 -2.004 7.957 5.777 1.00 0.00 H new ATOM 0 HA THR A1010 -1.921 5.230 6.805 1.00 0.00 H new ATOM 0 HB THR A1010 -4.032 7.296 7.552 1.00 0.00 H new ATOM 0 HG1 THR A1010 -3.369 6.679 9.717 1.00 0.00 H new ATOM 0 HG21 THR A1010 -5.175 5.466 8.741 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.098 5.170 6.988 1.00 0.00 H new ATOM 0 HG23 THR A1010 -3.993 4.309 8.085 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.629 4.523 5.092 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.405 4.097 3.933 1.00 0.00 C ATOM 1742 C ALA A1011 -5.895 4.303 4.177 1.00 0.00 C ATOM 1743 O ALA A1011 -6.376 4.148 5.300 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.116 2.636 3.614 1.00 0.00 C ATOM 0 H ALA A1011 -3.319 3.759 5.692 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.112 4.707 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.701 2.330 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.055 2.514 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.385 2.017 4.470 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.624 4.667 3.124 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.061 4.907 3.243 1.00 0.00 C ATOM 1752 C HIS A1012 -8.763 4.781 1.894 1.00 0.00 C ATOM 1753 O HIS A1012 -8.150 4.967 0.843 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.318 6.292 3.840 1.00 0.00 C ATOM 1755 CG HIS A1012 -7.737 7.413 3.034 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.087 7.660 1.724 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -6.826 8.359 3.363 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -7.415 8.707 1.280 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -6.644 9.150 2.255 1.00 0.00 N ATOM 0 H HIS A1012 -6.247 4.801 2.186 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.471 4.146 3.907 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.393 6.443 3.934 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -7.902 6.327 4.847 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -8.760 7.119 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.334 8.471 4.318 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -7.485 9.129 0.288 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.054 4.459 1.935 1.00 0.00 N ATOM 1769 CA TRP A1013 -10.848 4.304 0.726 1.00 0.00 C ATOM 1770 C TRP A1013 -11.051 5.641 0.027 1.00 0.00 C ATOM 1771 O TRP A1013 -11.096 6.692 0.666 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.203 3.675 1.049 1.00 0.00 C ATOM 1773 CG TRP A1013 -12.088 2.368 1.768 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -12.114 2.169 3.117 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.902 1.080 1.174 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.972 0.832 3.398 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.840 0.144 2.222 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.790 0.627 -0.144 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.668 -1.219 1.992 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.618 -0.724 -0.369 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -11.558 -1.633 0.694 1.00 0.00 C ATOM 0 H TRP A1013 -10.572 4.300 2.799 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.301 3.643 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.782 4.368 1.659 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.757 3.525 0.122 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -12.229 2.948 3.856 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -11.966 0.419 4.331 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.837 1.321 -0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -11.623 -1.923 2.810 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -11.528 -1.086 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -11.422 -2.684 0.484 1.00 0.00 H new ATOM 1792 N SER A1014 -11.170 5.585 -1.291 1.00 0.00 N ATOM 1793 CA SER A1014 -11.365 6.779 -2.102 1.00 0.00 C ATOM 1794 C SER A1014 -12.628 7.538 -1.700 1.00 0.00 C ATOM 1795 O SER A1014 -12.667 8.767 -1.768 1.00 0.00 O ATOM 1796 CB SER A1014 -11.444 6.392 -3.577 1.00 0.00 C ATOM 1797 OG SER A1014 -10.227 5.818 -4.021 1.00 0.00 O ATOM 0 H SER A1014 -11.135 4.717 -1.826 1.00 0.00 H new ATOM 0 HA SER A1014 -10.513 7.438 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A1014 -12.259 5.684 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A1014 -11.673 7.274 -4.175 1.00 0.00 H new ATOM 0 HG SER A1014 -10.068 4.977 -3.543 1.00 0.00 H new ATOM 1803 N THR A1015 -13.667 6.807 -1.296 1.00 0.00 N ATOM 1804 CA THR A1015 -14.928 7.437 -0.908 1.00 0.00 C ATOM 1805 C THR A1015 -15.594 6.727 0.263 1.00 0.00 C ATOM 1806 O THR A1015 -15.471 5.512 0.427 1.00 0.00 O ATOM 1807 CB THR A1015 -15.928 7.475 -2.076 1.00 0.00 C ATOM 1808 OG1 THR A1015 -17.165 8.051 -1.642 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.178 6.078 -2.623 1.00 0.00 C ATOM 0 H THR A1015 -13.661 5.789 -1.229 1.00 0.00 H new ATOM 0 HA THR A1015 -14.666 8.452 -0.610 1.00 0.00 H new ATOM 0 HB THR A1015 -15.501 8.087 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A1015 -17.796 8.073 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A1015 -16.888 6.132 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A1015 -15.240 5.654 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A1015 -16.585 5.446 -1.834 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.318 7.504 1.060 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.037 6.982 2.213 1.00 0.00 C ATOM 1819 C LYS A1016 -18.048 5.926 1.763 1.00 0.00 C ATOM 1820 O LYS A1016 -18.735 6.109 0.756 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.735 8.138 2.941 1.00 0.00 C ATOM 1822 CG LYS A1016 -18.424 7.750 4.242 1.00 0.00 C ATOM 1823 CD LYS A1016 -19.765 7.076 3.999 1.00 0.00 C ATOM 1824 CE LYS A1016 -20.456 6.722 5.306 1.00 0.00 C ATOM 1825 NZ LYS A1016 -20.711 7.927 6.143 1.00 0.00 N ATOM 0 H LYS A1016 -16.422 8.510 0.925 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.337 6.508 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -16.998 8.913 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.475 8.577 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -17.778 7.078 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -18.572 8.640 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -20.405 7.737 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -19.617 6.172 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -21.400 6.221 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -19.840 6.017 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -21.382 7.688 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -19.817 8.254 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -21.112 8.682 5.551 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.146 4.800 2.493 1.00 0.00 N ATOM 1840 CA PRO A1017 -19.071 3.713 2.148 1.00 0.00 C ATOM 1841 C PRO A1017 -20.502 4.199 1.913 1.00 0.00 C ATOM 1842 O PRO A1017 -21.129 4.764 2.808 1.00 0.00 O ATOM 1843 CB PRO A1017 -19.014 2.801 3.376 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.668 3.046 3.966 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.353 4.492 3.699 1.00 0.00 C ATOM 0 HA PRO A1017 -18.788 3.225 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.807 3.041 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -19.140 1.755 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.668 2.838 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.920 2.394 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.637 5.126 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.287 4.646 3.529 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.040 3.975 0.698 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.405 4.385 0.344 1.00 0.00 C ATOM 1855 C PRO A1018 -23.454 3.788 1.279 1.00 0.00 C ATOM 1856 O PRO A1018 -23.280 2.685 1.800 1.00 0.00 O ATOM 1857 CB PRO A1018 -22.595 3.857 -1.083 1.00 0.00 C ATOM 1858 CG PRO A1018 -21.509 2.856 -1.284 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.365 3.304 -0.423 1.00 0.00 C ATOM 0 HA PRO A1018 -22.531 5.465 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -23.577 3.401 -1.205 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -22.525 4.664 -1.813 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -21.842 1.858 -1.001 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.213 2.808 -2.332 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -19.760 2.463 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -19.699 3.981 -0.957 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.533 4.533 1.503 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.604 4.088 2.394 1.00 0.00 C ATOM 1869 C ILE A1019 -26.838 3.632 1.632 1.00 0.00 C ATOM 1870 O ILE A1019 -27.187 4.200 0.598 1.00 0.00 O ATOM 1871 CB ILE A1019 -26.075 5.214 3.325 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.000 6.281 3.494 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.479 4.640 4.675 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -25.574 7.618 3.902 1.00 0.00 C ATOM 0 H ILE A1019 -24.690 5.448 1.080 1.00 0.00 H new ATOM 0 HA ILE A1019 -25.172 3.262 2.958 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.943 5.691 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.281 5.953 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.454 6.394 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -26.812 5.447 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -27.291 3.926 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.624 4.136 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -24.767 8.343 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -26.272 7.962 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.097 7.515 4.853 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.533 2.648 2.190 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.772 2.172 1.598 1.00 0.00 C ATOM 1888 C CYS A1020 -29.900 3.107 2.006 1.00 0.00 C ATOM 1889 O CYS A1020 -29.986 3.510 3.166 1.00 0.00 O ATOM 1890 CB CYS A1020 -29.102 0.754 2.059 1.00 0.00 C ATOM 1891 SG CYS A1020 -27.985 -0.534 1.429 1.00 0.00 S ATOM 0 H CYS A1020 -27.260 2.168 3.047 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.655 2.157 0.514 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -29.085 0.728 3.149 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -30.120 0.515 1.751 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.758 3.459 1.064 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.865 4.356 1.363 1.00 0.00 C ATOM 1898 C GLN A1021 -33.086 3.984 0.535 1.00 0.00 C ATOM 1899 O GLN A1021 -32.983 3.767 -0.671 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.453 5.803 1.088 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.325 6.834 1.779 1.00 0.00 C ATOM 1902 CD GLN A1021 -31.931 8.265 1.453 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -30.888 8.431 0.645 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -32.558 9.213 1.925 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.713 3.143 0.095 1.00 0.00 H new ATOM 0 HA GLN A1021 -32.123 4.259 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -30.420 5.943 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.481 5.980 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.364 6.675 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -32.268 6.685 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.353 9.043 2.541 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -32.283 10.169 1.700 1.00 0.00 H new ATOM 1913 N ARG A1022 -34.236 3.897 1.195 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.479 3.531 0.523 1.00 0.00 C ATOM 1915 C ARG A1022 -35.638 4.255 -0.798 1.00 0.00 C ATOM 1916 O ARG A1022 -35.387 5.455 -0.908 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.686 3.812 1.417 1.00 0.00 C ATOM 1918 CG ARG A1022 -38.012 3.583 0.713 1.00 0.00 C ATOM 1919 CD ARG A1022 -39.196 3.650 1.667 1.00 0.00 C ATOM 1920 NE ARG A1022 -39.379 4.979 2.249 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.696 5.439 3.296 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -37.832 4.656 3.930 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -38.893 6.678 3.724 1.00 0.00 N ATOM 0 H ARG A1022 -34.334 4.075 2.195 1.00 0.00 H new ATOM 0 HA ARG A1022 -35.428 2.461 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -36.634 3.174 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.640 4.843 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -38.138 4.330 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.997 2.609 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -40.103 3.363 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -39.054 2.924 2.467 1.00 0.00 H new ATOM 0 HE ARG A1022 -40.075 5.593 1.826 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -37.688 3.696 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -37.312 5.014 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -39.568 7.280 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -38.370 7.030 4.526 1.00 0.00 H new ATOM 1937 N ILE A1023 -36.059 3.497 -1.797 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.263 4.024 -3.127 1.00 0.00 C ATOM 1939 C ILE A1023 -37.537 4.863 -3.194 1.00 0.00 C ATOM 1940 O ILE A1023 -38.612 4.404 -2.808 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.354 2.882 -4.151 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.113 1.989 -4.065 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -36.507 3.451 -5.543 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -35.152 0.800 -5.002 1.00 0.00 C ATOM 0 H ILE A1023 -36.267 2.503 -1.705 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.409 4.658 -3.365 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.228 2.272 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.230 2.587 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -35.005 1.630 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -36.571 2.636 -6.264 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -37.415 4.052 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -35.645 4.076 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -34.240 0.214 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -36.016 0.178 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -35.228 1.150 -6.031 1.00 0.00 H new ATOM 1956 N PRO A1024 -37.433 6.109 -3.686 1.00 0.00 N ATOM 1957 CA PRO A1024 -38.580 7.018 -3.801 1.00 0.00 C ATOM 1958 C PRO A1024 -39.647 6.488 -4.753 1.00 0.00 C ATOM 1959 O PRO A1024 -39.278 6.001 -5.842 1.00 0.00 O ATOM 1960 CB PRO A1024 -37.958 8.306 -4.356 1.00 0.00 C ATOM 1961 CG PRO A1024 -36.511 8.197 -4.024 1.00 0.00 C ATOM 1962 CD PRO A1024 -36.195 6.743 -4.165 1.00 0.00 C ATOM 1963 OXT PRO A1024 -40.843 6.563 -4.400 1.00 0.00 O ATOM 0 HA PRO A1024 -39.092 7.152 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -38.113 8.390 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -38.404 9.190 -3.900 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -35.904 8.801 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -36.310 8.549 -3.012 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -35.972 6.473 -5.197 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -35.331 6.454 -3.566 1.00 0.00 H new