USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1155 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: A1046 MET CE :methyl 164:sc= -3.97! (180deg=-2.32!) USER MOD Set 1.2: A1049 GLN : amide:sc= -0.0952 K(o=-13,f=-19!) USER MOD Set 1.3: A1053 HIS :FLIP no HD1:sc= -8.97! C(o=-16!,f=-13!) USER MOD Set 2.1: A1041 GLN : amide:sc= 1.93 K(o=2.7,f=-9.2!) USER MOD Set 2.2: A1045 LYS NZ :NH3+ -165:sc= 0.779 (180deg=-0.207) USER MOD Set 3.1: A 992 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Set 3.2: A 993 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 928 ASN : amide:sc= -1.98 K(o=-0.84,f=-1.6) USER MOD Set 4.2: A 968 THR OG1 : rot 62:sc= 1.14 USER MOD Single : A 909 SER OG : rot 180:sc= 0 USER MOD Single : A 913 SER OG : rot 16:sc= 0.624 USER MOD Single : A 921 SER OG : rot -109:sc= 0.518 USER MOD Single : A 922 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.8) USER MOD Single : A 924 LYS NZ :NH3+ -166:sc= 1.08 (180deg=0.45) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 180:sc= 0 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -48:sc= 1.09 USER MOD Single : A 941 SER OG : rot 180:sc= 0.00983 USER MOD Single : A 942 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.11) USER MOD Single : A 944 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 951 TYR OH : rot 25:sc= 0.215 USER MOD Single : A 954 MET CE :methyl -161:sc= -6.99! (180deg=-9.48!) USER MOD Single : A 956 LYS NZ :NH3+ 161:sc= -0.577 (180deg=-1.07) USER MOD Single : A 964 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 972 SER OG : rot 83:sc= 1.31 USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 980 THR OG1 : rot 100:sc= -2.08 USER MOD Single : A 981 HIS :FLIP no HD1:sc= -0.0481 F(o=-1.6,f=-0.048) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN :FLIP amide:sc= -0.708 F(o=-5.5!,f=-0.71) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 ASN : amide:sc= 1.11 K(o=1.1,f=-0.1) USER MOD Single : A1001 LYS NZ :NH3+ -138:sc= -0.0421 (180deg=-2.13!) USER MOD Single : A1002 MET CE :methyl -172:sc= -0.567 (180deg=-0.74) USER MOD Single : A1003 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.163) USER MOD Single : A1006 GLN : amide:sc= 0.38 K(o=0.38,f=-1.4!) USER MOD Single : A1007 GLN : amide:sc= -2.73! C(o=-2.7!,f=-4.5!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1011 THR OG1 : rot 180:sc=-0.00557 USER MOD Single : A1012 SER OG : rot 180:sc= 0.00778 USER MOD Single : A1014 GLN :FLIP amide:sc= -0.598 F(o=-2.7!,f=-0.6) USER MOD Single : A1015 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= -0.44 USER MOD Single : A1018 LYS NZ :NH3+ -164:sc= -4.86! (180deg=-7.28!) USER MOD Single : A1019 LYS NZ :NH3+ -166:sc= -0.0484 (180deg=-0.36) USER MOD Single : A1020 GLN :FLIP amide:sc= -0.49 F(o=-3.4!,f=-0.49) USER MOD Single : A1021 MET CE :methyl 147:sc= -2.46! (180deg=-2.65) USER MOD Single : A1023 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A1026 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0022) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1050 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 1.665 -26.281 -25.779 1.00 0.00 N ATOM 2 CA GLY A 908 0.370 -26.439 -26.481 1.00 0.00 C ATOM 3 C GLY A 908 -0.768 -26.620 -25.506 1.00 0.00 C ATOM 4 O GLY A 908 -0.787 -25.971 -24.457 1.00 0.00 O ATOM 0 HA2 GLY A 908 0.182 -25.563 -27.103 1.00 0.00 H new ATOM 0 HA3 GLY A 908 0.419 -27.299 -27.149 1.00 0.00 H new ATOM 9 N SER A 909 -1.701 -27.507 -25.848 1.00 0.00 N ATOM 10 CA SER A 909 -2.855 -27.816 -25.005 1.00 0.00 C ATOM 11 C SER A 909 -3.835 -26.642 -24.944 1.00 0.00 C ATOM 12 O SER A 909 -3.456 -25.507 -24.647 1.00 0.00 O ATOM 13 CB SER A 909 -2.402 -28.208 -23.594 1.00 0.00 C ATOM 14 OG SER A 909 -1.502 -29.304 -23.640 1.00 0.00 O ATOM 0 H SER A 909 -1.678 -28.034 -26.721 1.00 0.00 H new ATOM 0 HA SER A 909 -3.375 -28.662 -25.454 1.00 0.00 H new ATOM 0 HB2 SER A 909 -1.921 -27.357 -23.112 1.00 0.00 H new ATOM 0 HB3 SER A 909 -3.270 -28.469 -22.988 1.00 0.00 H new ATOM 0 HG SER A 909 -1.224 -29.537 -22.730 1.00 0.00 H new ATOM 20 N PRO A 910 -5.117 -26.902 -25.236 1.00 0.00 N ATOM 21 CA PRO A 910 -6.170 -25.879 -25.189 1.00 0.00 C ATOM 22 C PRO A 910 -6.607 -25.567 -23.756 1.00 0.00 C ATOM 23 O PRO A 910 -7.799 -25.488 -23.454 1.00 0.00 O ATOM 24 CB PRO A 910 -7.308 -26.531 -25.975 1.00 0.00 C ATOM 25 CG PRO A 910 -7.127 -27.991 -25.754 1.00 0.00 C ATOM 26 CD PRO A 910 -5.644 -28.217 -25.650 1.00 0.00 C ATOM 0 HA PRO A 910 -5.844 -24.922 -25.596 1.00 0.00 H new ATOM 0 HB2 PRO A 910 -8.281 -26.193 -25.618 1.00 0.00 H new ATOM 0 HB3 PRO A 910 -7.253 -26.280 -27.034 1.00 0.00 H new ATOM 0 HG2 PRO A 910 -7.635 -28.313 -24.845 1.00 0.00 H new ATOM 0 HG3 PRO A 910 -7.552 -28.565 -26.577 1.00 0.00 H new ATOM 0 HD2 PRO A 910 -5.407 -28.991 -24.920 1.00 0.00 H new ATOM 0 HD3 PRO A 910 -5.220 -28.536 -26.602 1.00 0.00 H new ATOM 34 N GLY A 911 -5.632 -25.367 -22.885 1.00 0.00 N ATOM 35 CA GLY A 911 -5.913 -25.129 -21.489 1.00 0.00 C ATOM 36 C GLY A 911 -5.315 -26.211 -20.622 1.00 0.00 C ATOM 37 O GLY A 911 -4.094 -26.383 -20.599 1.00 0.00 O ATOM 0 H GLY A 911 -4.641 -25.366 -23.125 1.00 0.00 H new ATOM 0 HA2 GLY A 911 -5.512 -24.159 -21.194 1.00 0.00 H new ATOM 0 HA3 GLY A 911 -6.991 -25.088 -21.334 1.00 0.00 H new ATOM 40 N ILE A 912 -6.182 -26.955 -19.937 1.00 0.00 N ATOM 41 CA ILE A 912 -5.771 -28.065 -19.078 1.00 0.00 C ATOM 42 C ILE A 912 -4.960 -27.565 -17.882 1.00 0.00 C ATOM 43 O ILE A 912 -3.779 -27.229 -18.016 1.00 0.00 O ATOM 44 CB ILE A 912 -4.967 -29.134 -19.857 1.00 0.00 C ATOM 45 CG1 ILE A 912 -5.758 -29.614 -21.082 1.00 0.00 C ATOM 46 CG2 ILE A 912 -4.624 -30.314 -18.955 1.00 0.00 C ATOM 47 CD1 ILE A 912 -7.093 -30.244 -20.741 1.00 0.00 C ATOM 0 H ILE A 912 -7.191 -26.805 -19.962 1.00 0.00 H new ATOM 0 HA ILE A 912 -6.684 -28.535 -18.712 1.00 0.00 H new ATOM 0 HB ILE A 912 -4.037 -28.679 -20.198 1.00 0.00 H new ATOM 0 HG12 ILE A 912 -5.926 -28.768 -21.748 1.00 0.00 H new ATOM 0 HG13 ILE A 912 -5.155 -30.337 -21.631 1.00 0.00 H new ATOM 0 HG21 ILE A 912 -4.059 -31.054 -19.522 1.00 0.00 H new ATOM 0 HG22 ILE A 912 -4.024 -29.967 -18.114 1.00 0.00 H new ATOM 0 HG23 ILE A 912 -5.543 -30.767 -18.583 1.00 0.00 H new ATOM 0 HD11 ILE A 912 -7.592 -30.558 -21.658 1.00 0.00 H new ATOM 0 HD12 ILE A 912 -6.933 -31.111 -20.100 1.00 0.00 H new ATOM 0 HD13 ILE A 912 -7.716 -29.517 -20.219 1.00 0.00 H new ATOM 59 N SER A 913 -5.627 -27.503 -16.727 1.00 0.00 N ATOM 60 CA SER A 913 -5.042 -27.015 -15.471 1.00 0.00 C ATOM 61 C SER A 913 -4.319 -25.681 -15.666 1.00 0.00 C ATOM 62 O SER A 913 -3.274 -25.427 -15.066 1.00 0.00 O ATOM 63 CB SER A 913 -4.108 -28.064 -14.841 1.00 0.00 C ATOM 64 OG SER A 913 -3.109 -28.517 -15.743 1.00 0.00 O ATOM 0 H SER A 913 -6.600 -27.793 -16.634 1.00 0.00 H new ATOM 0 HA SER A 913 -5.866 -26.844 -14.778 1.00 0.00 H new ATOM 0 HB2 SER A 913 -3.630 -27.637 -13.960 1.00 0.00 H new ATOM 0 HB3 SER A 913 -4.699 -28.915 -14.502 1.00 0.00 H new ATOM 0 HG SER A 913 -3.045 -27.897 -16.499 1.00 0.00 H new ATOM 70 N GLY A 914 -4.904 -24.816 -16.491 1.00 0.00 N ATOM 71 CA GLY A 914 -4.308 -23.524 -16.767 1.00 0.00 C ATOM 72 C GLY A 914 -4.649 -22.490 -15.713 1.00 0.00 C ATOM 73 O GLY A 914 -4.211 -21.341 -15.797 1.00 0.00 O ATOM 0 H GLY A 914 -5.785 -24.990 -16.975 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -3.225 -23.633 -16.828 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -4.648 -23.171 -17.741 1.00 0.00 H new ATOM 75 N GLY A 915 -5.430 -22.894 -14.724 1.00 0.00 N ATOM 76 CA GLY A 915 -5.800 -21.997 -13.650 1.00 0.00 C ATOM 77 C GLY A 915 -5.130 -22.366 -12.345 1.00 0.00 C ATOM 78 O GLY A 915 -4.941 -23.549 -12.048 1.00 0.00 O ATOM 0 H GLY A 915 -5.817 -23.834 -14.646 1.00 0.00 H new ATOM 0 HA2 GLY A 915 -5.529 -20.977 -13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 915 -6.882 -22.015 -13.519 1.00 0.00 H new ATOM 81 N GLY A 916 -4.767 -21.356 -11.567 1.00 0.00 N ATOM 82 CA GLY A 916 -4.131 -21.591 -10.284 1.00 0.00 C ATOM 83 C GLY A 916 -2.646 -21.861 -10.411 1.00 0.00 C ATOM 84 O GLY A 916 -2.044 -22.481 -9.535 1.00 0.00 O ATOM 0 H GLY A 916 -4.902 -20.373 -11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 916 -4.285 -20.724 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 916 -4.610 -22.439 -9.795 1.00 0.00 H new ATOM 87 N GLY A 917 -2.054 -21.390 -11.501 1.00 0.00 N ATOM 88 CA GLY A 917 -0.642 -21.602 -11.726 1.00 0.00 C ATOM 89 C GLY A 917 0.105 -20.305 -11.945 1.00 0.00 C ATOM 90 O GLY A 917 -0.154 -19.586 -12.914 1.00 0.00 O ATOM 0 H GLY A 917 -2.530 -20.864 -12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 917 -0.214 -22.125 -10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 917 -0.507 -22.247 -12.594 1.00 0.00 H new ATOM 93 N GLY A 918 1.040 -20.012 -11.054 1.00 0.00 N ATOM 94 CA GLY A 918 1.815 -18.792 -11.163 1.00 0.00 C ATOM 95 C GLY A 918 1.124 -17.585 -10.548 1.00 0.00 C ATOM 96 O GLY A 918 -0.044 -17.656 -10.161 1.00 0.00 O ATOM 0 H GLY A 918 1.277 -20.599 -10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 918 2.779 -18.937 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 918 2.016 -18.590 -12.215 1.00 0.00 H new ATOM 99 N ILE A 919 1.867 -16.489 -10.441 1.00 0.00 N ATOM 100 CA ILE A 919 1.346 -15.215 -9.971 1.00 0.00 C ATOM 101 C ILE A 919 0.239 -14.728 -10.904 1.00 0.00 C ATOM 102 O ILE A 919 0.473 -14.475 -12.089 1.00 0.00 O ATOM 103 CB ILE A 919 2.489 -14.166 -9.883 1.00 0.00 C ATOM 104 CG1 ILE A 919 3.486 -14.518 -8.774 1.00 0.00 C ATOM 105 CG2 ILE A 919 1.953 -12.765 -9.674 1.00 0.00 C ATOM 106 CD1 ILE A 919 4.433 -15.655 -9.112 1.00 0.00 C ATOM 0 H ILE A 919 2.858 -16.462 -10.681 1.00 0.00 H new ATOM 0 HA ILE A 919 0.927 -15.349 -8.974 1.00 0.00 H new ATOM 0 HB ILE A 919 3.010 -14.190 -10.840 1.00 0.00 H new ATOM 0 HG12 ILE A 919 4.074 -13.631 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 919 2.930 -14.781 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 919 2.784 -12.062 -9.618 1.00 0.00 H new ATOM 0 HG22 ILE A 919 1.305 -12.495 -10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 919 1.383 -12.728 -8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 919 5.102 -15.834 -8.270 1.00 0.00 H new ATOM 0 HD12 ILE A 919 3.858 -16.558 -9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 919 5.020 -15.390 -9.991 1.00 0.00 H new ATOM 118 N ARG A 920 -0.967 -14.594 -10.352 1.00 0.00 N ATOM 119 CA ARG A 920 -2.158 -14.365 -11.159 1.00 0.00 C ATOM 120 C ARG A 920 -3.364 -14.035 -10.266 1.00 0.00 C ATOM 121 O ARG A 920 -4.450 -14.587 -10.446 1.00 0.00 O ATOM 122 CB ARG A 920 -2.451 -15.634 -11.974 1.00 0.00 C ATOM 123 CG ARG A 920 -3.018 -15.387 -13.370 1.00 0.00 C ATOM 124 CD ARG A 920 -4.347 -14.655 -13.330 1.00 0.00 C ATOM 125 NE ARG A 920 -5.063 -14.737 -14.600 1.00 0.00 N ATOM 126 CZ ARG A 920 -6.054 -13.917 -14.946 1.00 0.00 C ATOM 127 NH1 ARG A 920 -6.365 -12.879 -14.174 1.00 0.00 N ATOM 128 NH2 ARG A 920 -6.715 -14.108 -16.079 1.00 0.00 N ATOM 0 H ARG A 920 -1.142 -14.641 -9.348 1.00 0.00 H new ATOM 0 HA ARG A 920 -1.984 -13.519 -11.824 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -1.529 -16.208 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -3.155 -16.252 -11.416 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -2.303 -14.806 -13.953 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -3.146 -16.341 -13.882 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -4.967 -15.075 -12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -4.175 -13.608 -13.079 1.00 0.00 H new ATOM 0 HE ARG A 920 -4.788 -15.464 -15.260 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -5.844 -12.709 -13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -7.125 -12.253 -14.442 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -6.466 -14.886 -16.690 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -7.473 -13.477 -16.340 1.00 0.00 H new ATOM 142 N SER A 921 -3.188 -13.152 -9.299 1.00 0.00 N ATOM 143 CA SER A 921 -4.294 -12.776 -8.429 1.00 0.00 C ATOM 144 C SER A 921 -4.668 -11.309 -8.623 1.00 0.00 C ATOM 145 O SER A 921 -3.819 -10.461 -8.911 1.00 0.00 O ATOM 146 CB SER A 921 -3.950 -13.043 -6.957 1.00 0.00 C ATOM 147 OG SER A 921 -5.119 -13.028 -6.151 1.00 0.00 O ATOM 0 H SER A 921 -2.304 -12.686 -9.096 1.00 0.00 H new ATOM 0 HA SER A 921 -5.152 -13.391 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 921 -3.453 -14.009 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 921 -3.249 -12.288 -6.601 1.00 0.00 H new ATOM 0 HG SER A 921 -5.119 -12.225 -5.589 1.00 0.00 H new ATOM 153 N ASN A 922 -5.955 -11.033 -8.496 1.00 0.00 N ATOM 154 CA ASN A 922 -6.478 -9.676 -8.543 1.00 0.00 C ATOM 155 C ASN A 922 -7.711 -9.590 -7.652 1.00 0.00 C ATOM 156 O ASN A 922 -8.844 -9.766 -8.092 1.00 0.00 O ATOM 157 CB ASN A 922 -6.779 -9.232 -9.989 1.00 0.00 C ATOM 158 CG ASN A 922 -7.753 -10.133 -10.733 1.00 0.00 C ATOM 159 OD1 ASN A 922 -8.957 -9.867 -10.771 1.00 0.00 O ATOM 160 ND2 ASN A 922 -7.242 -11.187 -11.352 1.00 0.00 N ATOM 0 H ASN A 922 -6.671 -11.746 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 922 -5.722 -8.986 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -7.182 -8.220 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -5.843 -9.191 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -7.850 -11.811 -11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -6.241 -11.375 -11.298 1.00 0.00 H new ATOM 167 N ASP A 923 -7.467 -9.360 -6.376 1.00 0.00 N ATOM 168 CA ASP A 923 -8.517 -9.421 -5.370 1.00 0.00 C ATOM 169 C ASP A 923 -8.590 -8.132 -4.568 1.00 0.00 C ATOM 170 O ASP A 923 -8.115 -7.096 -5.001 1.00 0.00 O ATOM 171 CB ASP A 923 -8.266 -10.602 -4.434 1.00 0.00 C ATOM 172 CG ASP A 923 -6.938 -10.492 -3.714 1.00 0.00 C ATOM 173 OD1 ASP A 923 -5.918 -10.949 -4.271 1.00 0.00 O ATOM 174 OD2 ASP A 923 -6.919 -9.932 -2.597 1.00 0.00 O ATOM 0 H ASP A 923 -6.545 -9.127 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.470 -9.554 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -9.071 -10.659 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -8.290 -11.529 -5.007 1.00 0.00 H new ATOM 179 N LYS A 924 -9.148 -8.222 -3.376 1.00 0.00 N ATOM 180 CA LYS A 924 -9.386 -7.047 -2.549 1.00 0.00 C ATOM 181 C LYS A 924 -8.119 -6.223 -2.329 1.00 0.00 C ATOM 182 O LYS A 924 -8.198 -4.999 -2.228 1.00 0.00 O ATOM 183 CB LYS A 924 -9.973 -7.438 -1.205 1.00 0.00 C ATOM 184 CG LYS A 924 -11.418 -7.890 -1.274 1.00 0.00 C ATOM 185 CD LYS A 924 -12.258 -6.828 -1.952 1.00 0.00 C ATOM 186 CE LYS A 924 -13.747 -7.072 -1.797 1.00 0.00 C ATOM 187 NZ LYS A 924 -14.536 -6.001 -2.462 1.00 0.00 N ATOM 0 H LYS A 924 -9.448 -9.101 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 924 -10.100 -6.429 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.372 -8.240 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -9.900 -6.588 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.489 -8.828 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -11.797 -8.080 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.009 -5.852 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -12.008 -6.795 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.007 -8.040 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -14.004 -7.114 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -15.526 -6.053 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.142 -5.072 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -14.493 -6.128 -3.493 1.00 0.00 H new ATOM 201 N VAL A 925 -6.958 -6.870 -2.288 1.00 0.00 N ATOM 202 CA VAL A 925 -5.697 -6.139 -2.168 1.00 0.00 C ATOM 203 C VAL A 925 -5.544 -5.142 -3.319 1.00 0.00 C ATOM 204 O VAL A 925 -5.019 -4.052 -3.146 1.00 0.00 O ATOM 205 CB VAL A 925 -4.472 -7.081 -2.137 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.550 -8.016 -0.949 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.363 -7.880 -3.429 1.00 0.00 C ATOM 0 H VAL A 925 -6.862 -7.884 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 925 -5.732 -5.605 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.578 -6.465 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.679 -8.671 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.571 -7.433 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.456 -8.617 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.493 -8.534 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.262 -8.482 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.256 -7.197 -4.271 1.00 0.00 H new ATOM 217 N TYR A 926 -6.077 -5.503 -4.470 1.00 0.00 N ATOM 218 CA TYR A 926 -6.007 -4.658 -5.663 1.00 0.00 C ATOM 219 C TYR A 926 -6.965 -3.477 -5.563 1.00 0.00 C ATOM 220 O TYR A 926 -6.595 -2.374 -5.943 1.00 0.00 O ATOM 221 CB TYR A 926 -6.274 -5.458 -6.960 1.00 0.00 C ATOM 222 CG TYR A 926 -7.601 -5.125 -7.622 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.756 -5.803 -7.274 1.00 0.00 C ATOM 224 CD2 TYR A 926 -7.701 -4.101 -8.554 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.972 -5.485 -7.823 1.00 0.00 C ATOM 226 CE2 TYR A 926 -8.917 -3.775 -9.121 1.00 0.00 C ATOM 227 CZ TYR A 926 -10.054 -4.468 -8.751 1.00 0.00 C ATOM 228 OH TYR A 926 -11.273 -4.137 -9.299 1.00 0.00 O ATOM 0 H TYR A 926 -6.570 -6.384 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.988 -4.275 -5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.467 -5.266 -7.667 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -6.250 -6.523 -6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.698 -6.603 -6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.816 -3.552 -8.839 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.859 -6.027 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -8.979 -2.981 -9.851 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.157 -3.400 -9.934 1.00 0.00 H new ATOM 238 N GLU A 927 -8.175 -3.665 -5.077 1.00 0.00 N ATOM 239 CA GLU A 927 -9.086 -2.531 -4.980 1.00 0.00 C ATOM 240 C GLU A 927 -8.732 -1.634 -3.798 1.00 0.00 C ATOM 241 O GLU A 927 -9.029 -0.441 -3.825 1.00 0.00 O ATOM 242 CB GLU A 927 -10.545 -2.939 -4.955 1.00 0.00 C ATOM 243 CG GLU A 927 -10.876 -3.805 -3.774 1.00 0.00 C ATOM 244 CD GLU A 927 -12.366 -4.026 -3.614 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.015 -4.447 -4.594 1.00 0.00 O ATOM 246 OE2 GLU A 927 -12.895 -3.805 -2.505 1.00 0.00 O ATOM 0 H GLU A 927 -8.546 -4.558 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.952 -1.952 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -11.169 -2.046 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.786 -3.474 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.379 -4.769 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.481 -3.345 -2.868 1.00 0.00 H new ATOM 253 N ASN A 928 -8.093 -2.165 -2.774 1.00 0.00 N ATOM 254 CA ASN A 928 -7.496 -1.315 -1.752 1.00 0.00 C ATOM 255 C ASN A 928 -6.345 -0.502 -2.343 1.00 0.00 C ATOM 256 O ASN A 928 -6.060 0.600 -1.898 1.00 0.00 O ATOM 257 CB ASN A 928 -7.080 -2.148 -0.563 1.00 0.00 C ATOM 258 CG ASN A 928 -8.305 -2.766 0.051 1.00 0.00 C ATOM 259 OD1 ASN A 928 -9.357 -2.133 0.140 1.00 0.00 O ATOM 260 ND2 ASN A 928 -8.202 -4.016 0.405 1.00 0.00 N ATOM 0 H ASN A 928 -7.972 -3.167 -2.624 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.233 -0.597 -1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.381 -2.925 -0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -6.563 -1.528 0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.014 -4.510 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -7.309 -4.500 0.313 1.00 0.00 H new ATOM 267 N VAL A 929 -5.712 -1.065 -3.369 1.00 0.00 N ATOM 268 CA VAL A 929 -4.690 -0.373 -4.166 1.00 0.00 C ATOM 269 C VAL A 929 -5.326 0.572 -5.185 1.00 0.00 C ATOM 270 O VAL A 929 -4.775 1.650 -5.417 1.00 0.00 O ATOM 271 CB VAL A 929 -3.742 -1.353 -4.898 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.833 -0.613 -5.867 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.920 -2.148 -3.900 1.00 0.00 C ATOM 0 H VAL A 929 -5.892 -2.021 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.097 0.204 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.355 -2.047 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.178 -1.326 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.439 -0.094 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.230 0.112 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.260 -2.831 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.323 -1.466 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.586 -2.719 -3.253 1.00 0.00 H new ATOM 283 N THR A 930 -6.462 0.257 -5.764 1.00 0.00 N ATOM 284 CA THR A 930 -7.106 1.244 -6.608 1.00 0.00 C ATOM 285 C THR A 930 -7.589 2.393 -5.720 1.00 0.00 C ATOM 286 O THR A 930 -7.612 3.545 -6.131 1.00 0.00 O ATOM 287 CB THR A 930 -8.262 0.663 -7.465 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.429 1.465 -8.643 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.582 0.620 -6.705 1.00 0.00 C ATOM 0 H THR A 930 -6.946 -0.637 -5.675 1.00 0.00 H new ATOM 0 HA THR A 930 -6.375 1.605 -7.332 1.00 0.00 H new ATOM 0 HB THR A 930 -7.993 -0.361 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 930 -9.158 1.099 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.359 0.206 -7.348 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.472 -0.006 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.861 1.630 -6.403 1.00 0.00 H new ATOM 297 N GLY A 931 -7.926 2.052 -4.478 1.00 0.00 N ATOM 298 CA GLY A 931 -8.290 3.051 -3.498 1.00 0.00 C ATOM 299 C GLY A 931 -7.095 3.857 -2.992 1.00 0.00 C ATOM 300 O GLY A 931 -7.114 5.090 -3.034 1.00 0.00 O ATOM 0 H GLY A 931 -7.952 1.092 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.021 3.731 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.775 2.563 -2.653 1.00 0.00 H new ATOM 304 N LEU A 932 -6.056 3.166 -2.521 1.00 0.00 N ATOM 305 CA LEU A 932 -4.863 3.829 -1.975 1.00 0.00 C ATOM 306 C LEU A 932 -4.086 4.618 -3.035 1.00 0.00 C ATOM 307 O LEU A 932 -3.770 5.787 -2.829 1.00 0.00 O ATOM 308 CB LEU A 932 -3.947 2.804 -1.260 1.00 0.00 C ATOM 309 CG LEU A 932 -2.918 2.039 -2.101 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.592 2.790 -2.149 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.709 0.647 -1.533 1.00 0.00 C ATOM 0 H LEU A 932 -6.013 2.147 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.212 4.557 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.407 3.332 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.587 2.071 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.302 1.954 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.877 2.229 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.747 3.773 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.203 2.906 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -1.976 0.113 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.346 0.723 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.654 0.104 -1.544 1.00 0.00 H new ATOM 323 N VAL A 933 -3.795 3.985 -4.177 1.00 0.00 N ATOM 324 CA VAL A 933 -2.965 4.610 -5.209 1.00 0.00 C ATOM 325 C VAL A 933 -3.695 5.776 -5.853 1.00 0.00 C ATOM 326 O VAL A 933 -3.082 6.769 -6.259 1.00 0.00 O ATOM 327 CB VAL A 933 -2.538 3.595 -6.297 1.00 0.00 C ATOM 328 CG1 VAL A 933 -1.820 4.288 -7.447 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.646 2.522 -5.698 1.00 0.00 C ATOM 0 H VAL A 933 -4.120 3.046 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.065 4.977 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.441 3.129 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.533 3.549 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.484 5.024 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -0.928 4.788 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.354 1.816 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.754 2.985 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.188 1.994 -4.913 1.00 0.00 H new ATOM 339 N LYS A 934 -5.008 5.660 -5.939 1.00 0.00 N ATOM 340 CA LYS A 934 -5.810 6.745 -6.473 1.00 0.00 C ATOM 341 C LYS A 934 -5.661 7.988 -5.597 1.00 0.00 C ATOM 342 O LYS A 934 -5.442 9.084 -6.108 1.00 0.00 O ATOM 343 CB LYS A 934 -7.273 6.328 -6.584 1.00 0.00 C ATOM 344 CG LYS A 934 -8.202 7.450 -7.015 1.00 0.00 C ATOM 345 CD LYS A 934 -9.626 7.200 -6.554 1.00 0.00 C ATOM 346 CE LYS A 934 -9.734 7.249 -5.038 1.00 0.00 C ATOM 347 NZ LYS A 934 -11.148 7.258 -4.581 1.00 0.00 N ATOM 0 H LYS A 934 -5.536 4.837 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.454 6.984 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.354 5.508 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.606 5.945 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -7.847 8.396 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -8.181 7.545 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.288 7.947 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -9.961 6.227 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.220 6.388 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.227 8.140 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.177 7.292 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.633 8.093 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.626 6.396 -4.913 1.00 0.00 H new ATOM 361 N ALA A 935 -5.748 7.815 -4.284 1.00 0.00 N ATOM 362 CA ALA A 935 -5.546 8.925 -3.351 1.00 0.00 C ATOM 363 C ALA A 935 -4.182 9.587 -3.559 1.00 0.00 C ATOM 364 O ALA A 935 -4.052 10.802 -3.425 1.00 0.00 O ATOM 365 CB ALA A 935 -5.681 8.444 -1.914 1.00 0.00 C ATOM 0 H ALA A 935 -5.956 6.921 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.317 9.669 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.528 9.282 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.678 8.030 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.934 7.675 -1.716 1.00 0.00 H new ATOM 371 N VAL A 936 -3.181 8.776 -3.901 1.00 0.00 N ATOM 372 CA VAL A 936 -1.820 9.260 -4.147 1.00 0.00 C ATOM 373 C VAL A 936 -1.801 10.402 -5.167 1.00 0.00 C ATOM 374 O VAL A 936 -1.644 11.562 -4.803 1.00 0.00 O ATOM 375 CB VAL A 936 -0.905 8.120 -4.652 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.509 8.620 -4.892 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.906 6.959 -3.673 1.00 0.00 C ATOM 0 H VAL A 936 -3.289 7.768 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.445 9.632 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.301 7.767 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.130 7.798 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.493 9.412 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.920 9.010 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.256 6.167 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.542 7.300 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.920 6.575 -3.565 1.00 0.00 H new ATOM 387 N ILE A 937 -1.983 10.067 -6.436 1.00 0.00 N ATOM 388 CA ILE A 937 -1.897 11.048 -7.523 1.00 0.00 C ATOM 389 C ILE A 937 -3.126 11.964 -7.585 1.00 0.00 C ATOM 390 O ILE A 937 -3.001 13.194 -7.733 1.00 0.00 O ATOM 391 CB ILE A 937 -1.713 10.349 -8.890 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.796 9.283 -9.105 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.326 9.728 -8.983 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.723 8.595 -10.453 1.00 0.00 C ATOM 0 H ILE A 937 -2.193 9.118 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 937 -1.025 11.665 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.812 11.098 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.713 8.532 -8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.776 9.748 -8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.210 9.239 -9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.429 10.507 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.203 8.993 -8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.521 7.856 -10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.837 9.334 -11.246 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.758 8.099 -10.556 1.00 0.00 H new ATOM 406 N GLU A 938 -4.299 11.393 -7.422 1.00 0.00 N ATOM 407 CA GLU A 938 -5.532 12.145 -7.649 1.00 0.00 C ATOM 408 C GLU A 938 -5.650 13.266 -6.634 1.00 0.00 C ATOM 409 O GLU A 938 -5.829 14.436 -6.986 1.00 0.00 O ATOM 410 CB GLU A 938 -6.763 11.240 -7.565 1.00 0.00 C ATOM 411 CG GLU A 938 -8.066 11.963 -7.864 1.00 0.00 C ATOM 412 CD GLU A 938 -9.286 11.131 -7.546 1.00 0.00 C ATOM 413 OE1 GLU A 938 -9.760 10.390 -8.430 1.00 0.00 O ATOM 414 OE2 GLU A 938 -9.790 11.233 -6.411 1.00 0.00 O ATOM 0 H GLU A 938 -4.434 10.423 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.488 12.564 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.646 10.414 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.818 10.806 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.103 12.888 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.087 12.242 -8.917 1.00 0.00 H new ATOM 421 N MET A 939 -5.504 12.913 -5.372 1.00 0.00 N ATOM 422 CA MET A 939 -5.634 13.888 -4.314 1.00 0.00 C ATOM 423 C MET A 939 -4.415 14.797 -4.283 1.00 0.00 C ATOM 424 O MET A 939 -4.513 15.937 -3.837 1.00 0.00 O ATOM 425 CB MET A 939 -5.836 13.216 -2.958 1.00 0.00 C ATOM 426 CG MET A 939 -7.113 12.403 -2.859 1.00 0.00 C ATOM 427 SD MET A 939 -7.349 11.685 -1.225 1.00 0.00 S ATOM 428 CE MET A 939 -8.855 10.754 -1.484 1.00 0.00 C ATOM 0 H MET A 939 -5.297 11.965 -5.058 1.00 0.00 H new ATOM 0 HA MET A 939 -6.519 14.491 -4.519 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.986 12.565 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.843 13.981 -2.182 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.965 13.040 -3.099 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.091 11.606 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.134 10.249 -0.559 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.655 11.432 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 939 -8.695 10.013 -2.268 1.00 0.00 H new ATOM 438 N SER A 940 -3.275 14.284 -4.784 1.00 0.00 N ATOM 439 CA SER A 940 -1.995 14.989 -4.697 1.00 0.00 C ATOM 440 C SER A 940 -2.104 16.400 -5.241 1.00 0.00 C ATOM 441 O SER A 940 -1.489 17.330 -4.719 1.00 0.00 O ATOM 442 CB SER A 940 -0.897 14.251 -5.477 1.00 0.00 C ATOM 443 OG SER A 940 -1.001 14.455 -6.874 1.00 0.00 O ATOM 0 H SER A 940 -3.221 13.380 -5.254 1.00 0.00 H new ATOM 0 HA SER A 940 -1.731 15.025 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 940 0.080 14.591 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.957 13.184 -5.262 1.00 0.00 H new ATOM 0 HG SER A 940 -1.929 14.314 -7.157 1.00 0.00 H new ATOM 449 N SER A 941 -2.867 16.539 -6.322 1.00 0.00 N ATOM 450 CA SER A 941 -3.008 17.811 -7.007 1.00 0.00 C ATOM 451 C SER A 941 -4.372 18.480 -6.787 1.00 0.00 C ATOM 452 O SER A 941 -4.478 19.703 -6.890 1.00 0.00 O ATOM 453 CB SER A 941 -2.802 17.562 -8.502 1.00 0.00 C ATOM 454 OG SER A 941 -3.547 16.432 -8.931 1.00 0.00 O ATOM 0 H SER A 941 -3.399 15.777 -6.742 1.00 0.00 H new ATOM 0 HA SER A 941 -2.264 18.494 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 941 -3.109 18.442 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 941 -1.743 17.405 -8.707 1.00 0.00 H new ATOM 0 HG SER A 941 -3.403 16.290 -9.890 1.00 0.00 H new ATOM 460 N LYS A 942 -5.413 17.704 -6.480 1.00 0.00 N ATOM 461 CA LYS A 942 -6.769 18.262 -6.571 1.00 0.00 C ATOM 462 C LYS A 942 -7.168 19.051 -5.317 1.00 0.00 C ATOM 463 O LYS A 942 -7.736 20.136 -5.432 1.00 0.00 O ATOM 464 CB LYS A 942 -7.826 17.207 -6.933 1.00 0.00 C ATOM 465 CG LYS A 942 -8.139 16.243 -5.796 1.00 0.00 C ATOM 466 CD LYS A 942 -9.235 15.253 -6.164 1.00 0.00 C ATOM 467 CE LYS A 942 -9.668 14.439 -4.950 1.00 0.00 C ATOM 468 NZ LYS A 942 -10.702 13.426 -5.287 1.00 0.00 N ATOM 0 H LYS A 942 -5.355 16.731 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 942 -6.737 18.971 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -8.744 17.712 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -7.479 16.638 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.235 15.697 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -8.444 16.809 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -10.092 15.789 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -8.877 14.583 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -8.799 13.939 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -10.057 15.111 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -10.927 12.865 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -11.562 13.906 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -10.342 12.798 -6.034 1.00 0.00 H new ATOM 482 N ILE A 943 -6.906 18.514 -4.135 1.00 0.00 N ATOM 483 CA ILE A 943 -7.352 19.175 -2.901 1.00 0.00 C ATOM 484 C ILE A 943 -6.448 20.358 -2.499 1.00 0.00 C ATOM 485 O ILE A 943 -6.702 21.037 -1.506 1.00 0.00 O ATOM 486 CB ILE A 943 -7.468 18.172 -1.729 1.00 0.00 C ATOM 487 CG1 ILE A 943 -8.020 16.831 -2.225 1.00 0.00 C ATOM 488 CG2 ILE A 943 -8.375 18.735 -0.641 1.00 0.00 C ATOM 489 CD1 ILE A 943 -8.129 15.782 -1.141 1.00 0.00 C ATOM 0 H ILE A 943 -6.398 17.641 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 943 -8.342 19.577 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 943 -6.473 18.011 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -9.005 16.993 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -7.376 16.454 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -8.448 18.019 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.959 19.671 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -9.367 18.918 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -8.527 14.860 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -7.142 15.591 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -8.797 16.138 -0.356 1.00 0.00 H new ATOM 501 N GLN A 944 -5.405 20.605 -3.279 1.00 0.00 N ATOM 502 CA GLN A 944 -4.418 21.643 -2.966 1.00 0.00 C ATOM 503 C GLN A 944 -5.011 23.065 -2.934 1.00 0.00 C ATOM 504 O GLN A 944 -4.663 23.846 -2.048 1.00 0.00 O ATOM 505 CB GLN A 944 -3.248 21.572 -3.950 1.00 0.00 C ATOM 506 CG GLN A 944 -2.089 22.484 -3.587 1.00 0.00 C ATOM 507 CD GLN A 944 -0.869 22.226 -4.442 1.00 0.00 C ATOM 508 OE1 GLN A 944 -0.705 22.820 -5.508 1.00 0.00 O ATOM 509 NE2 GLN A 944 -0.006 21.335 -3.983 1.00 0.00 N ATOM 0 H GLN A 944 -5.215 20.098 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 944 -4.063 21.439 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -2.888 20.544 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -3.606 21.833 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -2.397 23.523 -3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -1.832 22.341 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -0.181 20.866 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 944 0.835 21.117 -4.518 1.00 0.00 H new ATOM 518 N PRO A 945 -5.876 23.456 -3.903 1.00 0.00 N ATOM 519 CA PRO A 945 -6.564 24.757 -3.856 1.00 0.00 C ATOM 520 C PRO A 945 -7.411 24.928 -2.593 1.00 0.00 C ATOM 521 O PRO A 945 -7.742 26.046 -2.195 1.00 0.00 O ATOM 522 CB PRO A 945 -7.460 24.744 -5.097 1.00 0.00 C ATOM 523 CG PRO A 945 -6.837 23.753 -6.013 1.00 0.00 C ATOM 524 CD PRO A 945 -6.211 22.712 -5.132 1.00 0.00 C ATOM 0 HA PRO A 945 -5.853 25.583 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -8.481 24.459 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -7.510 25.730 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -7.582 23.309 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -6.089 24.226 -6.650 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -6.899 21.891 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -5.324 22.278 -5.592 1.00 0.00 H new ATOM 532 N ALA A 946 -7.757 23.815 -1.969 1.00 0.00 N ATOM 533 CA ALA A 946 -8.498 23.826 -0.720 1.00 0.00 C ATOM 534 C ALA A 946 -7.515 23.830 0.456 1.00 0.00 C ATOM 535 O ALA A 946 -6.304 23.869 0.234 1.00 0.00 O ATOM 536 CB ALA A 946 -9.416 22.610 -0.672 1.00 0.00 C ATOM 0 H ALA A 946 -7.533 22.881 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 946 -9.112 24.724 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -9.975 22.613 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -10.112 22.646 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -8.819 21.700 -0.735 1.00 0.00 H new ATOM 542 N PRO A 947 -7.998 23.857 1.717 1.00 0.00 N ATOM 543 CA PRO A 947 -7.134 23.658 2.883 1.00 0.00 C ATOM 544 C PRO A 947 -6.160 22.498 2.669 1.00 0.00 C ATOM 545 O PRO A 947 -6.590 21.413 2.310 1.00 0.00 O ATOM 546 CB PRO A 947 -8.133 23.331 3.990 1.00 0.00 C ATOM 547 CG PRO A 947 -9.360 24.086 3.621 1.00 0.00 C ATOM 548 CD PRO A 947 -9.398 24.121 2.114 1.00 0.00 C ATOM 0 HA PRO A 947 -6.506 24.522 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -8.328 22.260 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -7.757 23.637 4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -10.250 23.601 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -9.334 25.095 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -10.076 23.367 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -9.742 25.087 1.745 1.00 0.00 H new ATOM 556 N PRO A 948 -4.857 22.733 2.968 1.00 0.00 N ATOM 557 CA PRO A 948 -3.683 21.892 2.627 1.00 0.00 C ATOM 558 C PRO A 948 -3.967 20.430 2.279 1.00 0.00 C ATOM 559 O PRO A 948 -3.506 19.532 2.987 1.00 0.00 O ATOM 560 CB PRO A 948 -2.884 21.962 3.937 1.00 0.00 C ATOM 561 CG PRO A 948 -3.406 23.163 4.684 1.00 0.00 C ATOM 562 CD PRO A 948 -4.393 23.847 3.777 1.00 0.00 C ATOM 0 HA PRO A 948 -3.199 22.256 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -3.016 21.052 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -1.817 22.061 3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -3.883 22.860 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -2.592 23.838 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -5.204 24.317 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.926 24.626 3.174 1.00 0.00 H new ATOM 570 N GLU A 949 -4.670 20.201 1.162 1.00 0.00 N ATOM 571 CA GLU A 949 -5.243 18.889 0.808 1.00 0.00 C ATOM 572 C GLU A 949 -5.998 18.231 1.958 1.00 0.00 C ATOM 573 O GLU A 949 -6.566 17.147 1.794 1.00 0.00 O ATOM 574 CB GLU A 949 -4.164 17.930 0.367 1.00 0.00 C ATOM 575 CG GLU A 949 -4.249 17.553 -1.089 1.00 0.00 C ATOM 576 CD GLU A 949 -3.436 18.456 -1.984 1.00 0.00 C ATOM 577 OE1 GLU A 949 -2.426 19.016 -1.505 1.00 0.00 O ATOM 578 OE2 GLU A 949 -3.752 18.537 -3.181 1.00 0.00 O ATOM 0 H GLU A 949 -4.861 20.926 0.470 1.00 0.00 H new ATOM 0 HA GLU A 949 -5.944 19.093 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -3.190 18.379 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -4.225 17.025 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -3.907 16.526 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -5.292 17.582 -1.405 1.00 0.00 H new ATOM 585 N GLU A 950 -6.037 18.904 3.091 1.00 0.00 N ATOM 586 CA GLU A 950 -6.298 18.268 4.354 1.00 0.00 C ATOM 587 C GLU A 950 -5.453 16.991 4.447 1.00 0.00 C ATOM 588 O GLU A 950 -5.976 15.889 4.478 1.00 0.00 O ATOM 589 CB GLU A 950 -7.794 18.004 4.531 1.00 0.00 C ATOM 590 CG GLU A 950 -8.620 19.281 4.546 1.00 0.00 C ATOM 591 CD GLU A 950 -10.053 19.051 4.971 1.00 0.00 C ATOM 592 OE1 GLU A 950 -10.831 18.485 4.176 1.00 0.00 O ATOM 593 OE2 GLU A 950 -10.415 19.450 6.101 1.00 0.00 O ATOM 0 H GLU A 950 -5.887 19.911 3.155 1.00 0.00 H new ATOM 0 HA GLU A 950 -6.011 18.926 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -8.143 17.361 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -7.955 17.462 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -8.157 19.999 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -8.609 19.727 3.551 1.00 0.00 H new ATOM 600 N TYR A 951 -4.128 17.181 4.438 1.00 0.00 N ATOM 601 CA TYR A 951 -3.151 16.084 4.454 1.00 0.00 C ATOM 602 C TYR A 951 -3.416 15.082 5.574 1.00 0.00 C ATOM 603 O TYR A 951 -3.448 13.885 5.336 1.00 0.00 O ATOM 604 CB TYR A 951 -1.718 16.625 4.591 1.00 0.00 C ATOM 605 CG TYR A 951 -1.229 17.426 3.404 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.672 17.151 2.130 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.317 18.460 3.563 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.231 17.892 1.053 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.130 19.202 2.487 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.335 18.913 1.232 1.00 0.00 C ATOM 611 OH TYR A 951 0.090 19.641 0.147 1.00 0.00 O ATOM 0 H TYR A 951 -3.700 18.107 4.419 1.00 0.00 H new ATOM 0 HA TYR A 951 -3.260 15.566 3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.664 17.251 5.482 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -1.041 15.786 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.373 16.345 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.052 18.690 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.595 17.666 0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.840 20.003 2.634 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.584 19.594 -0.563 1.00 0.00 H new ATOM 621 N VAL A 952 -3.576 15.569 6.795 1.00 0.00 N ATOM 622 CA VAL A 952 -3.864 14.704 7.936 1.00 0.00 C ATOM 623 C VAL A 952 -5.216 14.001 7.761 1.00 0.00 C ATOM 624 O VAL A 952 -5.325 12.805 7.992 1.00 0.00 O ATOM 625 CB VAL A 952 -3.837 15.473 9.277 1.00 0.00 C ATOM 626 CG1 VAL A 952 -3.976 14.512 10.451 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.561 16.289 9.405 1.00 0.00 C ATOM 0 H VAL A 952 -3.512 16.561 7.025 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.073 13.955 7.969 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.684 16.159 9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -3.955 15.073 11.385 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -4.921 13.975 10.372 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.152 13.799 10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.564 16.822 10.356 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.698 15.624 9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.505 17.007 8.587 1.00 0.00 H new ATOM 637 N PRO A 953 -6.286 14.728 7.407 1.00 0.00 N ATOM 638 CA PRO A 953 -7.535 14.101 6.946 1.00 0.00 C ATOM 639 C PRO A 953 -7.306 13.064 5.828 1.00 0.00 C ATOM 640 O PRO A 953 -7.934 12.007 5.803 1.00 0.00 O ATOM 641 CB PRO A 953 -8.319 15.303 6.439 1.00 0.00 C ATOM 642 CG PRO A 953 -7.925 16.375 7.383 1.00 0.00 C ATOM 643 CD PRO A 953 -6.446 16.193 7.552 1.00 0.00 C ATOM 0 HA PRO A 953 -8.040 13.532 7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -8.056 15.553 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.394 15.122 6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -8.162 17.362 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.449 16.280 8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.881 16.740 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -6.102 16.545 8.525 1.00 0.00 H new ATOM 651 N MET A 954 -6.402 13.383 4.906 1.00 0.00 N ATOM 652 CA MET A 954 -6.010 12.464 3.836 1.00 0.00 C ATOM 653 C MET A 954 -5.265 11.271 4.414 1.00 0.00 C ATOM 654 O MET A 954 -5.340 10.162 3.889 1.00 0.00 O ATOM 655 CB MET A 954 -5.132 13.188 2.816 1.00 0.00 C ATOM 656 CG MET A 954 -4.631 12.297 1.688 1.00 0.00 C ATOM 657 SD MET A 954 -3.697 13.213 0.452 1.00 0.00 S ATOM 658 CE MET A 954 -4.886 14.482 0.046 1.00 0.00 C ATOM 0 H MET A 954 -5.921 14.282 4.877 1.00 0.00 H new ATOM 0 HA MET A 954 -6.910 12.106 3.335 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.697 14.016 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.275 13.621 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 954 -4.003 11.509 2.103 1.00 0.00 H new ATOM 0 HG3 MET A 954 -5.480 11.809 1.210 1.00 0.00 H new ATOM 0 HE1 MET A 954 -4.630 14.926 -0.916 1.00 0.00 H new ATOM 0 HE2 MET A 954 -5.882 14.043 -0.011 1.00 0.00 H new ATOM 0 HE3 MET A 954 -4.873 15.253 0.817 1.00 0.00 H new ATOM 668 N VAL A 955 -4.546 11.521 5.497 1.00 0.00 N ATOM 669 CA VAL A 955 -3.966 10.457 6.309 1.00 0.00 C ATOM 670 C VAL A 955 -5.047 9.445 6.700 1.00 0.00 C ATOM 671 O VAL A 955 -4.806 8.241 6.686 1.00 0.00 O ATOM 672 CB VAL A 955 -3.272 11.005 7.585 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.921 9.885 8.555 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.022 11.789 7.218 1.00 0.00 C ATOM 0 H VAL A 955 -4.347 12.461 5.839 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.203 9.967 5.704 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.977 11.672 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.437 10.305 9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.831 9.364 8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.244 9.182 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.549 12.165 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.326 11.138 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.294 12.627 6.576 1.00 0.00 H new ATOM 684 N LYS A 956 -6.241 9.932 7.013 1.00 0.00 N ATOM 685 CA LYS A 956 -7.381 9.047 7.248 1.00 0.00 C ATOM 686 C LYS A 956 -7.767 8.287 5.975 1.00 0.00 C ATOM 687 O LYS A 956 -8.153 7.121 6.035 1.00 0.00 O ATOM 688 CB LYS A 956 -8.610 9.821 7.740 1.00 0.00 C ATOM 689 CG LYS A 956 -8.598 10.211 9.212 1.00 0.00 C ATOM 690 CD LYS A 956 -7.697 11.400 9.486 1.00 0.00 C ATOM 691 CE LYS A 956 -8.008 12.012 10.841 1.00 0.00 C ATOM 692 NZ LYS A 956 -7.120 13.161 11.160 1.00 0.00 N ATOM 0 H LYS A 956 -6.447 10.926 7.110 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.067 8.342 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.708 10.728 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -9.497 9.217 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.613 10.446 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -8.265 9.361 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -6.654 11.086 9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -7.828 12.149 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -9.046 12.343 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -7.904 11.250 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -7.554 13.737 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -6.198 12.807 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -6.986 13.743 10.309 1.00 0.00 H new ATOM 706 N GLU A 957 -7.653 8.946 4.825 1.00 0.00 N ATOM 707 CA GLU A 957 -8.147 8.378 3.568 1.00 0.00 C ATOM 708 C GLU A 957 -7.183 7.340 2.998 1.00 0.00 C ATOM 709 O GLU A 957 -7.590 6.240 2.627 1.00 0.00 O ATOM 710 CB GLU A 957 -8.390 9.486 2.541 1.00 0.00 C ATOM 711 CG GLU A 957 -9.572 10.378 2.881 1.00 0.00 C ATOM 712 CD GLU A 957 -10.886 9.624 2.880 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.179 8.923 3.873 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.632 9.725 1.883 1.00 0.00 O ATOM 0 H GLU A 957 -7.226 9.868 4.734 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.089 7.875 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.493 10.100 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.555 9.034 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.415 10.826 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.625 11.195 2.162 1.00 0.00 H new ATOM 721 N VAL A 958 -5.900 7.676 2.961 1.00 0.00 N ATOM 722 CA VAL A 958 -4.888 6.757 2.453 1.00 0.00 C ATOM 723 C VAL A 958 -4.519 5.752 3.529 1.00 0.00 C ATOM 724 O VAL A 958 -4.241 4.594 3.229 1.00 0.00 O ATOM 725 CB VAL A 958 -3.627 7.499 1.933 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.912 8.234 3.056 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.683 6.532 1.229 1.00 0.00 C ATOM 0 H VAL A 958 -5.536 8.575 3.276 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.315 6.230 1.600 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.956 8.244 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.034 8.742 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.586 8.967 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.602 7.520 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.807 7.073 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.371 5.755 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.195 6.075 0.383 1.00 0.00 H new ATOM 737 N GLY A 959 -4.577 6.182 4.784 1.00 0.00 N ATOM 738 CA GLY A 959 -4.367 5.265 5.882 1.00 0.00 C ATOM 739 C GLY A 959 -5.387 4.154 5.852 1.00 0.00 C ATOM 740 O GLY A 959 -5.050 2.989 6.030 1.00 0.00 O ATOM 0 H GLY A 959 -4.765 7.146 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.363 4.845 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.434 5.802 6.828 1.00 0.00 H new ATOM 744 N LEU A 960 -6.636 4.520 5.588 1.00 0.00 N ATOM 745 CA LEU A 960 -7.713 3.549 5.475 1.00 0.00 C ATOM 746 C LEU A 960 -7.509 2.672 4.240 1.00 0.00 C ATOM 747 O LEU A 960 -7.685 1.463 4.294 1.00 0.00 O ATOM 748 CB LEU A 960 -9.064 4.275 5.409 1.00 0.00 C ATOM 749 CG LEU A 960 -10.313 3.404 5.604 1.00 0.00 C ATOM 750 CD1 LEU A 960 -11.480 4.258 6.069 1.00 0.00 C ATOM 751 CD2 LEU A 960 -10.691 2.679 4.320 1.00 0.00 C ATOM 0 H LEU A 960 -6.927 5.488 5.448 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.706 2.905 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.070 5.057 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.140 4.770 4.441 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.081 2.657 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -12.360 3.629 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -11.227 4.736 7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -11.692 5.023 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -11.579 2.071 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -10.898 3.409 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -9.867 2.037 4.009 1.00 0.00 H new ATOM 763 N ALA A 961 -7.098 3.281 3.142 1.00 0.00 N ATOM 764 CA ALA A 961 -6.979 2.571 1.874 1.00 0.00 C ATOM 765 C ALA A 961 -5.871 1.517 1.918 1.00 0.00 C ATOM 766 O ALA A 961 -6.056 0.382 1.478 1.00 0.00 O ATOM 767 CB ALA A 961 -6.728 3.565 0.757 1.00 0.00 C ATOM 0 H ALA A 961 -6.840 4.267 3.099 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.915 2.045 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.639 3.033 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.559 4.268 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.805 4.110 0.955 1.00 0.00 H new ATOM 773 N LEU A 962 -4.739 1.891 2.492 1.00 0.00 N ATOM 774 CA LEU A 962 -3.575 1.014 2.590 1.00 0.00 C ATOM 775 C LEU A 962 -3.674 0.107 3.816 1.00 0.00 C ATOM 776 O LEU A 962 -3.104 -0.983 3.804 1.00 0.00 O ATOM 777 CB LEU A 962 -2.271 1.840 2.592 1.00 0.00 C ATOM 778 CG LEU A 962 -2.025 2.703 3.839 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.459 1.877 4.984 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.091 3.851 3.510 1.00 0.00 C ATOM 0 H LEU A 962 -4.597 2.813 2.905 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.555 0.368 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.430 1.156 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.275 2.491 1.718 1.00 0.00 H new ATOM 0 HG LEU A 962 -2.986 3.106 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.297 2.519 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.163 1.086 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.511 1.433 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.926 4.453 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.138 3.455 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.536 4.471 2.732 1.00 0.00 H new ATOM 792 N ARG A 963 -4.381 0.504 4.866 1.00 0.00 N ATOM 793 CA ARG A 963 -4.628 -0.449 5.945 1.00 0.00 C ATOM 794 C ARG A 963 -5.533 -1.568 5.442 1.00 0.00 C ATOM 795 O ARG A 963 -5.332 -2.725 5.789 1.00 0.00 O ATOM 796 CB ARG A 963 -5.269 0.189 7.173 1.00 0.00 C ATOM 797 CG ARG A 963 -6.736 0.496 6.937 1.00 0.00 C ATOM 798 CD ARG A 963 -7.506 0.735 8.214 1.00 0.00 C ATOM 799 NE ARG A 963 -8.949 0.685 7.976 1.00 0.00 N ATOM 800 CZ ARG A 963 -9.843 1.481 8.557 1.00 0.00 C ATOM 801 NH1 ARG A 963 -9.467 2.358 9.478 1.00 0.00 N ATOM 802 NH2 ARG A 963 -11.123 1.374 8.225 1.00 0.00 N ATOM 0 H ARG A 963 -4.778 1.434 4.995 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.655 -0.837 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.169 -0.481 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.740 1.108 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.818 1.377 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.192 -0.333 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -7.230 -0.016 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -7.236 1.706 8.629 1.00 0.00 H new ATOM 0 HE ARG A 963 -9.295 -0.011 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -8.485 2.426 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -10.159 2.964 9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -11.414 0.686 7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -11.816 1.979 8.665 1.00 0.00 H new ATOM 816 N THR A 964 -6.522 -1.224 4.622 1.00 0.00 N ATOM 817 CA THR A 964 -7.412 -2.229 4.076 1.00 0.00 C ATOM 818 C THR A 964 -6.619 -3.160 3.174 1.00 0.00 C ATOM 819 O THR A 964 -6.894 -4.354 3.101 1.00 0.00 O ATOM 820 CB THR A 964 -8.603 -1.602 3.318 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.184 -0.563 4.118 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.672 -2.652 3.050 1.00 0.00 C ATOM 0 H THR A 964 -6.721 -0.268 4.327 1.00 0.00 H new ATOM 0 HA THR A 964 -7.838 -2.798 4.902 1.00 0.00 H new ATOM 0 HB THR A 964 -8.239 -1.200 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.698 0.275 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.505 -2.195 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.250 -3.455 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.028 -3.059 3.997 1.00 0.00 H new ATOM 830 N LEU A 965 -5.588 -2.611 2.538 1.00 0.00 N ATOM 831 CA LEU A 965 -4.663 -3.419 1.756 1.00 0.00 C ATOM 832 C LEU A 965 -3.945 -4.393 2.668 1.00 0.00 C ATOM 833 O LEU A 965 -3.926 -5.602 2.433 1.00 0.00 O ATOM 834 CB LEU A 965 -3.611 -2.550 1.065 1.00 0.00 C ATOM 835 CG LEU A 965 -2.500 -3.343 0.363 1.00 0.00 C ATOM 836 CD1 LEU A 965 -3.065 -4.159 -0.780 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.410 -2.412 -0.137 1.00 0.00 C ATOM 0 H LEU A 965 -5.374 -1.614 2.550 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.243 -3.948 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.107 -1.914 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.158 -1.890 1.805 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.061 -4.027 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.261 -4.713 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -3.807 -4.858 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.534 -3.494 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.632 -2.994 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.836 -1.700 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -0.978 -1.872 0.705 1.00 0.00 H new ATOM 849 N LEU A 966 -3.383 -3.836 3.738 1.00 0.00 N ATOM 850 CA LEU A 966 -2.567 -4.590 4.668 1.00 0.00 C ATOM 851 C LEU A 966 -3.423 -5.656 5.328 1.00 0.00 C ATOM 852 O LEU A 966 -2.973 -6.764 5.575 1.00 0.00 O ATOM 853 CB LEU A 966 -1.968 -3.632 5.714 1.00 0.00 C ATOM 854 CG LEU A 966 -0.986 -4.242 6.725 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.021 -3.176 7.223 1.00 0.00 C ATOM 856 CD2 LEU A 966 -1.726 -4.851 7.911 1.00 0.00 C ATOM 0 H LEU A 966 -3.484 -2.850 3.979 1.00 0.00 H new ATOM 0 HA LEU A 966 -1.747 -5.080 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.456 -2.828 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -2.789 -3.177 6.269 1.00 0.00 H new ATOM 0 HG LEU A 966 -0.431 -5.032 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 966 0.671 -3.618 7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.539 -2.770 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -0.581 -2.375 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.006 -5.275 8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -2.307 -4.078 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -2.395 -5.636 7.558 1.00 0.00 H new ATOM 868 N ALA A 967 -4.671 -5.288 5.610 1.00 0.00 N ATOM 869 CA ALA A 967 -5.636 -6.181 6.234 1.00 0.00 C ATOM 870 C ALA A 967 -6.164 -7.235 5.275 1.00 0.00 C ATOM 871 O ALA A 967 -6.529 -8.307 5.717 1.00 0.00 O ATOM 872 CB ALA A 967 -6.779 -5.391 6.839 1.00 0.00 C ATOM 0 H ALA A 967 -5.039 -4.358 5.410 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.109 -6.711 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -7.490 -6.076 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -6.390 -4.708 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.280 -4.820 6.058 1.00 0.00 H new ATOM 878 N THR A 968 -6.218 -6.961 3.979 1.00 0.00 N ATOM 879 CA THR A 968 -6.550 -8.020 3.033 1.00 0.00 C ATOM 880 C THR A 968 -5.370 -8.984 2.923 1.00 0.00 C ATOM 881 O THR A 968 -5.547 -10.188 2.751 1.00 0.00 O ATOM 882 CB THR A 968 -6.940 -7.481 1.640 1.00 0.00 C ATOM 883 OG1 THR A 968 -7.980 -6.505 1.777 1.00 0.00 O ATOM 884 CG2 THR A 968 -7.438 -8.612 0.755 1.00 0.00 C ATOM 0 H THR A 968 -6.043 -6.045 3.566 1.00 0.00 H new ATOM 0 HA THR A 968 -7.427 -8.542 3.415 1.00 0.00 H new ATOM 0 HB THR A 968 -6.060 -7.028 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 968 -7.655 -5.754 2.317 1.00 0.00 H new ATOM 0 HG21 THR A 968 -7.709 -8.216 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 968 -6.651 -9.357 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.312 -9.075 1.214 1.00 0.00 H new ATOM 892 N VAL A 969 -4.167 -8.442 3.069 1.00 0.00 N ATOM 893 CA VAL A 969 -2.957 -9.257 3.163 1.00 0.00 C ATOM 894 C VAL A 969 -2.914 -9.988 4.515 1.00 0.00 C ATOM 895 O VAL A 969 -2.588 -11.170 4.590 1.00 0.00 O ATOM 896 CB VAL A 969 -1.678 -8.406 2.983 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.429 -9.265 3.098 1.00 0.00 C ATOM 898 CG2 VAL A 969 -1.701 -7.681 1.647 1.00 0.00 C ATOM 0 H VAL A 969 -4.001 -7.437 3.125 1.00 0.00 H new ATOM 0 HA VAL A 969 -2.988 -9.988 2.355 1.00 0.00 H new ATOM 0 HB VAL A 969 -1.654 -7.664 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.455 -8.641 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.400 -9.735 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.446 -10.036 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -0.793 -7.088 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.756 -8.410 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.570 -7.025 1.604 1.00 0.00 H new ATOM 908 N ASP A 970 -3.313 -9.298 5.567 1.00 0.00 N ATOM 909 CA ASP A 970 -3.313 -9.872 6.910 1.00 0.00 C ATOM 910 C ASP A 970 -4.389 -10.941 6.979 1.00 0.00 C ATOM 911 O ASP A 970 -4.218 -12.001 7.579 1.00 0.00 O ATOM 912 CB ASP A 970 -3.571 -8.781 7.956 1.00 0.00 C ATOM 913 CG ASP A 970 -3.570 -9.303 9.378 1.00 0.00 C ATOM 914 OD1 ASP A 970 -2.479 -9.454 9.962 1.00 0.00 O ATOM 915 OD2 ASP A 970 -4.666 -9.546 9.923 1.00 0.00 O ATOM 0 H ASP A 970 -3.644 -8.334 5.522 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.341 -10.316 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -2.809 -8.007 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.532 -8.310 7.750 1.00 0.00 H new ATOM 920 N GLU A 971 -5.495 -10.647 6.332 1.00 0.00 N ATOM 921 CA GLU A 971 -6.579 -11.592 6.189 1.00 0.00 C ATOM 922 C GLU A 971 -6.107 -12.792 5.374 1.00 0.00 C ATOM 923 O GLU A 971 -6.493 -13.921 5.637 1.00 0.00 O ATOM 924 CB GLU A 971 -7.750 -10.895 5.509 1.00 0.00 C ATOM 925 CG GLU A 971 -9.059 -11.662 5.563 1.00 0.00 C ATOM 926 CD GLU A 971 -9.670 -11.664 6.947 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.456 -10.745 7.250 1.00 0.00 O ATOM 928 OE2 GLU A 971 -9.362 -12.577 7.741 1.00 0.00 O ATOM 0 H GLU A 971 -5.668 -9.744 5.890 1.00 0.00 H new ATOM 0 HA GLU A 971 -6.901 -11.952 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -7.896 -9.920 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.492 -10.715 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.764 -11.222 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -8.888 -12.690 5.243 1.00 0.00 H new ATOM 935 N SER A 972 -5.242 -12.530 4.398 1.00 0.00 N ATOM 936 CA SER A 972 -4.617 -13.585 3.602 1.00 0.00 C ATOM 937 C SER A 972 -3.711 -14.461 4.464 1.00 0.00 C ATOM 938 O SER A 972 -3.386 -15.587 4.084 1.00 0.00 O ATOM 939 CB SER A 972 -3.813 -12.979 2.448 1.00 0.00 C ATOM 940 OG SER A 972 -4.671 -12.363 1.503 1.00 0.00 O ATOM 0 H SER A 972 -4.955 -11.587 4.137 1.00 0.00 H new ATOM 0 HA SER A 972 -5.411 -14.210 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.107 -12.245 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.227 -13.757 1.960 1.00 0.00 H new ATOM 0 HG SER A 972 -4.892 -11.457 1.804 1.00 0.00 H new ATOM 946 N LEU A 973 -3.336 -13.952 5.637 1.00 0.00 N ATOM 947 CA LEU A 973 -2.411 -14.657 6.520 1.00 0.00 C ATOM 948 C LEU A 973 -3.073 -15.946 7.032 1.00 0.00 C ATOM 949 O LEU A 973 -2.497 -17.024 6.897 1.00 0.00 O ATOM 950 CB LEU A 973 -1.989 -13.731 7.687 1.00 0.00 C ATOM 951 CG LEU A 973 -0.785 -14.154 8.545 1.00 0.00 C ATOM 952 CD1 LEU A 973 -1.080 -15.398 9.367 1.00 0.00 C ATOM 953 CD2 LEU A 973 0.439 -14.363 7.676 1.00 0.00 C ATOM 0 H LEU A 973 -3.659 -13.054 5.997 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.510 -14.932 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.773 -12.747 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.847 -13.616 8.349 1.00 0.00 H new ATOM 0 HG LEU A 973 -0.584 -13.345 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -0.202 -15.661 9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -1.920 -15.203 10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -1.329 -16.224 8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 973 1.281 -14.662 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 973 0.236 -15.143 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 973 0.682 -13.434 7.160 1.00 0.00 H new ATOM 965 N PRO A 974 -4.293 -15.878 7.623 1.00 0.00 N ATOM 966 CA PRO A 974 -5.015 -17.088 8.013 1.00 0.00 C ATOM 967 C PRO A 974 -5.962 -17.632 6.934 1.00 0.00 C ATOM 968 O PRO A 974 -6.351 -18.801 6.991 1.00 0.00 O ATOM 969 CB PRO A 974 -5.795 -16.626 9.233 1.00 0.00 C ATOM 970 CG PRO A 974 -6.107 -15.193 8.962 1.00 0.00 C ATOM 971 CD PRO A 974 -5.016 -14.671 8.057 1.00 0.00 C ATOM 0 HA PRO A 974 -4.334 -17.920 8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.705 -17.211 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.208 -16.738 10.144 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -7.083 -15.093 8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -6.144 -14.623 9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.430 -14.129 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.357 -13.981 8.585 1.00 0.00 H new ATOM 979 N VAL A 975 -6.344 -16.804 5.960 1.00 0.00 N ATOM 980 CA VAL A 975 -7.211 -17.269 4.873 1.00 0.00 C ATOM 981 C VAL A 975 -6.545 -18.403 4.101 1.00 0.00 C ATOM 982 O VAL A 975 -7.185 -19.414 3.798 1.00 0.00 O ATOM 983 CB VAL A 975 -7.621 -16.124 3.909 1.00 0.00 C ATOM 984 CG1 VAL A 975 -8.003 -16.657 2.532 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.786 -15.339 4.496 1.00 0.00 C ATOM 0 H VAL A 975 -6.072 -15.823 5.900 1.00 0.00 H new ATOM 0 HA VAL A 975 -8.125 -17.642 5.335 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.759 -15.468 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -8.284 -15.826 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -7.154 -17.184 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.845 -17.343 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -9.066 -14.538 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.636 -16.005 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.491 -14.911 5.454 1.00 0.00 H new ATOM 995 N LEU A 976 -5.264 -18.253 3.795 1.00 0.00 N ATOM 996 CA LEU A 976 -4.522 -19.338 3.189 1.00 0.00 C ATOM 997 C LEU A 976 -3.745 -20.083 4.269 1.00 0.00 C ATOM 998 O LEU A 976 -2.749 -19.577 4.785 1.00 0.00 O ATOM 999 CB LEU A 976 -3.579 -18.816 2.103 1.00 0.00 C ATOM 1000 CG LEU A 976 -2.879 -19.898 1.280 1.00 0.00 C ATOM 1001 CD1 LEU A 976 -3.901 -20.795 0.595 1.00 0.00 C ATOM 1002 CD2 LEU A 976 -1.960 -19.260 0.256 1.00 0.00 C ATOM 0 H LEU A 976 -4.727 -17.401 3.955 1.00 0.00 H new ATOM 0 HA LEU A 976 -5.222 -20.025 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -4.147 -18.177 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.820 -18.190 2.572 1.00 0.00 H new ATOM 0 HG LEU A 976 -2.281 -20.515 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -3.384 -21.559 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -4.527 -21.274 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -4.525 -20.196 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -1.466 -20.039 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -2.543 -18.625 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.209 -18.657 0.767 1.00 0.00 H new ATOM 1014 N PRO A 977 -4.196 -21.297 4.627 1.00 0.00 N ATOM 1015 CA PRO A 977 -3.594 -22.094 5.707 1.00 0.00 C ATOM 1016 C PRO A 977 -2.273 -22.743 5.297 1.00 0.00 C ATOM 1017 O PRO A 977 -1.911 -23.815 5.783 1.00 0.00 O ATOM 1018 CB PRO A 977 -4.654 -23.160 5.976 1.00 0.00 C ATOM 1019 CG PRO A 977 -5.343 -23.343 4.671 1.00 0.00 C ATOM 1020 CD PRO A 977 -5.339 -21.995 4.002 1.00 0.00 C ATOM 0 HA PRO A 977 -3.343 -21.484 6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.202 -24.091 6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -5.351 -22.839 6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -4.827 -24.083 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -6.362 -23.703 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -5.212 -22.084 2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -6.275 -21.462 4.170 1.00 0.00 H new ATOM 1028 N ALA A 978 -1.549 -22.076 4.415 1.00 0.00 N ATOM 1029 CA ALA A 978 -0.273 -22.569 3.938 1.00 0.00 C ATOM 1030 C ALA A 978 0.855 -21.718 4.500 1.00 0.00 C ATOM 1031 O ALA A 978 0.613 -20.694 5.139 1.00 0.00 O ATOM 1032 CB ALA A 978 -0.240 -22.566 2.418 1.00 0.00 C ATOM 0 H ALA A 978 -1.829 -21.182 4.012 1.00 0.00 H new ATOM 0 HA ALA A 978 -0.140 -23.595 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 978 0.725 -22.939 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -1.034 -23.207 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -0.387 -21.550 2.053 1.00 0.00 H new ATOM 1038 N SER A 979 2.086 -22.120 4.235 1.00 0.00 N ATOM 1039 CA SER A 979 3.247 -21.412 4.749 1.00 0.00 C ATOM 1040 C SER A 979 3.508 -20.124 3.961 1.00 0.00 C ATOM 1041 O SER A 979 4.578 -19.519 4.061 1.00 0.00 O ATOM 1042 CB SER A 979 4.462 -22.331 4.715 1.00 0.00 C ATOM 1043 OG SER A 979 4.142 -23.601 5.260 1.00 0.00 O ATOM 0 H SER A 979 2.308 -22.936 3.665 1.00 0.00 H new ATOM 0 HA SER A 979 3.051 -21.123 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 979 4.809 -22.447 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 979 5.280 -21.883 5.279 1.00 0.00 H new ATOM 0 HG SER A 979 4.933 -24.179 5.229 1.00 0.00 H new ATOM 1049 N THR A 980 2.504 -19.695 3.200 1.00 0.00 N ATOM 1050 CA THR A 980 2.528 -18.418 2.500 1.00 0.00 C ATOM 1051 C THR A 980 2.668 -17.270 3.504 1.00 0.00 C ATOM 1052 O THR A 980 3.103 -16.170 3.163 1.00 0.00 O ATOM 1053 CB THR A 980 1.236 -18.260 1.660 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.222 -19.243 0.628 1.00 0.00 O ATOM 1055 CG2 THR A 980 1.108 -16.880 1.046 1.00 0.00 C ATOM 0 H THR A 980 1.647 -20.228 3.052 1.00 0.00 H new ATOM 0 HA THR A 980 3.386 -18.390 1.829 1.00 0.00 H new ATOM 0 HB THR A 980 0.389 -18.396 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 980 0.647 -19.990 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 980 0.186 -16.823 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 980 1.087 -16.130 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.959 -16.693 0.391 1.00 0.00 H new ATOM 1063 N HIS A 981 2.351 -17.582 4.755 1.00 0.00 N ATOM 1064 CA HIS A 981 2.350 -16.612 5.853 1.00 0.00 C ATOM 1065 C HIS A 981 3.666 -15.824 5.988 1.00 0.00 C ATOM 1066 O HIS A 981 3.655 -14.705 6.487 1.00 0.00 O ATOM 1067 CB HIS A 981 1.991 -17.306 7.186 1.00 0.00 C ATOM 1068 CG HIS A 981 3.054 -18.197 7.770 1.00 0.00 C ATOM 1069 ND1 HIS A 981 3.927 -19.047 7.184 1.00 0.00 N flip ATOM 1070 CD2 HIS A 981 3.286 -18.295 9.125 1.00 0.00 C flip ATOM 1071 CE1 HIS A 981 4.661 -19.635 8.181 1.00 0.00 C flip ATOM 1072 NE2 HIS A 981 4.255 -19.163 9.344 1.00 0.00 N flip ATOM 0 H HIS A 981 2.084 -18.524 5.043 1.00 0.00 H new ATOM 0 HA HIS A 981 1.585 -15.876 5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.745 -16.537 7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 981 1.090 -17.900 7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 981 2.756 -17.746 9.889 1.00 0.00 H new ATOM 0 HE1 HIS A 981 5.444 -20.365 8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 981 4.627 -19.425 10.257 1.00 0.00 H new ATOM 1081 N ARG A 982 4.794 -16.372 5.537 1.00 0.00 N ATOM 1082 CA ARG A 982 6.071 -15.668 5.704 1.00 0.00 C ATOM 1083 C ARG A 982 6.306 -14.653 4.582 1.00 0.00 C ATOM 1084 O ARG A 982 7.101 -13.729 4.736 1.00 0.00 O ATOM 1085 CB ARG A 982 7.253 -16.630 5.879 1.00 0.00 C ATOM 1086 CG ARG A 982 7.762 -17.259 4.584 1.00 0.00 C ATOM 1087 CD ARG A 982 9.041 -16.591 4.100 1.00 0.00 C ATOM 1088 NE ARG A 982 10.134 -16.718 5.067 1.00 0.00 N ATOM 1089 CZ ARG A 982 11.389 -17.023 4.736 1.00 0.00 C ATOM 1090 NH1 ARG A 982 11.700 -17.295 3.476 1.00 0.00 N ATOM 1091 NH2 ARG A 982 12.334 -17.065 5.666 1.00 0.00 N ATOM 0 H ARG A 982 4.855 -17.275 5.066 1.00 0.00 H new ATOM 0 HA ARG A 982 6.002 -15.104 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.074 -16.092 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.957 -17.426 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 982 7.944 -18.322 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 982 6.995 -17.178 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.344 -17.035 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.848 -15.535 3.910 1.00 0.00 H new ATOM 0 HE ARG A 982 9.922 -16.564 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.978 -17.271 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 982 12.661 -17.528 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 982 12.102 -16.864 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 982 13.293 -17.299 5.409 1.00 0.00 H new ATOM 1105 N GLU A 983 5.632 -14.800 3.463 1.00 0.00 N ATOM 1106 CA GLU A 983 5.633 -13.740 2.464 1.00 0.00 C ATOM 1107 C GLU A 983 4.674 -12.650 2.895 1.00 0.00 C ATOM 1108 O GLU A 983 4.910 -11.461 2.690 1.00 0.00 O ATOM 1109 CB GLU A 983 5.203 -14.263 1.108 1.00 0.00 C ATOM 1110 CG GLU A 983 6.314 -14.281 0.060 1.00 0.00 C ATOM 1111 CD GLU A 983 7.453 -15.227 0.386 1.00 0.00 C ATOM 1112 OE1 GLU A 983 7.406 -15.885 1.440 1.00 0.00 O ATOM 1113 OE2 GLU A 983 8.393 -15.326 -0.429 1.00 0.00 O ATOM 0 H GLU A 983 5.084 -15.625 3.219 1.00 0.00 H new ATOM 0 HA GLU A 983 6.647 -13.350 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.816 -15.275 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.381 -13.649 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.887 -14.561 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.713 -13.272 -0.049 1.00 0.00 H new ATOM 1120 N ILE A 984 3.601 -13.085 3.526 1.00 0.00 N ATOM 1121 CA ILE A 984 2.574 -12.199 4.026 1.00 0.00 C ATOM 1122 C ILE A 984 3.122 -11.406 5.195 1.00 0.00 C ATOM 1123 O ILE A 984 2.751 -10.252 5.391 1.00 0.00 O ATOM 1124 CB ILE A 984 1.327 -12.993 4.467 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.775 -13.809 3.299 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.263 -12.063 5.024 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.228 -14.855 3.713 1.00 0.00 C ATOM 0 H ILE A 984 3.418 -14.072 3.706 1.00 0.00 H new ATOM 0 HA ILE A 984 2.278 -11.520 3.226 1.00 0.00 H new ATOM 0 HB ILE A 984 1.621 -13.681 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 984 0.307 -13.133 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 984 1.603 -14.296 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.606 -12.646 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.662 -11.529 5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.031 -11.346 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.576 -15.394 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 984 0.241 -15.555 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.075 -14.374 4.202 1.00 0.00 H new ATOM 1139 N GLU A 985 4.051 -11.992 5.928 1.00 0.00 N ATOM 1140 CA GLU A 985 4.628 -11.304 7.058 1.00 0.00 C ATOM 1141 C GLU A 985 5.514 -10.159 6.573 1.00 0.00 C ATOM 1142 O GLU A 985 5.447 -9.033 7.077 1.00 0.00 O ATOM 1143 CB GLU A 985 5.408 -12.287 7.963 1.00 0.00 C ATOM 1144 CG GLU A 985 6.748 -12.785 7.441 1.00 0.00 C ATOM 1145 CD GLU A 985 7.916 -11.905 7.848 1.00 0.00 C ATOM 1146 OE1 GLU A 985 7.866 -11.302 8.943 1.00 0.00 O ATOM 1147 OE2 GLU A 985 8.901 -11.827 7.088 1.00 0.00 O ATOM 0 H GLU A 985 4.415 -12.930 5.761 1.00 0.00 H new ATOM 0 HA GLU A 985 3.826 -10.880 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 985 5.577 -11.802 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 985 4.773 -13.153 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 985 6.920 -13.797 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 985 6.707 -12.843 6.353 1.00 0.00 H new ATOM 1154 N MET A 986 6.313 -10.461 5.550 1.00 0.00 N ATOM 1155 CA MET A 986 7.324 -9.541 5.054 1.00 0.00 C ATOM 1156 C MET A 986 6.695 -8.370 4.308 1.00 0.00 C ATOM 1157 O MET A 986 7.088 -7.217 4.473 1.00 0.00 O ATOM 1158 CB MET A 986 8.285 -10.294 4.129 1.00 0.00 C ATOM 1159 CG MET A 986 9.303 -9.399 3.433 1.00 0.00 C ATOM 1160 SD MET A 986 10.401 -10.319 2.336 1.00 0.00 S ATOM 1161 CE MET A 986 11.384 -8.992 1.639 1.00 0.00 C ATOM 0 H MET A 986 6.275 -11.347 5.047 1.00 0.00 H new ATOM 0 HA MET A 986 7.869 -9.137 5.907 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.816 -11.048 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.705 -10.824 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.778 -8.636 2.859 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.898 -8.879 4.184 1.00 0.00 H new ATOM 0 HE1 MET A 986 12.110 -9.406 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.732 -8.293 1.115 1.00 0.00 H new ATOM 0 HE3 MET A 986 11.908 -8.469 2.439 1.00 0.00 H new ATOM 1171 N ALA A 987 5.706 -8.694 3.492 1.00 0.00 N ATOM 1172 CA ALA A 987 5.127 -7.748 2.550 1.00 0.00 C ATOM 1173 C ALA A 987 4.234 -6.719 3.232 1.00 0.00 C ATOM 1174 O ALA A 987 4.409 -5.522 3.026 1.00 0.00 O ATOM 1175 CB ALA A 987 4.353 -8.502 1.487 1.00 0.00 C ATOM 0 H ALA A 987 5.281 -9.621 3.463 1.00 0.00 H new ATOM 0 HA ALA A 987 5.945 -7.195 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.919 -7.793 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 987 5.025 -9.176 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.557 -9.079 1.957 1.00 0.00 H new ATOM 1181 N GLN A 988 3.277 -7.170 4.044 1.00 0.00 N ATOM 1182 CA GLN A 988 2.429 -6.224 4.774 1.00 0.00 C ATOM 1183 C GLN A 988 3.278 -5.372 5.721 1.00 0.00 C ATOM 1184 O GLN A 988 2.894 -4.267 6.103 1.00 0.00 O ATOM 1185 CB GLN A 988 1.297 -6.932 5.526 1.00 0.00 C ATOM 1186 CG GLN A 988 1.736 -7.779 6.709 1.00 0.00 C ATOM 1187 CD GLN A 988 0.584 -8.582 7.287 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -0.625 -8.045 7.178 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 0.778 -9.669 7.833 1.00 0.00 N flip ATOM 0 H GLN A 988 3.072 -8.155 4.211 1.00 0.00 H new ATOM 0 HA GLN A 988 1.958 -5.566 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.592 -6.180 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.759 -7.569 4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.530 -8.457 6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 988 2.154 -7.134 7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 988 1.723 -10.047 7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.007 -10.191 8.222 1.00 0.00 H new ATOM 1198 N LYS A 989 4.439 -5.902 6.084 1.00 0.00 N ATOM 1199 CA LYS A 989 5.440 -5.158 6.831 1.00 0.00 C ATOM 1200 C LYS A 989 6.143 -4.112 5.959 1.00 0.00 C ATOM 1201 O LYS A 989 6.526 -3.046 6.439 1.00 0.00 O ATOM 1202 CB LYS A 989 6.465 -6.142 7.380 1.00 0.00 C ATOM 1203 CG LYS A 989 7.886 -5.611 7.417 1.00 0.00 C ATOM 1204 CD LYS A 989 8.893 -6.727 7.624 1.00 0.00 C ATOM 1205 CE LYS A 989 10.300 -6.184 7.811 1.00 0.00 C ATOM 1206 NZ LYS A 989 11.327 -7.235 7.605 1.00 0.00 N ATOM 0 H LYS A 989 4.712 -6.861 5.868 1.00 0.00 H new ATOM 0 HA LYS A 989 4.943 -4.625 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 989 6.171 -6.429 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.444 -7.047 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 989 8.105 -5.090 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.981 -4.880 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.611 -7.315 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 989 8.873 -7.399 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 989 10.470 -5.367 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.400 -5.770 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 12.274 -6.827 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 11.180 -8.003 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 11.248 -7.613 6.639 1.00 0.00 H new ATOM 1220 N LEU A 990 6.390 -4.443 4.700 1.00 0.00 N ATOM 1221 CA LEU A 990 7.036 -3.487 3.821 1.00 0.00 C ATOM 1222 C LEU A 990 6.212 -2.204 3.668 1.00 0.00 C ATOM 1223 O LEU A 990 6.704 -1.114 3.981 1.00 0.00 O ATOM 1224 CB LEU A 990 7.353 -4.090 2.462 1.00 0.00 C ATOM 1225 CG LEU A 990 8.389 -3.280 1.701 1.00 0.00 C ATOM 1226 CD1 LEU A 990 9.726 -3.312 2.426 1.00 0.00 C ATOM 1227 CD2 LEU A 990 8.545 -3.780 0.275 1.00 0.00 C ATOM 0 H LEU A 990 6.160 -5.341 4.275 1.00 0.00 H new ATOM 0 HA LEU A 990 7.981 -3.220 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.717 -5.109 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.439 -4.153 1.872 1.00 0.00 H new ATOM 0 HG LEU A 990 8.039 -2.249 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 990 10.457 -2.727 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 990 9.609 -2.889 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 990 10.072 -4.343 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 990 9.293 -3.179 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 990 8.863 -4.823 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 990 7.591 -3.698 -0.246 1.00 0.00 H new ATOM 1239 N LEU A 991 4.967 -2.335 3.209 1.00 0.00 N ATOM 1240 CA LEU A 991 4.049 -1.193 3.104 1.00 0.00 C ATOM 1241 C LEU A 991 3.954 -0.474 4.437 1.00 0.00 C ATOM 1242 O LEU A 991 3.820 0.748 4.500 1.00 0.00 O ATOM 1243 CB LEU A 991 2.652 -1.669 2.732 1.00 0.00 C ATOM 1244 CG LEU A 991 1.685 -0.568 2.299 1.00 0.00 C ATOM 1245 CD1 LEU A 991 1.914 -0.197 0.843 1.00 0.00 C ATOM 1246 CD2 LEU A 991 0.249 -1.001 2.535 1.00 0.00 C ATOM 0 H LEU A 991 4.567 -3.222 2.902 1.00 0.00 H new ATOM 0 HA LEU A 991 4.436 -0.523 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.736 -2.396 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.223 -2.192 3.587 1.00 0.00 H new ATOM 0 HG LEU A 991 1.874 0.319 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 991 1.216 0.588 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 991 2.936 0.160 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 991 1.755 -1.073 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -0.427 -0.206 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 991 0.041 -1.902 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 991 0.100 -1.206 3.595 1.00 0.00 H new ATOM 1258 N ASN A 992 4.049 -1.270 5.486 1.00 0.00 N ATOM 1259 CA ASN A 992 3.974 -0.812 6.863 1.00 0.00 C ATOM 1260 C ASN A 992 4.917 0.369 7.112 1.00 0.00 C ATOM 1261 O ASN A 992 4.498 1.420 7.601 1.00 0.00 O ATOM 1262 CB ASN A 992 4.362 -1.976 7.760 1.00 0.00 C ATOM 1263 CG ASN A 992 4.242 -1.682 9.240 1.00 0.00 C ATOM 1264 OD1 ASN A 992 5.146 -1.109 9.852 1.00 0.00 O ATOM 1265 ND2 ASN A 992 3.144 -2.118 9.837 1.00 0.00 N ATOM 0 H ASN A 992 4.184 -2.278 5.403 1.00 0.00 H new ATOM 0 HA ASN A 992 2.961 -0.472 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.733 -2.833 7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 992 5.390 -2.264 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 992 3.022 -1.985 10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.420 -2.587 9.293 1.00 0.00 H new ATOM 1272 N SER A 993 6.185 0.195 6.783 1.00 0.00 N ATOM 1273 CA SER A 993 7.163 1.260 6.969 1.00 0.00 C ATOM 1274 C SER A 993 7.102 2.308 5.855 1.00 0.00 C ATOM 1275 O SER A 993 7.463 3.463 6.083 1.00 0.00 O ATOM 1276 CB SER A 993 8.573 0.678 7.088 1.00 0.00 C ATOM 1277 OG SER A 993 8.630 -0.305 8.110 1.00 0.00 O ATOM 0 H SER A 993 6.563 -0.666 6.388 1.00 0.00 H new ATOM 0 HA SER A 993 6.911 1.770 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.870 0.237 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.283 1.476 7.305 1.00 0.00 H new ATOM 0 HG SER A 993 9.540 -0.665 8.167 1.00 0.00 H new ATOM 1283 N ASP A 994 6.656 1.934 4.663 1.00 0.00 N ATOM 1284 CA ASP A 994 6.554 2.922 3.587 1.00 0.00 C ATOM 1285 C ASP A 994 5.450 3.944 3.882 1.00 0.00 C ATOM 1286 O ASP A 994 5.632 5.144 3.704 1.00 0.00 O ATOM 1287 CB ASP A 994 6.345 2.258 2.226 1.00 0.00 C ATOM 1288 CG ASP A 994 7.663 1.964 1.533 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.179 2.852 0.827 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.205 0.850 1.702 1.00 0.00 O ATOM 0 H ASP A 994 6.367 0.987 4.417 1.00 0.00 H new ATOM 0 HA ASP A 994 7.503 3.456 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 994 5.788 1.330 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.739 2.907 1.594 1.00 0.00 H new ATOM 1295 N LEU A 995 4.306 3.447 4.343 1.00 0.00 N ATOM 1296 CA LEU A 995 3.206 4.284 4.828 1.00 0.00 C ATOM 1297 C LEU A 995 3.618 5.025 6.091 1.00 0.00 C ATOM 1298 O LEU A 995 3.046 6.067 6.401 1.00 0.00 O ATOM 1299 CB LEU A 995 1.945 3.452 5.098 1.00 0.00 C ATOM 1300 CG LEU A 995 1.887 2.781 6.479 1.00 0.00 C ATOM 1301 CD1 LEU A 995 0.998 3.572 7.430 1.00 0.00 C ATOM 1302 CD2 LEU A 995 1.405 1.344 6.372 1.00 0.00 C ATOM 0 H LEU A 995 4.112 2.447 4.392 1.00 0.00 H new ATOM 0 HA LEU A 995 2.975 5.008 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.073 4.097 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.868 2.679 4.333 1.00 0.00 H new ATOM 0 HG LEU A 995 2.899 2.769 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.973 3.077 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.396 4.580 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.012 3.626 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.374 0.896 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.407 1.327 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.088 0.777 5.739 1.00 0.00 H new ATOM 1314 N ALA A 996 4.613 4.542 6.806 1.00 0.00 N ATOM 1315 CA ALA A 996 5.142 5.332 7.915 1.00 0.00 C ATOM 1316 C ALA A 996 6.014 6.471 7.378 1.00 0.00 C ATOM 1317 O ALA A 996 6.109 7.536 7.996 1.00 0.00 O ATOM 1318 CB ALA A 996 5.882 4.471 8.928 1.00 0.00 C ATOM 0 H ALA A 996 5.063 3.640 6.654 1.00 0.00 H new ATOM 0 HA ALA A 996 4.302 5.772 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 996 6.258 5.100 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 996 5.201 3.724 9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.718 3.971 8.439 1.00 0.00 H new ATOM 1324 N GLU A 997 6.584 6.285 6.199 1.00 0.00 N ATOM 1325 CA GLU A 997 7.279 7.371 5.515 1.00 0.00 C ATOM 1326 C GLU A 997 6.254 8.337 4.920 1.00 0.00 C ATOM 1327 O GLU A 997 6.382 9.558 5.043 1.00 0.00 O ATOM 1328 CB GLU A 997 8.183 6.817 4.410 1.00 0.00 C ATOM 1329 CG GLU A 997 8.809 7.886 3.527 1.00 0.00 C ATOM 1330 CD GLU A 997 9.836 8.733 4.246 1.00 0.00 C ATOM 1331 OE1 GLU A 997 9.488 9.386 5.249 1.00 0.00 O ATOM 1332 OE2 GLU A 997 10.994 8.787 3.789 1.00 0.00 O ATOM 0 H GLU A 997 6.581 5.398 5.695 1.00 0.00 H new ATOM 0 HA GLU A 997 7.902 7.902 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.978 6.227 4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.602 6.139 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.280 7.408 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.022 8.533 3.139 1.00 0.00 H new ATOM 1339 N LEU A 998 5.218 7.764 4.312 1.00 0.00 N ATOM 1340 CA LEU A 998 4.173 8.532 3.647 1.00 0.00 C ATOM 1341 C LEU A 998 3.520 9.535 4.593 1.00 0.00 C ATOM 1342 O LEU A 998 3.386 10.717 4.271 1.00 0.00 O ATOM 1343 CB LEU A 998 3.107 7.581 3.106 1.00 0.00 C ATOM 1344 CG LEU A 998 1.683 8.140 3.068 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.264 8.447 1.647 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.709 7.168 3.711 1.00 0.00 C ATOM 0 H LEU A 998 5.081 6.754 4.267 1.00 0.00 H new ATOM 0 HA LEU A 998 4.635 9.088 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.389 7.284 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.108 6.678 3.716 1.00 0.00 H new ATOM 0 HG LEU A 998 1.669 9.070 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.249 8.843 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.942 9.185 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.299 7.534 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.298 7.584 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.731 6.221 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.994 7.001 4.750 1.00 0.00 H new ATOM 1358 N ILE A 999 3.152 9.062 5.775 1.00 0.00 N ATOM 1359 CA ILE A 999 2.420 9.885 6.734 1.00 0.00 C ATOM 1360 C ILE A 999 3.304 10.995 7.309 1.00 0.00 C ATOM 1361 O ILE A 999 2.841 12.115 7.505 1.00 0.00 O ATOM 1362 CB ILE A 999 1.828 9.022 7.878 1.00 0.00 C ATOM 1363 CG1 ILE A 999 0.841 7.988 7.313 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.142 9.899 8.918 1.00 0.00 C ATOM 1365 CD1 ILE A 999 -0.331 8.603 6.579 1.00 0.00 C ATOM 0 H ILE A 999 3.347 8.113 6.095 1.00 0.00 H new ATOM 0 HA ILE A 999 1.596 10.352 6.194 1.00 0.00 H new ATOM 0 HB ILE A 999 2.647 8.493 8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 999 1.375 7.323 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 999 0.464 7.374 8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.734 9.272 9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 999 1.866 10.595 9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.334 10.459 8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.984 7.813 6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -0.889 9.246 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.035 9.194 5.739 1.00 0.00 H new ATOM 1377 N ASN A1000 4.580 10.696 7.553 1.00 0.00 N ATOM 1378 CA ASN A1000 5.505 11.699 8.103 1.00 0.00 C ATOM 1379 C ASN A1000 5.708 12.874 7.142 1.00 0.00 C ATOM 1380 O ASN A1000 5.820 14.025 7.560 1.00 0.00 O ATOM 1381 CB ASN A1000 6.860 11.065 8.438 1.00 0.00 C ATOM 1382 CG ASN A1000 6.912 10.524 9.855 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.288 11.233 10.791 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.550 9.260 10.025 1.00 0.00 N ATOM 0 H ASN A1000 4.997 9.781 7.383 1.00 0.00 H new ATOM 0 HA ASN A1000 5.052 12.082 9.017 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.063 10.256 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.648 11.807 8.306 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.577 8.842 10.955 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.244 8.705 9.226 1.00 0.00 H new ATOM 1391 N LYS A1001 5.725 12.577 5.854 1.00 0.00 N ATOM 1392 CA LYS A1001 5.985 13.588 4.830 1.00 0.00 C ATOM 1393 C LYS A1001 4.712 14.360 4.509 1.00 0.00 C ATOM 1394 O LYS A1001 4.733 15.572 4.288 1.00 0.00 O ATOM 1395 CB LYS A1001 6.566 12.928 3.578 1.00 0.00 C ATOM 1396 CG LYS A1001 8.054 12.631 3.696 1.00 0.00 C ATOM 1397 CD LYS A1001 8.526 11.693 2.599 1.00 0.00 C ATOM 1398 CE LYS A1001 10.031 11.785 2.385 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.806 11.602 3.643 1.00 0.00 N ATOM 0 H LYS A1001 5.561 11.640 5.486 1.00 0.00 H new ATOM 0 HA LYS A1001 6.718 14.300 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.030 11.999 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.398 13.579 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.617 13.563 3.645 1.00 0.00 H new ATOM 0 HG3 LYS A1001 8.261 12.186 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.257 10.668 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.011 11.933 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.337 11.029 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.273 12.756 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 11.584 12.291 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 10.180 11.748 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 11.196 10.638 3.674 1.00 0.00 H new ATOM 1413 N MET A1002 3.600 13.649 4.550 1.00 0.00 N ATOM 1414 CA MET A1002 2.286 14.253 4.409 1.00 0.00 C ATOM 1415 C MET A1002 2.093 15.257 5.534 1.00 0.00 C ATOM 1416 O MET A1002 1.438 16.301 5.389 1.00 0.00 O ATOM 1417 CB MET A1002 1.215 13.161 4.519 1.00 0.00 C ATOM 1418 CG MET A1002 -0.209 13.682 4.459 1.00 0.00 C ATOM 1419 SD MET A1002 -0.921 13.602 2.808 1.00 0.00 S ATOM 1420 CE MET A1002 -1.209 11.838 2.671 1.00 0.00 C ATOM 0 H MET A1002 3.581 12.638 4.682 1.00 0.00 H new ATOM 0 HA MET A1002 2.202 14.750 3.443 1.00 0.00 H new ATOM 0 HB2 MET A1002 1.361 12.441 3.714 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.355 12.623 5.457 1.00 0.00 H new ATOM 0 HG2 MET A1002 -0.830 13.105 5.144 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.227 14.715 4.806 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.516 11.597 1.653 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.292 11.300 2.910 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.995 11.542 3.367 1.00 0.00 H new ATOM 1430 N LYS A1003 2.752 14.954 6.641 1.00 0.00 N ATOM 1431 CA LYS A1003 2.492 15.614 7.895 1.00 0.00 C ATOM 1432 C LYS A1003 3.051 17.027 7.894 1.00 0.00 C ATOM 1433 O LYS A1003 2.337 17.987 8.172 1.00 0.00 O ATOM 1434 CB LYS A1003 3.097 14.811 9.048 1.00 0.00 C ATOM 1435 CG LYS A1003 2.144 14.606 10.214 1.00 0.00 C ATOM 1436 CD LYS A1003 0.954 13.752 9.806 1.00 0.00 C ATOM 1437 CE LYS A1003 -0.040 13.593 10.944 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.568 12.954 12.141 1.00 0.00 N ATOM 0 H LYS A1003 3.481 14.242 6.688 1.00 0.00 H new ATOM 0 HA LYS A1003 1.412 15.675 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.415 13.838 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A1003 3.991 15.322 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.672 14.128 11.039 1.00 0.00 H new ATOM 0 HG3 LYS A1003 1.794 15.573 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.457 14.207 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.303 12.770 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.434 14.572 11.218 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -0.884 12.993 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -0.181 12.697 12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.083 12.098 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 1.228 13.619 12.592 1.00 0.00 H new ATOM 1452 N LEU A1004 4.328 17.156 7.562 1.00 0.00 N ATOM 1453 CA LEU A1004 4.985 18.458 7.559 1.00 0.00 C ATOM 1454 C LEU A1004 4.604 19.277 6.339 1.00 0.00 C ATOM 1455 O LEU A1004 4.837 20.483 6.313 1.00 0.00 O ATOM 1456 CB LEU A1004 6.509 18.337 7.643 1.00 0.00 C ATOM 1457 CG LEU A1004 7.071 17.936 9.015 1.00 0.00 C ATOM 1458 CD1 LEU A1004 6.778 16.477 9.329 1.00 0.00 C ATOM 1459 CD2 LEU A1004 8.565 18.209 9.079 1.00 0.00 C ATOM 0 H LEU A1004 4.929 16.378 7.292 1.00 0.00 H new ATOM 0 HA LEU A1004 4.634 18.975 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.838 17.603 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.947 19.293 7.357 1.00 0.00 H new ATOM 0 HG LEU A1004 6.574 18.544 9.771 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.189 16.226 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A1004 5.700 16.316 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.235 15.843 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A1004 8.946 17.919 10.058 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.074 17.633 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A1004 8.748 19.272 8.919 1.00 0.00 H new ATOM 1471 N ALA A1005 3.993 18.654 5.345 1.00 0.00 N ATOM 1472 CA ALA A1005 3.601 19.407 4.169 1.00 0.00 C ATOM 1473 C ALA A1005 2.470 20.359 4.531 1.00 0.00 C ATOM 1474 O ALA A1005 2.507 21.516 4.146 1.00 0.00 O ATOM 1475 CB ALA A1005 3.229 18.501 3.006 1.00 0.00 C ATOM 0 H ALA A1005 3.764 17.660 5.327 1.00 0.00 H new ATOM 0 HA ALA A1005 4.457 19.991 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.942 19.109 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.084 17.880 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.393 17.864 3.294 1.00 0.00 H new ATOM 1481 N GLN A1006 1.474 19.897 5.278 1.00 0.00 N ATOM 1482 CA GLN A1006 0.479 20.821 5.831 1.00 0.00 C ATOM 1483 C GLN A1006 1.067 21.665 6.955 1.00 0.00 C ATOM 1484 O GLN A1006 0.710 22.841 7.076 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.786 20.101 6.302 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.528 18.956 7.270 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.744 19.359 8.717 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.594 20.196 9.016 1.00 0.00 O ATOM 1489 NE2 GLN A1006 0.036 18.787 9.618 1.00 0.00 N ATOM 0 H GLN A1006 1.331 18.915 5.513 1.00 0.00 H new ATOM 0 HA GLN A1006 0.190 21.487 5.018 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.446 20.825 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.316 19.714 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.187 18.123 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.495 18.601 7.144 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.729 18.097 9.328 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.055 19.036 10.603 1.00 0.00 H new ATOM 1498 N GLN A1007 1.986 21.099 7.738 1.00 0.00 N ATOM 1499 CA GLN A1007 2.653 21.857 8.798 1.00 0.00 C ATOM 1500 C GLN A1007 3.135 23.208 8.280 1.00 0.00 C ATOM 1501 O GLN A1007 2.878 24.247 8.886 1.00 0.00 O ATOM 1502 CB GLN A1007 3.822 21.070 9.382 1.00 0.00 C ATOM 1503 CG GLN A1007 3.405 20.067 10.439 1.00 0.00 C ATOM 1504 CD GLN A1007 4.590 19.359 11.053 1.00 0.00 C ATOM 1505 OE1 GLN A1007 5.687 19.910 11.137 1.00 0.00 O ATOM 1506 NE2 GLN A1007 4.378 18.134 11.490 1.00 0.00 N ATOM 0 H GLN A1007 2.284 20.127 7.660 1.00 0.00 H new ATOM 0 HA GLN A1007 1.924 22.029 9.590 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.335 20.545 8.576 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.539 21.767 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.844 20.578 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A1007 2.734 19.331 9.995 1.00 0.00 H new ATOM 0 HE21 GLN A1007 3.453 17.714 11.401 1.00 0.00 H new ATOM 0 HE22 GLN A1007 5.139 17.606 11.917 1.00 0.00 H new ATOM 1515 N TYR A1008 3.818 23.203 7.147 1.00 0.00 N ATOM 1516 CA TYR A1008 4.152 24.453 6.491 1.00 0.00 C ATOM 1517 C TYR A1008 3.658 24.449 5.052 1.00 0.00 C ATOM 1518 O TYR A1008 4.395 24.789 4.122 1.00 0.00 O ATOM 1519 CB TYR A1008 5.648 24.738 6.558 1.00 0.00 C ATOM 1520 CG TYR A1008 6.145 25.069 7.947 1.00 0.00 C ATOM 1521 CD1 TYR A1008 6.561 24.069 8.817 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.193 26.385 8.391 1.00 0.00 C ATOM 1523 CE1 TYR A1008 7.012 24.370 10.086 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.644 26.695 9.660 1.00 0.00 C ATOM 1525 CZ TYR A1008 7.051 25.683 10.504 1.00 0.00 C ATOM 1526 OH TYR A1008 7.495 25.985 11.771 1.00 0.00 O ATOM 0 H TYR A1008 4.146 22.363 6.671 1.00 0.00 H new ATOM 0 HA TYR A1008 3.646 25.257 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.191 23.869 6.186 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.880 25.569 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A1008 6.531 23.039 8.495 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.872 27.179 7.733 1.00 0.00 H new ATOM 0 HE1 TYR A1008 7.333 23.580 10.749 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.678 27.723 9.989 1.00 0.00 H new ATOM 0 HH TYR A1008 7.461 26.955 11.907 1.00 0.00 H new ATOM 1536 N VAL A1009 2.395 24.047 4.888 1.00 0.00 N ATOM 1537 CA VAL A1009 1.680 24.147 3.610 1.00 0.00 C ATOM 1538 C VAL A1009 1.775 25.554 3.060 1.00 0.00 C ATOM 1539 O VAL A1009 1.605 25.785 1.862 1.00 0.00 O ATOM 1540 CB VAL A1009 0.192 23.785 3.778 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.484 24.766 4.726 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.515 23.755 2.430 1.00 0.00 C ATOM 0 H VAL A1009 1.837 23.642 5.639 1.00 0.00 H new ATOM 0 HA VAL A1009 2.146 23.445 2.919 1.00 0.00 H new ATOM 0 HB VAL A1009 0.125 22.786 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.535 24.500 4.836 1.00 0.00 H new ATOM 0 HG12 VAL A1009 0.005 24.727 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.406 25.775 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.564 23.497 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.444 24.736 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.044 23.010 1.788 1.00 0.00 H new ATOM 1552 N MET A1010 2.037 26.478 3.967 1.00 0.00 N ATOM 1553 CA MET A1010 2.249 27.878 3.629 1.00 0.00 C ATOM 1554 C MET A1010 3.107 28.040 2.369 1.00 0.00 C ATOM 1555 O MET A1010 2.858 28.948 1.579 1.00 0.00 O ATOM 1556 CB MET A1010 2.898 28.611 4.805 1.00 0.00 C ATOM 1557 CG MET A1010 2.077 28.558 6.085 1.00 0.00 C ATOM 1558 SD MET A1010 0.386 29.140 5.853 1.00 0.00 S ATOM 1559 CE MET A1010 -0.279 28.913 7.503 1.00 0.00 C ATOM 0 H MET A1010 2.110 26.279 4.965 1.00 0.00 H new ATOM 0 HA MET A1010 1.273 28.317 3.421 1.00 0.00 H new ATOM 0 HB2 MET A1010 3.880 28.177 4.995 1.00 0.00 H new ATOM 0 HB3 MET A1010 3.058 29.653 4.529 1.00 0.00 H new ATOM 0 HG2 MET A1010 2.056 27.533 6.456 1.00 0.00 H new ATOM 0 HG3 MET A1010 2.564 29.164 6.849 1.00 0.00 H new ATOM 0 HE1 MET A1010 -1.322 29.230 7.522 1.00 0.00 H new ATOM 0 HE2 MET A1010 -0.214 27.861 7.780 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.294 29.511 8.212 1.00 0.00 H new ATOM 1569 N THR A1011 4.111 27.164 2.175 1.00 0.00 N ATOM 1570 CA THR A1011 4.929 27.210 0.951 1.00 0.00 C ATOM 1571 C THR A1011 5.825 25.973 0.748 1.00 0.00 C ATOM 1572 O THR A1011 5.405 24.949 0.175 1.00 0.00 O ATOM 1573 CB THR A1011 5.838 28.463 0.914 1.00 0.00 C ATOM 1574 OG1 THR A1011 6.015 28.988 2.238 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.281 29.538 -0.011 1.00 0.00 C ATOM 0 H THR A1011 4.371 26.431 2.835 1.00 0.00 H new ATOM 0 HA THR A1011 4.197 27.240 0.144 1.00 0.00 H new ATOM 0 HB THR A1011 6.806 28.157 0.518 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.593 29.779 2.202 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.947 30.401 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A1011 5.203 29.142 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A1011 4.294 29.842 0.337 1.00 0.00 H new ATOM 1583 N SER A1012 7.056 26.092 1.247 1.00 0.00 N ATOM 1584 CA SER A1012 8.159 25.199 0.897 1.00 0.00 C ATOM 1585 C SER A1012 7.825 23.722 1.090 1.00 0.00 C ATOM 1586 O SER A1012 7.799 22.959 0.117 1.00 0.00 O ATOM 1587 CB SER A1012 9.390 25.574 1.718 1.00 0.00 C ATOM 1588 OG SER A1012 9.628 26.970 1.643 1.00 0.00 O ATOM 0 H SER A1012 7.317 26.819 1.913 1.00 0.00 H new ATOM 0 HA SER A1012 8.356 25.330 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.246 25.279 2.757 1.00 0.00 H new ATOM 0 HB3 SER A1012 10.260 25.030 1.350 1.00 0.00 H new ATOM 0 HG SER A1012 10.419 27.196 2.175 1.00 0.00 H new ATOM 1594 N LEU A1013 7.589 23.322 2.338 1.00 0.00 N ATOM 1595 CA LEU A1013 7.307 21.927 2.663 1.00 0.00 C ATOM 1596 C LEU A1013 6.193 21.386 1.823 1.00 0.00 C ATOM 1597 O LEU A1013 6.270 20.260 1.363 1.00 0.00 O ATOM 1598 CB LEU A1013 6.905 21.742 4.126 1.00 0.00 C ATOM 1599 CG LEU A1013 7.986 22.138 5.157 1.00 0.00 C ATOM 1600 CD1 LEU A1013 8.293 23.627 5.136 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.591 21.697 6.555 1.00 0.00 C ATOM 0 H LEU A1013 7.588 23.948 3.143 1.00 0.00 H new ATOM 0 HA LEU A1013 8.234 21.389 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.008 22.332 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.639 20.697 4.284 1.00 0.00 H new ATOM 0 HG LEU A1013 8.899 21.617 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A1013 9.058 23.851 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A1013 8.653 23.910 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A1013 7.388 24.188 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.368 21.988 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A1013 6.651 22.172 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A1013 7.470 20.614 6.574 1.00 0.00 H new ATOM 1613 N GLN A1014 5.173 22.197 1.606 1.00 0.00 N ATOM 1614 CA GLN A1014 3.951 21.695 1.032 1.00 0.00 C ATOM 1615 C GLN A1014 4.235 20.968 -0.275 1.00 0.00 C ATOM 1616 O GLN A1014 3.789 19.851 -0.482 1.00 0.00 O ATOM 1617 CB GLN A1014 2.953 22.819 0.809 1.00 0.00 C ATOM 1618 CG GLN A1014 1.802 22.409 -0.086 1.00 0.00 C ATOM 1619 CD GLN A1014 1.584 23.359 -1.249 1.00 0.00 C ATOM 1620 OE1 GLN A1014 2.665 23.938 -1.753 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 0.461 23.558 -1.706 1.00 0.00 N flip ATOM 0 H GLN A1014 5.171 23.195 1.818 1.00 0.00 H new ATOM 0 HA GLN A1014 3.513 20.987 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.561 23.147 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.466 23.673 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.990 21.407 -0.473 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.889 22.356 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.348 23.094 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A1014 0.337 24.187 -2.500 1.00 0.00 H new ATOM 1630 N GLN A1015 5.017 21.609 -1.144 1.00 0.00 N ATOM 1631 CA GLN A1015 5.334 21.005 -2.438 1.00 0.00 C ATOM 1632 C GLN A1015 6.293 19.816 -2.287 1.00 0.00 C ATOM 1633 O GLN A1015 6.040 18.745 -2.829 1.00 0.00 O ATOM 1634 CB GLN A1015 5.927 22.029 -3.406 1.00 0.00 C ATOM 1635 CG GLN A1015 5.011 23.201 -3.720 1.00 0.00 C ATOM 1636 CD GLN A1015 5.612 24.154 -4.735 1.00 0.00 C ATOM 1637 OE1 GLN A1015 6.932 24.257 -4.744 1.00 0.00 O flip ATOM 1638 NE2 GLN A1015 4.896 24.796 -5.503 1.00 0.00 N flip ATOM 0 H GLN A1015 5.434 22.525 -0.982 1.00 0.00 H new ATOM 0 HA GLN A1015 4.393 20.641 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A1015 6.856 22.413 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A1015 6.183 21.524 -4.337 1.00 0.00 H new ATOM 0 HG2 GLN A1015 4.061 22.824 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A1015 4.794 23.745 -2.800 1.00 0.00 H new ATOM 0 HE21 GLN A1015 3.882 24.689 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A1015 5.316 25.435 -6.178 1.00 0.00 H new ATOM 1647 N GLU A1016 7.369 19.992 -1.529 1.00 0.00 N ATOM 1648 CA GLU A1016 8.386 18.947 -1.380 1.00 0.00 C ATOM 1649 C GLU A1016 7.835 17.743 -0.620 1.00 0.00 C ATOM 1650 O GLU A1016 7.848 16.619 -1.115 1.00 0.00 O ATOM 1651 CB GLU A1016 9.602 19.494 -0.634 1.00 0.00 C ATOM 1652 CG GLU A1016 10.692 18.454 -0.434 1.00 0.00 C ATOM 1653 CD GLU A1016 11.885 18.993 0.317 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.570 19.886 -0.218 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.150 18.517 1.441 1.00 0.00 O ATOM 0 H GLU A1016 7.564 20.846 -1.007 1.00 0.00 H new ATOM 0 HA GLU A1016 8.679 18.628 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.011 20.339 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.285 19.872 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.281 17.603 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A1016 11.017 18.084 -1.406 1.00 0.00 H new ATOM 1662 N TYR A1017 7.340 18.008 0.571 1.00 0.00 N ATOM 1663 CA TYR A1017 6.825 16.992 1.470 1.00 0.00 C ATOM 1664 C TYR A1017 5.724 16.153 0.857 1.00 0.00 C ATOM 1665 O TYR A1017 5.641 14.959 1.089 1.00 0.00 O ATOM 1666 CB TYR A1017 6.299 17.690 2.704 1.00 0.00 C ATOM 1667 CG TYR A1017 7.396 17.788 3.739 1.00 0.00 C ATOM 1668 CD1 TYR A1017 7.578 16.781 4.674 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.284 18.852 3.741 1.00 0.00 C ATOM 1670 CE1 TYR A1017 8.610 16.836 5.589 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.313 18.921 4.660 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.473 17.908 5.578 1.00 0.00 C ATOM 1673 OH TYR A1017 10.506 17.960 6.484 1.00 0.00 O ATOM 0 H TYR A1017 7.283 18.953 0.950 1.00 0.00 H new ATOM 0 HA TYR A1017 7.638 16.306 1.705 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.940 18.686 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.450 17.141 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A1017 6.901 15.939 4.687 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.170 19.640 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A1017 8.740 16.042 6.310 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.988 19.764 4.658 1.00 0.00 H new ATOM 0 HH TYR A1017 11.024 18.780 6.343 1.00 0.00 H new ATOM 1683 N LYS A1018 4.869 16.827 0.083 1.00 0.00 N ATOM 1684 CA LYS A1018 3.706 16.218 -0.552 1.00 0.00 C ATOM 1685 C LYS A1018 4.110 15.466 -1.813 1.00 0.00 C ATOM 1686 O LYS A1018 3.477 14.478 -2.187 1.00 0.00 O ATOM 1687 CB LYS A1018 2.675 17.290 -0.900 1.00 0.00 C ATOM 1688 CG LYS A1018 1.422 16.761 -1.565 1.00 0.00 C ATOM 1689 CD LYS A1018 0.504 16.067 -0.574 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.711 15.501 -1.279 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.399 16.542 -2.079 1.00 0.00 N ATOM 0 H LYS A1018 4.969 17.822 -0.120 1.00 0.00 H new ATOM 0 HA LYS A1018 3.267 15.510 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.393 17.815 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.140 18.023 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.888 17.584 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.698 16.062 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.044 15.266 -0.069 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.189 16.773 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.408 14.680 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -1.402 15.088 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.355 16.215 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.466 17.419 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -0.860 16.724 -2.949 1.00 0.00 H new ATOM 1705 N LYS A1019 5.151 15.938 -2.481 1.00 0.00 N ATOM 1706 CA LYS A1019 5.682 15.214 -3.625 1.00 0.00 C ATOM 1707 C LYS A1019 6.364 13.962 -3.123 1.00 0.00 C ATOM 1708 O LYS A1019 6.054 12.868 -3.562 1.00 0.00 O ATOM 1709 CB LYS A1019 6.641 16.075 -4.451 1.00 0.00 C ATOM 1710 CG LYS A1019 5.978 16.734 -5.652 1.00 0.00 C ATOM 1711 CD LYS A1019 4.754 17.540 -5.249 1.00 0.00 C ATOM 1712 CE LYS A1019 4.088 18.196 -6.447 1.00 0.00 C ATOM 1713 NZ LYS A1019 5.047 18.997 -7.253 1.00 0.00 N ATOM 0 H LYS A1019 5.638 16.805 -2.256 1.00 0.00 H new ATOM 0 HA LYS A1019 4.862 14.947 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A1019 7.067 16.848 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.468 15.455 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.695 17.386 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.689 15.969 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.039 16.888 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A1019 5.044 18.306 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.639 17.428 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.278 18.840 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.522 19.610 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.627 19.584 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.664 18.358 -7.794 1.00 0.00 H new ATOM 1727 N GLN A1020 7.271 14.143 -2.180 1.00 0.00 N ATOM 1728 CA GLN A1020 7.786 13.056 -1.364 1.00 0.00 C ATOM 1729 C GLN A1020 6.650 12.239 -0.757 1.00 0.00 C ATOM 1730 O GLN A1020 6.783 11.032 -0.595 1.00 0.00 O ATOM 1731 CB GLN A1020 8.661 13.624 -0.248 1.00 0.00 C ATOM 1732 CG GLN A1020 9.972 14.217 -0.734 1.00 0.00 C ATOM 1733 CD GLN A1020 10.776 14.849 0.387 1.00 0.00 C ATOM 1734 OE1 GLN A1020 10.087 15.404 1.377 1.00 0.00 O flip ATOM 1735 NE2 GLN A1020 12.003 14.851 0.362 1.00 0.00 N flip ATOM 0 H GLN A1020 7.674 15.053 -1.957 1.00 0.00 H new ATOM 0 HA GLN A1020 8.378 12.399 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN A1020 8.101 14.393 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.876 12.833 0.470 1.00 0.00 H new ATOM 0 HG2 GLN A1020 10.567 13.436 -1.207 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.767 14.968 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A1020 12.498 14.414 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A1020 12.528 15.289 1.119 1.00 0.00 H new ATOM 1744 N MET A1021 5.532 12.876 -0.444 1.00 0.00 N ATOM 1745 CA MET A1021 4.389 12.155 0.085 1.00 0.00 C ATOM 1746 C MET A1021 3.853 11.221 -0.974 1.00 0.00 C ATOM 1747 O MET A1021 3.706 10.034 -0.724 1.00 0.00 O ATOM 1748 CB MET A1021 3.294 13.119 0.572 1.00 0.00 C ATOM 1749 CG MET A1021 2.149 12.459 1.334 1.00 0.00 C ATOM 1750 SD MET A1021 1.133 11.352 0.331 1.00 0.00 S ATOM 1751 CE MET A1021 0.492 12.454 -0.921 1.00 0.00 C ATOM 0 H MET A1021 5.394 13.881 -0.546 1.00 0.00 H new ATOM 0 HA MET A1021 4.711 11.573 0.948 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.752 13.871 1.214 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.882 13.644 -0.290 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.561 11.896 2.171 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.512 13.237 1.755 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.375 11.911 -1.859 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.476 12.842 -0.603 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.185 13.282 -1.066 1.00 0.00 H new ATOM 1761 N LEU A1022 3.609 11.730 -2.179 1.00 0.00 N ATOM 1762 CA LEU A1022 3.033 10.882 -3.204 1.00 0.00 C ATOM 1763 C LEU A1022 4.130 10.034 -3.848 1.00 0.00 C ATOM 1764 O LEU A1022 3.860 9.189 -4.686 1.00 0.00 O ATOM 1765 CB LEU A1022 2.239 11.703 -4.242 1.00 0.00 C ATOM 1766 CG LEU A1022 2.772 11.658 -5.679 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.663 11.990 -6.665 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.927 12.632 -5.856 1.00 0.00 C ATOM 0 H LEU A1022 3.795 12.693 -2.459 1.00 0.00 H new ATOM 0 HA LEU A1022 2.313 10.208 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.208 11.349 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.217 12.743 -3.915 1.00 0.00 H new ATOM 0 HG LEU A1022 3.133 10.648 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.057 11.954 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A1022 0.856 11.265 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.280 12.990 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.290 12.584 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.586 13.644 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.734 12.367 -5.173 1.00 0.00 H new ATOM 1780 N THR A1023 5.377 10.287 -3.451 1.00 0.00 N ATOM 1781 CA THR A1023 6.503 9.468 -3.875 1.00 0.00 C ATOM 1782 C THR A1023 6.675 8.307 -2.906 1.00 0.00 C ATOM 1783 O THR A1023 7.012 7.202 -3.308 1.00 0.00 O ATOM 1784 CB THR A1023 7.814 10.283 -3.957 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.655 11.369 -4.882 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.982 9.409 -4.398 1.00 0.00 C ATOM 0 H THR A1023 5.630 11.058 -2.833 1.00 0.00 H new ATOM 0 HA THR A1023 6.289 9.094 -4.876 1.00 0.00 H new ATOM 0 HB THR A1023 8.031 10.672 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A1023 6.988 11.998 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.889 10.011 -4.446 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.121 8.599 -3.682 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.772 8.990 -5.382 1.00 0.00 H new ATOM 1794 N ALA A1024 6.419 8.563 -1.630 1.00 0.00 N ATOM 1795 CA ALA A1024 6.351 7.504 -0.637 1.00 0.00 C ATOM 1796 C ALA A1024 5.015 6.795 -0.762 1.00 0.00 C ATOM 1797 O ALA A1024 4.853 5.668 -0.324 1.00 0.00 O ATOM 1798 CB ALA A1024 6.547 8.060 0.764 1.00 0.00 C ATOM 0 H ALA A1024 6.255 9.499 -1.259 1.00 0.00 H new ATOM 0 HA ALA A1024 7.154 6.789 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.492 7.248 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.523 8.541 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.767 8.791 0.978 1.00 0.00 H new ATOM 1804 N ALA A1025 4.059 7.491 -1.352 1.00 0.00 N ATOM 1805 CA ALA A1025 2.796 6.904 -1.764 1.00 0.00 C ATOM 1806 C ALA A1025 2.929 6.275 -3.149 1.00 0.00 C ATOM 1807 O ALA A1025 2.154 5.399 -3.499 1.00 0.00 O ATOM 1808 CB ALA A1025 1.671 7.921 -1.713 1.00 0.00 C ATOM 0 H ALA A1025 4.138 8.486 -1.560 1.00 0.00 H new ATOM 0 HA ALA A1025 2.539 6.113 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.740 7.450 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.563 8.294 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.901 8.751 -2.381 1.00 0.00 H new ATOM 1814 N HIS A1026 3.882 6.730 -3.952 1.00 0.00 N ATOM 1815 CA HIS A1026 4.261 5.984 -5.154 1.00 0.00 C ATOM 1816 C HIS A1026 5.127 4.803 -4.744 1.00 0.00 C ATOM 1817 O HIS A1026 5.191 3.810 -5.441 1.00 0.00 O ATOM 1818 CB HIS A1026 4.969 6.875 -6.191 1.00 0.00 C ATOM 1819 CG HIS A1026 5.345 6.170 -7.467 1.00 0.00 C ATOM 1820 ND1 HIS A1026 4.605 6.259 -8.626 1.00 0.00 N ATOM 1821 CD2 HIS A1026 6.402 5.374 -7.762 1.00 0.00 C ATOM 1822 CE1 HIS A1026 5.186 5.546 -9.574 1.00 0.00 C ATOM 1823 NE2 HIS A1026 6.277 5.002 -9.074 1.00 0.00 N ATOM 0 H HIS A1026 4.401 7.595 -3.801 1.00 0.00 H new ATOM 0 HA HIS A1026 3.358 5.619 -5.643 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.319 7.716 -6.433 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.871 7.289 -5.740 1.00 0.00 H new ATOM 0 HD2 HIS A1026 7.195 5.087 -7.088 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.828 5.429 -10.586 1.00 0.00 H new ATOM 0 HE2 HIS A1026 6.925 4.400 -9.583 1.00 0.00 H new ATOM 1832 N ALA A1027 5.768 4.925 -3.595 1.00 0.00 N ATOM 1833 CA ALA A1027 6.386 3.805 -2.882 1.00 0.00 C ATOM 1834 C ALA A1027 5.310 2.937 -2.252 1.00 0.00 C ATOM 1835 O ALA A1027 5.420 1.711 -2.271 1.00 0.00 O ATOM 1836 CB ALA A1027 7.327 4.332 -1.811 1.00 0.00 C ATOM 0 H ALA A1027 5.879 5.819 -3.117 1.00 0.00 H new ATOM 0 HA ALA A1027 6.957 3.202 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.784 3.494 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A1027 8.106 4.936 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.767 4.944 -1.104 1.00 0.00 H new ATOM 1842 N LEU A1028 4.274 3.545 -1.705 1.00 0.00 N ATOM 1843 CA LEU A1028 3.098 2.788 -1.316 1.00 0.00 C ATOM 1844 C LEU A1028 2.520 2.099 -2.539 1.00 0.00 C ATOM 1845 O LEU A1028 2.184 0.930 -2.480 1.00 0.00 O ATOM 1846 CB LEU A1028 2.043 3.676 -0.659 1.00 0.00 C ATOM 1847 CG LEU A1028 2.408 4.243 0.706 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.208 4.957 1.283 1.00 0.00 C ATOM 1849 CD2 LEU A1028 2.865 3.129 1.628 1.00 0.00 C ATOM 0 H LEU A1028 4.221 4.547 -1.522 1.00 0.00 H new ATOM 0 HA LEU A1028 3.398 2.044 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.826 4.507 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.123 3.100 -0.558 1.00 0.00 H new ATOM 0 HG LEU A1028 3.228 4.953 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.463 5.365 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.912 5.768 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.382 4.254 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.124 3.546 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.062 2.402 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.739 2.638 1.200 1.00 0.00 H new ATOM 1861 N ALA A1029 2.415 2.821 -3.643 1.00 0.00 N ATOM 1862 CA ALA A1029 2.007 2.231 -4.911 1.00 0.00 C ATOM 1863 C ALA A1029 2.991 1.156 -5.368 1.00 0.00 C ATOM 1864 O ALA A1029 2.593 0.154 -5.960 1.00 0.00 O ATOM 1865 CB ALA A1029 1.870 3.305 -5.979 1.00 0.00 C ATOM 0 H ALA A1029 2.607 3.822 -3.688 1.00 0.00 H new ATOM 0 HA ALA A1029 1.037 1.757 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.565 2.846 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A1029 1.119 4.032 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.828 3.807 -6.115 1.00 0.00 H new ATOM 1871 N VAL A1030 4.275 1.361 -5.084 1.00 0.00 N ATOM 1872 CA VAL A1030 5.293 0.405 -5.484 1.00 0.00 C ATOM 1873 C VAL A1030 5.107 -0.892 -4.720 1.00 0.00 C ATOM 1874 O VAL A1030 5.055 -1.967 -5.313 1.00 0.00 O ATOM 1875 CB VAL A1030 6.732 0.944 -5.270 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.743 -0.192 -5.161 1.00 0.00 C ATOM 1877 CG2 VAL A1030 7.131 1.869 -6.411 1.00 0.00 C ATOM 0 H VAL A1030 4.629 2.175 -4.582 1.00 0.00 H new ATOM 0 HA VAL A1030 5.172 0.230 -6.553 1.00 0.00 H new ATOM 0 HB VAL A1030 6.735 1.501 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.740 0.222 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.484 -0.830 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.728 -0.781 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A1030 8.143 2.237 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A1030 7.095 1.321 -7.353 1.00 0.00 H new ATOM 0 HG23 VAL A1030 6.441 2.712 -6.455 1.00 0.00 H new ATOM 1887 N ASP A1031 4.987 -0.786 -3.397 1.00 0.00 N ATOM 1888 CA ASP A1031 4.807 -1.970 -2.578 1.00 0.00 C ATOM 1889 C ASP A1031 3.396 -2.503 -2.722 1.00 0.00 C ATOM 1890 O ASP A1031 3.166 -3.679 -2.586 1.00 0.00 O ATOM 1891 CB ASP A1031 5.134 -1.743 -1.111 1.00 0.00 C ATOM 1892 CG ASP A1031 5.100 -3.059 -0.358 1.00 0.00 C ATOM 1893 OD1 ASP A1031 5.767 -4.018 -0.815 1.00 0.00 O ATOM 1894 OD2 ASP A1031 4.405 -3.147 0.666 1.00 0.00 O ATOM 0 H ASP A1031 5.011 0.094 -2.882 1.00 0.00 H new ATOM 0 HA ASP A1031 5.519 -2.708 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A1031 6.119 -1.287 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.418 -1.047 -0.674 1.00 0.00 H new ATOM 1899 N ALA A1032 2.450 -1.630 -3.011 1.00 0.00 N ATOM 1900 CA ALA A1032 1.105 -2.072 -3.345 1.00 0.00 C ATOM 1901 C ALA A1032 1.192 -3.056 -4.503 1.00 0.00 C ATOM 1902 O ALA A1032 0.612 -4.147 -4.447 1.00 0.00 O ATOM 1903 CB ALA A1032 0.224 -0.889 -3.721 1.00 0.00 C ATOM 0 H ALA A1032 2.583 -0.619 -3.022 1.00 0.00 H new ATOM 0 HA ALA A1032 0.656 -2.556 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.777 -1.244 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.167 -0.196 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.650 -0.378 -4.585 1.00 0.00 H new ATOM 1909 N LYS A1033 1.980 -2.705 -5.511 1.00 0.00 N ATOM 1910 CA LYS A1033 2.250 -3.609 -6.614 1.00 0.00 C ATOM 1911 C LYS A1033 3.082 -4.796 -6.138 1.00 0.00 C ATOM 1912 O LYS A1033 2.848 -5.933 -6.538 1.00 0.00 O ATOM 1913 CB LYS A1033 3.023 -2.897 -7.726 1.00 0.00 C ATOM 1914 CG LYS A1033 3.344 -3.816 -8.896 1.00 0.00 C ATOM 1915 CD LYS A1033 4.382 -3.225 -9.833 1.00 0.00 C ATOM 1916 CE LYS A1033 4.815 -4.253 -10.871 1.00 0.00 C ATOM 1917 NZ LYS A1033 5.889 -3.742 -11.761 1.00 0.00 N ATOM 0 H LYS A1033 2.442 -1.799 -5.585 1.00 0.00 H new ATOM 0 HA LYS A1033 1.290 -3.954 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.439 -2.049 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.951 -2.495 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.705 -4.771 -8.515 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.430 -4.021 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.971 -2.347 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A1033 5.248 -2.891 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.165 -5.152 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A1033 3.954 -4.541 -11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 6.149 -4.477 -12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.549 -2.899 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.722 -3.491 -11.191 1.00 0.00 H new ATOM 1931 N ASN A1034 4.056 -4.510 -5.278 1.00 0.00 N ATOM 1932 CA ASN A1034 5.060 -5.493 -4.894 1.00 0.00 C ATOM 1933 C ASN A1034 4.528 -6.489 -3.875 1.00 0.00 C ATOM 1934 O ASN A1034 4.569 -7.687 -4.105 1.00 0.00 O ATOM 1935 CB ASN A1034 6.305 -4.791 -4.341 1.00 0.00 C ATOM 1936 CG ASN A1034 7.283 -5.743 -3.673 1.00 0.00 C ATOM 1937 OD1 ASN A1034 8.103 -6.378 -4.336 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.231 -5.817 -2.351 1.00 0.00 N ATOM 0 H ASN A1034 4.170 -3.599 -4.833 1.00 0.00 H new ATOM 0 HA ASN A1034 5.325 -6.052 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.812 -4.271 -5.154 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.997 -4.033 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A1034 7.885 -6.416 -1.848 1.00 0.00 H new ATOM 0 HD22 ASN A1034 6.537 -5.275 -1.837 1.00 0.00 H new ATOM 1945 N LEU A1035 4.030 -5.989 -2.753 1.00 0.00 N ATOM 1946 CA LEU A1035 3.593 -6.841 -1.668 1.00 0.00 C ATOM 1947 C LEU A1035 2.451 -7.751 -2.123 1.00 0.00 C ATOM 1948 O LEU A1035 2.436 -8.924 -1.746 1.00 0.00 O ATOM 1949 CB LEU A1035 3.218 -6.040 -0.403 1.00 0.00 C ATOM 1950 CG LEU A1035 1.715 -5.924 -0.072 1.00 0.00 C ATOM 1951 CD1 LEU A1035 1.518 -5.506 1.375 1.00 0.00 C ATOM 1952 CD2 LEU A1035 1.016 -4.924 -0.981 1.00 0.00 C ATOM 0 H LEU A1035 3.920 -4.991 -2.575 1.00 0.00 H new ATOM 0 HA LEU A1035 4.438 -7.471 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.719 -6.498 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.622 -5.033 -0.507 1.00 0.00 H new ATOM 0 HG LEU A1035 1.274 -6.907 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.452 -5.429 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.968 -6.249 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A1035 1.992 -4.539 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -0.040 -4.870 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A1035 1.471 -3.941 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A1035 1.116 -5.244 -2.018 1.00 0.00 H new ATOM 1964 N LEU A1036 1.490 -7.268 -2.930 1.00 0.00 N ATOM 1965 CA LEU A1036 0.435 -8.204 -3.300 1.00 0.00 C ATOM 1966 C LEU A1036 0.982 -9.227 -4.306 1.00 0.00 C ATOM 1967 O LEU A1036 0.556 -10.378 -4.342 1.00 0.00 O ATOM 1968 CB LEU A1036 -0.880 -7.494 -3.735 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.209 -7.326 -5.242 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -0.079 -6.679 -6.020 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -1.624 -8.648 -5.880 1.00 0.00 C ATOM 0 H LEU A1036 1.425 -6.322 -3.306 1.00 0.00 H new ATOM 0 HA LEU A1036 0.130 -8.765 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.708 -8.039 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -0.873 -6.498 -3.292 1.00 0.00 H new ATOM 0 HG LEU A1036 -2.059 -6.645 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -0.365 -6.587 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A1036 0.124 -5.689 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A1036 0.817 -7.295 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.846 -8.489 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -0.812 -9.369 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -2.511 -9.032 -5.376 1.00 0.00 H new ATOM 1983 N ASP A1037 1.970 -8.780 -5.094 1.00 0.00 N ATOM 1984 CA ASP A1037 2.699 -9.641 -6.030 1.00 0.00 C ATOM 1985 C ASP A1037 3.437 -10.713 -5.254 1.00 0.00 C ATOM 1986 O ASP A1037 3.484 -11.872 -5.633 1.00 0.00 O ATOM 1987 CB ASP A1037 3.722 -8.807 -6.812 1.00 0.00 C ATOM 1988 CG ASP A1037 4.376 -9.577 -7.946 1.00 0.00 C ATOM 1989 OD1 ASP A1037 5.365 -10.299 -7.696 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.926 -9.433 -9.104 1.00 0.00 O ATOM 0 H ASP A1037 2.285 -7.810 -5.099 1.00 0.00 H new ATOM 0 HA ASP A1037 1.991 -10.098 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A1037 3.228 -7.924 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A1037 4.494 -8.454 -6.128 1.00 0.00 H new ATOM 1995 N VAL A1038 4.022 -10.267 -4.151 1.00 0.00 N ATOM 1996 CA VAL A1038 4.747 -11.110 -3.212 1.00 0.00 C ATOM 1997 C VAL A1038 3.854 -12.192 -2.627 1.00 0.00 C ATOM 1998 O VAL A1038 4.264 -13.342 -2.566 1.00 0.00 O ATOM 1999 CB VAL A1038 5.390 -10.255 -2.088 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.842 -11.112 -0.918 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.571 -9.469 -2.637 1.00 0.00 C ATOM 0 H VAL A1038 4.005 -9.284 -3.878 1.00 0.00 H new ATOM 0 HA VAL A1038 5.545 -11.607 -3.764 1.00 0.00 H new ATOM 0 HB VAL A1038 4.629 -9.564 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A1038 6.287 -10.477 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.984 -11.638 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.580 -11.837 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A1038 7.014 -8.873 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A1038 7.317 -10.160 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A1038 6.230 -8.810 -3.435 1.00 0.00 H new ATOM 2011 N ILE A1039 2.651 -11.854 -2.208 1.00 0.00 N ATOM 2012 CA ILE A1039 1.722 -12.880 -1.763 1.00 0.00 C ATOM 2013 C ILE A1039 1.188 -13.679 -2.944 1.00 0.00 C ATOM 2014 O ILE A1039 0.953 -14.874 -2.810 1.00 0.00 O ATOM 2015 CB ILE A1039 0.579 -12.324 -0.885 1.00 0.00 C ATOM 2016 CG1 ILE A1039 1.096 -12.098 0.527 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -0.626 -13.256 -0.864 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.900 -10.831 0.699 1.00 0.00 C ATOM 0 H ILE A1039 2.296 -10.899 -2.165 1.00 0.00 H new ATOM 0 HA ILE A1039 2.287 -13.556 -1.121 1.00 0.00 H new ATOM 0 HB ILE A1039 0.247 -11.379 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.248 -12.072 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.714 -12.948 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.407 -12.827 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.006 -13.383 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.329 -14.225 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.230 -10.747 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.769 -10.860 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.282 -9.970 0.445 1.00 0.00 H new ATOM 2030 N ASP A1040 1.055 -13.055 -4.099 1.00 0.00 N ATOM 2031 CA ASP A1040 0.740 -13.797 -5.316 1.00 0.00 C ATOM 2032 C ASP A1040 1.810 -14.841 -5.571 1.00 0.00 C ATOM 2033 O ASP A1040 1.516 -16.000 -5.868 1.00 0.00 O ATOM 2034 CB ASP A1040 0.676 -12.881 -6.520 1.00 0.00 C ATOM 2035 CG ASP A1040 -0.486 -13.198 -7.436 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -0.833 -14.394 -7.582 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -1.035 -12.258 -8.044 1.00 0.00 O ATOM 0 H ASP A1040 1.158 -12.048 -4.225 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.233 -14.267 -5.173 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.595 -11.848 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.607 -12.960 -7.081 1.00 0.00 H new ATOM 2042 N GLN A1041 3.055 -14.423 -5.453 1.00 0.00 N ATOM 2043 CA GLN A1041 4.170 -15.333 -5.534 1.00 0.00 C ATOM 2044 C GLN A1041 4.047 -16.362 -4.431 1.00 0.00 C ATOM 2045 O GLN A1041 4.098 -17.555 -4.668 1.00 0.00 O ATOM 2046 CB GLN A1041 5.487 -14.596 -5.349 1.00 0.00 C ATOM 2047 CG GLN A1041 5.843 -13.633 -6.459 1.00 0.00 C ATOM 2048 CD GLN A1041 7.203 -13.014 -6.240 1.00 0.00 C ATOM 2049 OE1 GLN A1041 8.102 -13.648 -5.680 1.00 0.00 O ATOM 2050 NE2 GLN A1041 7.358 -11.771 -6.648 1.00 0.00 N ATOM 0 H GLN A1041 3.316 -13.449 -5.299 1.00 0.00 H new ATOM 0 HA GLN A1041 4.158 -15.805 -6.516 1.00 0.00 H new ATOM 0 HB2 GLN A1041 5.449 -14.045 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A1041 6.287 -15.331 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.830 -14.157 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A1041 5.090 -12.847 -6.516 1.00 0.00 H new ATOM 0 HE21 GLN A1041 6.587 -11.285 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A1041 8.249 -11.295 -6.505 1.00 0.00 H new ATOM 2059 N ALA A1042 3.822 -15.850 -3.232 1.00 0.00 N ATOM 2060 CA ALA A1042 3.808 -16.618 -1.998 1.00 0.00 C ATOM 2061 C ALA A1042 2.864 -17.793 -2.036 1.00 0.00 C ATOM 2062 O ALA A1042 3.252 -18.916 -1.726 1.00 0.00 O ATOM 2063 CB ALA A1042 3.368 -15.712 -0.880 1.00 0.00 C ATOM 0 H ALA A1042 3.638 -14.857 -3.086 1.00 0.00 H new ATOM 0 HA ALA A1042 4.816 -17.007 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.351 -16.271 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A1042 4.064 -14.878 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A1042 2.369 -15.330 -1.093 1.00 0.00 H new ATOM 2069 N ARG A1043 1.624 -17.528 -2.399 1.00 0.00 N ATOM 2070 CA ARG A1043 0.603 -18.553 -2.397 1.00 0.00 C ATOM 2071 C ARG A1043 0.960 -19.616 -3.407 1.00 0.00 C ATOM 2072 O ARG A1043 0.838 -20.799 -3.134 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.757 -17.941 -2.727 1.00 0.00 C ATOM 2074 CG ARG A1043 -0.664 -16.941 -3.857 1.00 0.00 C ATOM 2075 CD ARG A1043 -0.960 -17.535 -5.226 1.00 0.00 C ATOM 2076 NE ARG A1043 -2.373 -17.865 -5.398 1.00 0.00 N ATOM 2077 CZ ARG A1043 -3.145 -17.361 -6.361 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -2.668 -16.440 -7.194 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.406 -17.763 -6.469 1.00 0.00 N ATOM 0 H ARG A1043 1.300 -16.609 -2.700 1.00 0.00 H new ATOM 0 HA ARG A1043 0.545 -19.005 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.455 -18.733 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.160 -17.451 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -1.361 -16.125 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A1043 0.337 -16.509 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -0.659 -16.828 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -0.360 -18.434 -5.366 1.00 0.00 H new ATOM 0 HE ARG A1043 -2.795 -18.521 -4.741 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.706 -16.115 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -3.264 -16.059 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.779 -18.454 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -5.002 -17.381 -7.204 1.00 0.00 H new ATOM 2093 N LEU A1044 1.447 -19.176 -4.562 1.00 0.00 N ATOM 2094 CA LEU A1044 1.773 -20.082 -5.633 1.00 0.00 C ATOM 2095 C LEU A1044 3.034 -20.853 -5.266 1.00 0.00 C ATOM 2096 O LEU A1044 3.119 -22.068 -5.454 1.00 0.00 O ATOM 2097 CB LEU A1044 1.957 -19.318 -6.953 1.00 0.00 C ATOM 2098 CG LEU A1044 2.208 -20.179 -8.199 1.00 0.00 C ATOM 2099 CD1 LEU A1044 3.678 -20.558 -8.328 1.00 0.00 C ATOM 2100 CD2 LEU A1044 1.334 -21.427 -8.169 1.00 0.00 C ATOM 0 H LEU A1044 1.622 -18.193 -4.771 1.00 0.00 H new ATOM 0 HA LEU A1044 0.953 -20.786 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.067 -18.713 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.793 -18.629 -6.837 1.00 0.00 H new ATOM 0 HG LEU A1044 1.941 -19.585 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A1044 3.820 -21.167 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A1044 4.281 -19.654 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A1044 3.986 -21.125 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.524 -22.026 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.567 -22.013 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A1044 0.284 -21.135 -8.146 1.00 0.00 H new ATOM 2112 N LYS A1045 3.997 -20.116 -4.725 1.00 0.00 N ATOM 2113 CA LYS A1045 5.211 -20.679 -4.164 1.00 0.00 C ATOM 2114 C LYS A1045 4.857 -21.790 -3.192 1.00 0.00 C ATOM 2115 O LYS A1045 5.489 -22.825 -3.178 1.00 0.00 O ATOM 2116 CB LYS A1045 5.987 -19.597 -3.405 1.00 0.00 C ATOM 2117 CG LYS A1045 6.877 -18.687 -4.239 1.00 0.00 C ATOM 2118 CD LYS A1045 7.315 -17.496 -3.392 1.00 0.00 C ATOM 2119 CE LYS A1045 8.732 -17.042 -3.698 1.00 0.00 C ATOM 2120 NZ LYS A1045 8.833 -16.300 -4.984 1.00 0.00 N ATOM 0 H LYS A1045 3.952 -19.099 -4.665 1.00 0.00 H new ATOM 0 HA LYS A1045 5.822 -21.072 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A1045 5.270 -18.975 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A1045 6.608 -20.086 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A1045 7.749 -19.237 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A1045 6.338 -18.342 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A1045 6.629 -16.666 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A1045 7.244 -17.761 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A1045 9.088 -16.406 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A1045 9.388 -17.912 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 9.831 -16.236 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 8.294 -16.802 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 8.445 -15.343 -4.864 1.00 0.00 H new ATOM 2134 N MET A1046 3.823 -21.558 -2.393 1.00 0.00 N ATOM 2135 CA MET A1046 3.386 -22.535 -1.401 1.00 0.00 C ATOM 2136 C MET A1046 2.452 -23.603 -1.971 1.00 0.00 C ATOM 2137 O MET A1046 2.348 -24.696 -1.412 1.00 0.00 O ATOM 2138 CB MET A1046 2.737 -21.815 -0.236 1.00 0.00 C ATOM 2139 CG MET A1046 3.780 -21.333 0.743 1.00 0.00 C ATOM 2140 SD MET A1046 4.732 -22.715 1.409 1.00 0.00 S ATOM 2141 CE MET A1046 6.223 -21.911 1.980 1.00 0.00 C ATOM 0 H MET A1046 3.270 -20.701 -2.412 1.00 0.00 H new ATOM 0 HA MET A1046 4.273 -23.070 -1.061 1.00 0.00 H new ATOM 0 HB2 MET A1046 2.157 -20.968 -0.603 1.00 0.00 H new ATOM 0 HB3 MET A1046 2.040 -22.484 0.268 1.00 0.00 H new ATOM 0 HG2 MET A1046 4.450 -20.630 0.249 1.00 0.00 H new ATOM 0 HG3 MET A1046 3.297 -20.794 1.558 1.00 0.00 H new ATOM 0 HE1 MET A1046 6.761 -22.578 2.654 1.00 0.00 H new ATOM 0 HE2 MET A1046 6.856 -21.670 1.126 1.00 0.00 H new ATOM 0 HE3 MET A1046 5.962 -20.994 2.508 1.00 0.00 H new ATOM 2151 N ILE A1047 1.773 -23.296 -3.078 1.00 0.00 N ATOM 2152 CA ILE A1047 0.950 -24.280 -3.772 1.00 0.00 C ATOM 2153 C ILE A1047 1.818 -25.443 -4.206 1.00 0.00 C ATOM 2154 O ILE A1047 1.439 -26.610 -4.079 1.00 0.00 O ATOM 2155 CB ILE A1047 0.251 -23.671 -5.017 1.00 0.00 C ATOM 2156 CG1 ILE A1047 -0.847 -22.692 -4.593 1.00 0.00 C ATOM 2157 CG2 ILE A1047 -0.328 -24.761 -5.911 1.00 0.00 C ATOM 2158 CD1 ILE A1047 -1.937 -23.319 -3.747 1.00 0.00 C ATOM 0 H ILE A1047 1.779 -22.372 -3.511 1.00 0.00 H new ATOM 0 HA ILE A1047 0.176 -24.617 -3.082 1.00 0.00 H new ATOM 0 HB ILE A1047 1.003 -23.127 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -0.394 -21.873 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -1.298 -22.258 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -0.811 -24.305 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A1047 0.473 -25.418 -6.249 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -1.061 -25.341 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -2.677 -22.562 -3.487 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -2.419 -24.119 -4.309 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -1.501 -23.728 -2.836 1.00 0.00 H new ATOM 2170 N SER A1048 2.992 -25.115 -4.716 1.00 0.00 N ATOM 2171 CA SER A1048 3.949 -26.123 -5.105 1.00 0.00 C ATOM 2172 C SER A1048 5.360 -25.663 -4.759 1.00 0.00 C ATOM 2173 O SER A1048 6.142 -25.280 -5.630 1.00 0.00 O ATOM 2174 CB SER A1048 3.798 -26.432 -6.595 1.00 0.00 C ATOM 2175 OG SER A1048 2.488 -26.897 -6.877 1.00 0.00 O ATOM 0 H SER A1048 3.301 -24.155 -4.869 1.00 0.00 H new ATOM 0 HA SER A1048 3.760 -27.044 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A1048 4.006 -25.537 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A1048 4.529 -27.184 -6.892 1.00 0.00 H new ATOM 0 HG SER A1048 2.408 -27.088 -7.835 1.00 0.00 H new ATOM 2181 N GLN A1049 5.662 -25.671 -3.463 1.00 0.00 N ATOM 2182 CA GLN A1049 6.977 -25.274 -2.987 1.00 0.00 C ATOM 2183 C GLN A1049 7.938 -26.444 -3.091 1.00 0.00 C ATOM 2184 O GLN A1049 7.528 -27.604 -3.113 1.00 0.00 O ATOM 2185 CB GLN A1049 6.893 -24.775 -1.538 1.00 0.00 C ATOM 2186 CG GLN A1049 7.861 -23.653 -1.183 1.00 0.00 C ATOM 2187 CD GLN A1049 9.102 -24.143 -0.464 1.00 0.00 C ATOM 2188 OE1 GLN A1049 10.122 -24.430 -1.083 1.00 0.00 O ATOM 2189 NE2 GLN A1049 9.016 -24.255 0.850 1.00 0.00 N ATOM 0 H GLN A1049 5.012 -25.948 -2.727 1.00 0.00 H new ATOM 0 HA GLN A1049 7.347 -24.459 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A1049 5.877 -24.431 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A1049 7.075 -25.616 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A1049 8.158 -23.135 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A1049 7.348 -22.924 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A1049 8.150 -24.006 1.327 1.00 0.00 H new ATOM 0 HE22 GLN A1049 9.816 -24.590 1.387 1.00 0.00 H new ATOM 2198 N SER A1050 9.212 -26.125 -3.142 1.00 0.00 N ATOM 2199 CA SER A1050 10.256 -27.116 -3.303 1.00 0.00 C ATOM 2200 C SER A1050 11.589 -26.471 -2.946 1.00 0.00 C ATOM 2201 O SER A1050 12.443 -27.088 -2.310 1.00 0.00 O ATOM 2202 CB SER A1050 10.265 -27.657 -4.742 1.00 0.00 C ATOM 2203 OG SER A1050 10.930 -28.906 -4.838 1.00 0.00 O ATOM 0 H SER A1050 9.556 -25.167 -3.073 1.00 0.00 H new ATOM 0 HA SER A1050 10.076 -27.963 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A1050 9.239 -27.765 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A1050 10.753 -26.935 -5.397 1.00 0.00 H new ATOM 0 HG SER A1050 10.912 -29.216 -5.768 1.00 0.00 H new ATOM 2209 N ARG A1051 11.737 -25.205 -3.331 1.00 0.00 N ATOM 2210 CA ARG A1051 12.913 -24.424 -2.975 1.00 0.00 C ATOM 2211 C ARG A1051 12.582 -22.951 -2.686 1.00 0.00 C ATOM 2212 O ARG A1051 12.852 -22.468 -1.587 1.00 0.00 O ATOM 2213 CB ARG A1051 13.991 -24.507 -4.060 1.00 0.00 C ATOM 2214 CG ARG A1051 14.793 -25.797 -4.038 1.00 0.00 C ATOM 2215 CD ARG A1051 16.018 -25.688 -4.927 1.00 0.00 C ATOM 2216 NE ARG A1051 16.824 -24.520 -4.581 1.00 0.00 N ATOM 2217 CZ ARG A1051 17.653 -23.907 -5.421 1.00 0.00 C ATOM 2218 NH1 ARG A1051 17.848 -24.389 -6.642 1.00 0.00 N ATOM 2219 NH2 ARG A1051 18.301 -22.821 -5.027 1.00 0.00 N ATOM 0 H ARG A1051 11.052 -24.699 -3.892 1.00 0.00 H new ATOM 0 HA ARG A1051 13.297 -24.866 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A1051 13.518 -24.402 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A1051 14.674 -23.665 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A1051 15.099 -26.022 -3.016 1.00 0.00 H new ATOM 0 HG3 ARG A1051 14.168 -26.624 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A1051 16.622 -26.590 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A1051 15.708 -25.622 -5.970 1.00 0.00 H new ATOM 0 HE ARG A1051 16.746 -24.151 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A1051 17.361 -25.234 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A1051 18.485 -23.914 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A1051 18.163 -22.459 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A1051 18.938 -22.347 -5.667 1.00 0.00 H new ATOM 2233 N PRO A1052 11.985 -22.203 -3.646 1.00 0.00 N ATOM 2234 CA PRO A1052 11.873 -20.752 -3.545 1.00 0.00 C ATOM 2235 C PRO A1052 10.601 -20.258 -2.844 1.00 0.00 C ATOM 2236 O PRO A1052 9.515 -20.270 -3.423 1.00 0.00 O ATOM 2237 CB PRO A1052 11.880 -20.300 -5.012 1.00 0.00 C ATOM 2238 CG PRO A1052 11.602 -21.525 -5.839 1.00 0.00 C ATOM 2239 CD PRO A1052 11.372 -22.675 -4.891 1.00 0.00 C ATOM 0 HA PRO A1052 12.678 -20.345 -2.933 1.00 0.00 H new ATOM 0 HB2 PRO A1052 11.123 -19.535 -5.186 1.00 0.00 H new ATOM 0 HB3 PRO A1052 12.842 -19.863 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A1052 10.728 -21.370 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A1052 12.441 -21.738 -6.502 1.00 0.00 H new ATOM 0 HD2 PRO A1052 10.310 -22.887 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A1052 11.839 -23.593 -5.249 1.00 0.00 H new ATOM 2247 N HIS A1053 10.765 -19.840 -1.589 1.00 0.00 N ATOM 2248 CA HIS A1053 9.729 -19.135 -0.826 1.00 0.00 C ATOM 2249 C HIS A1053 10.249 -18.865 0.582 1.00 0.00 C ATOM 2250 CB HIS A1053 8.404 -19.923 -0.763 1.00 0.00 C ATOM 2251 CG HIS A1053 7.314 -19.229 0.019 1.00 0.00 C ATOM 2252 ND1 HIS A1053 6.132 -18.669 -0.365 1.00 0.00 N flip ATOM 2253 CD2 HIS A1053 7.375 -19.068 1.380 1.00 0.00 C flip ATOM 2254 CE1 HIS A1053 5.519 -18.193 0.767 1.00 0.00 C flip ATOM 2255 NE2 HIS A1053 6.292 -18.452 1.803 1.00 0.00 N flip ATOM 0 H HIS A1053 11.629 -19.982 -1.066 1.00 0.00 H new ATOM 0 HA HIS A1053 9.512 -18.197 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A1053 8.051 -20.102 -1.779 1.00 0.00 H new ATOM 0 HB3 HIS A1053 8.594 -20.898 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS A1053 8.189 -19.397 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A1053 4.564 -17.691 0.803 1.00 0.00 H new ATOM 0 HE2 HIS A1053 6.085 -18.214 2.773 1.00 0.00 H new TER 2264 HIS A1053