USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 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 Set 1.1: A 917 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 912 SER OG : rot 180:sc= 0 USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 916 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 921 MET CE :methyl 144:sc= -0.759 (180deg=-3.26!) USER MOD Single : A 923 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.22) USER MOD Single : A 927 MET CE :methyl -155:sc= -2.34 (180deg=-3.45!) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= -0.095 K(o=-0.095,f=-0.67) USER MOD Single : A 935 ASN : amide:sc= -6.93! C(o=-6.9!,f=-8.1!) USER MOD Single : A 940 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0369) USER MOD Single : A 941 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 942 HIS : no HE2:sc= -4.2 K(o=-4.2,f=-6.3!) USER MOD Single : A 943 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 945 ASN :FLIP amide:sc= -0.0774 F(o=-1.2,f=-0.077) USER MOD Single : A 948 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.056) USER MOD Single : A 951 THR OG1 : rot 84:sc= 0.934 USER MOD Single : A 955 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 957 ASN : amide:sc= -0.0154 K(o=-0.015,f=-1.2) USER MOD Single : A 958 ASN : amide:sc= -0.0349 K(o=-0.035,f=-0.65) USER MOD Single : A 959 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 -1.222 -0.200 -1.607 1.00 21.34 N ATOM 2 CA GLY A 908 -1.184 0.227 -2.993 1.00 11.11 C ATOM 3 C GLY A 908 0.184 0.044 -3.619 1.00 2.31 C ATOM 4 O GLY A 908 1.166 -0.259 -2.940 1.00 14.10 O ATOM 0 HA2 GLY A 908 -1.920 -0.338 -3.564 1.00 11.11 H new ATOM 0 HA3 GLY A 908 -1.471 1.277 -3.054 1.00 11.11 H new ATOM 8 N PRO A 909 0.262 0.229 -4.945 1.00 70.11 N ATOM 9 CA PRO A 909 1.515 0.086 -5.692 1.00 42.41 C ATOM 10 C PRO A 909 2.506 1.202 -5.380 1.00 3.51 C ATOM 11 O PRO A 909 2.226 2.087 -4.569 1.00 62.42 O ATOM 12 CB PRO A 909 1.068 0.162 -7.154 1.00 15.31 C ATOM 13 CG PRO A 909 -0.203 0.939 -7.121 1.00 52.10 C ATOM 14 CD PRO A 909 -0.867 0.592 -5.818 1.00 35.54 C ATOM 0 HA PRO A 909 2.037 -0.837 -5.439 1.00 42.41 H new ATOM 0 HB2 PRO A 909 1.818 0.656 -7.772 1.00 15.31 H new ATOM 0 HB3 PRO A 909 0.914 -0.832 -7.573 1.00 15.31 H new ATOM 0 HG2 PRO A 909 -0.008 2.009 -7.187 1.00 52.10 H new ATOM 0 HG3 PRO A 909 -0.841 0.679 -7.966 1.00 52.10 H new ATOM 0 HD2 PRO A 909 -1.430 1.435 -5.417 1.00 35.54 H new ATOM 0 HD3 PRO A 909 -1.568 -0.234 -5.932 1.00 35.54 H new ATOM 22 N LEU A 910 3.665 1.157 -6.028 1.00 20.43 N ATOM 23 CA LEU A 910 4.698 2.165 -5.820 1.00 5.04 C ATOM 24 C LEU A 910 5.164 2.750 -7.149 1.00 51.20 C ATOM 25 O LEU A 910 6.288 3.237 -7.265 1.00 53.21 O ATOM 26 CB LEU A 910 5.887 1.559 -5.072 1.00 63.41 C ATOM 27 CG LEU A 910 5.637 1.173 -3.614 1.00 3.13 C ATOM 28 CD1 LEU A 910 5.088 -0.242 -3.522 1.00 62.22 C ATOM 29 CD2 LEU A 910 6.917 1.304 -2.801 1.00 11.25 C ATOM 0 H LEU A 910 3.913 0.433 -6.702 1.00 20.43 H new ATOM 0 HA LEU A 910 4.271 2.969 -5.220 1.00 5.04 H new ATOM 0 HB2 LEU A 910 6.215 0.670 -5.611 1.00 63.41 H new ATOM 0 HB3 LEU A 910 6.711 2.272 -5.102 1.00 63.41 H new ATOM 0 HG LEU A 910 4.895 1.856 -3.200 1.00 3.13 H new ATOM 0 HD11 LEU A 910 4.917 -0.498 -2.477 1.00 62.22 H new ATOM 0 HD12 LEU A 910 4.148 -0.304 -4.070 1.00 62.22 H new ATOM 0 HD13 LEU A 910 5.806 -0.940 -3.954 1.00 62.22 H new ATOM 0 HD21 LEU A 910 6.721 1.025 -1.766 1.00 11.25 H new ATOM 0 HD22 LEU A 910 7.680 0.645 -3.215 1.00 11.25 H new ATOM 0 HD23 LEU A 910 7.268 2.335 -2.839 1.00 11.25 H new ATOM 41 N GLY A 911 4.290 2.701 -8.150 1.00 62.51 N ATOM 42 CA GLY A 911 4.629 3.231 -9.458 1.00 23.13 C ATOM 43 C GLY A 911 4.391 2.229 -10.570 1.00 21.45 C ATOM 44 O GLY A 911 5.265 1.421 -10.885 1.00 4.44 O ATOM 0 H GLY A 911 3.353 2.304 -8.078 1.00 62.51 H new ATOM 0 HA2 GLY A 911 4.038 4.127 -9.648 1.00 23.13 H new ATOM 0 HA3 GLY A 911 5.676 3.533 -9.464 1.00 23.13 H new ATOM 48 N SER A 912 3.204 2.278 -11.165 1.00 14.33 N ATOM 49 CA SER A 912 2.851 1.364 -12.244 1.00 73.32 C ATOM 50 C SER A 912 2.404 2.133 -13.484 1.00 33.14 C ATOM 51 O SER A 912 1.284 2.641 -13.542 1.00 2.31 O ATOM 52 CB SER A 912 1.741 0.412 -11.793 1.00 0.23 C ATOM 53 OG SER A 912 0.970 -0.032 -12.896 1.00 21.03 O ATOM 0 H SER A 912 2.470 2.942 -10.918 1.00 14.33 H new ATOM 0 HA SER A 912 3.737 0.783 -12.498 1.00 73.32 H new ATOM 0 HB2 SER A 912 2.179 -0.446 -11.282 1.00 0.23 H new ATOM 0 HB3 SER A 912 1.096 0.916 -11.074 1.00 0.23 H new ATOM 0 HG SER A 912 0.269 -0.640 -12.581 1.00 21.03 H new ATOM 59 N SER A 913 3.288 2.214 -14.473 1.00 34.20 N ATOM 60 CA SER A 913 2.987 2.924 -15.711 1.00 31.05 C ATOM 61 C SER A 913 3.656 2.246 -16.902 1.00 73.33 C ATOM 62 O SER A 913 4.786 1.770 -16.805 1.00 5.52 O ATOM 63 CB SER A 913 3.448 4.380 -15.613 1.00 33.50 C ATOM 64 OG SER A 913 2.635 5.226 -16.407 1.00 40.13 O ATOM 0 H SER A 913 4.218 1.797 -14.441 1.00 34.20 H new ATOM 0 HA SER A 913 1.908 2.901 -15.861 1.00 31.05 H new ATOM 0 HB2 SER A 913 3.413 4.707 -14.574 1.00 33.50 H new ATOM 0 HB3 SER A 913 4.486 4.459 -15.937 1.00 33.50 H new ATOM 0 HG SER A 913 2.949 6.151 -16.326 1.00 40.13 H new ATOM 70 N GLU A 914 2.947 2.205 -18.027 1.00 3.45 N ATOM 71 CA GLU A 914 3.472 1.585 -19.237 1.00 73.33 C ATOM 72 C GLU A 914 4.498 2.490 -19.912 1.00 52.34 C ATOM 73 O GLU A 914 5.387 2.018 -20.621 1.00 41.40 O ATOM 74 CB GLU A 914 2.333 1.271 -20.211 1.00 4.15 C ATOM 75 CG GLU A 914 2.774 0.473 -21.426 1.00 22.53 C ATOM 76 CD GLU A 914 1.610 -0.168 -22.157 1.00 0.24 C ATOM 77 OE1 GLU A 914 1.001 0.511 -23.010 1.00 61.54 O ATOM 78 OE2 GLU A 914 1.308 -1.346 -21.875 1.00 72.10 O ATOM 0 H GLU A 914 2.009 2.594 -18.124 1.00 3.45 H new ATOM 0 HA GLU A 914 3.965 0.655 -18.953 1.00 73.33 H new ATOM 0 HB2 GLU A 914 1.558 0.715 -19.683 1.00 4.15 H new ATOM 0 HB3 GLU A 914 1.883 2.206 -20.545 1.00 4.15 H new ATOM 0 HG2 GLU A 914 3.312 1.129 -22.111 1.00 22.53 H new ATOM 0 HG3 GLU A 914 3.473 -0.303 -21.113 1.00 22.53 H new ATOM 85 N ASP A 915 4.367 3.793 -19.688 1.00 32.05 N ATOM 86 CA ASP A 915 5.282 4.766 -20.273 1.00 21.30 C ATOM 87 C ASP A 915 6.731 4.401 -19.967 1.00 4.13 C ATOM 88 O ASP A 915 7.607 4.529 -20.822 1.00 11.20 O ATOM 89 CB ASP A 915 4.974 6.169 -19.747 1.00 60.51 C ATOM 90 CG ASP A 915 5.472 7.258 -20.677 1.00 31.43 C ATOM 91 OD1 ASP A 915 6.049 6.919 -21.731 1.00 54.12 O ATOM 92 OD2 ASP A 915 5.286 8.449 -20.349 1.00 74.45 O ATOM 0 H ASP A 915 3.636 4.200 -19.105 1.00 32.05 H new ATOM 0 HA ASP A 915 5.144 4.754 -21.354 1.00 21.30 H new ATOM 0 HB2 ASP A 915 3.898 6.275 -19.612 1.00 60.51 H new ATOM 0 HB3 ASP A 915 5.433 6.295 -18.766 1.00 60.51 H new ATOM 97 N GLN A 916 6.976 3.948 -18.741 1.00 71.35 N ATOM 98 CA GLN A 916 8.320 3.567 -18.323 1.00 34.44 C ATOM 99 C GLN A 916 8.941 2.586 -19.312 1.00 34.01 C ATOM 100 O GLN A 916 10.059 2.790 -19.787 1.00 35.24 O ATOM 101 CB GLN A 916 8.284 2.946 -16.925 1.00 60.20 C ATOM 102 CG GLN A 916 9.661 2.745 -16.313 1.00 41.22 C ATOM 103 CD GLN A 916 10.468 4.028 -16.258 1.00 73.44 C ATOM 104 OE1 GLN A 916 10.225 4.891 -15.415 1.00 44.51 O ATOM 105 NE2 GLN A 916 11.434 4.158 -17.160 1.00 0.42 N ATOM 0 H GLN A 916 6.262 3.836 -18.021 1.00 71.35 H new ATOM 0 HA GLN A 916 8.935 4.467 -18.298 1.00 34.44 H new ATOM 0 HB2 GLN A 916 7.693 3.584 -16.268 1.00 60.20 H new ATOM 0 HB3 GLN A 916 7.775 1.984 -16.977 1.00 60.20 H new ATOM 0 HG2 GLN A 916 9.552 2.346 -15.305 1.00 41.22 H new ATOM 0 HG3 GLN A 916 10.207 2.001 -16.893 1.00 41.22 H new ATOM 0 HE21 GLN A 916 11.600 3.416 -17.840 1.00 0.42 H new ATOM 0 HE22 GLN A 916 12.010 5.000 -17.172 1.00 0.42 H new ATOM 114 N THR A 917 8.209 1.520 -19.619 1.00 75.43 N ATOM 115 CA THR A 917 8.688 0.506 -20.551 1.00 13.32 C ATOM 116 C THR A 917 9.131 1.135 -21.867 1.00 32.10 C ATOM 117 O THR A 917 10.166 0.769 -22.423 1.00 2.53 O ATOM 118 CB THR A 917 7.604 -0.550 -20.838 1.00 51.25 C ATOM 119 OG1 THR A 917 7.228 -1.209 -19.624 1.00 71.23 O ATOM 120 CG2 THR A 917 8.102 -1.576 -21.845 1.00 52.45 C ATOM 0 H THR A 917 7.282 1.336 -19.236 1.00 75.43 H new ATOM 0 HA THR A 917 9.542 0.020 -20.079 1.00 13.32 H new ATOM 0 HB THR A 917 6.736 -0.043 -21.259 1.00 51.25 H new ATOM 0 HG1 THR A 917 6.538 -1.878 -19.815 1.00 71.23 H new ATOM 0 HG21 THR A 917 7.320 -2.312 -22.032 1.00 52.45 H new ATOM 0 HG22 THR A 917 8.359 -1.075 -22.778 1.00 52.45 H new ATOM 0 HG23 THR A 917 8.984 -2.078 -21.447 1.00 52.45 H new ATOM 128 N ALA A 918 8.340 2.083 -22.360 1.00 65.43 N ATOM 129 CA ALA A 918 8.653 2.764 -23.610 1.00 44.03 C ATOM 130 C ALA A 918 10.036 3.406 -23.555 1.00 34.42 C ATOM 131 O ALA A 918 10.735 3.484 -24.564 1.00 71.04 O ATOM 132 CB ALA A 918 7.595 3.812 -23.919 1.00 52.42 C ATOM 0 H ALA A 918 7.478 2.396 -21.913 1.00 65.43 H new ATOM 0 HA ALA A 918 8.658 2.021 -24.408 1.00 44.03 H new ATOM 0 HB1 ALA A 918 7.841 4.313 -24.855 1.00 52.42 H new ATOM 0 HB2 ALA A 918 6.622 3.330 -24.010 1.00 52.42 H new ATOM 0 HB3 ALA A 918 7.563 4.545 -23.113 1.00 52.42 H new ATOM 138 N ALA A 919 10.423 3.864 -22.369 1.00 20.21 N ATOM 139 CA ALA A 919 11.722 4.497 -22.182 1.00 44.41 C ATOM 140 C ALA A 919 12.843 3.463 -22.187 1.00 1.31 C ATOM 141 O ALA A 919 13.885 3.665 -22.812 1.00 3.12 O ATOM 142 CB ALA A 919 11.740 5.292 -20.885 1.00 3.03 C ATOM 0 H ALA A 919 9.855 3.808 -21.524 1.00 20.21 H new ATOM 0 HA ALA A 919 11.889 5.179 -23.016 1.00 44.41 H new ATOM 0 HB1 ALA A 919 12.717 5.759 -20.758 1.00 3.03 H new ATOM 0 HB2 ALA A 919 10.970 6.063 -20.920 1.00 3.03 H new ATOM 0 HB3 ALA A 919 11.546 4.624 -20.046 1.00 3.03 H new ATOM 148 N LEU A 920 12.623 2.356 -21.486 1.00 42.33 N ATOM 149 CA LEU A 920 13.616 1.290 -21.409 1.00 74.22 C ATOM 150 C LEU A 920 14.021 0.821 -22.803 1.00 52.21 C ATOM 151 O LEU A 920 15.171 0.448 -23.033 1.00 53.22 O ATOM 152 CB LEU A 920 13.066 0.112 -20.603 1.00 11.14 C ATOM 153 CG LEU A 920 12.419 0.461 -19.261 1.00 65.34 C ATOM 154 CD1 LEU A 920 11.945 -0.799 -18.554 1.00 73.22 C ATOM 155 CD2 LEU A 920 13.395 1.232 -18.384 1.00 35.12 C ATOM 0 H LEU A 920 11.766 2.173 -20.963 1.00 42.33 H new ATOM 0 HA LEU A 920 14.499 1.685 -20.908 1.00 74.22 H new ATOM 0 HB2 LEU A 920 12.329 -0.408 -21.215 1.00 11.14 H new ATOM 0 HB3 LEU A 920 13.880 -0.589 -20.420 1.00 11.14 H new ATOM 0 HG LEU A 920 11.552 1.095 -19.450 1.00 65.34 H new ATOM 0 HD11 LEU A 920 11.488 -0.532 -17.601 1.00 73.22 H new ATOM 0 HD12 LEU A 920 11.212 -1.312 -19.177 1.00 73.22 H new ATOM 0 HD13 LEU A 920 12.795 -1.458 -18.376 1.00 73.22 H new ATOM 0 HD21 LEU A 920 12.919 1.472 -17.434 1.00 35.12 H new ATOM 0 HD22 LEU A 920 14.280 0.623 -18.202 1.00 35.12 H new ATOM 0 HD23 LEU A 920 13.686 2.154 -18.887 1.00 35.12 H new ATOM 167 N MET A 921 13.069 0.845 -23.730 1.00 14.41 N ATOM 168 CA MET A 921 13.328 0.426 -25.102 1.00 52.24 C ATOM 169 C MET A 921 14.315 1.370 -25.782 1.00 24.43 C ATOM 170 O MET A 921 15.110 0.950 -26.622 1.00 44.54 O ATOM 171 CB MET A 921 12.022 0.376 -25.898 1.00 42.53 C ATOM 172 CG MET A 921 10.876 -0.280 -25.146 1.00 3.04 C ATOM 173 SD MET A 921 9.838 -1.298 -26.212 1.00 14.42 S ATOM 174 CE MET A 921 8.228 -1.027 -25.474 1.00 51.04 C ATOM 0 H MET A 921 12.111 1.150 -23.556 1.00 14.41 H new ATOM 0 HA MET A 921 13.767 -0.571 -25.074 1.00 52.24 H new ATOM 0 HB2 MET A 921 11.733 1.391 -26.170 1.00 42.53 H new ATOM 0 HB3 MET A 921 12.193 -0.167 -26.828 1.00 42.53 H new ATOM 0 HG2 MET A 921 11.279 -0.896 -24.343 1.00 3.04 H new ATOM 0 HG3 MET A 921 10.264 0.492 -24.679 1.00 3.04 H new ATOM 0 HE1 MET A 921 7.469 -1.001 -26.256 1.00 51.04 H new ATOM 0 HE2 MET A 921 8.006 -1.836 -24.779 1.00 51.04 H new ATOM 0 HE3 MET A 921 8.229 -0.078 -24.938 1.00 51.04 H new ATOM 184 N ALA A 922 14.259 2.645 -25.412 1.00 32.22 N ATOM 185 CA ALA A 922 15.149 3.647 -25.984 1.00 65.44 C ATOM 186 C ALA A 922 16.609 3.308 -25.702 1.00 45.54 C ATOM 187 O ALA A 922 17.502 3.686 -26.462 1.00 25.13 O ATOM 188 CB ALA A 922 14.811 5.027 -25.441 1.00 33.45 C ATOM 0 H ALA A 922 13.606 3.008 -24.718 1.00 32.22 H new ATOM 0 HA ALA A 922 15.005 3.650 -27.064 1.00 65.44 H new ATOM 0 HB1 ALA A 922 15.484 5.765 -25.877 1.00 33.45 H new ATOM 0 HB2 ALA A 922 13.782 5.277 -25.699 1.00 33.45 H new ATOM 0 HB3 ALA A 922 14.924 5.029 -24.357 1.00 33.45 H new ATOM 194 N HIS A 923 16.846 2.596 -24.606 1.00 31.44 N ATOM 195 CA HIS A 923 18.199 2.207 -24.223 1.00 72.34 C ATOM 196 C HIS A 923 18.786 1.222 -25.230 1.00 71.01 C ATOM 197 O HIS A 923 19.975 1.276 -25.546 1.00 24.44 O ATOM 198 CB HIS A 923 18.198 1.586 -22.826 1.00 41.11 C ATOM 199 CG HIS A 923 17.945 2.576 -21.731 1.00 42.11 C ATOM 200 ND1 HIS A 923 18.468 3.852 -21.734 1.00 62.04 N ATOM 201 CD2 HIS A 923 17.218 2.472 -20.594 1.00 41.11 C ATOM 202 CE1 HIS A 923 18.075 4.489 -20.646 1.00 43.31 C ATOM 203 NE2 HIS A 923 17.315 3.674 -19.937 1.00 41.14 N ATOM 0 H HIS A 923 16.119 2.276 -23.966 1.00 31.44 H new ATOM 0 HA HIS A 923 18.819 3.103 -24.213 1.00 72.34 H new ATOM 0 HB2 HIS A 923 17.436 0.807 -22.784 1.00 41.11 H new ATOM 0 HB3 HIS A 923 19.159 1.102 -22.652 1.00 41.11 H new ATOM 0 HD2 HIS A 923 16.665 1.605 -20.265 1.00 41.11 H new ATOM 0 HE1 HIS A 923 18.332 5.504 -20.381 1.00 43.31 H new ATOM 0 HE2 HIS A 923 16.872 3.901 -19.046 1.00 41.14 H new ATOM 211 N LEU A 924 17.945 0.323 -25.730 1.00 42.34 N ATOM 212 CA LEU A 924 18.381 -0.675 -26.701 1.00 52.32 C ATOM 213 C LEU A 924 18.504 -0.063 -28.093 1.00 43.10 C ATOM 214 O LEU A 924 19.492 -0.283 -28.794 1.00 5.42 O ATOM 215 CB LEU A 924 17.399 -1.847 -26.732 1.00 71.24 C ATOM 216 CG LEU A 924 17.097 -2.506 -25.386 1.00 1.11 C ATOM 217 CD1 LEU A 924 15.625 -2.355 -25.036 1.00 72.51 C ATOM 218 CD2 LEU A 924 17.494 -3.975 -25.410 1.00 2.32 C ATOM 0 H LEU A 924 16.958 0.265 -25.479 1.00 42.34 H new ATOM 0 HA LEU A 924 19.362 -1.039 -26.396 1.00 52.32 H new ATOM 0 HB2 LEU A 924 16.460 -1.497 -27.161 1.00 71.24 H new ATOM 0 HB3 LEU A 924 17.793 -2.608 -27.406 1.00 71.24 H new ATOM 0 HG LEU A 924 17.685 -2.004 -24.618 1.00 1.11 H new ATOM 0 HD11 LEU A 924 15.429 -2.830 -24.075 1.00 72.51 H new ATOM 0 HD12 LEU A 924 15.372 -1.296 -24.976 1.00 72.51 H new ATOM 0 HD13 LEU A 924 15.017 -2.830 -25.806 1.00 72.51 H new ATOM 0 HD21 LEU A 924 17.272 -4.428 -24.444 1.00 2.32 H new ATOM 0 HD22 LEU A 924 16.934 -4.491 -26.190 1.00 2.32 H new ATOM 0 HD23 LEU A 924 18.561 -4.060 -25.614 1.00 2.32 H new ATOM 230 N PHE A 925 17.496 0.708 -28.487 1.00 34.44 N ATOM 231 CA PHE A 925 17.492 1.353 -29.794 1.00 75.24 C ATOM 232 C PHE A 925 18.734 2.220 -29.977 1.00 14.22 C ATOM 233 O PHE A 925 19.196 2.432 -31.097 1.00 72.23 O ATOM 234 CB PHE A 925 16.232 2.205 -29.963 1.00 34.55 C ATOM 235 CG PHE A 925 14.957 1.423 -29.823 1.00 14.05 C ATOM 236 CD1 PHE A 925 14.811 0.193 -30.444 1.00 15.32 C ATOM 237 CD2 PHE A 925 13.904 1.919 -29.070 1.00 70.50 C ATOM 238 CE1 PHE A 925 13.639 -0.529 -30.317 1.00 13.32 C ATOM 239 CE2 PHE A 925 12.730 1.201 -28.939 1.00 61.10 C ATOM 240 CZ PHE A 925 12.597 -0.024 -29.564 1.00 53.51 C ATOM 0 H PHE A 925 16.671 0.901 -27.919 1.00 34.44 H new ATOM 0 HA PHE A 925 17.499 0.573 -30.555 1.00 75.24 H new ATOM 0 HB2 PHE A 925 16.242 3.005 -29.222 1.00 34.55 H new ATOM 0 HB3 PHE A 925 16.252 2.679 -30.944 1.00 34.55 H new ATOM 0 HD1 PHE A 925 15.622 -0.206 -31.034 1.00 15.32 H new ATOM 0 HD2 PHE A 925 14.002 2.877 -28.580 1.00 70.50 H new ATOM 0 HE1 PHE A 925 13.538 -1.487 -30.806 1.00 13.32 H new ATOM 0 HE2 PHE A 925 11.917 1.597 -28.348 1.00 61.10 H new ATOM 0 HZ PHE A 925 11.680 -0.586 -29.464 1.00 53.51 H new ATOM 250 N GLU A 926 19.268 2.720 -28.866 1.00 74.45 N ATOM 251 CA GLU A 926 20.455 3.565 -28.904 1.00 50.21 C ATOM 252 C GLU A 926 21.689 2.753 -29.286 1.00 42.44 C ATOM 253 O GLU A 926 22.681 3.301 -29.766 1.00 42.32 O ATOM 254 CB GLU A 926 20.673 4.237 -27.547 1.00 21.13 C ATOM 255 CG GLU A 926 19.897 5.532 -27.377 1.00 0.13 C ATOM 256 CD GLU A 926 20.574 6.711 -28.049 1.00 23.51 C ATOM 257 OE1 GLU A 926 21.805 6.854 -27.897 1.00 64.43 O ATOM 258 OE2 GLU A 926 19.872 7.490 -28.727 1.00 63.31 O ATOM 0 H GLU A 926 18.897 2.554 -27.930 1.00 74.45 H new ATOM 0 HA GLU A 926 20.299 4.333 -29.661 1.00 50.21 H new ATOM 0 HB2 GLU A 926 20.384 3.544 -26.757 1.00 21.13 H new ATOM 0 HB3 GLU A 926 21.736 4.441 -27.419 1.00 21.13 H new ATOM 0 HG2 GLU A 926 18.896 5.408 -27.791 1.00 0.13 H new ATOM 0 HG3 GLU A 926 19.779 5.743 -26.314 1.00 0.13 H new ATOM 265 N MET A 927 21.620 1.444 -29.069 1.00 55.12 N ATOM 266 CA MET A 927 22.731 0.556 -29.391 1.00 53.24 C ATOM 267 C MET A 927 22.775 0.262 -30.887 1.00 44.15 C ATOM 268 O MET A 927 23.850 0.162 -31.478 1.00 52.44 O ATOM 269 CB MET A 927 22.611 -0.751 -28.606 1.00 71.31 C ATOM 270 CG MET A 927 22.578 -0.554 -27.099 1.00 64.32 C ATOM 271 SD MET A 927 24.084 0.208 -26.466 1.00 4.53 S ATOM 272 CE MET A 927 25.087 -1.240 -26.142 1.00 41.10 C ATOM 0 H MET A 927 20.806 0.974 -28.671 1.00 55.12 H new ATOM 0 HA MET A 927 23.657 1.057 -29.109 1.00 53.24 H new ATOM 0 HB2 MET A 927 21.704 -1.270 -28.916 1.00 71.31 H new ATOM 0 HB3 MET A 927 23.451 -1.397 -28.861 1.00 71.31 H new ATOM 0 HG2 MET A 927 21.722 0.068 -26.836 1.00 64.32 H new ATOM 0 HG3 MET A 927 22.432 -1.519 -26.613 1.00 64.32 H new ATOM 0 HE1 MET A 927 25.823 -1.008 -25.372 1.00 41.10 H new ATOM 0 HE2 MET A 927 24.449 -2.055 -25.800 1.00 41.10 H new ATOM 0 HE3 MET A 927 25.600 -1.539 -27.056 1.00 41.10 H new ATOM 282 N GLY A 928 21.600 0.124 -31.495 1.00 25.24 N ATOM 283 CA GLY A 928 21.529 -0.158 -32.916 1.00 73.03 C ATOM 284 C GLY A 928 20.738 -1.415 -33.219 1.00 22.40 C ATOM 285 O GLY A 928 20.999 -2.098 -34.210 1.00 54.32 O ATOM 0 H GLY A 928 20.697 0.203 -31.028 1.00 25.24 H new ATOM 0 HA2 GLY A 928 21.071 0.688 -33.429 1.00 73.03 H new ATOM 0 HA3 GLY A 928 22.539 -0.263 -33.313 1.00 73.03 H new ATOM 289 N PHE A 929 19.770 -1.725 -32.362 1.00 44.54 N ATOM 290 CA PHE A 929 18.941 -2.910 -32.542 1.00 32.35 C ATOM 291 C PHE A 929 17.698 -2.585 -33.366 1.00 23.44 C ATOM 292 O PHE A 929 17.468 -3.178 -34.420 1.00 53.25 O ATOM 293 CB PHE A 929 18.530 -3.482 -31.183 1.00 3.43 C ATOM 294 CG PHE A 929 19.685 -4.011 -30.382 1.00 21.15 C ATOM 295 CD1 PHE A 929 20.511 -4.996 -30.899 1.00 72.03 C ATOM 296 CD2 PHE A 929 19.945 -3.524 -29.111 1.00 2.21 C ATOM 297 CE1 PHE A 929 21.574 -5.485 -30.164 1.00 34.53 C ATOM 298 CE2 PHE A 929 21.007 -4.009 -28.371 1.00 31.13 C ATOM 299 CZ PHE A 929 21.823 -4.991 -28.898 1.00 53.44 C ATOM 0 H PHE A 929 19.541 -1.172 -31.536 1.00 44.54 H new ATOM 0 HA PHE A 929 19.528 -3.655 -33.080 1.00 32.35 H new ATOM 0 HB2 PHE A 929 18.025 -2.705 -30.608 1.00 3.43 H new ATOM 0 HB3 PHE A 929 17.808 -4.284 -31.338 1.00 3.43 H new ATOM 0 HD1 PHE A 929 20.322 -5.386 -31.888 1.00 72.03 H new ATOM 0 HD2 PHE A 929 19.310 -2.756 -28.694 1.00 2.21 H new ATOM 0 HE1 PHE A 929 22.210 -6.253 -30.579 1.00 34.53 H new ATOM 0 HE2 PHE A 929 21.199 -3.620 -27.382 1.00 31.13 H new ATOM 0 HZ PHE A 929 22.653 -5.372 -28.322 1.00 53.44 H new ATOM 309 N CYS A 930 16.902 -1.642 -32.876 1.00 53.35 N ATOM 310 CA CYS A 930 15.681 -1.238 -33.566 1.00 64.12 C ATOM 311 C CYS A 930 14.692 -2.397 -33.644 1.00 44.41 C ATOM 312 O CYS A 930 14.149 -2.691 -34.709 1.00 35.14 O ATOM 313 CB CYS A 930 16.008 -0.735 -34.973 1.00 24.30 C ATOM 314 SG CYS A 930 14.774 0.394 -35.659 1.00 30.12 S ATOM 0 H CYS A 930 17.079 -1.143 -32.004 1.00 53.35 H new ATOM 0 HA CYS A 930 15.222 -0.430 -32.997 1.00 64.12 H new ATOM 0 HB2 CYS A 930 16.974 -0.231 -34.951 1.00 24.30 H new ATOM 0 HB3 CYS A 930 16.111 -1.592 -35.639 1.00 24.30 H new ATOM 0 HG CYS A 930 15.140 0.766 -36.850 1.00 30.12 H new ATOM 320 N ASP A 931 14.466 -3.051 -32.511 1.00 34.05 N ATOM 321 CA ASP A 931 13.543 -4.178 -32.450 1.00 75.41 C ATOM 322 C ASP A 931 12.575 -4.027 -31.280 1.00 44.31 C ATOM 323 O ASP A 931 12.754 -4.645 -30.231 1.00 34.14 O ATOM 324 CB ASP A 931 14.316 -5.492 -32.322 1.00 14.21 C ATOM 325 CG ASP A 931 15.217 -5.752 -33.513 1.00 11.21 C ATOM 326 OD1 ASP A 931 14.726 -6.307 -34.519 1.00 4.24 O ATOM 327 OD2 ASP A 931 16.412 -5.399 -33.440 1.00 25.53 O ATOM 0 H ASP A 931 14.909 -2.820 -31.622 1.00 34.05 H new ATOM 0 HA ASP A 931 12.966 -4.193 -33.375 1.00 75.41 H new ATOM 0 HB2 ASP A 931 14.917 -5.469 -31.413 1.00 14.21 H new ATOM 0 HB3 ASP A 931 13.611 -6.316 -32.217 1.00 14.21 H new ATOM 332 N ARG A 932 11.553 -3.199 -31.468 1.00 35.30 N ATOM 333 CA ARG A 932 10.559 -2.965 -30.427 1.00 53.54 C ATOM 334 C ARG A 932 9.947 -4.280 -29.953 1.00 53.55 C ATOM 335 O ARG A 932 9.508 -4.394 -28.809 1.00 42.43 O ATOM 336 CB ARG A 932 9.459 -2.035 -30.943 1.00 50.43 C ATOM 337 CG ARG A 932 8.514 -2.699 -31.931 1.00 54.40 C ATOM 338 CD ARG A 932 7.292 -3.274 -31.232 1.00 54.31 C ATOM 339 NE ARG A 932 6.191 -2.315 -31.177 1.00 21.23 N ATOM 340 CZ ARG A 932 5.516 -1.908 -32.246 1.00 63.42 C ATOM 341 NH1 ARG A 932 5.828 -2.375 -33.448 1.00 11.44 N ATOM 342 NH2 ARG A 932 4.527 -1.034 -32.115 1.00 2.31 N ATOM 0 H ARG A 932 11.391 -2.679 -32.331 1.00 35.30 H new ATOM 0 HA ARG A 932 11.059 -2.492 -29.582 1.00 53.54 H new ATOM 0 HB2 ARG A 932 8.883 -1.663 -30.096 1.00 50.43 H new ATOM 0 HB3 ARG A 932 9.920 -1.170 -31.420 1.00 50.43 H new ATOM 0 HG2 ARG A 932 8.198 -1.972 -32.679 1.00 54.40 H new ATOM 0 HG3 ARG A 932 9.039 -3.494 -32.461 1.00 54.40 H new ATOM 0 HD2 ARG A 932 6.964 -4.172 -31.755 1.00 54.31 H new ATOM 0 HD3 ARG A 932 7.562 -3.575 -30.220 1.00 54.31 H new ATOM 0 HE ARG A 932 5.926 -1.937 -30.267 1.00 21.23 H new ATOM 0 HH11 ARG A 932 6.587 -3.048 -33.552 1.00 11.44 H new ATOM 0 HH12 ARG A 932 5.308 -2.061 -34.268 1.00 11.44 H new ATOM 0 HH21 ARG A 932 4.284 -0.673 -31.192 1.00 2.31 H new ATOM 0 HH22 ARG A 932 4.010 -0.722 -32.937 1.00 2.31 H new ATOM 356 N GLN A 933 9.921 -5.268 -30.841 1.00 72.24 N ATOM 357 CA GLN A 933 9.361 -6.574 -30.514 1.00 24.24 C ATOM 358 C GLN A 933 10.272 -7.330 -29.552 1.00 32.44 C ATOM 359 O GLN A 933 9.802 -7.980 -28.616 1.00 72.05 O ATOM 360 CB GLN A 933 9.150 -7.396 -31.786 1.00 53.14 C ATOM 361 CG GLN A 933 8.256 -6.713 -32.810 1.00 25.34 C ATOM 362 CD GLN A 933 7.493 -7.701 -33.670 1.00 25.33 C ATOM 363 OE1 GLN A 933 6.967 -8.697 -33.173 1.00 32.31 O ATOM 364 NE2 GLN A 933 7.430 -7.430 -34.968 1.00 73.52 N ATOM 0 H GLN A 933 10.281 -5.189 -31.792 1.00 72.24 H new ATOM 0 HA GLN A 933 8.398 -6.417 -30.028 1.00 24.24 H new ATOM 0 HB2 GLN A 933 10.119 -7.601 -32.241 1.00 53.14 H new ATOM 0 HB3 GLN A 933 8.713 -8.358 -31.519 1.00 53.14 H new ATOM 0 HG2 GLN A 933 7.548 -6.064 -32.294 1.00 25.34 H new ATOM 0 HG3 GLN A 933 8.865 -6.075 -33.450 1.00 25.34 H new ATOM 0 HE21 GLN A 933 7.881 -6.593 -35.337 1.00 73.52 H new ATOM 0 HE22 GLN A 933 6.931 -8.059 -35.597 1.00 73.52 H new ATOM 373 N LEU A 934 11.576 -7.242 -29.787 1.00 22.32 N ATOM 374 CA LEU A 934 12.554 -7.919 -28.941 1.00 54.31 C ATOM 375 C LEU A 934 12.568 -7.319 -27.539 1.00 11.13 C ATOM 376 O LEU A 934 12.449 -8.035 -26.546 1.00 13.04 O ATOM 377 CB LEU A 934 13.948 -7.824 -29.563 1.00 11.31 C ATOM 378 CG LEU A 934 14.399 -9.030 -30.388 1.00 15.23 C ATOM 379 CD1 LEU A 934 13.349 -9.387 -31.429 1.00 32.05 C ATOM 380 CD2 LEU A 934 15.738 -8.750 -31.053 1.00 24.50 C ATOM 0 H LEU A 934 11.981 -6.709 -30.556 1.00 22.32 H new ATOM 0 HA LEU A 934 12.268 -8.968 -28.865 1.00 54.31 H new ATOM 0 HB2 LEU A 934 13.980 -6.941 -30.201 1.00 11.31 H new ATOM 0 HB3 LEU A 934 14.671 -7.666 -28.763 1.00 11.31 H new ATOM 0 HG LEU A 934 14.520 -9.881 -29.717 1.00 15.23 H new ATOM 0 HD11 LEU A 934 13.687 -10.247 -32.007 1.00 32.05 H new ATOM 0 HD12 LEU A 934 12.411 -9.631 -30.931 1.00 32.05 H new ATOM 0 HD13 LEU A 934 13.196 -8.539 -32.097 1.00 32.05 H new ATOM 0 HD21 LEU A 934 16.044 -9.619 -31.636 1.00 24.50 H new ATOM 0 HD22 LEU A 934 15.644 -7.886 -31.711 1.00 24.50 H new ATOM 0 HD23 LEU A 934 16.488 -8.544 -30.289 1.00 24.50 H new ATOM 392 N ASN A 935 12.713 -6.000 -27.466 1.00 55.33 N ATOM 393 CA ASN A 935 12.740 -5.303 -26.185 1.00 45.04 C ATOM 394 C ASN A 935 11.516 -5.657 -25.347 1.00 11.41 C ATOM 395 O ASN A 935 11.569 -5.649 -24.116 1.00 50.23 O ATOM 396 CB ASN A 935 12.802 -3.790 -26.405 1.00 63.13 C ATOM 397 CG ASN A 935 13.586 -3.418 -27.649 1.00 72.23 C ATOM 398 OD1 ASN A 935 13.080 -2.722 -28.530 1.00 61.30 O ATOM 399 ND2 ASN A 935 14.828 -3.882 -27.727 1.00 33.11 N ATOM 0 H ASN A 935 12.814 -5.392 -28.279 1.00 55.33 H new ATOM 0 HA ASN A 935 13.632 -5.622 -25.645 1.00 45.04 H new ATOM 0 HB2 ASN A 935 11.789 -3.396 -26.486 1.00 63.13 H new ATOM 0 HB3 ASN A 935 13.260 -3.318 -25.536 1.00 63.13 H new ATOM 0 HD21 ASN A 935 15.403 -3.665 -28.541 1.00 33.11 H new ATOM 0 HD22 ASN A 935 15.207 -4.455 -26.973 1.00 33.11 H new ATOM 406 N LEU A 936 10.414 -5.967 -26.021 1.00 0.01 N ATOM 407 CA LEU A 936 9.175 -6.325 -25.339 1.00 1.33 C ATOM 408 C LEU A 936 9.234 -7.757 -24.818 1.00 62.21 C ATOM 409 O LEU A 936 8.970 -8.012 -23.643 1.00 60.41 O ATOM 410 CB LEU A 936 7.984 -6.162 -26.284 1.00 71.45 C ATOM 411 CG LEU A 936 6.641 -5.846 -25.625 1.00 2.03 C ATOM 412 CD1 LEU A 936 6.223 -6.976 -24.697 1.00 30.11 C ATOM 413 CD2 LEU A 936 6.718 -4.530 -24.864 1.00 55.15 C ATOM 0 H LEU A 936 10.353 -5.978 -27.039 1.00 0.01 H new ATOM 0 HA LEU A 936 9.050 -5.654 -24.489 1.00 1.33 H new ATOM 0 HB2 LEU A 936 8.214 -5.366 -26.992 1.00 71.45 H new ATOM 0 HB3 LEU A 936 7.875 -7.080 -26.861 1.00 71.45 H new ATOM 0 HG LEU A 936 5.888 -5.748 -26.407 1.00 2.03 H new ATOM 0 HD11 LEU A 936 5.265 -6.734 -24.237 1.00 30.11 H new ATOM 0 HD12 LEU A 936 6.128 -7.900 -25.268 1.00 30.11 H new ATOM 0 HD13 LEU A 936 6.976 -7.106 -23.920 1.00 30.11 H new ATOM 0 HD21 LEU A 936 5.754 -4.320 -24.401 1.00 55.15 H new ATOM 0 HD22 LEU A 936 7.484 -4.601 -24.091 1.00 55.15 H new ATOM 0 HD23 LEU A 936 6.972 -3.725 -25.554 1.00 55.15 H new ATOM 425 N ARG A 937 9.584 -8.688 -25.700 1.00 4.21 N ATOM 426 CA ARG A 937 9.679 -10.095 -25.329 1.00 43.50 C ATOM 427 C ARG A 937 10.786 -10.312 -24.302 1.00 25.42 C ATOM 428 O ARG A 937 10.713 -11.226 -23.478 1.00 42.53 O ATOM 429 CB ARG A 937 9.941 -10.954 -26.567 1.00 44.22 C ATOM 430 CG ARG A 937 11.411 -11.051 -26.941 1.00 25.21 C ATOM 431 CD ARG A 937 12.055 -12.297 -26.352 1.00 13.24 C ATOM 432 NE ARG A 937 11.397 -13.519 -26.805 1.00 61.33 N ATOM 433 CZ ARG A 937 11.668 -14.724 -26.317 1.00 21.45 C ATOM 434 NH1 ARG A 937 12.579 -14.867 -25.363 1.00 74.55 N ATOM 435 NH2 ARG A 937 11.027 -15.789 -26.781 1.00 22.52 N ATOM 0 H ARG A 937 9.806 -8.493 -26.676 1.00 4.21 H new ATOM 0 HA ARG A 937 8.730 -10.393 -24.883 1.00 43.50 H new ATOM 0 HB2 ARG A 937 9.553 -11.957 -26.392 1.00 44.22 H new ATOM 0 HB3 ARG A 937 9.387 -10.540 -27.410 1.00 44.22 H new ATOM 0 HG2 ARG A 937 11.511 -11.067 -28.026 1.00 25.21 H new ATOM 0 HG3 ARG A 937 11.937 -10.165 -26.585 1.00 25.21 H new ATOM 0 HD2 ARG A 937 13.108 -12.327 -26.631 1.00 13.24 H new ATOM 0 HD3 ARG A 937 12.015 -12.246 -25.264 1.00 13.24 H new ATOM 0 HE ARG A 937 10.690 -13.443 -27.537 1.00 61.33 H new ATOM 0 HH11 ARG A 937 13.073 -14.050 -25.003 1.00 74.55 H new ATOM 0 HH12 ARG A 937 12.785 -15.794 -24.990 1.00 74.55 H new ATOM 0 HH21 ARG A 937 10.325 -15.683 -27.513 1.00 22.52 H new ATOM 0 HH22 ARG A 937 11.236 -16.714 -26.405 1.00 22.52 H new ATOM 449 N LEU A 938 11.811 -9.469 -24.357 1.00 3.05 N ATOM 450 CA LEU A 938 12.935 -9.569 -23.431 1.00 73.03 C ATOM 451 C LEU A 938 12.544 -9.069 -22.044 1.00 60.32 C ATOM 452 O LEU A 938 12.791 -9.737 -21.039 1.00 64.43 O ATOM 453 CB LEU A 938 14.127 -8.768 -23.957 1.00 50.14 C ATOM 454 CG LEU A 938 15.275 -9.585 -24.552 1.00 54.21 C ATOM 455 CD1 LEU A 938 15.795 -10.592 -23.538 1.00 54.20 C ATOM 456 CD2 LEU A 938 14.825 -10.289 -25.824 1.00 33.53 C ATOM 0 H LEU A 938 11.888 -8.709 -25.033 1.00 3.05 H new ATOM 0 HA LEU A 938 13.217 -10.619 -23.352 1.00 73.03 H new ATOM 0 HB2 LEU A 938 13.767 -8.077 -24.719 1.00 50.14 H new ATOM 0 HB3 LEU A 938 14.522 -8.164 -23.140 1.00 50.14 H new ATOM 0 HG LEU A 938 16.087 -8.904 -24.806 1.00 54.21 H new ATOM 0 HD11 LEU A 938 16.611 -11.164 -23.979 1.00 54.20 H new ATOM 0 HD12 LEU A 938 16.157 -10.065 -22.655 1.00 54.20 H new ATOM 0 HD13 LEU A 938 14.990 -11.269 -23.252 1.00 54.20 H new ATOM 0 HD21 LEU A 938 15.654 -10.865 -26.234 1.00 33.53 H new ATOM 0 HD22 LEU A 938 13.996 -10.958 -25.595 1.00 33.53 H new ATOM 0 HD23 LEU A 938 14.502 -9.548 -26.555 1.00 33.53 H new ATOM 468 N LEU A 939 11.931 -7.892 -21.996 1.00 53.14 N ATOM 469 CA LEU A 939 11.503 -7.303 -20.732 1.00 51.12 C ATOM 470 C LEU A 939 10.706 -8.307 -19.905 1.00 64.24 C ATOM 471 O LEU A 939 11.042 -8.585 -18.754 1.00 12.22 O ATOM 472 CB LEU A 939 10.659 -6.053 -20.989 1.00 31.21 C ATOM 473 CG LEU A 939 11.430 -4.740 -21.129 1.00 14.12 C ATOM 474 CD1 LEU A 939 10.531 -3.651 -21.694 1.00 73.21 C ATOM 475 CD2 LEU A 939 12.006 -4.314 -19.786 1.00 62.44 C ATOM 0 H LEU A 939 11.719 -7.326 -22.818 1.00 53.14 H new ATOM 0 HA LEU A 939 12.394 -7.023 -20.170 1.00 51.12 H new ATOM 0 HB2 LEU A 939 10.081 -6.210 -21.899 1.00 31.21 H new ATOM 0 HB3 LEU A 939 9.945 -5.947 -20.172 1.00 31.21 H new ATOM 0 HG LEU A 939 12.256 -4.898 -21.823 1.00 14.12 H new ATOM 0 HD11 LEU A 939 11.097 -2.724 -21.787 1.00 73.21 H new ATOM 0 HD12 LEU A 939 10.166 -3.953 -22.676 1.00 73.21 H new ATOM 0 HD13 LEU A 939 9.685 -3.494 -21.025 1.00 73.21 H new ATOM 0 HD21 LEU A 939 12.551 -3.378 -19.905 1.00 62.44 H new ATOM 0 HD22 LEU A 939 11.196 -4.174 -19.071 1.00 62.44 H new ATOM 0 HD23 LEU A 939 12.684 -5.085 -19.420 1.00 62.44 H new ATOM 487 N LYS A 940 9.651 -8.851 -20.501 1.00 73.23 N ATOM 488 CA LYS A 940 8.807 -9.828 -19.823 1.00 3.04 C ATOM 489 C LYS A 940 9.607 -11.073 -19.453 1.00 34.40 C ATOM 490 O LYS A 940 9.243 -11.807 -18.533 1.00 61.04 O ATOM 491 CB LYS A 940 7.623 -10.214 -20.711 1.00 34.30 C ATOM 492 CG LYS A 940 6.806 -9.025 -21.187 1.00 63.31 C ATOM 493 CD LYS A 940 5.472 -8.940 -20.465 1.00 2.53 C ATOM 494 CE LYS A 940 4.988 -7.502 -20.357 1.00 4.44 C ATOM 495 NZ LYS A 940 4.027 -7.157 -21.441 1.00 5.33 N ATOM 0 H LYS A 940 9.359 -8.632 -21.454 1.00 73.23 H new ATOM 0 HA LYS A 940 8.431 -9.373 -18.906 1.00 3.04 H new ATOM 0 HB2 LYS A 940 7.993 -10.760 -21.579 1.00 34.30 H new ATOM 0 HB3 LYS A 940 6.973 -10.894 -20.160 1.00 34.30 H new ATOM 0 HG2 LYS A 940 7.369 -8.106 -21.022 1.00 63.31 H new ATOM 0 HG3 LYS A 940 6.635 -9.106 -22.260 1.00 63.31 H new ATOM 0 HD2 LYS A 940 4.730 -9.536 -20.997 1.00 2.53 H new ATOM 0 HD3 LYS A 940 5.569 -9.368 -19.467 1.00 2.53 H new ATOM 0 HE2 LYS A 940 4.512 -7.351 -19.388 1.00 4.44 H new ATOM 0 HE3 LYS A 940 5.843 -6.827 -20.401 1.00 4.44 H new ATOM 0 HZ1 LYS A 940 3.851 -6.132 -21.436 1.00 5.33 H new ATOM 0 HZ2 LYS A 940 4.426 -7.436 -22.360 1.00 5.33 H new ATOM 0 HZ3 LYS A 940 3.132 -7.662 -21.285 1.00 5.33 H new ATOM 509 N LYS A 941 10.698 -11.306 -20.174 1.00 70.12 N ATOM 510 CA LYS A 941 11.551 -12.461 -19.921 1.00 62.10 C ATOM 511 C LYS A 941 12.388 -12.254 -18.663 1.00 11.14 C ATOM 512 O LYS A 941 12.558 -13.172 -17.860 1.00 33.22 O ATOM 513 CB LYS A 941 12.468 -12.716 -21.120 1.00 31.34 C ATOM 514 CG LYS A 941 13.102 -14.096 -21.117 1.00 25.31 C ATOM 515 CD LYS A 941 14.584 -14.029 -21.446 1.00 63.33 C ATOM 516 CE LYS A 941 15.383 -15.030 -20.626 1.00 64.43 C ATOM 517 NZ LYS A 941 16.416 -15.722 -21.447 1.00 54.24 N ATOM 0 H LYS A 941 11.013 -10.710 -20.939 1.00 70.12 H new ATOM 0 HA LYS A 941 10.909 -13.329 -19.771 1.00 62.10 H new ATOM 0 HB2 LYS A 941 11.895 -12.591 -22.039 1.00 31.34 H new ATOM 0 HB3 LYS A 941 13.256 -11.963 -21.131 1.00 31.34 H new ATOM 0 HG2 LYS A 941 12.966 -14.558 -20.139 1.00 25.31 H new ATOM 0 HG3 LYS A 941 12.595 -14.732 -21.843 1.00 25.31 H new ATOM 0 HD2 LYS A 941 14.731 -14.227 -22.508 1.00 63.33 H new ATOM 0 HD3 LYS A 941 14.955 -13.022 -21.255 1.00 63.33 H new ATOM 0 HE2 LYS A 941 15.865 -14.516 -19.794 1.00 64.43 H new ATOM 0 HE3 LYS A 941 14.707 -15.769 -20.195 1.00 64.43 H new ATOM 0 HZ1 LYS A 941 16.939 -16.396 -20.852 1.00 54.24 H new ATOM 0 HZ2 LYS A 941 15.955 -16.234 -22.226 1.00 54.24 H new ATOM 0 HZ3 LYS A 941 17.077 -15.020 -21.837 1.00 54.24 H new ATOM 531 N HIS A 942 12.908 -11.042 -18.496 1.00 13.12 N ATOM 532 CA HIS A 942 13.725 -10.714 -17.333 1.00 62.02 C ATOM 533 C HIS A 942 12.892 -10.017 -16.262 1.00 52.53 C ATOM 534 O HIS A 942 13.415 -9.596 -15.232 1.00 1.35 O ATOM 535 CB HIS A 942 14.899 -9.824 -17.743 1.00 54.31 C ATOM 536 CG HIS A 942 15.767 -10.428 -18.803 1.00 42.10 C ATOM 537 ND1 HIS A 942 16.703 -11.407 -18.542 1.00 14.12 N ATOM 538 CD2 HIS A 942 15.837 -10.188 -20.133 1.00 45.13 C ATOM 539 CE1 HIS A 942 17.312 -11.742 -19.665 1.00 53.42 C ATOM 540 NE2 HIS A 942 16.805 -11.017 -20.646 1.00 52.31 N ATOM 0 H HIS A 942 12.778 -10.271 -19.151 1.00 13.12 H new ATOM 0 HA HIS A 942 14.112 -11.645 -16.918 1.00 62.02 H new ATOM 0 HB2 HIS A 942 14.513 -8.870 -18.101 1.00 54.31 H new ATOM 0 HB3 HIS A 942 15.508 -9.612 -16.864 1.00 54.31 H new ATOM 0 HD1 HIS A 942 16.895 -11.809 -17.625 1.00 14.12 H new ATOM 0 HD2 HIS A 942 15.243 -9.477 -20.688 1.00 45.13 H new ATOM 0 HE1 HIS A 942 18.092 -12.483 -19.764 1.00 53.42 H new ATOM 548 N ASN A 943 11.592 -9.897 -16.515 1.00 24.42 N ATOM 549 CA ASN A 943 10.687 -9.250 -15.573 1.00 10.52 C ATOM 550 C ASN A 943 11.009 -7.764 -15.443 1.00 55.34 C ATOM 551 O ASN A 943 11.356 -7.285 -14.364 1.00 4.13 O ATOM 552 CB ASN A 943 10.776 -9.923 -14.202 1.00 61.41 C ATOM 553 CG ASN A 943 10.859 -11.434 -14.305 1.00 34.12 C ATOM 554 OD1 ASN A 943 11.866 -12.038 -13.936 1.00 33.40 O ATOM 555 ND2 ASN A 943 9.796 -12.052 -14.808 1.00 42.43 N ATOM 0 H ASN A 943 11.143 -10.239 -17.364 1.00 24.42 H new ATOM 0 HA ASN A 943 9.671 -9.353 -15.955 1.00 10.52 H new ATOM 0 HB2 ASN A 943 11.652 -9.549 -13.673 1.00 61.41 H new ATOM 0 HB3 ASN A 943 9.904 -9.649 -13.608 1.00 61.41 H new ATOM 0 HD21 ASN A 943 9.793 -13.068 -14.901 1.00 42.43 H new ATOM 0 HD22 ASN A 943 8.983 -11.511 -15.101 1.00 42.43 H new ATOM 562 N TYR A 944 10.889 -7.040 -16.551 1.00 2.24 N ATOM 563 CA TYR A 944 11.169 -5.609 -16.562 1.00 12.20 C ATOM 564 C TYR A 944 12.607 -5.331 -16.134 1.00 74.20 C ATOM 565 O TYR A 944 12.857 -4.501 -15.261 1.00 72.13 O ATOM 566 CB TYR A 944 10.198 -4.871 -15.638 1.00 44.01 C ATOM 567 CG TYR A 944 8.870 -4.552 -16.286 1.00 32.13 C ATOM 568 CD1 TYR A 944 8.144 -5.535 -16.948 1.00 1.31 C ATOM 569 CD2 TYR A 944 8.341 -3.268 -16.236 1.00 73.44 C ATOM 570 CE1 TYR A 944 6.930 -5.248 -17.542 1.00 21.03 C ATOM 571 CE2 TYR A 944 7.127 -2.973 -16.826 1.00 51.10 C ATOM 572 CZ TYR A 944 6.426 -3.966 -17.478 1.00 15.14 C ATOM 573 OH TYR A 944 5.217 -3.675 -18.067 1.00 72.35 O ATOM 0 H TYR A 944 10.600 -7.420 -17.452 1.00 2.24 H new ATOM 0 HA TYR A 944 11.037 -5.247 -17.582 1.00 12.20 H new ATOM 0 HB2 TYR A 944 10.023 -5.478 -14.750 1.00 44.01 H new ATOM 0 HB3 TYR A 944 10.662 -3.943 -15.304 1.00 44.01 H new ATOM 0 HD1 TYR A 944 8.535 -6.540 -16.999 1.00 1.31 H new ATOM 0 HD2 TYR A 944 8.888 -2.488 -15.728 1.00 73.44 H new ATOM 0 HE1 TYR A 944 6.379 -6.023 -18.054 1.00 21.03 H new ATOM 0 HE2 TYR A 944 6.729 -1.970 -16.777 1.00 51.10 H new ATOM 0 HH TYR A 944 5.006 -2.728 -17.930 1.00 72.35 H new ATOM 583 N ASN A 945 13.548 -6.033 -16.757 1.00 3.34 N ATOM 584 CA ASN A 945 14.962 -5.863 -16.441 1.00 40.23 C ATOM 585 C ASN A 945 15.744 -5.413 -17.672 1.00 74.41 C ATOM 586 O ASN A 945 16.365 -6.227 -18.356 1.00 72.14 O ATOM 587 CB ASN A 945 15.546 -7.170 -15.902 1.00 2.25 C ATOM 588 CG ASN A 945 16.592 -6.936 -14.828 1.00 71.03 C ATOM 589 OD1 ASN A 945 17.519 -6.024 -15.095 1.00 74.23 O flip ATOM 590 ND2 ASN A 945 16.566 -7.568 -13.772 1.00 3.31 N flip ATOM 0 H ASN A 945 13.358 -6.724 -17.483 1.00 3.34 H new ATOM 0 HA ASN A 945 15.048 -5.092 -15.676 1.00 40.23 H new ATOM 0 HB2 ASN A 945 14.742 -7.784 -15.495 1.00 2.25 H new ATOM 0 HB3 ASN A 945 15.991 -7.732 -16.723 1.00 2.25 H new ATOM 0 HD21 ASN A 945 15.834 -8.260 -13.610 1.00 3.31 H new ATOM 0 HD22 ASN A 945 17.276 -7.400 -13.059 1.00 3.31 H new ATOM 597 N ILE A 946 15.708 -4.114 -17.947 1.00 3.14 N ATOM 598 CA ILE A 946 16.415 -3.556 -19.093 1.00 75.44 C ATOM 599 C ILE A 946 17.883 -3.969 -19.088 1.00 54.44 C ATOM 600 O ILE A 946 18.473 -4.218 -20.141 1.00 14.34 O ATOM 601 CB ILE A 946 16.325 -2.019 -19.117 1.00 33.11 C ATOM 602 CG1 ILE A 946 17.020 -1.465 -20.362 1.00 4.22 C ATOM 603 CG2 ILE A 946 16.940 -1.433 -17.855 1.00 33.23 C ATOM 604 CD1 ILE A 946 16.325 -1.828 -21.655 1.00 32.20 C ATOM 0 H ILE A 946 15.197 -3.428 -17.392 1.00 3.14 H new ATOM 0 HA ILE A 946 15.932 -3.953 -19.986 1.00 75.44 H new ATOM 0 HB ILE A 946 15.274 -1.732 -19.153 1.00 33.11 H new ATOM 0 HG12 ILE A 946 17.078 -0.379 -20.283 1.00 4.22 H new ATOM 0 HG13 ILE A 946 18.044 -1.838 -20.392 1.00 4.22 H new ATOM 0 HG21 ILE A 946 16.869 -0.346 -17.887 1.00 33.23 H new ATOM 0 HG22 ILE A 946 16.405 -1.806 -16.982 1.00 33.23 H new ATOM 0 HG23 ILE A 946 17.988 -1.726 -17.791 1.00 33.23 H new ATOM 0 HD11 ILE A 946 16.873 -1.402 -22.495 1.00 32.20 H new ATOM 0 HD12 ILE A 946 16.290 -2.913 -21.757 1.00 32.20 H new ATOM 0 HD13 ILE A 946 15.310 -1.432 -21.646 1.00 32.20 H new ATOM 616 N LEU A 947 18.467 -4.040 -17.898 1.00 21.54 N ATOM 617 CA LEU A 947 19.867 -4.425 -17.754 1.00 40.04 C ATOM 618 C LEU A 947 20.144 -5.747 -18.464 1.00 0.43 C ATOM 619 O LEU A 947 21.061 -5.844 -19.279 1.00 11.42 O ATOM 620 CB LEU A 947 20.236 -4.540 -16.274 1.00 72.33 C ATOM 621 CG LEU A 947 19.799 -3.379 -15.381 1.00 53.42 C ATOM 622 CD1 LEU A 947 20.293 -3.584 -13.958 1.00 21.32 C ATOM 623 CD2 LEU A 947 20.307 -2.057 -15.939 1.00 12.15 C ATOM 0 H LEU A 947 17.993 -3.836 -17.018 1.00 21.54 H new ATOM 0 HA LEU A 947 20.480 -3.651 -18.215 1.00 40.04 H new ATOM 0 HB2 LEU A 947 19.799 -5.458 -15.882 1.00 72.33 H new ATOM 0 HB3 LEU A 947 21.318 -4.644 -16.197 1.00 72.33 H new ATOM 0 HG LEU A 947 18.710 -3.349 -15.364 1.00 53.42 H new ATOM 0 HD11 LEU A 947 19.972 -2.747 -13.337 1.00 21.32 H new ATOM 0 HD12 LEU A 947 19.880 -4.511 -13.559 1.00 21.32 H new ATOM 0 HD13 LEU A 947 21.382 -3.641 -13.955 1.00 21.32 H new ATOM 0 HD21 LEU A 947 19.987 -1.241 -15.291 1.00 12.15 H new ATOM 0 HD22 LEU A 947 21.396 -2.077 -15.987 1.00 12.15 H new ATOM 0 HD23 LEU A 947 19.903 -1.905 -16.940 1.00 12.15 H new ATOM 635 N GLN A 948 19.344 -6.760 -18.149 1.00 21.32 N ATOM 636 CA GLN A 948 19.503 -8.076 -18.758 1.00 11.34 C ATOM 637 C GLN A 948 19.015 -8.069 -20.203 1.00 20.24 C ATOM 638 O GLN A 948 19.539 -8.793 -21.049 1.00 22.40 O ATOM 639 CB GLN A 948 18.739 -9.129 -17.953 1.00 54.25 C ATOM 640 CG GLN A 948 19.153 -9.198 -16.493 1.00 2.14 C ATOM 641 CD GLN A 948 20.633 -9.479 -16.319 1.00 33.15 C ATOM 642 OE1 GLN A 948 21.420 -8.574 -16.040 1.00 32.10 O ATOM 643 NE2 GLN A 948 21.019 -10.739 -16.482 1.00 3.10 N ATOM 0 H GLN A 948 18.580 -6.695 -17.476 1.00 21.32 H new ATOM 0 HA GLN A 948 20.564 -8.326 -18.754 1.00 11.34 H new ATOM 0 HB2 GLN A 948 17.672 -8.914 -18.009 1.00 54.25 H new ATOM 0 HB3 GLN A 948 18.892 -10.106 -18.412 1.00 54.25 H new ATOM 0 HG2 GLN A 948 18.906 -8.256 -16.004 1.00 2.14 H new ATOM 0 HG3 GLN A 948 18.578 -9.977 -15.993 1.00 2.14 H new ATOM 0 HE21 GLN A 948 20.332 -11.457 -16.713 1.00 3.10 H new ATOM 0 HE22 GLN A 948 22.002 -10.989 -16.376 1.00 3.10 H new ATOM 652 N VAL A 949 18.008 -7.247 -20.478 1.00 53.13 N ATOM 653 CA VAL A 949 17.449 -7.145 -21.821 1.00 61.52 C ATOM 654 C VAL A 949 18.510 -6.713 -22.827 1.00 4.35 C ATOM 655 O VAL A 949 18.775 -7.411 -23.805 1.00 45.02 O ATOM 656 CB VAL A 949 16.277 -6.148 -21.868 1.00 14.24 C ATOM 657 CG1 VAL A 949 15.780 -5.973 -23.295 1.00 31.24 C ATOM 658 CG2 VAL A 949 15.150 -6.608 -20.955 1.00 0.53 C ATOM 0 H VAL A 949 17.562 -6.642 -19.789 1.00 53.13 H new ATOM 0 HA VAL A 949 17.083 -8.137 -22.087 1.00 61.52 H new ATOM 0 HB VAL A 949 16.632 -5.181 -21.512 1.00 14.24 H new ATOM 0 HG11 VAL A 949 14.952 -5.265 -23.307 1.00 31.24 H new ATOM 0 HG12 VAL A 949 16.590 -5.595 -23.919 1.00 31.24 H new ATOM 0 HG13 VAL A 949 15.442 -6.934 -23.683 1.00 31.24 H new ATOM 0 HG21 VAL A 949 14.330 -5.892 -21.000 1.00 0.53 H new ATOM 0 HG22 VAL A 949 14.796 -7.587 -21.279 1.00 0.53 H new ATOM 0 HG23 VAL A 949 15.516 -6.676 -19.931 1.00 0.53 H new ATOM 668 N VAL A 950 19.116 -5.556 -22.578 1.00 41.23 N ATOM 669 CA VAL A 950 20.151 -5.030 -23.461 1.00 15.41 C ATOM 670 C VAL A 950 21.305 -6.015 -23.604 1.00 34.52 C ATOM 671 O VAL A 950 21.884 -6.159 -24.681 1.00 31.30 O ATOM 672 CB VAL A 950 20.699 -3.686 -22.945 1.00 14.14 C ATOM 673 CG1 VAL A 950 21.852 -3.210 -23.815 1.00 11.24 C ATOM 674 CG2 VAL A 950 19.592 -2.643 -22.895 1.00 31.42 C ATOM 0 H VAL A 950 18.908 -4.965 -21.773 1.00 41.23 H new ATOM 0 HA VAL A 950 19.687 -4.875 -24.435 1.00 15.41 H new ATOM 0 HB VAL A 950 21.075 -3.832 -21.933 1.00 14.14 H new ATOM 0 HG11 VAL A 950 22.226 -2.259 -23.435 1.00 11.24 H new ATOM 0 HG12 VAL A 950 22.653 -3.949 -23.794 1.00 11.24 H new ATOM 0 HG13 VAL A 950 21.505 -3.080 -24.840 1.00 11.24 H new ATOM 0 HG21 VAL A 950 19.997 -1.700 -22.528 1.00 31.42 H new ATOM 0 HG22 VAL A 950 19.183 -2.498 -23.895 1.00 31.42 H new ATOM 0 HG23 VAL A 950 18.802 -2.983 -22.226 1.00 31.42 H new ATOM 684 N THR A 951 21.635 -6.694 -22.509 1.00 72.55 N ATOM 685 CA THR A 951 22.720 -7.667 -22.512 1.00 22.02 C ATOM 686 C THR A 951 22.400 -8.847 -23.423 1.00 14.53 C ATOM 687 O THR A 951 23.296 -9.446 -24.015 1.00 42.34 O ATOM 688 CB THR A 951 23.007 -8.192 -21.092 1.00 60.25 C ATOM 689 OG1 THR A 951 23.417 -7.114 -20.245 1.00 5.33 O ATOM 690 CG2 THR A 951 24.088 -9.262 -21.120 1.00 30.34 C ATOM 0 H THR A 951 21.166 -6.588 -21.609 1.00 72.55 H new ATOM 0 HA THR A 951 23.604 -7.152 -22.887 1.00 22.02 H new ATOM 0 HB THR A 951 22.091 -8.633 -20.699 1.00 60.25 H new ATOM 0 HG1 THR A 951 22.626 -6.653 -19.896 1.00 5.33 H new ATOM 0 HG21 THR A 951 24.274 -9.618 -20.107 1.00 30.34 H new ATOM 0 HG22 THR A 951 23.760 -10.094 -21.742 1.00 30.34 H new ATOM 0 HG23 THR A 951 25.006 -8.841 -21.531 1.00 30.34 H new ATOM 698 N GLU A 952 21.116 -9.174 -23.530 1.00 14.12 N ATOM 699 CA GLU A 952 20.678 -10.283 -24.369 1.00 42.14 C ATOM 700 C GLU A 952 20.801 -9.927 -25.848 1.00 52.12 C ATOM 701 O GLU A 952 21.508 -10.596 -26.603 1.00 50.10 O ATOM 702 CB GLU A 952 19.232 -10.659 -24.042 1.00 74.45 C ATOM 703 CG GLU A 952 18.871 -12.084 -24.430 1.00 1.24 C ATOM 704 CD GLU A 952 18.153 -12.162 -25.763 1.00 64.11 C ATOM 705 OE1 GLU A 952 18.680 -11.615 -26.754 1.00 40.30 O ATOM 706 OE2 GLU A 952 17.065 -12.772 -25.815 1.00 55.31 O ATOM 0 H GLU A 952 20.361 -8.687 -23.046 1.00 14.12 H new ATOM 0 HA GLU A 952 21.323 -11.138 -24.164 1.00 42.14 H new ATOM 0 HB2 GLU A 952 19.064 -10.529 -22.973 1.00 74.45 H new ATOM 0 HB3 GLU A 952 18.561 -9.970 -24.556 1.00 74.45 H new ATOM 0 HG2 GLU A 952 19.779 -12.685 -24.475 1.00 1.24 H new ATOM 0 HG3 GLU A 952 18.239 -12.518 -23.655 1.00 1.24 H new ATOM 713 N LEU A 953 20.107 -8.870 -26.256 1.00 1.24 N ATOM 714 CA LEU A 953 20.137 -8.424 -27.644 1.00 51.13 C ATOM 715 C LEU A 953 21.572 -8.234 -28.124 1.00 41.34 C ATOM 716 O LEU A 953 21.888 -8.489 -29.287 1.00 41.13 O ATOM 717 CB LEU A 953 19.358 -7.116 -27.797 1.00 63.24 C ATOM 718 CG LEU A 953 17.855 -7.255 -28.040 1.00 11.43 C ATOM 719 CD1 LEU A 953 17.237 -8.210 -27.031 1.00 24.42 C ATOM 720 CD2 LEU A 953 17.176 -5.894 -27.973 1.00 24.12 C ATOM 0 H LEU A 953 19.517 -8.306 -25.645 1.00 1.24 H new ATOM 0 HA LEU A 953 19.667 -9.193 -28.257 1.00 51.13 H new ATOM 0 HB2 LEU A 953 19.507 -6.520 -26.896 1.00 63.24 H new ATOM 0 HB3 LEU A 953 19.789 -6.554 -28.625 1.00 63.24 H new ATOM 0 HG LEU A 953 17.704 -7.666 -29.038 1.00 11.43 H new ATOM 0 HD11 LEU A 953 16.167 -8.296 -27.220 1.00 24.42 H new ATOM 0 HD12 LEU A 953 17.702 -9.191 -27.126 1.00 24.42 H new ATOM 0 HD13 LEU A 953 17.398 -7.828 -26.023 1.00 24.42 H new ATOM 0 HD21 LEU A 953 16.107 -6.012 -28.148 1.00 24.12 H new ATOM 0 HD22 LEU A 953 17.336 -5.456 -26.988 1.00 24.12 H new ATOM 0 HD23 LEU A 953 17.598 -5.239 -28.735 1.00 24.12 H new ATOM 732 N LEU A 954 22.438 -7.786 -27.222 1.00 31.22 N ATOM 733 CA LEU A 954 23.841 -7.564 -27.552 1.00 44.11 C ATOM 734 C LEU A 954 24.548 -8.884 -27.843 1.00 51.04 C ATOM 735 O LEU A 954 25.041 -9.104 -28.949 1.00 55.35 O ATOM 736 CB LEU A 954 24.547 -6.837 -26.406 1.00 14.12 C ATOM 737 CG LEU A 954 24.255 -5.341 -26.279 1.00 61.24 C ATOM 738 CD1 LEU A 954 24.696 -4.825 -24.919 1.00 13.34 C ATOM 739 CD2 LEU A 954 24.944 -4.568 -27.394 1.00 50.41 C ATOM 0 H LEU A 954 22.193 -7.569 -26.256 1.00 31.22 H new ATOM 0 HA LEU A 954 23.883 -6.945 -28.448 1.00 44.11 H new ATOM 0 HB2 LEU A 954 24.270 -7.322 -25.470 1.00 14.12 H new ATOM 0 HB3 LEU A 954 25.622 -6.968 -26.527 1.00 14.12 H new ATOM 0 HG LEU A 954 23.179 -5.191 -26.370 1.00 61.24 H new ATOM 0 HD11 LEU A 954 24.480 -3.759 -24.847 1.00 13.34 H new ATOM 0 HD12 LEU A 954 24.157 -5.358 -24.135 1.00 13.34 H new ATOM 0 HD13 LEU A 954 25.767 -4.988 -24.798 1.00 13.34 H new ATOM 0 HD21 LEU A 954 24.726 -3.505 -27.289 1.00 50.41 H new ATOM 0 HD22 LEU A 954 26.021 -4.725 -27.334 1.00 50.41 H new ATOM 0 HD23 LEU A 954 24.579 -4.919 -28.359 1.00 50.41 H new ATOM 751 N GLN A 955 24.591 -9.759 -26.844 1.00 61.20 N ATOM 752 CA GLN A 955 25.236 -11.058 -26.994 1.00 61.23 C ATOM 753 C GLN A 955 24.632 -11.834 -28.160 1.00 32.42 C ATOM 754 O GLN A 955 25.349 -12.306 -29.043 1.00 74.24 O ATOM 755 CB GLN A 955 25.105 -11.869 -25.704 1.00 12.34 C ATOM 756 CG GLN A 955 25.999 -11.371 -24.579 1.00 75.01 C ATOM 757 CD GLN A 955 26.151 -12.385 -23.463 1.00 21.14 C ATOM 758 OE1 GLN A 955 27.171 -13.068 -23.364 1.00 32.12 O ATOM 759 NE2 GLN A 955 25.135 -12.489 -22.614 1.00 3.43 N ATOM 0 H GLN A 955 24.187 -9.592 -25.922 1.00 61.20 H new ATOM 0 HA GLN A 955 26.292 -10.889 -27.202 1.00 61.23 H new ATOM 0 HB2 GLN A 955 24.067 -11.842 -25.371 1.00 12.34 H new ATOM 0 HB3 GLN A 955 25.345 -12.911 -25.914 1.00 12.34 H new ATOM 0 HG2 GLN A 955 26.983 -11.129 -24.982 1.00 75.01 H new ATOM 0 HG3 GLN A 955 25.585 -10.448 -24.173 1.00 75.01 H new ATOM 0 HE21 GLN A 955 24.309 -11.903 -22.733 1.00 3.43 H new ATOM 0 HE22 GLN A 955 25.181 -13.155 -21.843 1.00 3.43 H new ATOM 768 N LEU A 956 23.310 -11.964 -28.156 1.00 13.33 N ATOM 769 CA LEU A 956 22.608 -12.683 -29.213 1.00 61.50 C ATOM 770 C LEU A 956 23.021 -12.169 -30.588 1.00 71.14 C ATOM 771 O LEU A 956 23.032 -12.918 -31.564 1.00 73.03 O ATOM 772 CB LEU A 956 21.095 -12.542 -29.036 1.00 63.21 C ATOM 773 CG LEU A 956 20.231 -13.121 -30.157 1.00 64.01 C ATOM 774 CD1 LEU A 956 20.383 -14.633 -30.221 1.00 52.13 C ATOM 775 CD2 LEU A 956 18.772 -12.737 -29.958 1.00 63.33 C ATOM 0 H LEU A 956 22.702 -11.581 -27.432 1.00 13.33 H new ATOM 0 HA LEU A 956 22.879 -13.737 -29.143 1.00 61.50 H new ATOM 0 HB2 LEU A 956 20.812 -13.025 -28.100 1.00 63.21 H new ATOM 0 HB3 LEU A 956 20.859 -11.483 -28.932 1.00 63.21 H new ATOM 0 HG LEU A 956 20.570 -12.702 -31.105 1.00 64.01 H new ATOM 0 HD11 LEU A 956 19.761 -15.028 -31.024 1.00 52.13 H new ATOM 0 HD12 LEU A 956 21.426 -14.886 -30.412 1.00 52.13 H new ATOM 0 HD13 LEU A 956 20.071 -15.070 -29.273 1.00 52.13 H new ATOM 0 HD21 LEU A 956 18.172 -13.157 -30.765 1.00 63.33 H new ATOM 0 HD22 LEU A 956 18.420 -13.127 -29.003 1.00 63.33 H new ATOM 0 HD23 LEU A 956 18.678 -11.651 -29.964 1.00 63.33 H new ATOM 787 N ASN A 957 23.362 -10.886 -30.657 1.00 20.41 N ATOM 788 CA ASN A 957 23.778 -10.272 -31.913 1.00 34.04 C ATOM 789 C ASN A 957 24.972 -11.010 -32.510 1.00 75.24 C ATOM 790 O ASN A 957 25.100 -11.120 -33.729 1.00 15.10 O ATOM 791 CB ASN A 957 24.132 -8.800 -31.692 1.00 22.24 C ATOM 792 CG ASN A 957 24.058 -7.989 -32.971 1.00 34.12 C ATOM 793 OD1 ASN A 957 23.848 -8.535 -34.054 1.00 64.40 O ATOM 794 ND2 ASN A 957 24.229 -6.678 -32.851 1.00 1.25 N ATOM 0 H ASN A 957 23.358 -10.252 -29.858 1.00 20.41 H new ATOM 0 HA ASN A 957 22.946 -10.337 -32.614 1.00 34.04 H new ATOM 0 HB2 ASN A 957 23.453 -8.373 -30.954 1.00 22.24 H new ATOM 0 HB3 ASN A 957 25.138 -8.729 -31.278 1.00 22.24 H new ATOM 0 HD21 ASN A 957 24.189 -6.081 -33.677 1.00 1.25 H new ATOM 0 HD22 ASN A 957 24.401 -6.268 -31.933 1.00 1.25 H new ATOM 801 N ASN A 958 25.843 -11.515 -31.643 1.00 11.00 N ATOM 802 CA ASN A 958 27.027 -12.243 -32.085 1.00 32.01 C ATOM 803 C ASN A 958 26.701 -13.713 -32.330 1.00 23.31 C ATOM 804 O ASN A 958 27.015 -14.261 -33.386 1.00 32.22 O ATOM 805 CB ASN A 958 28.143 -12.123 -31.045 1.00 53.41 C ATOM 806 CG ASN A 958 29.344 -12.985 -31.384 1.00 13.55 C ATOM 807 OD1 ASN A 958 29.630 -13.238 -32.554 1.00 34.42 O ATOM 808 ND2 ASN A 958 30.053 -13.439 -30.357 1.00 64.33 N ATOM 0 H ASN A 958 25.751 -11.434 -30.630 1.00 11.00 H new ATOM 0 HA ASN A 958 27.365 -11.803 -33.023 1.00 32.01 H new ATOM 0 HB2 ASN A 958 28.456 -11.082 -30.970 1.00 53.41 H new ATOM 0 HB3 ASN A 958 27.757 -12.411 -30.067 1.00 53.41 H new ATOM 0 HD21 ASN A 958 30.873 -14.023 -30.522 1.00 64.33 H new ATOM 0 HD22 ASN A 958 29.778 -13.203 -29.403 1.00 64.33 H new ATOM 815 N ASN A 959 26.070 -14.346 -31.346 1.00 54.24 N ATOM 816 CA ASN A 959 25.701 -15.753 -31.455 1.00 1.31 C ATOM 817 C ASN A 959 24.925 -16.014 -32.742 1.00 65.14 C ATOM 818 O ASN A 959 25.206 -16.971 -33.464 1.00 1.21 O ATOM 819 CB ASN A 959 24.864 -16.177 -30.247 1.00 14.33 C ATOM 820 CG ASN A 959 25.715 -16.460 -29.024 1.00 13.11 C ATOM 821 OD1 ASN A 959 26.871 -16.045 -28.949 1.00 43.23 O ATOM 822 ND2 ASN A 959 25.144 -17.170 -28.058 1.00 22.51 N ATOM 0 H ASN A 959 25.804 -13.907 -30.465 1.00 54.24 H new ATOM 0 HA ASN A 959 26.618 -16.342 -31.479 1.00 1.31 H new ATOM 0 HB2 ASN A 959 24.146 -15.391 -30.012 1.00 14.33 H new ATOM 0 HB3 ASN A 959 24.290 -17.068 -30.501 1.00 14.33 H new ATOM 0 HD21 ASN A 959 25.667 -17.392 -27.211 1.00 22.51 H new ATOM 0 HD22 ASN A 959 24.182 -17.494 -28.163 1.00 22.51 H new TER 829 ASN A 959