USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 415 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 Single : A 912 SER OG : rot 56:sc= 0.17 USER MOD Single : A 913 SER OG : rot 6:sc= 0.725 USER MOD Single : A 916 GLN :FLIP amide:sc= -0.33 F(o=-0.89,f=-0.33) USER MOD Single : A 917 THR OG1 : rot 147:sc= 0.929 USER MOD Single : A 921 MET CE :methyl -112:sc= 0 (180deg=-0.422) USER MOD Single : A 923 HIS : no HD1:sc= -0.885 X(o=-0.88,f=-0.4) USER MOD Single : A 927 MET CE :methyl 154:sc= -0.188 (180deg=-0.792) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 935 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7.5!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ -145:sc= 0.244 (180deg=0.00236) USER MOD Single : A 942 HIS : no HE2:sc= -5.35! C(o=-5.4!,f=-7.8!) USER MOD Single : A 943 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.1) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.6) USER MOD Single : A 948 GLN : amide:sc= -0.0977 X(o=-0.098,f=0) USER MOD Single : A 951 THR OG1 : rot 87:sc= 0.39 USER MOD Single : A 955 GLN :FLIP amide:sc= -0.476 F(o=-1.3,f=-0.48) USER MOD Single : A 957 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 958 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.5!) USER MOD Single : A 959 ASN : amide:sc=-0.00241 X(o=-0.0024,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 13.268 4.306 -3.804 1.00 72.34 N ATOM 2 CA GLY A 908 12.166 5.166 -4.194 1.00 32.10 C ATOM 3 C GLY A 908 10.882 4.394 -4.426 1.00 12.23 C ATOM 4 O GLY A 908 10.790 3.200 -4.141 1.00 22.11 O ATOM 0 HA2 GLY A 908 12.001 5.914 -3.419 1.00 32.10 H new ATOM 0 HA3 GLY A 908 12.433 5.703 -5.104 1.00 32.10 H new ATOM 8 N PRO A 909 9.859 5.084 -4.953 1.00 64.22 N ATOM 9 CA PRO A 909 8.555 4.476 -5.233 1.00 64.34 C ATOM 10 C PRO A 909 8.614 3.486 -6.392 1.00 41.43 C ATOM 11 O PRO A 909 9.666 3.291 -7.003 1.00 1.14 O ATOM 12 CB PRO A 909 7.676 5.674 -5.598 1.00 11.53 C ATOM 13 CG PRO A 909 8.628 6.705 -6.099 1.00 63.51 C ATOM 14 CD PRO A 909 9.898 6.510 -5.317 1.00 51.22 C ATOM 0 HA PRO A 909 8.184 3.900 -4.385 1.00 64.34 H new ATOM 0 HB2 PRO A 909 6.943 5.409 -6.360 1.00 11.53 H new ATOM 0 HB3 PRO A 909 7.121 6.036 -4.733 1.00 11.53 H new ATOM 0 HG2 PRO A 909 8.806 6.586 -7.168 1.00 63.51 H new ATOM 0 HG3 PRO A 909 8.229 7.709 -5.952 1.00 63.51 H new ATOM 0 HD2 PRO A 909 10.778 6.748 -5.914 1.00 51.22 H new ATOM 0 HD3 PRO A 909 9.929 7.149 -4.435 1.00 51.22 H new ATOM 22 N LEU A 910 7.479 2.865 -6.691 1.00 72.14 N ATOM 23 CA LEU A 910 7.401 1.895 -7.779 1.00 12.34 C ATOM 24 C LEU A 910 6.696 2.493 -8.992 1.00 14.12 C ATOM 25 O LEU A 910 6.092 3.562 -8.908 1.00 31.34 O ATOM 26 CB LEU A 910 6.664 0.637 -7.315 1.00 3.53 C ATOM 27 CG LEU A 910 5.230 0.841 -6.826 1.00 53.44 C ATOM 28 CD1 LEU A 910 4.255 0.774 -7.992 1.00 14.14 C ATOM 29 CD2 LEU A 910 4.874 -0.194 -5.770 1.00 75.51 C ATOM 0 H LEU A 910 6.600 3.015 -6.196 1.00 72.14 H new ATOM 0 HA LEU A 910 8.417 1.627 -8.068 1.00 12.34 H new ATOM 0 HB2 LEU A 910 6.647 -0.075 -8.140 1.00 3.53 H new ATOM 0 HB3 LEU A 910 7.239 0.179 -6.510 1.00 3.53 H new ATOM 0 HG LEU A 910 5.157 1.830 -6.374 1.00 53.44 H new ATOM 0 HD11 LEU A 910 3.239 0.921 -7.626 1.00 14.14 H new ATOM 0 HD12 LEU A 910 4.497 1.554 -8.714 1.00 14.14 H new ATOM 0 HD13 LEU A 910 4.329 -0.201 -8.473 1.00 14.14 H new ATOM 0 HD21 LEU A 910 3.850 -0.033 -5.434 1.00 75.51 H new ATOM 0 HD22 LEU A 910 4.964 -1.194 -6.195 1.00 75.51 H new ATOM 0 HD23 LEU A 910 5.553 -0.098 -4.923 1.00 75.51 H new ATOM 41 N GLY A 911 6.775 1.794 -10.120 1.00 52.12 N ATOM 42 CA GLY A 911 6.138 2.270 -11.334 1.00 50.41 C ATOM 43 C GLY A 911 5.269 1.213 -11.986 1.00 44.14 C ATOM 44 O GLY A 911 5.665 0.600 -12.978 1.00 0.12 O ATOM 0 H GLY A 911 7.269 0.907 -10.215 1.00 52.12 H new ATOM 0 HA2 GLY A 911 5.529 3.144 -11.102 1.00 50.41 H new ATOM 0 HA3 GLY A 911 6.903 2.593 -12.040 1.00 50.41 H new ATOM 48 N SER A 912 4.083 0.997 -11.428 1.00 54.40 N ATOM 49 CA SER A 912 3.158 0.003 -11.959 1.00 32.45 C ATOM 50 C SER A 912 2.359 0.572 -13.127 1.00 61.01 C ATOM 51 O SER A 912 1.182 0.902 -12.986 1.00 54.13 O ATOM 52 CB SER A 912 2.206 -0.476 -10.861 1.00 31.33 C ATOM 53 OG SER A 912 1.623 0.620 -10.177 1.00 60.33 O ATOM 0 H SER A 912 3.740 1.497 -10.608 1.00 54.40 H new ATOM 0 HA SER A 912 3.742 -0.844 -12.320 1.00 32.45 H new ATOM 0 HB2 SER A 912 1.422 -1.094 -11.299 1.00 31.33 H new ATOM 0 HB3 SER A 912 2.748 -1.103 -10.154 1.00 31.33 H new ATOM 0 HG SER A 912 1.176 1.208 -10.822 1.00 60.33 H new ATOM 59 N SER A 913 3.009 0.684 -14.281 1.00 60.01 N ATOM 60 CA SER A 913 2.362 1.217 -15.474 1.00 71.13 C ATOM 61 C SER A 913 3.086 0.758 -16.736 1.00 62.31 C ATOM 62 O SER A 913 4.266 0.412 -16.695 1.00 64.24 O ATOM 63 CB SER A 913 2.326 2.745 -15.421 1.00 52.40 C ATOM 64 OG SER A 913 1.462 3.200 -14.393 1.00 65.41 O ATOM 0 H SER A 913 3.983 0.413 -14.415 1.00 60.01 H new ATOM 0 HA SER A 913 1.341 0.837 -15.503 1.00 71.13 H new ATOM 0 HB2 SER A 913 3.332 3.130 -15.252 1.00 52.40 H new ATOM 0 HB3 SER A 913 1.992 3.137 -16.381 1.00 52.40 H new ATOM 0 HG SER A 913 1.145 2.435 -13.869 1.00 65.41 H new ATOM 70 N GLU A 914 2.369 0.758 -17.856 1.00 23.34 N ATOM 71 CA GLU A 914 2.943 0.340 -19.129 1.00 42.25 C ATOM 72 C GLU A 914 3.808 1.447 -19.725 1.00 43.22 C ATOM 73 O GLU A 914 4.735 1.181 -20.491 1.00 2.33 O ATOM 74 CB GLU A 914 1.835 -0.041 -20.113 1.00 71.10 C ATOM 75 CG GLU A 914 2.351 -0.663 -21.400 1.00 14.11 C ATOM 76 CD GLU A 914 3.033 -1.997 -21.170 1.00 65.24 C ATOM 77 OE1 GLU A 914 2.343 -2.954 -20.761 1.00 55.15 O ATOM 78 OE2 GLU A 914 4.258 -2.085 -21.399 1.00 52.20 O ATOM 0 H GLU A 914 1.391 1.043 -17.907 1.00 23.34 H new ATOM 0 HA GLU A 914 3.572 -0.531 -18.946 1.00 42.25 H new ATOM 0 HB2 GLU A 914 1.155 -0.741 -19.628 1.00 71.10 H new ATOM 0 HB3 GLU A 914 1.255 0.849 -20.357 1.00 71.10 H new ATOM 0 HG2 GLU A 914 1.520 -0.799 -22.092 1.00 14.11 H new ATOM 0 HG3 GLU A 914 3.053 0.023 -21.875 1.00 14.11 H new ATOM 85 N ASP A 915 3.498 2.689 -19.369 1.00 20.31 N ATOM 86 CA ASP A 915 4.246 3.837 -19.867 1.00 64.11 C ATOM 87 C ASP A 915 5.731 3.698 -19.547 1.00 5.12 C ATOM 88 O ASP A 915 6.583 4.196 -20.282 1.00 43.31 O ATOM 89 CB ASP A 915 3.700 5.131 -19.261 1.00 61.33 C ATOM 90 CG ASP A 915 2.441 5.609 -19.957 1.00 33.22 C ATOM 91 OD1 ASP A 915 1.357 5.061 -19.664 1.00 65.14 O ATOM 92 OD2 ASP A 915 2.538 6.530 -20.794 1.00 43.42 O ATOM 0 H ASP A 915 2.733 2.926 -18.737 1.00 20.31 H new ATOM 0 HA ASP A 915 4.128 3.874 -20.950 1.00 64.11 H new ATOM 0 HB2 ASP A 915 3.489 4.973 -18.203 1.00 61.33 H new ATOM 0 HB3 ASP A 915 4.463 5.907 -19.322 1.00 61.33 H new ATOM 97 N GLN A 916 6.033 3.019 -18.445 1.00 11.13 N ATOM 98 CA GLN A 916 7.415 2.817 -18.027 1.00 22.03 C ATOM 99 C GLN A 916 8.207 2.080 -19.102 1.00 51.42 C ATOM 100 O GLN A 916 9.349 2.432 -19.399 1.00 2.53 O ATOM 101 CB GLN A 916 7.464 2.033 -16.714 1.00 52.11 C ATOM 102 CG GLN A 916 8.851 1.966 -16.097 1.00 23.42 C ATOM 103 CD GLN A 916 9.471 3.335 -15.903 1.00 1.40 C ATOM 104 OE1 GLN A 916 10.232 3.787 -16.893 1.00 51.12 O flip ATOM 105 NE2 GLN A 916 9.269 3.981 -14.874 1.00 73.25 N flip ATOM 0 H GLN A 916 5.339 2.600 -17.826 1.00 11.13 H new ATOM 0 HA GLN A 916 7.868 3.796 -17.875 1.00 22.03 H new ATOM 0 HB2 GLN A 916 6.780 2.492 -16.001 1.00 52.11 H new ATOM 0 HB3 GLN A 916 7.105 1.019 -16.892 1.00 52.11 H new ATOM 0 HG2 GLN A 916 8.792 1.459 -15.134 1.00 23.42 H new ATOM 0 HG3 GLN A 916 9.499 1.365 -16.735 1.00 23.42 H new ATOM 0 HE21 GLN A 916 8.677 3.596 -14.138 1.00 73.25 H new ATOM 0 HE22 GLN A 916 9.693 4.901 -14.758 1.00 73.25 H new ATOM 114 N THR A 917 7.593 1.055 -19.684 1.00 71.22 N ATOM 115 CA THR A 917 8.241 0.267 -20.726 1.00 15.44 C ATOM 116 C THR A 917 8.761 1.160 -21.846 1.00 44.11 C ATOM 117 O THR A 917 9.871 0.966 -22.342 1.00 10.32 O ATOM 118 CB THR A 917 7.277 -0.776 -21.322 1.00 21.21 C ATOM 119 OG1 THR A 917 6.800 -1.648 -20.291 1.00 1.11 O ATOM 120 CG2 THR A 917 7.966 -1.593 -22.405 1.00 3.43 C ATOM 0 H THR A 917 6.648 0.751 -19.452 1.00 71.22 H new ATOM 0 HA THR A 917 9.079 -0.249 -20.258 1.00 15.44 H new ATOM 0 HB THR A 917 6.435 -0.247 -21.768 1.00 21.21 H new ATOM 0 HG1 THR A 917 5.883 -1.927 -20.497 1.00 1.11 H new ATOM 0 HG21 THR A 917 7.266 -2.323 -22.811 1.00 3.43 H new ATOM 0 HG22 THR A 917 8.302 -0.930 -23.202 1.00 3.43 H new ATOM 0 HG23 THR A 917 8.824 -2.112 -21.979 1.00 3.43 H new ATOM 128 N ALA A 918 7.954 2.139 -22.241 1.00 34.14 N ATOM 129 CA ALA A 918 8.335 3.063 -23.301 1.00 52.41 C ATOM 130 C ALA A 918 9.693 3.695 -23.017 1.00 24.22 C ATOM 131 O ALA A 918 10.482 3.931 -23.931 1.00 50.44 O ATOM 132 CB ALA A 918 7.274 4.141 -23.468 1.00 42.40 C ATOM 0 H ALA A 918 7.031 2.312 -21.842 1.00 34.14 H new ATOM 0 HA ALA A 918 8.414 2.498 -24.230 1.00 52.41 H new ATOM 0 HB1 ALA A 918 7.572 4.824 -24.263 1.00 42.40 H new ATOM 0 HB2 ALA A 918 6.322 3.677 -23.725 1.00 42.40 H new ATOM 0 HB3 ALA A 918 7.168 4.694 -22.535 1.00 42.40 H new ATOM 138 N ALA A 919 9.960 3.966 -21.743 1.00 71.03 N ATOM 139 CA ALA A 919 11.224 4.569 -21.339 1.00 31.10 C ATOM 140 C ALA A 919 12.369 3.568 -21.446 1.00 71.42 C ATOM 141 O ALA A 919 13.470 3.912 -21.878 1.00 72.34 O ATOM 142 CB ALA A 919 11.122 5.107 -19.919 1.00 72.24 C ATOM 0 H ALA A 919 9.318 3.777 -20.973 1.00 71.03 H new ATOM 0 HA ALA A 919 11.436 5.397 -22.016 1.00 31.10 H new ATOM 0 HB1 ALA A 919 12.073 5.555 -19.630 1.00 72.24 H new ATOM 0 HB2 ALA A 919 10.337 5.861 -19.871 1.00 72.24 H new ATOM 0 HB3 ALA A 919 10.883 4.291 -19.237 1.00 72.24 H new ATOM 148 N LEU A 920 12.103 2.328 -21.050 1.00 24.22 N ATOM 149 CA LEU A 920 13.112 1.276 -21.101 1.00 25.52 C ATOM 150 C LEU A 920 13.514 0.976 -22.541 1.00 64.24 C ATOM 151 O LEU A 920 14.694 0.793 -22.842 1.00 33.13 O ATOM 152 CB LEU A 920 12.587 0.005 -20.431 1.00 72.31 C ATOM 153 CG LEU A 920 11.856 0.199 -19.102 1.00 40.51 C ATOM 154 CD1 LEU A 920 11.396 -1.139 -18.545 1.00 4.34 C ATOM 155 CD2 LEU A 920 12.750 0.917 -18.102 1.00 5.22 C ATOM 0 H LEU A 920 11.197 2.027 -20.690 1.00 24.22 H new ATOM 0 HA LEU A 920 13.993 1.626 -20.563 1.00 25.52 H new ATOM 0 HB2 LEU A 920 11.911 -0.495 -21.125 1.00 72.31 H new ATOM 0 HB3 LEU A 920 13.428 -0.668 -20.265 1.00 72.31 H new ATOM 0 HG LEU A 920 10.975 0.816 -19.280 1.00 40.51 H new ATOM 0 HD11 LEU A 920 10.878 -0.981 -17.599 1.00 4.34 H new ATOM 0 HD12 LEU A 920 10.719 -1.615 -19.254 1.00 4.34 H new ATOM 0 HD13 LEU A 920 12.261 -1.782 -18.382 1.00 4.34 H new ATOM 0 HD21 LEU A 920 12.214 1.047 -17.162 1.00 5.22 H new ATOM 0 HD22 LEU A 920 13.649 0.326 -17.928 1.00 5.22 H new ATOM 0 HD23 LEU A 920 13.028 1.893 -18.498 1.00 5.22 H new ATOM 167 N MET A 921 12.526 0.929 -23.429 1.00 10.34 N ATOM 168 CA MET A 921 12.778 0.655 -24.839 1.00 14.44 C ATOM 169 C MET A 921 13.767 1.660 -25.420 1.00 1.44 C ATOM 170 O MET A 921 14.571 1.323 -26.288 1.00 54.04 O ATOM 171 CB MET A 921 11.469 0.695 -25.629 1.00 55.44 C ATOM 172 CG MET A 921 10.498 -0.413 -25.255 1.00 64.54 C ATOM 173 SD MET A 921 9.330 -0.789 -26.576 1.00 52.23 S ATOM 174 CE MET A 921 8.908 -2.485 -26.183 1.00 52.53 C ATOM 0 H MET A 921 11.544 1.077 -23.197 1.00 10.34 H new ATOM 0 HA MET A 921 13.212 -0.342 -24.918 1.00 14.44 H new ATOM 0 HB2 MET A 921 10.987 1.659 -25.468 1.00 55.44 H new ATOM 0 HB3 MET A 921 11.694 0.625 -26.693 1.00 55.44 H new ATOM 0 HG2 MET A 921 11.059 -1.313 -25.005 1.00 64.54 H new ATOM 0 HG3 MET A 921 9.947 -0.122 -24.361 1.00 64.54 H new ATOM 0 HE1 MET A 921 9.303 -3.146 -26.954 1.00 52.53 H new ATOM 0 HE2 MET A 921 9.340 -2.753 -25.219 1.00 52.53 H new ATOM 0 HE3 MET A 921 7.824 -2.589 -26.137 1.00 52.53 H new ATOM 184 N ALA A 922 13.702 2.896 -24.934 1.00 65.12 N ATOM 185 CA ALA A 922 14.594 3.949 -25.404 1.00 70.04 C ATOM 186 C ALA A 922 16.040 3.655 -25.021 1.00 45.33 C ATOM 187 O ALA A 922 16.973 4.089 -25.699 1.00 0.24 O ATOM 188 CB ALA A 922 14.161 5.296 -24.845 1.00 31.00 C ATOM 0 H ALA A 922 13.041 3.192 -24.216 1.00 65.12 H new ATOM 0 HA ALA A 922 14.534 3.983 -26.492 1.00 70.04 H new ATOM 0 HB1 ALA A 922 14.836 6.073 -25.204 1.00 31.00 H new ATOM 0 HB2 ALA A 922 13.146 5.517 -25.174 1.00 31.00 H new ATOM 0 HB3 ALA A 922 14.191 5.265 -23.756 1.00 31.00 H new ATOM 194 N HIS A 923 16.221 2.917 -23.931 1.00 72.40 N ATOM 195 CA HIS A 923 17.555 2.565 -23.458 1.00 0.12 C ATOM 196 C HIS A 923 18.256 1.638 -24.447 1.00 14.32 C ATOM 197 O HIS A 923 19.470 1.720 -24.638 1.00 13.44 O ATOM 198 CB HIS A 923 17.473 1.897 -22.085 1.00 74.31 C ATOM 199 CG HIS A 923 16.850 2.763 -21.034 1.00 24.14 C ATOM 200 ND1 HIS A 923 16.705 4.127 -21.171 1.00 42.24 N ATOM 201 CD2 HIS A 923 16.333 2.451 -19.822 1.00 53.53 C ATOM 202 CE1 HIS A 923 16.127 4.618 -20.090 1.00 33.32 C ATOM 203 NE2 HIS A 923 15.890 3.621 -19.256 1.00 11.33 N ATOM 0 H HIS A 923 15.461 2.551 -23.358 1.00 72.40 H new ATOM 0 HA HIS A 923 18.137 3.483 -23.373 1.00 0.12 H new ATOM 0 HB2 HIS A 923 16.898 0.975 -22.172 1.00 74.31 H new ATOM 0 HB3 HIS A 923 18.477 1.617 -21.766 1.00 74.31 H new ATOM 0 HD2 HIS A 923 16.279 1.466 -19.383 1.00 53.53 H new ATOM 0 HE1 HIS A 923 15.889 5.657 -19.917 1.00 33.32 H new ATOM 0 HE2 HIS A 923 15.449 3.707 -18.340 1.00 11.33 H new ATOM 211 N LEU A 924 17.484 0.757 -25.072 1.00 74.35 N ATOM 212 CA LEU A 924 18.030 -0.187 -26.042 1.00 1.23 C ATOM 213 C LEU A 924 18.291 0.497 -27.380 1.00 54.01 C ATOM 214 O LEU A 924 19.341 0.306 -27.993 1.00 23.23 O ATOM 215 CB LEU A 924 17.071 -1.363 -26.235 1.00 50.31 C ATOM 216 CG LEU A 924 16.684 -2.129 -24.969 1.00 43.53 C ATOM 217 CD1 LEU A 924 15.199 -1.971 -24.683 1.00 60.31 C ATOM 218 CD2 LEU A 924 17.051 -3.599 -25.103 1.00 72.41 C ATOM 0 H LEU A 924 16.478 0.676 -24.925 1.00 74.35 H new ATOM 0 HA LEU A 924 18.978 -0.560 -25.655 1.00 1.23 H new ATOM 0 HB2 LEU A 924 16.160 -0.990 -26.702 1.00 50.31 H new ATOM 0 HB3 LEU A 924 17.524 -2.064 -26.936 1.00 50.31 H new ATOM 0 HG LEU A 924 17.240 -1.712 -24.130 1.00 43.53 H new ATOM 0 HD11 LEU A 924 14.942 -2.523 -23.779 1.00 60.31 H new ATOM 0 HD12 LEU A 924 14.966 -0.916 -24.543 1.00 60.31 H new ATOM 0 HD13 LEU A 924 14.623 -2.361 -25.522 1.00 60.31 H new ATOM 0 HD21 LEU A 924 16.769 -4.129 -24.193 1.00 72.41 H new ATOM 0 HD22 LEU A 924 16.522 -4.030 -25.953 1.00 72.41 H new ATOM 0 HD23 LEU A 924 18.126 -3.693 -25.259 1.00 72.41 H new ATOM 230 N PHE A 925 17.328 1.297 -27.827 1.00 60.44 N ATOM 231 CA PHE A 925 17.454 2.011 -29.093 1.00 34.53 C ATOM 232 C PHE A 925 18.708 2.880 -29.105 1.00 32.42 C ATOM 233 O PHE A 925 19.278 3.149 -30.161 1.00 62.43 O ATOM 234 CB PHE A 925 16.217 2.877 -29.339 1.00 33.12 C ATOM 235 CG PHE A 925 14.929 2.105 -29.312 1.00 72.52 C ATOM 236 CD1 PHE A 925 14.857 0.832 -29.856 1.00 42.33 C ATOM 237 CD2 PHE A 925 13.790 2.651 -28.744 1.00 34.05 C ATOM 238 CE1 PHE A 925 13.674 0.119 -29.833 1.00 73.41 C ATOM 239 CE2 PHE A 925 12.604 1.942 -28.717 1.00 75.11 C ATOM 240 CZ PHE A 925 12.545 0.675 -29.264 1.00 22.24 C ATOM 0 H PHE A 925 16.453 1.467 -27.332 1.00 60.44 H new ATOM 0 HA PHE A 925 17.537 1.273 -29.891 1.00 34.53 H new ATOM 0 HB2 PHE A 925 16.177 3.662 -28.583 1.00 33.12 H new ATOM 0 HB3 PHE A 925 16.315 3.370 -30.306 1.00 33.12 H new ATOM 0 HD1 PHE A 925 15.736 0.392 -30.303 1.00 42.33 H new ATOM 0 HD2 PHE A 925 13.829 3.642 -28.317 1.00 34.05 H new ATOM 0 HE1 PHE A 925 13.632 -0.872 -30.260 1.00 73.41 H new ATOM 0 HE2 PHE A 925 11.724 2.378 -28.268 1.00 75.11 H new ATOM 0 HZ PHE A 925 11.618 0.121 -29.247 1.00 22.24 H new ATOM 250 N GLU A 926 19.130 3.315 -27.922 1.00 11.41 N ATOM 251 CA GLU A 926 20.315 4.155 -27.797 1.00 4.23 C ATOM 252 C GLU A 926 21.542 3.453 -28.372 1.00 5.54 C ATOM 253 O GLU A 926 22.446 4.097 -28.904 1.00 2.44 O ATOM 254 CB GLU A 926 20.560 4.515 -26.330 1.00 24.53 C ATOM 255 CG GLU A 926 21.496 3.554 -25.616 1.00 24.22 C ATOM 256 CD GLU A 926 21.442 3.699 -24.107 1.00 43.24 C ATOM 257 OE1 GLU A 926 20.644 4.527 -23.620 1.00 73.31 O ATOM 258 OE2 GLU A 926 22.198 2.986 -23.415 1.00 11.34 O ATOM 0 H GLU A 926 18.670 3.100 -27.038 1.00 11.41 H new ATOM 0 HA GLU A 926 20.142 5.070 -28.364 1.00 4.23 H new ATOM 0 HB2 GLU A 926 20.976 5.521 -26.276 1.00 24.53 H new ATOM 0 HB3 GLU A 926 19.605 4.536 -25.805 1.00 24.53 H new ATOM 0 HG2 GLU A 926 21.237 2.531 -25.888 1.00 24.22 H new ATOM 0 HG3 GLU A 926 22.517 3.726 -25.957 1.00 24.22 H new ATOM 265 N MET A 927 21.566 2.129 -28.260 1.00 3.45 N ATOM 266 CA MET A 927 22.682 1.340 -28.769 1.00 33.35 C ATOM 267 C MET A 927 22.616 1.223 -30.288 1.00 21.50 C ATOM 268 O MET A 927 23.641 1.253 -30.967 1.00 42.03 O ATOM 269 CB MET A 927 22.678 -0.054 -28.137 1.00 52.22 C ATOM 270 CG MET A 927 22.541 -0.035 -26.623 1.00 40.24 C ATOM 271 SD MET A 927 23.088 -1.573 -25.857 1.00 50.42 S ATOM 272 CE MET A 927 23.868 -0.951 -24.369 1.00 52.04 C ATOM 0 H MET A 927 20.826 1.580 -27.822 1.00 3.45 H new ATOM 0 HA MET A 927 23.608 1.850 -28.502 1.00 33.35 H new ATOM 0 HB2 MET A 927 21.858 -0.634 -28.561 1.00 52.22 H new ATOM 0 HB3 MET A 927 23.602 -0.567 -28.404 1.00 52.22 H new ATOM 0 HG2 MET A 927 23.122 0.794 -26.220 1.00 40.24 H new ATOM 0 HG3 MET A 927 21.499 0.148 -26.359 1.00 40.24 H new ATOM 0 HE1 MET A 927 23.842 -1.719 -23.596 1.00 52.04 H new ATOM 0 HE2 MET A 927 24.904 -0.688 -24.584 1.00 52.04 H new ATOM 0 HE3 MET A 927 23.334 -0.067 -24.020 1.00 52.04 H new ATOM 282 N GLY A 928 21.403 1.088 -30.815 1.00 72.11 N ATOM 283 CA GLY A 928 21.227 0.968 -32.251 1.00 32.34 C ATOM 284 C GLY A 928 20.538 -0.324 -32.644 1.00 52.11 C ATOM 285 O GLY A 928 20.646 -0.771 -33.786 1.00 41.22 O ATOM 0 H GLY A 928 20.539 1.060 -30.274 1.00 72.11 H new ATOM 0 HA2 GLY A 928 20.642 1.813 -32.614 1.00 32.34 H new ATOM 0 HA3 GLY A 928 22.200 1.020 -32.739 1.00 32.34 H new ATOM 289 N PHE A 929 19.828 -0.927 -31.696 1.00 41.30 N ATOM 290 CA PHE A 929 19.121 -2.177 -31.949 1.00 13.43 C ATOM 291 C PHE A 929 17.947 -1.955 -32.899 1.00 23.04 C ATOM 292 O PHE A 929 17.847 -2.605 -33.940 1.00 54.30 O ATOM 293 CB PHE A 929 18.621 -2.779 -30.634 1.00 73.01 C ATOM 294 CG PHE A 929 19.700 -3.450 -29.833 1.00 51.22 C ATOM 295 CD1 PHE A 929 20.548 -4.372 -30.424 1.00 72.34 C ATOM 296 CD2 PHE A 929 19.866 -3.158 -28.489 1.00 10.01 C ATOM 297 CE1 PHE A 929 21.542 -4.991 -29.690 1.00 62.14 C ATOM 298 CE2 PHE A 929 20.859 -3.773 -27.750 1.00 72.20 C ATOM 299 CZ PHE A 929 21.697 -4.692 -28.351 1.00 41.21 C ATOM 0 H PHE A 929 19.727 -0.570 -30.746 1.00 41.30 H new ATOM 0 HA PHE A 929 19.818 -2.872 -32.417 1.00 13.43 H new ATOM 0 HB2 PHE A 929 18.169 -1.991 -30.032 1.00 73.01 H new ATOM 0 HB3 PHE A 929 17.836 -3.504 -30.851 1.00 73.01 H new ATOM 0 HD1 PHE A 929 20.431 -4.610 -31.471 1.00 72.34 H new ATOM 0 HD2 PHE A 929 19.212 -2.442 -28.013 1.00 10.01 H new ATOM 0 HE1 PHE A 929 22.197 -5.708 -30.163 1.00 62.14 H new ATOM 0 HE2 PHE A 929 20.980 -3.535 -26.703 1.00 72.20 H new ATOM 0 HZ PHE A 929 22.472 -5.176 -27.775 1.00 41.21 H new ATOM 309 N CYS A 930 17.063 -1.035 -32.531 1.00 52.55 N ATOM 310 CA CYS A 930 15.895 -0.727 -33.349 1.00 72.35 C ATOM 311 C CYS A 930 14.978 -1.941 -33.466 1.00 44.12 C ATOM 312 O CYS A 930 14.314 -2.134 -34.484 1.00 55.43 O ATOM 313 CB CYS A 930 16.328 -0.265 -34.741 1.00 43.32 C ATOM 314 SG CYS A 930 17.582 1.038 -34.729 1.00 23.13 S ATOM 0 H CYS A 930 17.132 -0.489 -31.672 1.00 52.55 H new ATOM 0 HA CYS A 930 15.344 0.078 -32.862 1.00 72.35 H new ATOM 0 HB2 CYS A 930 16.715 -1.122 -35.293 1.00 43.32 H new ATOM 0 HB3 CYS A 930 15.452 0.093 -35.282 1.00 43.32 H new ATOM 0 HG CYS A 930 17.885 1.360 -35.952 1.00 23.13 H new ATOM 320 N ASP A 931 14.950 -2.757 -32.418 1.00 53.13 N ATOM 321 CA ASP A 931 14.115 -3.953 -32.403 1.00 43.21 C ATOM 322 C ASP A 931 13.040 -3.852 -31.326 1.00 2.34 C ATOM 323 O ASP A 931 13.172 -4.430 -30.247 1.00 2.11 O ATOM 324 CB ASP A 931 14.974 -5.197 -32.169 1.00 40.30 C ATOM 325 CG ASP A 931 16.171 -5.257 -33.098 1.00 10.05 C ATOM 326 OD1 ASP A 931 15.978 -5.121 -34.324 1.00 43.11 O ATOM 327 OD2 ASP A 931 17.300 -5.439 -32.598 1.00 25.44 O ATOM 0 H ASP A 931 15.495 -2.612 -31.568 1.00 53.13 H new ATOM 0 HA ASP A 931 13.625 -4.036 -33.373 1.00 43.21 H new ATOM 0 HB2 ASP A 931 15.319 -5.207 -31.135 1.00 40.30 H new ATOM 0 HB3 ASP A 931 14.363 -6.089 -32.310 1.00 40.30 H new ATOM 332 N ARG A 932 11.977 -3.113 -31.625 1.00 41.43 N ATOM 333 CA ARG A 932 10.880 -2.934 -30.682 1.00 3.34 C ATOM 334 C ARG A 932 10.209 -4.268 -30.369 1.00 1.12 C ATOM 335 O ARG A 932 9.662 -4.458 -29.283 1.00 70.11 O ATOM 336 CB ARG A 932 9.851 -1.952 -31.244 1.00 15.03 C ATOM 337 CG ARG A 932 9.074 -2.497 -32.431 1.00 61.32 C ATOM 338 CD ARG A 932 7.754 -3.116 -31.997 1.00 65.12 C ATOM 339 NE ARG A 932 6.721 -2.974 -33.019 1.00 40.03 N ATOM 340 CZ ARG A 932 5.433 -3.214 -32.800 1.00 51.42 C ATOM 341 NH1 ARG A 932 5.022 -3.604 -31.602 1.00 24.53 N ATOM 342 NH2 ARG A 932 4.552 -3.062 -33.781 1.00 44.32 N ATOM 0 H ARG A 932 11.852 -2.628 -32.514 1.00 41.43 H new ATOM 0 HA ARG A 932 11.291 -2.528 -29.758 1.00 3.34 H new ATOM 0 HB2 ARG A 932 9.150 -1.682 -30.454 1.00 15.03 H new ATOM 0 HB3 ARG A 932 10.361 -1.036 -31.544 1.00 15.03 H new ATOM 0 HG2 ARG A 932 8.884 -1.693 -33.142 1.00 61.32 H new ATOM 0 HG3 ARG A 932 9.675 -3.245 -32.948 1.00 61.32 H new ATOM 0 HD2 ARG A 932 7.904 -4.173 -31.778 1.00 65.12 H new ATOM 0 HD3 ARG A 932 7.418 -2.643 -31.074 1.00 65.12 H new ATOM 0 HE ARG A 932 7.004 -2.674 -33.952 1.00 40.03 H new ATOM 0 HH11 ARG A 932 5.695 -3.721 -30.845 1.00 24.53 H new ATOM 0 HH12 ARG A 932 4.032 -3.787 -31.437 1.00 24.53 H new ATOM 0 HH21 ARG A 932 4.864 -2.761 -34.704 1.00 44.32 H new ATOM 0 HH22 ARG A 932 3.563 -3.247 -33.612 1.00 44.32 H new ATOM 356 N GLN A 933 10.255 -5.187 -31.328 1.00 4.11 N ATOM 357 CA GLN A 933 9.651 -6.502 -31.155 1.00 33.34 C ATOM 358 C GLN A 933 10.457 -7.347 -30.173 1.00 72.15 C ATOM 359 O GLN A 933 9.902 -8.172 -29.447 1.00 31.44 O ATOM 360 CB GLN A 933 9.548 -7.221 -32.501 1.00 25.32 C ATOM 361 CG GLN A 933 10.853 -7.861 -32.950 1.00 14.53 C ATOM 362 CD GLN A 933 10.821 -8.292 -34.403 1.00 4.32 C ATOM 363 OE1 GLN A 933 11.258 -7.557 -35.290 1.00 33.33 O ATOM 364 NE2 GLN A 933 10.304 -9.488 -34.654 1.00 61.45 N ATOM 0 H GLN A 933 10.704 -5.045 -32.233 1.00 4.11 H new ATOM 0 HA GLN A 933 8.649 -6.363 -30.749 1.00 33.34 H new ATOM 0 HB2 GLN A 933 8.779 -7.991 -32.434 1.00 25.32 H new ATOM 0 HB3 GLN A 933 9.222 -6.510 -33.260 1.00 25.32 H new ATOM 0 HG2 GLN A 933 11.670 -7.154 -32.802 1.00 14.53 H new ATOM 0 HG3 GLN A 933 11.063 -8.727 -32.322 1.00 14.53 H new ATOM 0 HE21 GLN A 933 9.954 -10.063 -33.888 1.00 61.45 H new ATOM 0 HE22 GLN A 933 10.257 -9.832 -35.613 1.00 61.45 H new ATOM 373 N LEU A 934 11.768 -7.136 -30.158 1.00 23.32 N ATOM 374 CA LEU A 934 12.652 -7.879 -29.266 1.00 11.14 C ATOM 375 C LEU A 934 12.545 -7.358 -27.836 1.00 32.31 C ATOM 376 O LEU A 934 12.320 -8.126 -26.901 1.00 3.52 O ATOM 377 CB LEU A 934 14.099 -7.779 -29.750 1.00 4.31 C ATOM 378 CG LEU A 934 14.610 -8.953 -30.586 1.00 42.42 C ATOM 379 CD1 LEU A 934 13.676 -9.221 -31.756 1.00 44.32 C ATOM 380 CD2 LEU A 934 16.023 -8.680 -31.081 1.00 22.12 C ATOM 0 H LEU A 934 12.243 -6.457 -30.753 1.00 23.32 H new ATOM 0 HA LEU A 934 12.343 -8.924 -29.277 1.00 11.14 H new ATOM 0 HB2 LEU A 934 14.202 -6.868 -30.339 1.00 4.31 H new ATOM 0 HB3 LEU A 934 14.746 -7.670 -28.879 1.00 4.31 H new ATOM 0 HG LEU A 934 14.633 -9.841 -29.955 1.00 42.42 H new ATOM 0 HD11 LEU A 934 14.055 -10.060 -32.340 1.00 44.32 H new ATOM 0 HD12 LEU A 934 12.681 -9.461 -31.380 1.00 44.32 H new ATOM 0 HD13 LEU A 934 13.621 -8.335 -32.388 1.00 44.32 H new ATOM 0 HD21 LEU A 934 16.371 -9.526 -31.674 1.00 22.12 H new ATOM 0 HD22 LEU A 934 16.026 -7.780 -31.696 1.00 22.12 H new ATOM 0 HD23 LEU A 934 16.686 -8.538 -30.228 1.00 22.12 H new ATOM 392 N ASN A 935 12.705 -6.049 -27.675 1.00 1.21 N ATOM 393 CA ASN A 935 12.625 -5.425 -26.359 1.00 72.00 C ATOM 394 C ASN A 935 11.312 -5.780 -25.668 1.00 31.42 C ATOM 395 O ASN A 935 11.238 -5.829 -24.439 1.00 73.22 O ATOM 396 CB ASN A 935 12.754 -3.905 -26.483 1.00 73.52 C ATOM 397 CG ASN A 935 13.832 -3.495 -27.467 1.00 61.33 C ATOM 398 OD1 ASN A 935 14.933 -4.047 -27.465 1.00 12.34 O ATOM 399 ND2 ASN A 935 13.520 -2.522 -28.315 1.00 72.24 N ATOM 0 H ASN A 935 12.891 -5.399 -28.439 1.00 1.21 H new ATOM 0 HA ASN A 935 13.448 -5.805 -25.754 1.00 72.00 H new ATOM 0 HB2 ASN A 935 11.799 -3.487 -26.800 1.00 73.52 H new ATOM 0 HB3 ASN A 935 12.979 -3.481 -25.504 1.00 73.52 H new ATOM 0 HD21 ASN A 935 14.205 -2.204 -29.000 1.00 72.24 H new ATOM 0 HD22 ASN A 935 12.595 -2.093 -28.281 1.00 72.24 H new ATOM 406 N LEU A 936 10.278 -6.028 -26.465 1.00 25.43 N ATOM 407 CA LEU A 936 8.967 -6.380 -25.930 1.00 65.44 C ATOM 408 C LEU A 936 8.950 -7.824 -25.437 1.00 2.42 C ATOM 409 O LEU A 936 8.550 -8.098 -24.306 1.00 33.35 O ATOM 410 CB LEU A 936 7.890 -6.182 -26.998 1.00 12.54 C ATOM 411 CG LEU A 936 6.442 -6.282 -26.516 1.00 51.32 C ATOM 412 CD1 LEU A 936 6.048 -7.736 -26.309 1.00 13.22 C ATOM 413 CD2 LEU A 936 6.250 -5.487 -25.233 1.00 4.03 C ATOM 0 H LEU A 936 10.322 -5.992 -27.483 1.00 25.43 H new ATOM 0 HA LEU A 936 8.758 -5.724 -25.085 1.00 65.44 H new ATOM 0 HB2 LEU A 936 8.034 -5.202 -27.453 1.00 12.54 H new ATOM 0 HB3 LEU A 936 8.043 -6.923 -27.782 1.00 12.54 H new ATOM 0 HG LEU A 936 5.794 -5.857 -27.283 1.00 51.32 H new ATOM 0 HD11 LEU A 936 5.015 -7.788 -25.966 1.00 13.22 H new ATOM 0 HD12 LEU A 936 6.145 -8.277 -27.250 1.00 13.22 H new ATOM 0 HD13 LEU A 936 6.701 -8.187 -25.562 1.00 13.22 H new ATOM 0 HD21 LEU A 936 5.214 -5.570 -24.905 1.00 4.03 H new ATOM 0 HD22 LEU A 936 6.908 -5.881 -24.459 1.00 4.03 H new ATOM 0 HD23 LEU A 936 6.490 -4.439 -25.415 1.00 4.03 H new ATOM 425 N ARG A 937 9.389 -8.741 -26.292 1.00 22.31 N ATOM 426 CA ARG A 937 9.425 -10.156 -25.942 1.00 62.23 C ATOM 427 C ARG A 937 10.457 -10.420 -24.850 1.00 31.25 C ATOM 428 O ARG A 937 10.315 -11.355 -24.059 1.00 41.45 O ATOM 429 CB ARG A 937 9.747 -11.000 -27.177 1.00 31.41 C ATOM 430 CG ARG A 937 11.233 -11.089 -27.484 1.00 31.34 C ATOM 431 CD ARG A 937 11.849 -12.348 -26.894 1.00 21.13 C ATOM 432 NE ARG A 937 11.217 -13.560 -27.409 1.00 3.13 N ATOM 433 CZ ARG A 937 11.590 -14.787 -27.062 1.00 72.03 C ATOM 434 NH1 ARG A 937 12.585 -14.964 -26.205 1.00 1.05 N ATOM 435 NH2 ARG A 937 10.966 -15.840 -27.574 1.00 32.40 N ATOM 0 H ARG A 937 9.725 -8.530 -27.232 1.00 22.31 H new ATOM 0 HA ARG A 937 8.442 -10.436 -25.564 1.00 62.23 H new ATOM 0 HB2 ARG A 937 9.354 -12.006 -27.031 1.00 31.41 H new ATOM 0 HB3 ARG A 937 9.231 -10.578 -28.039 1.00 31.41 H new ATOM 0 HG2 ARG A 937 11.384 -11.080 -28.563 1.00 31.34 H new ATOM 0 HG3 ARG A 937 11.742 -10.212 -27.084 1.00 31.34 H new ATOM 0 HD2 ARG A 937 12.915 -12.371 -27.121 1.00 21.13 H new ATOM 0 HD3 ARG A 937 11.755 -12.323 -25.808 1.00 21.13 H new ATOM 0 HE ARG A 937 10.448 -13.459 -28.071 1.00 3.13 H new ATOM 0 HH11 ARG A 937 13.067 -14.157 -25.810 1.00 1.05 H new ATOM 0 HH12 ARG A 937 12.869 -15.907 -25.941 1.00 1.05 H new ATOM 0 HH21 ARG A 937 10.200 -15.708 -28.234 1.00 32.40 H new ATOM 0 HH22 ARG A 937 11.253 -16.782 -27.307 1.00 32.40 H new ATOM 449 N LEU A 938 11.495 -9.592 -24.811 1.00 13.04 N ATOM 450 CA LEU A 938 12.551 -9.736 -23.815 1.00 3.41 C ATOM 451 C LEU A 938 12.064 -9.299 -22.437 1.00 41.21 C ATOM 452 O LEU A 938 12.243 -10.012 -21.449 1.00 2.44 O ATOM 453 CB LEU A 938 13.776 -8.913 -24.220 1.00 31.21 C ATOM 454 CG LEU A 938 14.952 -9.701 -24.798 1.00 2.13 C ATOM 455 CD1 LEU A 938 15.389 -10.792 -23.833 1.00 61.40 C ATOM 456 CD2 LEU A 938 14.583 -10.297 -26.148 1.00 51.13 C ATOM 0 H LEU A 938 11.628 -8.814 -25.457 1.00 13.04 H new ATOM 0 HA LEU A 938 12.828 -10.789 -23.765 1.00 3.41 H new ATOM 0 HB2 LEU A 938 13.464 -8.172 -24.956 1.00 31.21 H new ATOM 0 HB3 LEU A 938 14.126 -8.365 -23.345 1.00 31.21 H new ATOM 0 HG LEU A 938 15.787 -9.016 -24.942 1.00 2.13 H new ATOM 0 HD11 LEU A 938 16.227 -11.342 -24.261 1.00 61.40 H new ATOM 0 HD12 LEU A 938 15.695 -10.341 -22.889 1.00 61.40 H new ATOM 0 HD13 LEU A 938 14.558 -11.475 -23.656 1.00 61.40 H new ATOM 0 HD21 LEU A 938 15.432 -10.854 -26.544 1.00 51.13 H new ATOM 0 HD22 LEU A 938 13.732 -10.968 -26.029 1.00 51.13 H new ATOM 0 HD23 LEU A 938 14.320 -9.497 -26.839 1.00 51.13 H new ATOM 468 N LEU A 939 11.446 -8.124 -22.379 1.00 32.51 N ATOM 469 CA LEU A 939 10.930 -7.593 -21.122 1.00 51.12 C ATOM 470 C LEU A 939 10.046 -8.618 -20.419 1.00 64.30 C ATOM 471 O LEU A 939 10.192 -8.862 -19.221 1.00 14.21 O ATOM 472 CB LEU A 939 10.138 -6.309 -21.376 1.00 0.14 C ATOM 473 CG LEU A 939 10.950 -5.014 -21.402 1.00 42.41 C ATOM 474 CD1 LEU A 939 10.179 -3.914 -22.116 1.00 33.33 C ATOM 475 CD2 LEU A 939 11.312 -4.582 -19.988 1.00 63.14 C ATOM 0 H LEU A 939 11.290 -7.521 -23.187 1.00 32.51 H new ATOM 0 HA LEU A 939 11.778 -7.369 -20.475 1.00 51.12 H new ATOM 0 HB2 LEU A 939 9.619 -6.408 -22.330 1.00 0.14 H new ATOM 0 HB3 LEU A 939 9.373 -6.219 -20.605 1.00 0.14 H new ATOM 0 HG LEU A 939 11.873 -5.198 -21.952 1.00 42.41 H new ATOM 0 HD11 LEU A 939 10.773 -3.000 -22.124 1.00 33.33 H new ATOM 0 HD12 LEU A 939 9.972 -4.221 -23.141 1.00 33.33 H new ATOM 0 HD13 LEU A 939 9.239 -3.731 -21.595 1.00 33.33 H new ATOM 0 HD21 LEU A 939 11.890 -3.659 -20.026 1.00 63.14 H new ATOM 0 HD22 LEU A 939 10.401 -4.416 -19.414 1.00 63.14 H new ATOM 0 HD23 LEU A 939 11.905 -5.362 -19.510 1.00 63.14 H new ATOM 487 N LYS A 940 9.131 -9.219 -21.172 1.00 42.33 N ATOM 488 CA LYS A 940 8.226 -10.221 -20.624 1.00 34.13 C ATOM 489 C LYS A 940 8.994 -11.457 -20.166 1.00 44.42 C ATOM 490 O LYS A 940 8.541 -12.194 -19.291 1.00 33.21 O ATOM 491 CB LYS A 940 7.178 -10.617 -21.666 1.00 55.43 C ATOM 492 CG LYS A 940 6.428 -9.434 -22.254 1.00 51.32 C ATOM 493 CD LYS A 940 5.198 -9.088 -21.432 1.00 31.45 C ATOM 494 CE LYS A 940 3.934 -9.669 -22.048 1.00 22.04 C ATOM 495 NZ LYS A 940 3.253 -8.692 -22.941 1.00 41.41 N ATOM 0 H LYS A 940 8.997 -9.029 -22.165 1.00 42.33 H new ATOM 0 HA LYS A 940 7.724 -9.786 -19.760 1.00 34.13 H new ATOM 0 HB2 LYS A 940 7.668 -11.163 -22.472 1.00 55.43 H new ATOM 0 HB3 LYS A 940 6.462 -11.299 -21.208 1.00 55.43 H new ATOM 0 HG2 LYS A 940 7.090 -8.569 -22.301 1.00 51.32 H new ATOM 0 HG3 LYS A 940 6.130 -9.663 -23.277 1.00 51.32 H new ATOM 0 HD2 LYS A 940 5.318 -9.469 -20.418 1.00 31.45 H new ATOM 0 HD3 LYS A 940 5.102 -8.005 -21.356 1.00 31.45 H new ATOM 0 HE2 LYS A 940 4.185 -10.565 -22.615 1.00 22.04 H new ATOM 0 HE3 LYS A 940 3.251 -9.974 -21.255 1.00 22.04 H new ATOM 0 HZ1 LYS A 940 2.397 -9.126 -23.341 1.00 41.41 H new ATOM 0 HZ2 LYS A 940 2.990 -7.847 -22.395 1.00 41.41 H new ATOM 0 HZ3 LYS A 940 3.896 -8.420 -23.712 1.00 41.41 H new ATOM 509 N LYS A 941 10.161 -11.676 -20.763 1.00 22.24 N ATOM 510 CA LYS A 941 10.995 -12.821 -20.415 1.00 43.40 C ATOM 511 C LYS A 941 11.708 -12.591 -19.086 1.00 43.43 C ATOM 512 O LYS A 941 11.747 -13.475 -18.230 1.00 45.12 O ATOM 513 CB LYS A 941 12.023 -13.083 -21.519 1.00 14.15 C ATOM 514 CG LYS A 941 12.839 -14.345 -21.302 1.00 73.51 C ATOM 515 CD LYS A 941 14.241 -14.026 -20.813 1.00 4.20 C ATOM 516 CE LYS A 941 15.170 -15.220 -20.965 1.00 24.53 C ATOM 517 NZ LYS A 941 15.631 -15.390 -22.371 1.00 34.22 N ATOM 0 H LYS A 941 10.551 -11.076 -21.490 1.00 22.24 H new ATOM 0 HA LYS A 941 10.349 -13.693 -20.314 1.00 43.40 H new ATOM 0 HB2 LYS A 941 11.506 -13.155 -22.476 1.00 14.15 H new ATOM 0 HB3 LYS A 941 12.699 -12.230 -21.585 1.00 14.15 H new ATOM 0 HG2 LYS A 941 12.336 -14.984 -20.576 1.00 73.51 H new ATOM 0 HG3 LYS A 941 12.897 -14.906 -22.234 1.00 73.51 H new ATOM 0 HD2 LYS A 941 14.639 -13.180 -21.374 1.00 4.20 H new ATOM 0 HD3 LYS A 941 14.202 -13.725 -19.766 1.00 4.20 H new ATOM 0 HE2 LYS A 941 16.034 -15.093 -20.313 1.00 24.53 H new ATOM 0 HE3 LYS A 941 14.655 -16.124 -20.640 1.00 24.53 H new ATOM 0 HZ1 LYS A 941 15.725 -16.403 -22.585 1.00 34.22 H new ATOM 0 HZ2 LYS A 941 14.938 -14.962 -23.018 1.00 34.22 H new ATOM 0 HZ3 LYS A 941 16.552 -14.924 -22.493 1.00 34.22 H new ATOM 531 N HIS A 942 12.270 -11.397 -18.920 1.00 31.30 N ATOM 532 CA HIS A 942 12.980 -11.051 -17.694 1.00 11.31 C ATOM 533 C HIS A 942 12.033 -10.418 -16.678 1.00 62.03 C ATOM 534 O HIS A 942 12.443 -10.052 -15.578 1.00 20.34 O ATOM 535 CB HIS A 942 14.132 -10.093 -18.000 1.00 21.41 C ATOM 536 CG HIS A 942 15.069 -10.601 -19.052 1.00 24.32 C ATOM 537 ND1 HIS A 942 16.001 -11.590 -18.816 1.00 31.21 N ATOM 538 CD2 HIS A 942 15.214 -10.252 -20.352 1.00 23.44 C ATOM 539 CE1 HIS A 942 16.679 -11.827 -19.925 1.00 4.55 C ATOM 540 NE2 HIS A 942 16.221 -11.028 -20.872 1.00 21.14 N ATOM 0 H HIS A 942 12.247 -10.654 -19.619 1.00 31.30 H new ATOM 0 HA HIS A 942 13.384 -11.968 -17.266 1.00 11.31 H new ATOM 0 HB2 HIS A 942 13.722 -9.136 -18.322 1.00 21.41 H new ATOM 0 HB3 HIS A 942 14.693 -9.908 -17.084 1.00 21.41 H new ATOM 0 HD1 HIS A 942 16.144 -12.064 -17.924 1.00 31.21 H new ATOM 0 HD2 HIS A 942 14.644 -9.503 -20.882 1.00 23.44 H new ATOM 0 HE1 HIS A 942 17.473 -12.551 -20.038 1.00 4.55 H new ATOM 548 N ASN A 943 10.765 -10.292 -17.057 1.00 4.31 N ATOM 549 CA ASN A 943 9.761 -9.702 -16.179 1.00 51.25 C ATOM 550 C ASN A 943 10.059 -8.227 -15.926 1.00 31.25 C ATOM 551 O ASN A 943 10.355 -7.828 -14.799 1.00 52.00 O ATOM 552 CB ASN A 943 9.706 -10.459 -14.851 1.00 3.21 C ATOM 553 CG ASN A 943 9.884 -11.954 -15.030 1.00 21.22 C ATOM 554 OD1 ASN A 943 10.993 -12.477 -14.915 1.00 51.33 O ATOM 555 ND2 ASN A 943 8.789 -12.650 -15.313 1.00 22.45 N ATOM 0 H ASN A 943 10.409 -10.590 -17.965 1.00 4.31 H new ATOM 0 HA ASN A 943 8.792 -9.779 -16.673 1.00 51.25 H new ATOM 0 HB2 ASN A 943 10.483 -10.080 -14.188 1.00 3.21 H new ATOM 0 HB3 ASN A 943 8.750 -10.265 -14.365 1.00 3.21 H new ATOM 0 HD21 ASN A 943 8.846 -13.660 -15.444 1.00 22.45 H new ATOM 0 HD22 ASN A 943 7.891 -12.175 -15.399 1.00 22.45 H new ATOM 562 N TYR A 944 9.978 -7.423 -16.980 1.00 20.13 N ATOM 563 CA TYR A 944 10.241 -5.993 -16.872 1.00 14.01 C ATOM 564 C TYR A 944 11.650 -5.736 -16.349 1.00 5.24 C ATOM 565 O TYR A 944 11.844 -4.974 -15.402 1.00 72.30 O ATOM 566 CB TYR A 944 9.214 -5.333 -15.950 1.00 1.30 C ATOM 567 CG TYR A 944 7.921 -4.970 -16.645 1.00 1.12 C ATOM 568 CD1 TYR A 944 7.252 -5.894 -17.437 1.00 70.41 C ATOM 569 CD2 TYR A 944 7.368 -3.703 -16.508 1.00 1.51 C ATOM 570 CE1 TYR A 944 6.071 -5.567 -18.074 1.00 51.23 C ATOM 571 CE2 TYR A 944 6.187 -3.367 -17.140 1.00 54.42 C ATOM 572 CZ TYR A 944 5.542 -4.302 -17.923 1.00 1.03 C ATOM 573 OH TYR A 944 4.365 -3.972 -18.555 1.00 21.34 O ATOM 0 H TYR A 944 9.732 -7.737 -17.919 1.00 20.13 H new ATOM 0 HA TYR A 944 10.158 -5.558 -17.868 1.00 14.01 H new ATOM 0 HB2 TYR A 944 8.995 -6.008 -15.122 1.00 1.30 H new ATOM 0 HB3 TYR A 944 9.651 -4.432 -15.520 1.00 1.30 H new ATOM 0 HD1 TYR A 944 7.662 -6.886 -17.557 1.00 70.41 H new ATOM 0 HD2 TYR A 944 7.870 -2.968 -15.897 1.00 1.51 H new ATOM 0 HE1 TYR A 944 5.564 -6.298 -18.687 1.00 51.23 H new ATOM 0 HE2 TYR A 944 5.771 -2.378 -17.022 1.00 54.42 H new ATOM 0 HH TYR A 944 4.130 -3.044 -18.344 1.00 21.34 H new ATOM 583 N ASN A 945 12.633 -6.377 -16.973 1.00 74.35 N ATOM 584 CA ASN A 945 14.026 -6.219 -16.572 1.00 53.00 C ATOM 585 C ASN A 945 14.869 -5.691 -17.729 1.00 14.21 C ATOM 586 O ASN A 945 15.546 -6.456 -18.416 1.00 40.42 O ATOM 587 CB ASN A 945 14.592 -7.553 -16.082 1.00 34.24 C ATOM 588 CG ASN A 945 15.497 -7.389 -14.876 1.00 70.11 C ATOM 589 OD1 ASN A 945 16.269 -6.434 -14.791 1.00 51.20 O ATOM 590 ND2 ASN A 945 15.406 -8.323 -13.937 1.00 21.33 N ATOM 0 H ASN A 945 12.490 -7.011 -17.759 1.00 74.35 H new ATOM 0 HA ASN A 945 14.063 -5.495 -15.758 1.00 53.00 H new ATOM 0 HB2 ASN A 945 13.770 -8.222 -15.828 1.00 34.24 H new ATOM 0 HB3 ASN A 945 15.150 -8.027 -16.890 1.00 34.24 H new ATOM 0 HD21 ASN A 945 15.990 -8.266 -13.103 1.00 21.33 H new ATOM 0 HD22 ASN A 945 14.752 -9.097 -14.050 1.00 21.33 H new ATOM 597 N ILE A 946 14.822 -4.379 -17.937 1.00 73.32 N ATOM 598 CA ILE A 946 15.582 -3.749 -19.009 1.00 61.02 C ATOM 599 C ILE A 946 17.055 -4.136 -18.939 1.00 64.03 C ATOM 600 O ILE A 946 17.702 -4.349 -19.966 1.00 2.13 O ATOM 601 CB ILE A 946 15.463 -2.214 -18.957 1.00 31.41 C ATOM 602 CG1 ILE A 946 16.304 -1.578 -20.065 1.00 2.30 C ATOM 603 CG2 ILE A 946 15.894 -1.696 -17.593 1.00 12.00 C ATOM 604 CD1 ILE A 946 15.906 -2.019 -21.456 1.00 34.33 C ATOM 0 H ILE A 946 14.266 -3.732 -17.377 1.00 73.32 H new ATOM 0 HA ILE A 946 15.159 -4.106 -19.948 1.00 61.02 H new ATOM 0 HB ILE A 946 14.420 -1.939 -19.116 1.00 31.41 H new ATOM 0 HG12 ILE A 946 16.218 -0.493 -19.998 1.00 2.30 H new ATOM 0 HG13 ILE A 946 17.353 -1.825 -19.901 1.00 2.30 H new ATOM 0 HG21 ILE A 946 15.805 -0.610 -17.571 1.00 12.00 H new ATOM 0 HG22 ILE A 946 15.256 -2.128 -16.822 1.00 12.00 H new ATOM 0 HG23 ILE A 946 16.930 -1.978 -17.407 1.00 12.00 H new ATOM 0 HD11 ILE A 946 16.545 -1.528 -22.190 1.00 34.33 H new ATOM 0 HD12 ILE A 946 16.019 -3.100 -21.541 1.00 34.33 H new ATOM 0 HD13 ILE A 946 14.867 -1.748 -21.640 1.00 34.33 H new ATOM 616 N LEU A 947 17.580 -4.227 -17.722 1.00 61.33 N ATOM 617 CA LEU A 947 18.978 -4.591 -17.517 1.00 71.11 C ATOM 618 C LEU A 947 19.313 -5.894 -18.236 1.00 74.11 C ATOM 619 O LEU A 947 20.280 -5.964 -18.994 1.00 74.40 O ATOM 620 CB LEU A 947 19.275 -4.729 -16.023 1.00 5.20 C ATOM 621 CG LEU A 947 18.843 -3.556 -15.142 1.00 24.33 C ATOM 622 CD1 LEU A 947 19.231 -3.806 -13.693 1.00 23.33 C ATOM 623 CD2 LEU A 947 19.457 -2.257 -15.644 1.00 22.44 C ATOM 0 H LEU A 947 17.059 -4.054 -16.862 1.00 61.33 H new ATOM 0 HA LEU A 947 19.599 -3.798 -17.933 1.00 71.11 H new ATOM 0 HB2 LEU A 947 18.785 -5.632 -15.657 1.00 5.20 H new ATOM 0 HB3 LEU A 947 20.348 -4.875 -15.898 1.00 5.20 H new ATOM 0 HG LEU A 947 17.758 -3.466 -15.196 1.00 24.33 H new ATOM 0 HD11 LEU A 947 18.916 -2.961 -13.081 1.00 23.33 H new ATOM 0 HD12 LEU A 947 18.744 -4.714 -13.337 1.00 23.33 H new ATOM 0 HD13 LEU A 947 20.312 -3.923 -13.621 1.00 23.33 H new ATOM 0 HD21 LEU A 947 19.139 -1.433 -15.005 1.00 22.44 H new ATOM 0 HD22 LEU A 947 20.544 -2.335 -15.620 1.00 22.44 H new ATOM 0 HD23 LEU A 947 19.129 -2.071 -16.667 1.00 22.44 H new ATOM 635 N GLN A 948 18.505 -6.922 -17.994 1.00 43.20 N ATOM 636 CA GLN A 948 18.716 -8.222 -18.620 1.00 13.20 C ATOM 637 C GLN A 948 18.334 -8.183 -20.096 1.00 72.40 C ATOM 638 O GLN A 948 18.935 -8.871 -20.922 1.00 0.24 O ATOM 639 CB GLN A 948 17.901 -9.297 -17.898 1.00 43.21 C ATOM 640 CG GLN A 948 18.223 -9.411 -16.417 1.00 33.13 C ATOM 641 CD GLN A 948 18.308 -10.850 -15.947 1.00 72.14 C ATOM 642 OE1 GLN A 948 17.580 -11.265 -15.045 1.00 2.13 O ATOM 643 NE2 GLN A 948 19.199 -11.621 -16.559 1.00 44.22 N ATOM 0 H GLN A 948 17.699 -6.880 -17.370 1.00 43.20 H new ATOM 0 HA GLN A 948 19.775 -8.467 -18.544 1.00 13.20 H new ATOM 0 HB2 GLN A 948 16.840 -9.077 -18.015 1.00 43.21 H new ATOM 0 HB3 GLN A 948 18.081 -10.260 -18.376 1.00 43.21 H new ATOM 0 HG2 GLN A 948 19.170 -8.910 -16.215 1.00 33.13 H new ATOM 0 HG3 GLN A 948 17.458 -8.889 -15.842 1.00 33.13 H new ATOM 0 HE21 GLN A 948 19.782 -11.236 -17.302 1.00 44.22 H new ATOM 0 HE22 GLN A 948 19.300 -12.599 -16.286 1.00 44.22 H new ATOM 652 N VAL A 949 17.330 -7.375 -20.422 1.00 31.23 N ATOM 653 CA VAL A 949 16.868 -7.247 -21.799 1.00 11.54 C ATOM 654 C VAL A 949 17.985 -6.749 -22.709 1.00 22.31 C ATOM 655 O VAL A 949 18.346 -7.408 -23.684 1.00 73.33 O ATOM 656 CB VAL A 949 15.670 -6.283 -21.901 1.00 63.41 C ATOM 657 CG1 VAL A 949 15.274 -6.077 -23.355 1.00 40.30 C ATOM 658 CG2 VAL A 949 14.495 -6.807 -21.089 1.00 3.31 C ATOM 0 H VAL A 949 16.821 -6.799 -19.751 1.00 31.23 H new ATOM 0 HA VAL A 949 16.555 -8.240 -22.122 1.00 11.54 H new ATOM 0 HB VAL A 949 15.965 -5.318 -21.489 1.00 63.41 H new ATOM 0 HG11 VAL A 949 14.427 -5.394 -23.408 1.00 40.30 H new ATOM 0 HG12 VAL A 949 16.115 -5.655 -23.905 1.00 40.30 H new ATOM 0 HG13 VAL A 949 14.996 -7.034 -23.796 1.00 40.30 H new ATOM 0 HG21 VAL A 949 13.658 -6.114 -21.172 1.00 3.31 H new ATOM 0 HG22 VAL A 949 14.197 -7.784 -21.469 1.00 3.31 H new ATOM 0 HG23 VAL A 949 14.788 -6.899 -20.043 1.00 3.31 H new ATOM 668 N VAL A 950 18.531 -5.582 -22.383 1.00 40.23 N ATOM 669 CA VAL A 950 19.609 -4.996 -23.171 1.00 4.14 C ATOM 670 C VAL A 950 20.781 -5.963 -23.303 1.00 52.52 C ATOM 671 O VAL A 950 21.250 -6.240 -24.407 1.00 71.25 O ATOM 672 CB VAL A 950 20.111 -3.681 -22.544 1.00 62.33 C ATOM 673 CG1 VAL A 950 21.279 -3.121 -23.342 1.00 21.31 C ATOM 674 CG2 VAL A 950 18.980 -2.668 -22.456 1.00 42.34 C ATOM 0 H VAL A 950 18.245 -5.024 -21.579 1.00 40.23 H new ATOM 0 HA VAL A 950 19.201 -4.786 -24.160 1.00 4.14 H new ATOM 0 HB VAL A 950 20.460 -3.890 -21.533 1.00 62.33 H new ATOM 0 HG11 VAL A 950 21.620 -2.192 -22.885 1.00 21.31 H new ATOM 0 HG12 VAL A 950 22.095 -3.844 -23.348 1.00 21.31 H new ATOM 0 HG13 VAL A 950 20.960 -2.925 -24.366 1.00 21.31 H new ATOM 0 HG21 VAL A 950 19.352 -1.745 -22.011 1.00 42.34 H new ATOM 0 HG22 VAL A 950 18.599 -2.461 -23.456 1.00 42.34 H new ATOM 0 HG23 VAL A 950 18.178 -3.071 -21.838 1.00 42.34 H new ATOM 684 N THR A 951 21.250 -6.474 -22.169 1.00 62.24 N ATOM 685 CA THR A 951 22.368 -7.410 -22.158 1.00 15.21 C ATOM 686 C THR A 951 22.096 -8.602 -23.069 1.00 0.43 C ATOM 687 O THR A 951 23.013 -9.145 -23.684 1.00 33.23 O ATOM 688 CB THR A 951 22.657 -7.922 -20.734 1.00 41.42 C ATOM 689 OG1 THR A 951 23.029 -6.829 -19.887 1.00 1.20 O ATOM 690 CG2 THR A 951 23.768 -8.960 -20.748 1.00 65.32 C ATOM 0 H THR A 951 20.873 -6.256 -21.247 1.00 62.24 H new ATOM 0 HA THR A 951 23.239 -6.867 -22.525 1.00 15.21 H new ATOM 0 HB THR A 951 21.751 -8.388 -20.348 1.00 41.42 H new ATOM 0 HG1 THR A 951 22.223 -6.422 -19.505 1.00 1.20 H new ATOM 0 HG21 THR A 951 23.955 -9.307 -19.732 1.00 65.32 H new ATOM 0 HG22 THR A 951 23.470 -9.804 -21.370 1.00 65.32 H new ATOM 0 HG23 THR A 951 24.677 -8.514 -21.152 1.00 65.32 H new ATOM 698 N GLU A 952 20.831 -9.002 -23.151 1.00 20.14 N ATOM 699 CA GLU A 952 20.440 -10.131 -23.987 1.00 43.53 C ATOM 700 C GLU A 952 20.655 -9.813 -25.464 1.00 54.54 C ATOM 701 O GLU A 952 21.397 -10.508 -26.160 1.00 15.34 O ATOM 702 CB GLU A 952 18.975 -10.494 -23.740 1.00 32.20 C ATOM 703 CG GLU A 952 18.645 -11.942 -24.060 1.00 34.41 C ATOM 704 CD GLU A 952 18.794 -12.854 -22.857 1.00 73.15 C ATOM 705 OE1 GLU A 952 19.267 -12.377 -21.805 1.00 51.32 O ATOM 706 OE2 GLU A 952 18.436 -14.046 -22.969 1.00 44.44 O ATOM 0 H GLU A 952 20.060 -8.561 -22.649 1.00 20.14 H new ATOM 0 HA GLU A 952 21.067 -10.982 -23.721 1.00 43.53 H new ATOM 0 HB2 GLU A 952 18.732 -10.297 -22.696 1.00 32.20 H new ATOM 0 HB3 GLU A 952 18.342 -9.844 -24.343 1.00 32.20 H new ATOM 0 HG2 GLU A 952 17.623 -12.004 -24.434 1.00 34.41 H new ATOM 0 HG3 GLU A 952 19.298 -12.292 -24.859 1.00 34.41 H new ATOM 713 N LEU A 953 19.999 -8.758 -25.937 1.00 65.13 N ATOM 714 CA LEU A 953 20.117 -8.347 -27.332 1.00 52.10 C ATOM 715 C LEU A 953 21.580 -8.192 -27.733 1.00 4.43 C ATOM 716 O LEU A 953 21.975 -8.561 -28.840 1.00 12.04 O ATOM 717 CB LEU A 953 19.371 -7.031 -27.561 1.00 3.13 C ATOM 718 CG LEU A 953 17.883 -7.151 -27.892 1.00 23.23 C ATOM 719 CD1 LEU A 953 17.196 -8.100 -26.922 1.00 72.02 C ATOM 720 CD2 LEU A 953 17.218 -5.783 -27.863 1.00 43.25 C ATOM 0 H LEU A 953 19.381 -8.172 -25.375 1.00 65.13 H new ATOM 0 HA LEU A 953 19.670 -9.124 -27.953 1.00 52.10 H new ATOM 0 HB2 LEU A 953 19.475 -6.417 -26.666 1.00 3.13 H new ATOM 0 HB3 LEU A 953 19.861 -6.495 -28.374 1.00 3.13 H new ATOM 0 HG LEU A 953 17.786 -7.559 -28.898 1.00 23.23 H new ATOM 0 HD11 LEU A 953 16.138 -8.173 -27.173 1.00 72.02 H new ATOM 0 HD12 LEU A 953 17.655 -9.086 -26.992 1.00 72.02 H new ATOM 0 HD13 LEU A 953 17.303 -7.721 -25.905 1.00 72.02 H new ATOM 0 HD21 LEU A 953 16.159 -5.888 -28.101 1.00 43.25 H new ATOM 0 HD22 LEU A 953 17.325 -5.347 -26.870 1.00 43.25 H new ATOM 0 HD23 LEU A 953 17.692 -5.132 -28.598 1.00 43.25 H new ATOM 732 N LEU A 954 22.382 -7.645 -26.825 1.00 71.12 N ATOM 733 CA LEU A 954 23.804 -7.443 -27.083 1.00 15.05 C ATOM 734 C LEU A 954 24.513 -8.776 -27.295 1.00 63.24 C ATOM 735 O LEU A 954 25.066 -9.032 -28.365 1.00 53.41 O ATOM 736 CB LEU A 954 24.450 -6.688 -25.920 1.00 1.11 C ATOM 737 CG LEU A 954 24.328 -5.164 -25.959 1.00 23.23 C ATOM 738 CD1 LEU A 954 24.960 -4.547 -24.721 1.00 12.53 C ATOM 739 CD2 LEU A 954 24.972 -4.610 -27.221 1.00 52.42 C ATOM 0 H LEU A 954 22.072 -7.334 -25.904 1.00 71.12 H new ATOM 0 HA LEU A 954 23.903 -6.851 -27.993 1.00 15.05 H new ATOM 0 HB2 LEU A 954 24.006 -7.044 -24.990 1.00 1.11 H new ATOM 0 HB3 LEU A 954 25.508 -6.947 -25.888 1.00 1.11 H new ATOM 0 HG LEU A 954 23.270 -4.903 -25.971 1.00 23.23 H new ATOM 0 HD11 LEU A 954 24.864 -3.462 -24.766 1.00 12.53 H new ATOM 0 HD12 LEU A 954 24.454 -4.920 -23.830 1.00 12.53 H new ATOM 0 HD13 LEU A 954 26.015 -4.816 -24.679 1.00 12.53 H new ATOM 0 HD21 LEU A 954 24.876 -3.524 -27.232 1.00 52.42 H new ATOM 0 HD22 LEU A 954 26.028 -4.881 -27.240 1.00 52.42 H new ATOM 0 HD23 LEU A 954 24.475 -5.027 -28.097 1.00 52.42 H new ATOM 751 N GLN A 955 24.492 -9.622 -26.271 1.00 31.43 N ATOM 752 CA GLN A 955 25.132 -10.930 -26.347 1.00 24.10 C ATOM 753 C GLN A 955 24.620 -11.718 -27.548 1.00 42.12 C ATOM 754 O GLN A 955 25.386 -12.405 -28.225 1.00 73.44 O ATOM 755 CB GLN A 955 24.883 -11.719 -25.061 1.00 21.34 C ATOM 756 CG GLN A 955 25.527 -11.098 -23.831 1.00 61.55 C ATOM 757 CD GLN A 955 25.327 -11.935 -22.583 1.00 4.53 C ATOM 758 OE1 GLN A 955 24.105 -11.942 -22.064 1.00 65.23 O flip ATOM 759 NE2 GLN A 955 26.261 -12.567 -22.089 1.00 0.41 N flip ATOM 0 H GLN A 955 24.039 -9.425 -25.379 1.00 31.43 H new ATOM 0 HA GLN A 955 26.204 -10.775 -26.468 1.00 24.10 H new ATOM 0 HB2 GLN A 955 23.809 -11.800 -24.897 1.00 21.34 H new ATOM 0 HB3 GLN A 955 25.263 -12.733 -25.187 1.00 21.34 H new ATOM 0 HG2 GLN A 955 26.594 -10.969 -24.010 1.00 61.55 H new ATOM 0 HG3 GLN A 955 25.109 -10.105 -23.669 1.00 61.55 H new ATOM 0 HE21 GLN A 955 27.184 -12.533 -22.521 1.00 0.41 H new ATOM 0 HE22 GLN A 955 26.111 -13.124 -21.248 1.00 0.41 H new ATOM 768 N LEU A 956 23.321 -11.614 -27.807 1.00 44.13 N ATOM 769 CA LEU A 956 22.706 -12.317 -28.927 1.00 70.15 C ATOM 770 C LEU A 956 23.466 -12.050 -30.222 1.00 45.33 C ATOM 771 O LEU A 956 23.661 -12.951 -31.037 1.00 24.05 O ATOM 772 CB LEU A 956 21.245 -11.890 -29.083 1.00 4.11 C ATOM 773 CG LEU A 956 20.288 -12.954 -29.621 1.00 24.30 C ATOM 774 CD1 LEU A 956 18.906 -12.363 -29.848 1.00 71.05 C ATOM 775 CD2 LEU A 956 20.831 -13.557 -30.908 1.00 70.54 C ATOM 0 H LEU A 956 22.674 -11.050 -27.257 1.00 44.13 H new ATOM 0 HA LEU A 956 22.746 -13.386 -28.718 1.00 70.15 H new ATOM 0 HB2 LEU A 956 20.879 -11.559 -28.111 1.00 4.11 H new ATOM 0 HB3 LEU A 956 21.209 -11.028 -29.749 1.00 4.11 H new ATOM 0 HG LEU A 956 20.203 -13.748 -28.879 1.00 24.30 H new ATOM 0 HD11 LEU A 956 18.239 -13.135 -30.231 1.00 71.05 H new ATOM 0 HD12 LEU A 956 18.515 -11.980 -28.905 1.00 71.05 H new ATOM 0 HD13 LEU A 956 18.972 -11.550 -30.571 1.00 71.05 H new ATOM 0 HD21 LEU A 956 20.137 -14.312 -31.277 1.00 70.54 H new ATOM 0 HD22 LEU A 956 20.946 -12.773 -31.657 1.00 70.54 H new ATOM 0 HD23 LEU A 956 21.799 -14.018 -30.714 1.00 70.54 H new ATOM 787 N ASN A 957 23.895 -10.805 -30.404 1.00 45.03 N ATOM 788 CA ASN A 957 24.637 -10.419 -31.600 1.00 34.04 C ATOM 789 C ASN A 957 25.961 -11.172 -31.685 1.00 52.04 C ATOM 790 O ASN A 957 26.400 -11.553 -32.769 1.00 63.42 O ATOM 791 CB ASN A 957 24.894 -8.911 -31.601 1.00 13.22 C ATOM 792 CG ASN A 957 25.074 -8.356 -33.001 1.00 33.13 C ATOM 793 OD1 ASN A 957 26.134 -8.506 -33.608 1.00 72.54 O ATOM 794 ND2 ASN A 957 24.036 -7.710 -33.519 1.00 74.21 N ATOM 0 H ASN A 957 23.742 -10.047 -29.739 1.00 45.03 H new ATOM 0 HA ASN A 957 24.035 -10.679 -32.471 1.00 34.04 H new ATOM 0 HB2 ASN A 957 24.061 -8.403 -31.116 1.00 13.22 H new ATOM 0 HB3 ASN A 957 25.785 -8.697 -31.011 1.00 13.22 H new ATOM 0 HD21 ASN A 957 24.098 -7.314 -34.457 1.00 74.21 H new ATOM 0 HD22 ASN A 957 23.176 -7.610 -32.979 1.00 74.21 H new ATOM 801 N ASN A 958 26.591 -11.382 -30.534 1.00 62.54 N ATOM 802 CA ASN A 958 27.865 -12.090 -30.479 1.00 43.11 C ATOM 803 C ASN A 958 27.675 -13.577 -30.764 1.00 12.35 C ATOM 804 O ASN A 958 28.539 -14.221 -31.355 1.00 63.43 O ATOM 805 CB ASN A 958 28.518 -11.901 -29.108 1.00 61.03 C ATOM 806 CG ASN A 958 29.387 -10.660 -29.048 1.00 3.20 C ATOM 807 OD1 ASN A 958 29.649 -10.022 -30.068 1.00 10.53 O ATOM 808 ND2 ASN A 958 29.840 -10.312 -27.849 1.00 34.12 N ATOM 0 H ASN A 958 26.241 -11.072 -29.627 1.00 62.54 H new ATOM 0 HA ASN A 958 28.517 -11.672 -31.246 1.00 43.11 H new ATOM 0 HB2 ASN A 958 27.742 -11.835 -28.345 1.00 61.03 H new ATOM 0 HB3 ASN A 958 29.123 -12.777 -28.873 1.00 61.03 H new ATOM 0 HD21 ASN A 958 30.430 -9.486 -27.747 1.00 34.12 H new ATOM 0 HD22 ASN A 958 29.598 -10.870 -27.030 1.00 34.12 H new ATOM 815 N ASN A 959 26.536 -14.114 -30.338 1.00 1.22 N ATOM 816 CA ASN A 959 26.231 -15.525 -30.547 1.00 4.34 C ATOM 817 C ASN A 959 27.263 -16.412 -29.857 1.00 3.12 C ATOM 818 O ASN A 959 27.912 -17.239 -30.497 1.00 35.40 O ATOM 819 CB ASN A 959 26.188 -15.842 -32.043 1.00 32.54 C ATOM 820 CG ASN A 959 25.329 -17.054 -32.352 1.00 11.54 C ATOM 821 OD1 ASN A 959 24.177 -17.136 -31.926 1.00 74.02 O ATOM 822 ND2 ASN A 959 25.888 -18.001 -33.095 1.00 50.15 N ATOM 0 H ASN A 959 25.809 -13.594 -29.846 1.00 1.22 H new ATOM 0 HA ASN A 959 25.253 -15.729 -30.111 1.00 4.34 H new ATOM 0 HB2 ASN A 959 25.801 -14.978 -32.584 1.00 32.54 H new ATOM 0 HB3 ASN A 959 27.202 -16.017 -32.404 1.00 32.54 H new ATOM 0 HD21 ASN A 959 25.359 -18.840 -33.335 1.00 50.15 H new ATOM 0 HD22 ASN A 959 26.846 -17.890 -33.426 1.00 50.15 H new TER 829 ASN A 959