USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1027 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: A1003 LYS NZ :NH3+ -170:sc= 0.567 (180deg=0) USER MOD Set 1.2: A1006 GLN : amide:sc= -2.76! X(o=-2.2!,f=-1.9) USER MOD Set 2.1: A1000 ASN : amide:sc= -2.81! C(o=-2.7!,f=-11!) USER MOD Set 2.2: A1001 LYS NZ :NH3+ -135:sc= 0.0689 (180deg=-0.618) USER MOD Set 3.1: A 979 SER OG : rot 170:sc= -1.65! USER MOD Set 3.2: A1045 LYS NZ :NH3+ 175:sc= 0.17 (180deg=-0.426) USER MOD Set 4.1: A 928 ASN : amide:sc= -1.29! C(o=-0.34!,f=-6.1!) USER MOD Set 4.2: A 964 THR OG1 : rot -76:sc= 1.34 USER MOD Set 4.3: A 968 THR OG1 : rot -126:sc= -0.389 USER MOD Set 5.1: A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 954 MET CE :methyl -126:sc= -0.37 (180deg=-1.73) USER MOD Set 5.3: A1021 MET CE :methyl 146:sc= -0.551 (180deg=-2.07) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 0.537 K(o=0.54,f=-0.55) USER MOD Single : A 924 LYS NZ :NH3+ 138:sc= -0.0237 (180deg=-0.263) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot 68:sc= 0.662 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.194) USER MOD Single : A 944 GLN : amide:sc= -0.796 K(o=-0.8,f=-0.27) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ 169:sc= -0.02 (180deg=-0.171) USER MOD Single : A 972 SER OG : rot -7:sc= -2.89! USER MOD Single : A 980 THR OG1 : rot 1:sc= -1.66 USER MOD Single : A 981 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 986 MET CE :methyl -156:sc= -0.246 (180deg=-0.867) USER MOD Single : A 988 GLN : amide:sc= -6.04! C(o=-6!,f=-2.3!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 993 SER OG : rot 79:sc= 0.802 USER MOD Single : A1002 MET CE :methyl -138:sc= -1.04 (180deg=-2.3!) USER MOD Single : A1007 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.094) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -3.44 K(o=-3.4,f=-6.3!) USER MOD Single : A1015 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.033) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.19) USER MOD Single : A1023 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00982) USER MOD Single : A1034 ASN : amide:sc= -0.989 K(o=-0.99,f=-0.00024) USER MOD Single : A1041 GLN : amide:sc= -1.75 K(o=-1.7,f=-0.51) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 60:sc= 1.27 USER MOD Single : A1049 GLN : amide:sc= -0.77 K(o=-0.77,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.172 -19.509 -2.833 1.00 0.00 N ATOM 2 CA ARG A 920 -8.214 -18.554 -1.748 1.00 0.00 C ATOM 3 C ARG A 920 -8.923 -17.280 -2.176 1.00 0.00 C ATOM 4 O ARG A 920 -8.525 -16.634 -3.144 1.00 0.00 O ATOM 5 CB ARG A 920 -6.813 -18.213 -1.267 1.00 0.00 C ATOM 6 CG ARG A 920 -6.819 -17.372 -0.007 1.00 0.00 C ATOM 7 CD ARG A 920 -6.948 -18.226 1.254 1.00 0.00 C ATOM 8 NE ARG A 920 -8.061 -19.178 1.205 1.00 0.00 N ATOM 9 CZ ARG A 920 -8.542 -19.813 2.277 1.00 0.00 C ATOM 10 NH1 ARG A 920 -8.080 -19.523 3.488 1.00 0.00 N ATOM 11 NH2 ARG A 920 -9.501 -20.722 2.138 1.00 0.00 N ATOM 0 HA ARG A 920 -8.768 -19.014 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.262 -19.135 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.283 -17.678 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.900 -16.789 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.645 -16.662 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -6.018 -18.774 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -7.079 -17.571 2.115 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.493 -19.366 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -7.356 -18.814 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -8.449 -20.010 4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -9.871 -20.936 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -9.867 -21.206 2.958 1.00 0.00 H new ATOM 25 N SER A 921 -9.947 -16.913 -1.427 1.00 0.00 N ATOM 26 CA SER A 921 -10.732 -15.724 -1.716 1.00 0.00 C ATOM 27 C SER A 921 -10.061 -14.458 -1.167 1.00 0.00 C ATOM 28 O SER A 921 -10.710 -13.620 -0.542 1.00 0.00 O ATOM 29 CB SER A 921 -12.120 -15.903 -1.117 1.00 0.00 C ATOM 30 OG SER A 921 -12.684 -17.139 -1.525 1.00 0.00 O ATOM 0 H SER A 921 -10.258 -17.428 -0.603 1.00 0.00 H new ATOM 0 HA SER A 921 -10.806 -15.599 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 921 -12.060 -15.866 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.765 -15.082 -1.429 1.00 0.00 H new ATOM 0 HG SER A 921 -13.575 -17.238 -1.130 1.00 0.00 H new ATOM 36 N ASN A 922 -8.757 -14.335 -1.441 1.00 0.00 N ATOM 37 CA ASN A 922 -7.955 -13.145 -1.108 1.00 0.00 C ATOM 38 C ASN A 922 -8.173 -12.664 0.298 1.00 0.00 C ATOM 39 O ASN A 922 -8.697 -11.571 0.512 1.00 0.00 O ATOM 40 CB ASN A 922 -8.222 -11.994 -2.069 1.00 0.00 C ATOM 41 CG ASN A 922 -9.093 -12.388 -3.241 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.299 -12.127 -3.266 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.485 -13.054 -4.200 1.00 0.00 N ATOM 0 H ASN A 922 -8.220 -15.067 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 922 -6.918 -13.467 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -8.701 -11.179 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.272 -11.613 -2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.014 -13.379 -5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.485 -13.245 -4.133 1.00 0.00 H new ATOM 50 N ASP A 923 -7.636 -13.454 1.214 1.00 0.00 N ATOM 51 CA ASP A 923 -7.752 -13.279 2.663 1.00 0.00 C ATOM 52 C ASP A 923 -7.517 -11.835 3.108 1.00 0.00 C ATOM 53 O ASP A 923 -7.331 -10.930 2.304 1.00 0.00 O ATOM 54 CB ASP A 923 -6.696 -14.169 3.311 1.00 0.00 C ATOM 55 CG ASP A 923 -7.109 -14.768 4.634 1.00 0.00 C ATOM 56 OD1 ASP A 923 -7.304 -14.013 5.604 1.00 0.00 O ATOM 57 OD2 ASP A 923 -7.174 -16.010 4.712 1.00 0.00 O ATOM 0 H ASP A 923 -7.082 -14.272 0.962 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.766 -13.544 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -6.447 -14.977 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -5.788 -13.585 3.459 1.00 0.00 H new ATOM 62 N LYS A 924 -7.517 -11.633 4.409 1.00 0.00 N ATOM 63 CA LYS A 924 -7.235 -10.323 5.012 1.00 0.00 C ATOM 64 C LYS A 924 -6.049 -9.647 4.297 1.00 0.00 C ATOM 65 O LYS A 924 -5.909 -8.422 4.307 1.00 0.00 O ATOM 66 CB LYS A 924 -6.944 -10.508 6.511 1.00 0.00 C ATOM 67 CG LYS A 924 -7.178 -9.266 7.366 1.00 0.00 C ATOM 68 CD LYS A 924 -6.003 -8.302 7.321 1.00 0.00 C ATOM 69 CE LYS A 924 -6.254 -7.069 8.175 1.00 0.00 C ATOM 70 NZ LYS A 924 -6.524 -7.420 9.597 1.00 0.00 N ATOM 0 H LYS A 924 -7.712 -12.367 5.090 1.00 0.00 H new ATOM 0 HA LYS A 924 -8.103 -9.674 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.569 -11.316 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.907 -10.823 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.077 -8.755 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -7.358 -9.567 8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.103 -8.809 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -5.820 -7.999 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.388 -6.409 8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -7.101 -6.515 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -6.022 -6.756 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -7.546 -7.362 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -6.193 -8.388 9.785 1.00 0.00 H new ATOM 84 N VAL A 925 -5.222 -10.469 3.650 1.00 0.00 N ATOM 85 CA VAL A 925 -4.128 -9.997 2.833 1.00 0.00 C ATOM 86 C VAL A 925 -4.596 -9.050 1.730 1.00 0.00 C ATOM 87 O VAL A 925 -4.086 -7.942 1.641 1.00 0.00 O ATOM 88 CB VAL A 925 -3.333 -11.169 2.206 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.547 -11.908 3.278 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.253 -12.133 1.471 1.00 0.00 C ATOM 0 H VAL A 925 -5.302 -11.485 3.685 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.471 -9.444 3.504 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.637 -10.749 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.993 -12.729 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.849 -11.221 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.235 -12.305 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.663 -12.944 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.982 -12.544 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.774 -11.603 0.674 1.00 0.00 H new ATOM 100 N TYR A 926 -5.594 -9.427 0.922 1.00 0.00 N ATOM 101 CA TYR A 926 -5.969 -8.568 -0.190 1.00 0.00 C ATOM 102 C TYR A 926 -6.797 -7.406 0.329 1.00 0.00 C ATOM 103 O TYR A 926 -6.715 -6.274 -0.159 1.00 0.00 O ATOM 104 CB TYR A 926 -6.748 -9.381 -1.220 1.00 0.00 C ATOM 105 CG TYR A 926 -7.618 -8.580 -2.170 1.00 0.00 C ATOM 106 CD1 TYR A 926 -8.922 -8.227 -1.822 1.00 0.00 C ATOM 107 CD2 TYR A 926 -7.154 -8.210 -3.422 1.00 0.00 C ATOM 108 CE1 TYR A 926 -9.728 -7.523 -2.695 1.00 0.00 C ATOM 109 CE2 TYR A 926 -7.958 -7.512 -4.303 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.242 -7.169 -3.935 1.00 0.00 C ATOM 111 OH TYR A 926 -10.048 -6.483 -4.819 1.00 0.00 O ATOM 0 H TYR A 926 -6.134 -10.287 1.016 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.077 -8.168 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.038 -9.962 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.381 -10.093 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -9.308 -8.509 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.148 -8.471 -3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.733 -7.252 -2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -7.582 -7.236 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 926 -9.553 -6.310 -5.647 1.00 0.00 H new ATOM 121 N GLU A 927 -7.577 -7.717 1.348 1.00 0.00 N ATOM 122 CA GLU A 927 -8.528 -6.791 1.928 1.00 0.00 C ATOM 123 C GLU A 927 -7.832 -5.565 2.499 1.00 0.00 C ATOM 124 O GLU A 927 -8.216 -4.430 2.210 1.00 0.00 O ATOM 125 CB GLU A 927 -9.299 -7.509 3.032 1.00 0.00 C ATOM 126 CG GLU A 927 -10.732 -7.053 3.167 1.00 0.00 C ATOM 127 CD GLU A 927 -11.403 -7.652 4.381 1.00 0.00 C ATOM 128 OE1 GLU A 927 -11.222 -7.109 5.488 1.00 0.00 O ATOM 129 OE2 GLU A 927 -12.107 -8.674 4.233 1.00 0.00 O ATOM 0 H GLU A 927 -7.567 -8.631 1.800 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.209 -6.451 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -9.285 -8.581 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -8.786 -7.353 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.762 -5.966 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.287 -7.331 2.271 1.00 0.00 H new ATOM 136 N ASN A 928 -6.798 -5.792 3.294 1.00 0.00 N ATOM 137 CA ASN A 928 -6.098 -4.697 3.948 1.00 0.00 C ATOM 138 C ASN A 928 -5.328 -3.873 2.930 1.00 0.00 C ATOM 139 O ASN A 928 -5.268 -2.655 3.049 1.00 0.00 O ATOM 140 CB ASN A 928 -5.154 -5.224 5.031 1.00 0.00 C ATOM 141 CG ASN A 928 -4.709 -4.162 6.035 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.543 -4.460 7.213 1.00 0.00 O ATOM 143 ND2 ASN A 928 -4.502 -2.930 5.594 1.00 0.00 N ATOM 0 H ASN A 928 -6.426 -6.719 3.501 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.840 -4.056 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.649 -6.033 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.272 -5.651 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -4.197 -2.202 6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -4.648 -2.710 4.609 1.00 0.00 H new ATOM 150 N VAL A 929 -4.731 -4.515 1.932 1.00 0.00 N ATOM 151 CA VAL A 929 -4.023 -3.759 0.905 1.00 0.00 C ATOM 152 C VAL A 929 -4.993 -2.911 0.090 1.00 0.00 C ATOM 153 O VAL A 929 -4.636 -1.839 -0.400 1.00 0.00 O ATOM 154 CB VAL A 929 -3.190 -4.642 -0.031 1.00 0.00 C ATOM 155 CG1 VAL A 929 -2.160 -3.786 -0.741 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.512 -5.750 0.738 1.00 0.00 C ATOM 0 H VAL A 929 -4.721 -5.528 1.812 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.326 -3.111 1.436 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.851 -5.101 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.565 -4.410 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.666 -3.014 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -1.507 -3.317 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.927 -6.363 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -1.853 -5.319 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.266 -6.369 1.225 1.00 0.00 H new ATOM 166 N THR A 930 -6.228 -3.378 -0.038 1.00 0.00 N ATOM 167 CA THR A 930 -7.284 -2.535 -0.578 1.00 0.00 C ATOM 168 C THR A 930 -7.457 -1.334 0.350 1.00 0.00 C ATOM 169 O THR A 930 -7.618 -0.196 -0.091 1.00 0.00 O ATOM 170 CB THR A 930 -8.617 -3.305 -0.701 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.422 -4.506 -1.461 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.682 -2.453 -1.375 1.00 0.00 C ATOM 0 H THR A 930 -6.520 -4.321 0.220 1.00 0.00 H new ATOM 0 HA THR A 930 -7.005 -2.210 -1.580 1.00 0.00 H new ATOM 0 HB THR A 930 -8.954 -3.554 0.305 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.855 -5.125 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.610 -3.021 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.853 -1.552 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.347 -2.175 -2.374 1.00 0.00 H new ATOM 180 N GLY A 931 -7.379 -1.621 1.646 1.00 0.00 N ATOM 181 CA GLY A 931 -7.379 -0.595 2.672 1.00 0.00 C ATOM 182 C GLY A 931 -6.246 0.412 2.519 1.00 0.00 C ATOM 183 O GLY A 931 -6.383 1.553 2.951 1.00 0.00 O ATOM 0 H GLY A 931 -7.314 -2.572 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.332 -0.066 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.304 -1.070 3.650 1.00 0.00 H new ATOM 187 N LEU A 932 -5.123 0.003 1.918 1.00 0.00 N ATOM 188 CA LEU A 932 -4.038 0.939 1.629 1.00 0.00 C ATOM 189 C LEU A 932 -4.513 1.984 0.631 1.00 0.00 C ATOM 190 O LEU A 932 -4.230 3.171 0.773 1.00 0.00 O ATOM 191 CB LEU A 932 -2.792 0.233 1.076 1.00 0.00 C ATOM 192 CG LEU A 932 -1.840 -0.380 2.111 1.00 0.00 C ATOM 193 CD1 LEU A 932 -2.461 -1.585 2.781 1.00 0.00 C ATOM 194 CD2 LEU A 932 -0.524 -0.752 1.448 1.00 0.00 C ATOM 0 H LEU A 932 -4.945 -0.958 1.626 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.759 1.414 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.119 -0.558 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.230 0.950 0.478 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.648 0.364 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.762 -1.997 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -3.379 -1.287 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -2.690 -2.341 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.147 -1.187 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -0.708 -1.477 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -0.065 0.141 1.023 1.00 0.00 H new ATOM 206 N VAL A 933 -5.252 1.535 -0.371 1.00 0.00 N ATOM 207 CA VAL A 933 -5.834 2.442 -1.346 1.00 0.00 C ATOM 208 C VAL A 933 -6.960 3.253 -0.697 1.00 0.00 C ATOM 209 O VAL A 933 -7.150 4.426 -0.991 1.00 0.00 O ATOM 210 CB VAL A 933 -6.355 1.682 -2.586 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.981 2.636 -3.594 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.226 0.891 -3.236 1.00 0.00 C ATOM 0 H VAL A 933 -5.462 0.550 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.054 3.123 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.127 0.988 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.338 2.072 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.818 3.158 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.236 3.362 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.608 0.361 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.434 1.574 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.827 0.172 -2.521 1.00 0.00 H new ATOM 222 N LYS A 934 -7.689 2.622 0.210 1.00 0.00 N ATOM 223 CA LYS A 934 -8.718 3.312 0.989 1.00 0.00 C ATOM 224 C LYS A 934 -8.070 4.326 1.925 1.00 0.00 C ATOM 225 O LYS A 934 -8.718 5.237 2.416 1.00 0.00 O ATOM 226 CB LYS A 934 -9.549 2.317 1.813 1.00 0.00 C ATOM 227 CG LYS A 934 -10.110 1.125 1.037 1.00 0.00 C ATOM 228 CD LYS A 934 -11.090 1.533 -0.056 1.00 0.00 C ATOM 229 CE LYS A 934 -10.379 1.933 -1.339 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.322 2.055 -2.480 1.00 0.00 N ATOM 0 H LYS A 934 -7.590 1.631 0.429 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.381 3.824 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.929 1.939 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.380 2.855 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.286 0.570 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.610 0.449 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.769 0.706 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.699 2.366 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.866 2.883 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.615 1.193 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.798 2.329 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.793 1.142 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.036 2.780 -2.264 1.00 0.00 H new ATOM 244 N ALA A 935 -6.787 4.153 2.176 1.00 0.00 N ATOM 245 CA ALA A 935 -6.042 5.106 2.973 1.00 0.00 C ATOM 246 C ALA A 935 -5.583 6.278 2.118 1.00 0.00 C ATOM 247 O ALA A 935 -5.383 7.382 2.616 1.00 0.00 O ATOM 248 CB ALA A 935 -4.864 4.434 3.641 1.00 0.00 C ATOM 0 H ALA A 935 -6.239 3.361 1.839 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.700 5.492 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.317 5.166 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.221 3.634 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.204 4.017 2.881 1.00 0.00 H new ATOM 254 N VAL A 936 -5.415 6.046 0.822 1.00 0.00 N ATOM 255 CA VAL A 936 -5.043 7.128 -0.069 1.00 0.00 C ATOM 256 C VAL A 936 -6.292 7.839 -0.589 1.00 0.00 C ATOM 257 O VAL A 936 -6.221 8.959 -1.097 1.00 0.00 O ATOM 258 CB VAL A 936 -4.116 6.670 -1.224 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.838 5.770 -2.210 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.507 7.870 -1.941 1.00 0.00 C ATOM 0 H VAL A 936 -5.528 5.136 0.375 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.456 7.839 0.512 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.312 6.086 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.151 5.473 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.201 4.882 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.681 6.308 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.861 7.523 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.303 8.489 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.921 8.458 -1.234 1.00 0.00 H new ATOM 270 N ILE A 937 -7.455 7.207 -0.426 1.00 0.00 N ATOM 271 CA ILE A 937 -8.704 7.915 -0.647 1.00 0.00 C ATOM 272 C ILE A 937 -8.948 8.838 0.548 1.00 0.00 C ATOM 273 O ILE A 937 -9.522 9.917 0.412 1.00 0.00 O ATOM 274 CB ILE A 937 -9.924 6.982 -0.893 1.00 0.00 C ATOM 275 CG1 ILE A 937 -10.366 6.266 0.377 1.00 0.00 C ATOM 276 CG2 ILE A 937 -9.596 5.969 -1.976 1.00 0.00 C ATOM 277 CD1 ILE A 937 -11.679 5.529 0.233 1.00 0.00 C ATOM 0 H ILE A 937 -7.553 6.230 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.604 8.490 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 937 -10.754 7.610 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -9.592 5.557 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.455 6.995 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -10.457 5.321 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -9.353 6.491 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -8.742 5.367 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -11.929 5.044 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -12.466 6.236 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -11.589 4.776 -0.550 1.00 0.00 H new ATOM 289 N GLU A 938 -8.482 8.396 1.722 1.00 0.00 N ATOM 290 CA GLU A 938 -8.364 9.266 2.893 1.00 0.00 C ATOM 291 C GLU A 938 -7.508 10.470 2.556 1.00 0.00 C ATOM 292 O GLU A 938 -7.855 11.597 2.879 1.00 0.00 O ATOM 293 CB GLU A 938 -7.720 8.521 4.061 1.00 0.00 C ATOM 294 CG GLU A 938 -8.529 7.332 4.541 1.00 0.00 C ATOM 295 CD GLU A 938 -9.751 7.738 5.336 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.598 8.483 4.804 1.00 0.00 O ATOM 297 OE2 GLU A 938 -9.878 7.299 6.501 1.00 0.00 O ATOM 0 H GLU A 938 -8.180 7.435 1.884 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.367 9.584 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.729 8.179 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.580 9.214 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.841 6.739 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.896 6.692 5.157 1.00 0.00 H new ATOM 304 N MET A 939 -6.395 10.207 1.882 1.00 0.00 N ATOM 305 CA MET A 939 -5.481 11.260 1.454 1.00 0.00 C ATOM 306 C MET A 939 -6.214 12.240 0.549 1.00 0.00 C ATOM 307 O MET A 939 -6.031 13.453 0.641 1.00 0.00 O ATOM 308 CB MET A 939 -4.276 10.653 0.725 1.00 0.00 C ATOM 309 CG MET A 939 -3.315 11.682 0.148 1.00 0.00 C ATOM 310 SD MET A 939 -1.916 10.928 -0.702 1.00 0.00 S ATOM 311 CE MET A 939 -1.080 12.380 -1.332 1.00 0.00 C ATOM 0 H MET A 939 -6.102 9.266 1.618 1.00 0.00 H new ATOM 0 HA MET A 939 -5.117 11.795 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.731 10.012 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.637 10.016 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.853 12.326 -0.548 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.946 12.319 0.952 1.00 0.00 H new ATOM 0 HE1 MET A 939 -0.190 12.077 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 939 -1.750 12.926 -1.996 1.00 0.00 H new ATOM 0 HE3 MET A 939 -0.790 13.022 -0.500 1.00 0.00 H new ATOM 321 N SER A 940 -7.076 11.699 -0.299 1.00 0.00 N ATOM 322 CA SER A 940 -7.873 12.510 -1.203 1.00 0.00 C ATOM 323 C SER A 940 -8.896 13.345 -0.427 1.00 0.00 C ATOM 324 O SER A 940 -9.087 14.527 -0.710 1.00 0.00 O ATOM 325 CB SER A 940 -8.583 11.612 -2.223 1.00 0.00 C ATOM 326 OG SER A 940 -7.666 10.746 -2.876 1.00 0.00 O ATOM 0 H SER A 940 -7.241 10.696 -0.379 1.00 0.00 H new ATOM 0 HA SER A 940 -7.209 13.193 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.349 11.021 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 940 -9.092 12.230 -2.962 1.00 0.00 H new ATOM 0 HG SER A 940 -7.315 10.095 -2.232 1.00 0.00 H new ATOM 332 N SER A 941 -9.515 12.746 0.584 1.00 0.00 N ATOM 333 CA SER A 941 -10.575 13.420 1.315 1.00 0.00 C ATOM 334 C SER A 941 -9.957 14.447 2.245 1.00 0.00 C ATOM 335 O SER A 941 -10.438 15.572 2.362 1.00 0.00 O ATOM 336 CB SER A 941 -11.413 12.408 2.106 1.00 0.00 C ATOM 337 OG SER A 941 -12.565 13.019 2.659 1.00 0.00 O ATOM 0 H SER A 941 -9.302 11.804 0.912 1.00 0.00 H new ATOM 0 HA SER A 941 -11.239 13.922 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 941 -11.711 11.588 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 941 -10.809 11.976 2.904 1.00 0.00 H new ATOM 0 HG SER A 941 -13.082 12.352 3.157 1.00 0.00 H new ATOM 343 N LYS A 942 -8.863 14.037 2.868 1.00 0.00 N ATOM 344 CA LYS A 942 -8.071 14.886 3.738 1.00 0.00 C ATOM 345 C LYS A 942 -7.791 16.238 3.107 1.00 0.00 C ATOM 346 O LYS A 942 -8.080 17.279 3.690 1.00 0.00 O ATOM 347 CB LYS A 942 -6.748 14.191 4.021 1.00 0.00 C ATOM 348 CG LYS A 942 -6.687 13.497 5.359 1.00 0.00 C ATOM 349 CD LYS A 942 -6.633 14.517 6.467 1.00 0.00 C ATOM 350 CE LYS A 942 -6.551 13.858 7.837 1.00 0.00 C ATOM 351 NZ LYS A 942 -7.619 12.839 8.035 1.00 0.00 N ATOM 0 H LYS A 942 -8.496 13.089 2.780 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.634 15.054 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.560 13.459 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -5.946 14.927 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.560 12.856 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -5.809 12.852 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.769 15.165 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.518 15.151 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -5.575 13.387 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -6.631 14.621 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.795 12.713 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -8.493 13.157 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -7.316 11.934 7.622 1.00 0.00 H new ATOM 365 N ILE A 943 -7.238 16.208 1.908 1.00 0.00 N ATOM 366 CA ILE A 943 -6.810 17.424 1.245 1.00 0.00 C ATOM 367 C ILE A 943 -8.008 18.265 0.781 1.00 0.00 C ATOM 368 O ILE A 943 -7.872 19.469 0.544 1.00 0.00 O ATOM 369 CB ILE A 943 -5.868 17.122 0.049 1.00 0.00 C ATOM 370 CG1 ILE A 943 -5.305 18.418 -0.546 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.590 16.319 -1.022 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.339 18.196 -1.693 1.00 0.00 C ATOM 0 H ILE A 943 -7.075 15.354 1.374 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.251 18.004 1.979 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.036 16.526 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -6.132 19.036 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.798 18.978 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.909 16.120 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.933 15.375 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.447 16.886 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.984 19.159 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -3.491 17.605 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.846 17.665 -2.498 1.00 0.00 H new ATOM 384 N GLN A 944 -9.177 17.629 0.626 1.00 0.00 N ATOM 385 CA GLN A 944 -10.377 18.346 0.180 1.00 0.00 C ATOM 386 C GLN A 944 -10.693 19.559 1.069 1.00 0.00 C ATOM 387 O GLN A 944 -10.668 20.688 0.580 1.00 0.00 O ATOM 388 CB GLN A 944 -11.609 17.429 0.103 1.00 0.00 C ATOM 389 CG GLN A 944 -11.500 16.304 -0.914 1.00 0.00 C ATOM 390 CD GLN A 944 -11.014 16.778 -2.264 1.00 0.00 C ATOM 391 OE1 GLN A 944 -11.795 17.222 -3.104 1.00 0.00 O ATOM 392 NE2 GLN A 944 -9.726 16.637 -2.493 1.00 0.00 N ATOM 0 H GLN A 944 -9.316 16.634 0.800 1.00 0.00 H new ATOM 0 HA GLN A 944 -10.149 18.703 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.784 16.995 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -12.482 18.035 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.818 15.543 -0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -12.475 15.830 -1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -9.116 16.264 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -9.337 16.901 -3.398 1.00 0.00 H new ATOM 401 N PRO A 945 -10.997 19.380 2.377 1.00 0.00 N ATOM 402 CA PRO A 945 -11.369 20.496 3.236 1.00 0.00 C ATOM 403 C PRO A 945 -10.225 21.029 4.102 1.00 0.00 C ATOM 404 O PRO A 945 -10.384 22.036 4.793 1.00 0.00 O ATOM 405 CB PRO A 945 -12.437 19.860 4.117 1.00 0.00 C ATOM 406 CG PRO A 945 -12.025 18.427 4.256 1.00 0.00 C ATOM 407 CD PRO A 945 -11.063 18.126 3.128 1.00 0.00 C ATOM 0 HA PRO A 945 -11.683 21.366 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.490 20.351 5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.424 19.944 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.551 18.255 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.894 17.770 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.083 17.835 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.421 17.306 2.506 1.00 0.00 H new ATOM 415 N ALA A 946 -9.079 20.367 4.071 1.00 0.00 N ATOM 416 CA ALA A 946 -7.993 20.712 4.977 1.00 0.00 C ATOM 417 C ALA A 946 -6.801 21.322 4.236 1.00 0.00 C ATOM 418 O ALA A 946 -6.573 21.027 3.064 1.00 0.00 O ATOM 419 CB ALA A 946 -7.572 19.486 5.765 1.00 0.00 C ATOM 0 H ALA A 946 -8.877 19.595 3.435 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.358 21.472 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.759 19.750 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.419 19.116 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.235 18.710 5.078 1.00 0.00 H new ATOM 425 N PRO A 947 -6.033 22.185 4.927 1.00 0.00 N ATOM 426 CA PRO A 947 -4.892 22.905 4.343 1.00 0.00 C ATOM 427 C PRO A 947 -3.633 22.032 4.228 1.00 0.00 C ATOM 428 O PRO A 947 -3.675 20.843 4.541 1.00 0.00 O ATOM 429 CB PRO A 947 -4.677 24.038 5.352 1.00 0.00 C ATOM 430 CG PRO A 947 -5.077 23.453 6.658 1.00 0.00 C ATOM 431 CD PRO A 947 -6.219 22.523 6.355 1.00 0.00 C ATOM 0 HA PRO A 947 -5.083 23.236 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.638 24.366 5.365 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -5.283 24.910 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -4.247 22.917 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -5.381 24.231 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.187 21.633 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.182 23.003 6.530 1.00 0.00 H new ATOM 439 N PRO A 948 -2.494 22.607 3.768 1.00 0.00 N ATOM 440 CA PRO A 948 -1.203 21.896 3.698 1.00 0.00 C ATOM 441 C PRO A 948 -0.804 21.234 5.016 1.00 0.00 C ATOM 442 O PRO A 948 -0.061 20.236 5.038 1.00 0.00 O ATOM 443 CB PRO A 948 -0.212 22.998 3.334 1.00 0.00 C ATOM 444 CG PRO A 948 -1.025 23.992 2.585 1.00 0.00 C ATOM 445 CD PRO A 948 -2.381 23.978 3.230 1.00 0.00 C ATOM 0 HA PRO A 948 -1.241 21.075 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.236 23.440 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.605 22.612 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.577 24.984 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.091 23.728 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.458 24.726 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.170 24.193 2.509 1.00 0.00 H new ATOM 453 N GLU A 949 -1.308 21.778 6.107 1.00 0.00 N ATOM 454 CA GLU A 949 -1.084 21.196 7.415 1.00 0.00 C ATOM 455 C GLU A 949 -1.569 19.752 7.428 1.00 0.00 C ATOM 456 O GLU A 949 -1.007 18.906 8.118 1.00 0.00 O ATOM 457 CB GLU A 949 -1.799 22.009 8.490 1.00 0.00 C ATOM 458 CG GLU A 949 -1.458 23.492 8.464 1.00 0.00 C ATOM 459 CD GLU A 949 0.019 23.756 8.238 1.00 0.00 C ATOM 460 OE1 GLU A 949 0.860 23.112 8.898 1.00 0.00 O ATOM 461 OE2 GLU A 949 0.344 24.602 7.376 1.00 0.00 O ATOM 0 H GLU A 949 -1.877 22.625 6.113 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.016 21.211 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.876 21.891 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.544 21.604 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -2.033 23.978 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.763 23.946 9.407 1.00 0.00 H new ATOM 468 N GLU A 950 -2.596 19.473 6.627 1.00 0.00 N ATOM 469 CA GLU A 950 -3.108 18.120 6.478 1.00 0.00 C ATOM 470 C GLU A 950 -2.546 17.440 5.235 1.00 0.00 C ATOM 471 O GLU A 950 -2.860 16.283 4.976 1.00 0.00 O ATOM 472 CB GLU A 950 -4.631 18.090 6.431 1.00 0.00 C ATOM 473 CG GLU A 950 -5.288 17.811 7.774 1.00 0.00 C ATOM 474 CD GLU A 950 -4.869 18.775 8.868 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.134 19.986 8.738 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.297 18.315 9.879 1.00 0.00 O ATOM 0 H GLU A 950 -3.089 20.172 6.071 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.778 17.570 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -4.991 19.047 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -4.947 17.328 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.371 17.857 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.044 16.795 8.084 1.00 0.00 H new ATOM 483 N TYR A 951 -1.715 18.148 4.470 1.00 0.00 N ATOM 484 CA TYR A 951 -0.972 17.511 3.383 1.00 0.00 C ATOM 485 C TYR A 951 -0.149 16.386 3.962 1.00 0.00 C ATOM 486 O TYR A 951 -0.033 15.307 3.384 1.00 0.00 O ATOM 487 CB TYR A 951 -0.016 18.474 2.680 1.00 0.00 C ATOM 488 CG TYR A 951 -0.647 19.429 1.697 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.018 19.467 1.480 1.00 0.00 C ATOM 490 CD2 TYR A 951 0.156 20.302 0.980 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.566 20.354 0.573 1.00 0.00 C ATOM 492 CE2 TYR A 951 -0.379 21.185 0.076 1.00 0.00 C ATOM 493 CZ TYR A 951 -1.741 21.211 -0.128 1.00 0.00 C ATOM 494 OH TYR A 951 -2.275 22.093 -1.038 1.00 0.00 O ATOM 0 H TYR A 951 -1.541 19.147 4.580 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.699 17.159 2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.505 19.057 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.738 17.888 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.664 18.795 2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.225 20.287 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -3.634 20.377 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.265 21.856 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.556 22.623 -1.441 1.00 0.00 H new ATOM 504 N VAL A 952 0.429 16.652 5.120 1.00 0.00 N ATOM 505 CA VAL A 952 1.194 15.625 5.803 1.00 0.00 C ATOM 506 C VAL A 952 0.279 14.560 6.470 1.00 0.00 C ATOM 507 O VAL A 952 0.457 13.376 6.206 1.00 0.00 O ATOM 508 CB VAL A 952 2.286 16.213 6.754 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.837 17.502 7.426 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.723 15.194 7.799 1.00 0.00 C ATOM 0 H VAL A 952 0.385 17.551 5.599 1.00 0.00 H new ATOM 0 HA VAL A 952 1.756 15.088 5.039 1.00 0.00 H new ATOM 0 HB VAL A 952 3.143 16.453 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.631 17.869 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.615 18.251 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 952 0.943 17.311 8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.483 15.636 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.864 14.899 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.135 14.316 7.301 1.00 0.00 H new ATOM 520 N PRO A 953 -0.726 14.925 7.309 1.00 0.00 N ATOM 521 CA PRO A 953 -1.712 13.951 7.824 1.00 0.00 C ATOM 522 C PRO A 953 -2.396 13.095 6.755 1.00 0.00 C ATOM 523 O PRO A 953 -2.761 11.955 7.026 1.00 0.00 O ATOM 524 CB PRO A 953 -2.755 14.832 8.485 1.00 0.00 C ATOM 525 CG PRO A 953 -1.981 15.999 8.957 1.00 0.00 C ATOM 526 CD PRO A 953 -0.937 16.237 7.905 1.00 0.00 C ATOM 0 HA PRO A 953 -1.216 13.229 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.534 15.126 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.248 14.318 9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.622 16.872 9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.524 15.801 9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.276 16.961 7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.017 16.630 8.338 1.00 0.00 H new ATOM 534 N MET A 954 -2.609 13.632 5.557 1.00 0.00 N ATOM 535 CA MET A 954 -3.279 12.855 4.520 1.00 0.00 C ATOM 536 C MET A 954 -2.388 11.713 4.061 1.00 0.00 C ATOM 537 O MET A 954 -2.845 10.587 3.872 1.00 0.00 O ATOM 538 CB MET A 954 -3.717 13.724 3.332 1.00 0.00 C ATOM 539 CG MET A 954 -2.595 14.274 2.478 1.00 0.00 C ATOM 540 SD MET A 954 -3.201 15.286 1.119 1.00 0.00 S ATOM 541 CE MET A 954 -1.663 15.746 0.336 1.00 0.00 C ATOM 0 H MET A 954 -2.336 14.576 5.285 1.00 0.00 H new ATOM 0 HA MET A 954 -4.188 12.440 4.956 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.378 13.134 2.697 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.304 14.560 3.713 1.00 0.00 H new ATOM 0 HG2 MET A 954 -1.926 14.869 3.100 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.008 13.447 2.078 1.00 0.00 H new ATOM 0 HE1 MET A 954 -1.611 16.831 0.246 1.00 0.00 H new ATOM 0 HE2 MET A 954 -0.827 15.392 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 954 -1.611 15.296 -0.656 1.00 0.00 H new ATOM 551 N VAL A 955 -1.123 12.008 3.848 1.00 0.00 N ATOM 552 CA VAL A 955 -0.161 10.948 3.610 1.00 0.00 C ATOM 553 C VAL A 955 0.018 10.081 4.854 1.00 0.00 C ATOM 554 O VAL A 955 0.367 8.908 4.757 1.00 0.00 O ATOM 555 CB VAL A 955 1.194 11.472 3.101 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.156 10.319 2.886 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.000 12.250 1.808 1.00 0.00 C ATOM 0 H VAL A 955 -0.740 12.953 3.834 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.573 10.329 2.813 1.00 0.00 H new ATOM 0 HB VAL A 955 1.618 12.140 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.110 10.704 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 955 2.309 9.792 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.741 9.631 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.964 12.617 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.562 11.597 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.334 13.094 1.988 1.00 0.00 H new ATOM 567 N LYS A 956 -0.225 10.645 6.029 1.00 0.00 N ATOM 568 CA LYS A 956 -0.194 9.847 7.249 1.00 0.00 C ATOM 569 C LYS A 956 -1.235 8.740 7.130 1.00 0.00 C ATOM 570 O LYS A 956 -1.022 7.612 7.583 1.00 0.00 O ATOM 571 CB LYS A 956 -0.461 10.726 8.481 1.00 0.00 C ATOM 572 CG LYS A 956 -0.493 9.976 9.807 1.00 0.00 C ATOM 573 CD LYS A 956 -1.894 9.478 10.133 1.00 0.00 C ATOM 574 CE LYS A 956 -1.939 8.724 11.452 1.00 0.00 C ATOM 575 NZ LYS A 956 -1.515 9.570 12.598 1.00 0.00 N ATOM 0 H LYS A 956 -0.442 11.632 6.164 1.00 0.00 H new ATOM 0 HA LYS A 956 0.794 9.405 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.309 11.496 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.414 11.237 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 956 0.194 9.131 9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.144 10.631 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.579 10.325 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.243 8.827 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.952 8.361 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.292 7.849 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -1.736 9.083 13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -0.491 9.742 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -2.021 10.478 12.565 1.00 0.00 H new ATOM 589 N GLU A 957 -2.359 9.088 6.509 1.00 0.00 N ATOM 590 CA GLU A 957 -3.412 8.125 6.226 1.00 0.00 C ATOM 591 C GLU A 957 -2.862 6.941 5.414 1.00 0.00 C ATOM 592 O GLU A 957 -3.094 5.787 5.769 1.00 0.00 O ATOM 593 CB GLU A 957 -4.569 8.794 5.469 1.00 0.00 C ATOM 594 CG GLU A 957 -5.050 10.100 6.092 1.00 0.00 C ATOM 595 CD GLU A 957 -5.753 9.925 7.422 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.122 9.444 8.382 1.00 0.00 O ATOM 597 OE2 GLU A 957 -6.939 10.303 7.522 1.00 0.00 O ATOM 0 H GLU A 957 -2.562 10.036 6.192 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.790 7.748 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.254 8.988 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.406 8.098 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.195 10.762 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.728 10.595 5.396 1.00 0.00 H new ATOM 604 N VAL A 958 -2.095 7.222 4.351 1.00 0.00 N ATOM 605 CA VAL A 958 -1.490 6.151 3.550 1.00 0.00 C ATOM 606 C VAL A 958 -0.317 5.498 4.291 1.00 0.00 C ATOM 607 O VAL A 958 0.064 4.369 3.993 1.00 0.00 O ATOM 608 CB VAL A 958 -1.020 6.632 2.149 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.082 7.497 1.501 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.304 7.376 2.214 1.00 0.00 C ATOM 0 H VAL A 958 -1.882 8.167 4.030 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.278 5.414 3.397 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.863 5.743 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.736 7.825 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.001 6.921 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.274 8.368 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.593 7.693 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.198 8.251 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 958 1.071 6.718 2.622 1.00 0.00 H new ATOM 620 N GLY A 959 0.267 6.206 5.247 1.00 0.00 N ATOM 621 CA GLY A 959 1.317 5.614 6.055 1.00 0.00 C ATOM 622 C GLY A 959 0.755 4.565 6.993 1.00 0.00 C ATOM 623 O GLY A 959 1.323 3.481 7.151 1.00 0.00 O ATOM 0 H GLY A 959 0.036 7.172 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 959 2.068 5.162 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.819 6.391 6.632 1.00 0.00 H new ATOM 627 N LEU A 960 -0.372 4.899 7.609 1.00 0.00 N ATOM 628 CA LEU A 960 -1.135 3.939 8.399 1.00 0.00 C ATOM 629 C LEU A 960 -1.585 2.764 7.527 1.00 0.00 C ATOM 630 O LEU A 960 -1.844 1.667 8.025 1.00 0.00 O ATOM 631 CB LEU A 960 -2.352 4.621 9.037 1.00 0.00 C ATOM 632 CG LEU A 960 -3.164 3.749 9.999 1.00 0.00 C ATOM 633 CD1 LEU A 960 -2.314 3.326 11.189 1.00 0.00 C ATOM 634 CD2 LEU A 960 -4.407 4.489 10.465 1.00 0.00 C ATOM 0 H LEU A 960 -0.780 5.833 7.577 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.492 3.557 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.011 5.506 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -3.012 4.967 8.241 1.00 0.00 H new ATOM 0 HG LEU A 960 -3.477 2.850 9.468 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -2.910 2.707 11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -1.454 2.756 10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -1.969 4.212 11.723 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -4.973 3.855 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -4.114 5.405 10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -5.027 4.738 9.603 1.00 0.00 H new ATOM 646 N ALA A 961 -1.659 3.004 6.224 1.00 0.00 N ATOM 647 CA ALA A 961 -2.018 1.961 5.273 1.00 0.00 C ATOM 648 C ALA A 961 -0.971 0.857 5.262 1.00 0.00 C ATOM 649 O ALA A 961 -1.292 -0.303 5.496 1.00 0.00 O ATOM 650 CB ALA A 961 -2.186 2.538 3.882 1.00 0.00 C ATOM 0 H ALA A 961 -1.475 3.914 5.801 1.00 0.00 H new ATOM 0 HA ALA A 961 -2.969 1.532 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.454 1.742 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -2.975 3.290 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.250 2.998 3.563 1.00 0.00 H new ATOM 656 N LEU A 962 0.284 1.213 5.006 1.00 0.00 N ATOM 657 CA LEU A 962 1.361 0.236 5.055 1.00 0.00 C ATOM 658 C LEU A 962 1.512 -0.344 6.465 1.00 0.00 C ATOM 659 O LEU A 962 1.775 -1.534 6.622 1.00 0.00 O ATOM 660 CB LEU A 962 2.665 0.865 4.556 1.00 0.00 C ATOM 661 CG LEU A 962 3.959 0.146 4.959 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.001 -1.264 4.388 1.00 0.00 C ATOM 663 CD2 LEU A 962 5.171 0.942 4.498 1.00 0.00 C ATOM 0 H LEU A 962 0.576 2.160 4.765 1.00 0.00 H new ATOM 0 HA LEU A 962 1.113 -0.594 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 962 2.626 0.917 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.714 1.890 4.923 1.00 0.00 H new ATOM 0 HG LEU A 962 3.981 0.071 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 962 4.929 -1.751 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 962 3.153 -1.835 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.952 -1.218 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 962 6.082 0.420 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 962 5.146 1.048 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 962 5.155 1.930 4.959 1.00 0.00 H new ATOM 675 N ARG A 963 1.354 0.492 7.488 1.00 0.00 N ATOM 676 CA ARG A 963 1.311 0.015 8.874 1.00 0.00 C ATOM 677 C ARG A 963 0.295 -1.125 9.051 1.00 0.00 C ATOM 678 O ARG A 963 0.661 -2.248 9.418 1.00 0.00 O ATOM 679 CB ARG A 963 0.965 1.179 9.809 1.00 0.00 C ATOM 680 CG ARG A 963 1.111 0.850 11.286 1.00 0.00 C ATOM 681 CD ARG A 963 2.549 0.503 11.637 1.00 0.00 C ATOM 682 NE ARG A 963 3.483 1.545 11.210 1.00 0.00 N ATOM 683 CZ ARG A 963 4.802 1.375 11.120 1.00 0.00 C ATOM 684 NH1 ARG A 963 5.356 0.222 11.488 1.00 0.00 N ATOM 685 NH2 ARG A 963 5.567 2.365 10.671 1.00 0.00 N ATOM 0 H ARG A 963 1.253 1.502 7.387 1.00 0.00 H new ATOM 0 HA ARG A 963 2.295 -0.379 9.127 1.00 0.00 H new ATOM 0 HB2 ARG A 963 1.608 2.026 9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -0.061 1.493 9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 963 0.784 1.701 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 963 0.461 0.013 11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 963 2.635 0.358 12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 963 2.820 -0.442 11.166 1.00 0.00 H new ATOM 0 HE ARG A 963 3.101 2.459 10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 963 4.771 -0.535 11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.366 0.096 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 963 5.144 3.252 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 963 6.577 2.238 10.601 1.00 0.00 H new ATOM 699 N THR A 964 -0.979 -0.829 8.808 1.00 0.00 N ATOM 700 CA THR A 964 -2.022 -1.850 8.877 1.00 0.00 C ATOM 701 C THR A 964 -1.704 -3.018 7.947 1.00 0.00 C ATOM 702 O THR A 964 -1.942 -4.178 8.286 1.00 0.00 O ATOM 703 CB THR A 964 -3.421 -1.286 8.548 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.385 -0.507 7.347 1.00 0.00 O ATOM 705 CG2 THR A 964 -3.942 -0.437 9.694 1.00 0.00 C ATOM 0 H THR A 964 -1.313 0.103 8.563 1.00 0.00 H new ATOM 0 HA THR A 964 -2.041 -2.204 9.908 1.00 0.00 H new ATOM 0 HB THR A 964 -4.094 -2.130 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.976 0.364 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 964 -4.929 -0.050 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.012 -1.046 10.595 1.00 0.00 H new ATOM 0 HG23 THR A 964 -3.260 0.395 9.870 1.00 0.00 H new ATOM 713 N LEU A 965 -1.130 -2.701 6.792 1.00 0.00 N ATOM 714 CA LEU A 965 -0.692 -3.712 5.839 1.00 0.00 C ATOM 715 C LEU A 965 0.311 -4.660 6.471 1.00 0.00 C ATOM 716 O LEU A 965 0.351 -5.836 6.139 1.00 0.00 O ATOM 717 CB LEU A 965 -0.048 -3.064 4.615 1.00 0.00 C ATOM 718 CG LEU A 965 0.704 -4.030 3.697 1.00 0.00 C ATOM 719 CD1 LEU A 965 -0.249 -5.036 3.082 1.00 0.00 C ATOM 720 CD2 LEU A 965 1.457 -3.275 2.617 1.00 0.00 C ATOM 0 H LEU A 965 -0.956 -1.742 6.492 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.577 -4.271 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.824 -2.565 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.644 -2.292 4.952 1.00 0.00 H new ATOM 0 HG LEU A 965 1.432 -4.573 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 965 0.306 -5.713 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -0.735 -5.608 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -1.005 -4.511 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 965 1.983 -3.983 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 965 0.752 -2.699 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 965 2.177 -2.600 3.080 1.00 0.00 H new ATOM 732 N LEU A 966 1.130 -4.148 7.368 1.00 0.00 N ATOM 733 CA LEU A 966 2.167 -4.967 7.983 1.00 0.00 C ATOM 734 C LEU A 966 1.563 -6.000 8.932 1.00 0.00 C ATOM 735 O LEU A 966 2.160 -7.045 9.188 1.00 0.00 O ATOM 736 CB LEU A 966 3.223 -4.105 8.682 1.00 0.00 C ATOM 737 CG LEU A 966 4.573 -4.795 8.907 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.699 -3.775 8.842 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.598 -5.508 10.253 1.00 0.00 C ATOM 0 H LEU A 966 1.103 -3.180 7.688 1.00 0.00 H new ATOM 0 HA LEU A 966 2.674 -5.511 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.386 -3.204 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.829 -3.785 9.647 1.00 0.00 H new ATOM 0 HG LEU A 966 4.714 -5.536 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.654 -4.276 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 966 5.701 -3.297 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.551 -3.020 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.566 -5.991 10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 966 4.436 -4.784 11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 966 3.810 -6.261 10.281 1.00 0.00 H new ATOM 751 N ALA A 967 0.374 -5.732 9.443 1.00 0.00 N ATOM 752 CA ALA A 967 -0.371 -6.778 10.133 1.00 0.00 C ATOM 753 C ALA A 967 -0.699 -7.890 9.136 1.00 0.00 C ATOM 754 O ALA A 967 -0.595 -9.081 9.436 1.00 0.00 O ATOM 755 CB ALA A 967 -1.641 -6.220 10.756 1.00 0.00 C ATOM 0 H ALA A 967 -0.090 -4.825 9.398 1.00 0.00 H new ATOM 0 HA ALA A 967 0.238 -7.182 10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.179 -7.020 11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -1.382 -5.442 11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.274 -5.797 9.976 1.00 0.00 H new ATOM 761 N THR A 968 -1.050 -7.469 7.932 1.00 0.00 N ATOM 762 CA THR A 968 -1.336 -8.379 6.835 1.00 0.00 C ATOM 763 C THR A 968 -0.073 -9.098 6.337 1.00 0.00 C ATOM 764 O THR A 968 -0.112 -10.290 6.044 1.00 0.00 O ATOM 765 CB THR A 968 -2.005 -7.612 5.678 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.377 -7.376 5.988 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.901 -8.358 4.365 1.00 0.00 C ATOM 0 H THR A 968 -1.145 -6.483 7.687 1.00 0.00 H new ATOM 0 HA THR A 968 -2.018 -9.143 7.208 1.00 0.00 H new ATOM 0 HB THR A 968 -1.478 -6.665 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.939 -7.707 5.257 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.386 -7.780 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.851 -8.505 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.391 -9.327 4.457 1.00 0.00 H new ATOM 775 N VAL A 969 1.034 -8.373 6.221 1.00 0.00 N ATOM 776 CA VAL A 969 2.291 -8.978 5.807 1.00 0.00 C ATOM 777 C VAL A 969 2.759 -10.028 6.799 1.00 0.00 C ATOM 778 O VAL A 969 3.506 -10.918 6.439 1.00 0.00 O ATOM 779 CB VAL A 969 3.413 -7.963 5.511 1.00 0.00 C ATOM 780 CG1 VAL A 969 2.987 -7.027 4.398 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.841 -7.210 6.743 1.00 0.00 C ATOM 0 H VAL A 969 1.085 -7.371 6.407 1.00 0.00 H new ATOM 0 HA VAL A 969 2.072 -9.465 4.857 1.00 0.00 H new ATOM 0 HB VAL A 969 4.290 -8.519 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 969 3.786 -6.314 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 969 2.780 -7.604 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 969 2.088 -6.489 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 969 4.633 -6.507 6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 969 2.990 -6.663 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 969 4.210 -7.913 7.489 1.00 0.00 H new ATOM 791 N ASP A 970 2.362 -9.906 8.058 1.00 0.00 N ATOM 792 CA ASP A 970 2.656 -10.955 9.031 1.00 0.00 C ATOM 793 C ASP A 970 1.778 -12.174 8.784 1.00 0.00 C ATOM 794 O ASP A 970 2.118 -13.276 9.191 1.00 0.00 O ATOM 795 CB ASP A 970 2.474 -10.449 10.463 1.00 0.00 C ATOM 796 CG ASP A 970 2.981 -11.435 11.499 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.184 -11.388 11.833 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.181 -12.260 11.990 1.00 0.00 O ATOM 0 H ASP A 970 1.845 -9.108 8.427 1.00 0.00 H new ATOM 0 HA ASP A 970 3.700 -11.244 8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.001 -9.502 10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.417 -10.250 10.643 1.00 0.00 H new ATOM 803 N GLU A 971 0.649 -11.966 8.130 1.00 0.00 N ATOM 804 CA GLU A 971 -0.165 -13.080 7.644 1.00 0.00 C ATOM 805 C GLU A 971 0.509 -13.702 6.418 1.00 0.00 C ATOM 806 O GLU A 971 0.725 -14.923 6.331 1.00 0.00 O ATOM 807 CB GLU A 971 -1.569 -12.600 7.278 1.00 0.00 C ATOM 808 CG GLU A 971 -2.275 -11.874 8.406 1.00 0.00 C ATOM 809 CD GLU A 971 -2.620 -12.791 9.561 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.656 -13.483 9.486 1.00 0.00 O ATOM 811 OE2 GLU A 971 -1.860 -12.829 10.550 1.00 0.00 O ATOM 0 H GLU A 971 0.271 -11.042 7.921 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.252 -13.826 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.504 -11.937 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.170 -13.458 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.640 -11.065 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.188 -11.417 8.024 1.00 0.00 H new ATOM 818 N SER A 972 0.868 -12.843 5.479 1.00 0.00 N ATOM 819 CA SER A 972 1.539 -13.259 4.279 1.00 0.00 C ATOM 820 C SER A 972 2.908 -13.851 4.625 1.00 0.00 C ATOM 821 O SER A 972 3.420 -14.683 3.897 1.00 0.00 O ATOM 822 CB SER A 972 1.633 -12.061 3.328 1.00 0.00 C ATOM 823 OG SER A 972 2.481 -11.056 3.835 1.00 0.00 O ATOM 0 H SER A 972 0.698 -11.839 5.536 1.00 0.00 H new ATOM 0 HA SER A 972 0.978 -14.045 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 972 2.004 -12.395 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 972 0.638 -11.648 3.164 1.00 0.00 H new ATOM 0 HG SER A 972 2.754 -11.288 4.747 1.00 0.00 H new ATOM 829 N LEU A 973 3.474 -13.416 5.756 1.00 0.00 N ATOM 830 CA LEU A 973 4.818 -13.821 6.199 1.00 0.00 C ATOM 831 C LEU A 973 4.950 -15.334 6.396 1.00 0.00 C ATOM 832 O LEU A 973 5.880 -15.922 5.854 1.00 0.00 O ATOM 833 CB LEU A 973 5.207 -13.061 7.474 1.00 0.00 C ATOM 834 CG LEU A 973 6.667 -12.612 7.559 1.00 0.00 C ATOM 835 CD1 LEU A 973 6.826 -11.546 8.631 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.579 -13.792 7.852 1.00 0.00 C ATOM 0 H LEU A 973 3.012 -12.769 6.395 1.00 0.00 H new ATOM 0 HA LEU A 973 5.513 -13.558 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 973 4.570 -12.181 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.990 -13.695 8.334 1.00 0.00 H new ATOM 0 HG LEU A 973 6.953 -12.190 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 973 7.869 -11.234 8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 973 6.202 -10.687 8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 973 6.521 -11.952 9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.612 -13.448 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.295 -14.244 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 973 7.485 -14.531 7.056 1.00 0.00 H new ATOM 848 N PRO A 974 4.067 -16.010 7.169 1.00 0.00 N ATOM 849 CA PRO A 974 4.058 -17.476 7.198 1.00 0.00 C ATOM 850 C PRO A 974 3.856 -18.031 5.801 1.00 0.00 C ATOM 851 O PRO A 974 4.288 -19.145 5.473 1.00 0.00 O ATOM 852 CB PRO A 974 2.868 -17.824 8.093 1.00 0.00 C ATOM 853 CG PRO A 974 2.679 -16.620 8.936 1.00 0.00 C ATOM 854 CD PRO A 974 3.074 -15.456 8.074 1.00 0.00 C ATOM 0 HA PRO A 974 4.994 -17.896 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 974 1.977 -18.041 7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.071 -18.706 8.700 1.00 0.00 H new ATOM 0 HG2 PRO A 974 1.644 -16.531 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 974 3.295 -16.670 9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.219 -15.053 7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.486 -14.641 8.669 1.00 0.00 H new ATOM 862 N VAL A 975 3.215 -17.238 4.956 1.00 0.00 N ATOM 863 CA VAL A 975 3.056 -17.649 3.570 1.00 0.00 C ATOM 864 C VAL A 975 4.343 -17.412 2.763 1.00 0.00 C ATOM 865 O VAL A 975 4.518 -18.012 1.706 1.00 0.00 O ATOM 866 CB VAL A 975 1.846 -16.988 2.884 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.378 -17.875 1.754 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.713 -16.762 3.868 1.00 0.00 C ATOM 0 H VAL A 975 2.808 -16.334 5.195 1.00 0.00 H new ATOM 0 HA VAL A 975 2.857 -18.720 3.591 1.00 0.00 H new ATOM 0 HB VAL A 975 2.149 -16.016 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.521 -17.415 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.185 -18.002 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.089 -18.848 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.127 -16.294 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.397 -17.718 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.054 -16.111 4.673 1.00 0.00 H new ATOM 878 N LEU A 976 5.252 -16.555 3.257 1.00 0.00 N ATOM 879 CA LEU A 976 6.579 -16.398 2.630 1.00 0.00 C ATOM 880 C LEU A 976 7.257 -17.762 2.475 1.00 0.00 C ATOM 881 O LEU A 976 7.596 -18.143 1.353 1.00 0.00 O ATOM 882 CB LEU A 976 7.528 -15.447 3.395 1.00 0.00 C ATOM 883 CG LEU A 976 7.383 -13.946 3.152 1.00 0.00 C ATOM 884 CD1 LEU A 976 5.963 -13.467 3.326 1.00 0.00 C ATOM 885 CD2 LEU A 976 8.316 -13.182 4.080 1.00 0.00 C ATOM 0 H LEU A 976 5.098 -15.967 4.076 1.00 0.00 H new ATOM 0 HA LEU A 976 6.392 -15.944 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.394 -15.628 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 976 8.552 -15.728 3.150 1.00 0.00 H new ATOM 0 HG LEU A 976 7.657 -13.755 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 976 5.916 -12.394 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 976 5.315 -13.985 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 976 5.631 -13.676 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 976 8.209 -12.112 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 976 8.062 -13.406 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.346 -13.481 3.887 1.00 0.00 H new ATOM 897 N PRO A 977 7.476 -18.524 3.585 1.00 0.00 N ATOM 898 CA PRO A 977 8.016 -19.887 3.495 1.00 0.00 C ATOM 899 C PRO A 977 7.186 -20.768 2.574 1.00 0.00 C ATOM 900 O PRO A 977 7.732 -21.585 1.830 1.00 0.00 O ATOM 901 CB PRO A 977 7.946 -20.408 4.930 1.00 0.00 C ATOM 902 CG PRO A 977 8.002 -19.187 5.768 1.00 0.00 C ATOM 903 CD PRO A 977 7.272 -18.134 4.990 1.00 0.00 C ATOM 0 HA PRO A 977 9.024 -19.895 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.028 -20.968 5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 977 8.776 -21.079 5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.533 -19.355 6.738 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.033 -18.889 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.213 -18.109 5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.672 -17.140 5.191 1.00 0.00 H new ATOM 911 N ALA A 978 5.865 -20.598 2.622 1.00 0.00 N ATOM 912 CA ALA A 978 4.977 -21.340 1.735 1.00 0.00 C ATOM 913 C ALA A 978 5.327 -21.087 0.267 1.00 0.00 C ATOM 914 O ALA A 978 5.504 -22.033 -0.501 1.00 0.00 O ATOM 915 CB ALA A 978 3.521 -20.987 2.008 1.00 0.00 C ATOM 0 H ALA A 978 5.392 -19.959 3.260 1.00 0.00 H new ATOM 0 HA ALA A 978 5.116 -22.402 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 978 2.877 -21.553 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.274 -21.235 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.369 -19.920 1.845 1.00 0.00 H new ATOM 921 N SER A 979 5.452 -19.810 -0.108 1.00 0.00 N ATOM 922 CA SER A 979 5.766 -19.439 -1.489 1.00 0.00 C ATOM 923 C SER A 979 5.844 -17.911 -1.653 1.00 0.00 C ATOM 924 O SER A 979 6.540 -17.403 -2.539 1.00 0.00 O ATOM 925 CB SER A 979 4.703 -20.019 -2.432 1.00 0.00 C ATOM 926 OG SER A 979 5.024 -19.775 -3.797 1.00 0.00 O ATOM 0 H SER A 979 5.341 -19.018 0.525 1.00 0.00 H new ATOM 0 HA SER A 979 6.743 -19.851 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 979 4.614 -21.092 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 979 3.733 -19.579 -2.202 1.00 0.00 H new ATOM 0 HG SER A 979 4.420 -20.290 -4.372 1.00 0.00 H new ATOM 932 N THR A 980 5.127 -17.193 -0.788 1.00 0.00 N ATOM 933 CA THR A 980 5.036 -15.721 -0.817 1.00 0.00 C ATOM 934 C THR A 980 6.394 -15.011 -0.856 1.00 0.00 C ATOM 935 O THR A 980 6.474 -13.860 -1.280 1.00 0.00 O ATOM 936 CB THR A 980 4.247 -15.218 0.401 1.00 0.00 C ATOM 937 OG1 THR A 980 2.947 -15.788 0.374 1.00 0.00 O ATOM 938 CG2 THR A 980 4.134 -13.704 0.432 1.00 0.00 C ATOM 0 H THR A 980 4.584 -17.616 -0.036 1.00 0.00 H new ATOM 0 HA THR A 980 4.523 -15.476 -1.747 1.00 0.00 H new ATOM 0 HB THR A 980 4.787 -15.522 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.864 -16.377 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.568 -13.399 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 980 5.131 -13.265 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.622 -13.359 -0.466 1.00 0.00 H new ATOM 946 N HIS A 981 7.456 -15.693 -0.438 1.00 0.00 N ATOM 947 CA HIS A 981 8.794 -15.090 -0.385 1.00 0.00 C ATOM 948 C HIS A 981 9.179 -14.464 -1.733 1.00 0.00 C ATOM 949 O HIS A 981 10.050 -13.603 -1.797 1.00 0.00 O ATOM 950 CB HIS A 981 9.834 -16.140 0.026 1.00 0.00 C ATOM 951 CG HIS A 981 11.160 -15.563 0.423 1.00 0.00 C ATOM 952 ND1 HIS A 981 12.316 -15.759 -0.296 1.00 0.00 N ATOM 953 CD2 HIS A 981 11.508 -14.798 1.486 1.00 0.00 C ATOM 954 CE1 HIS A 981 13.315 -15.149 0.309 1.00 0.00 C ATOM 955 NE2 HIS A 981 12.855 -14.553 1.393 1.00 0.00 N ATOM 0 H HIS A 981 7.421 -16.665 -0.130 1.00 0.00 H new ATOM 0 HA HIS A 981 8.774 -14.296 0.361 1.00 0.00 H new ATOM 0 HB2 HIS A 981 9.438 -16.721 0.859 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.984 -16.832 -0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 981 10.847 -14.446 2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 981 14.341 -15.138 -0.027 1.00 0.00 H new ATOM 0 HE2 HIS A 981 13.408 -14.003 2.051 1.00 0.00 H new ATOM 964 N ARG A 982 8.510 -14.892 -2.797 1.00 0.00 N ATOM 965 CA ARG A 982 8.743 -14.314 -4.115 1.00 0.00 C ATOM 966 C ARG A 982 8.061 -12.943 -4.242 1.00 0.00 C ATOM 967 O ARG A 982 8.705 -11.952 -4.601 1.00 0.00 O ATOM 968 CB ARG A 982 8.238 -15.250 -5.212 1.00 0.00 C ATOM 969 CG ARG A 982 8.938 -16.598 -5.232 1.00 0.00 C ATOM 970 CD ARG A 982 8.485 -17.434 -6.414 1.00 0.00 C ATOM 971 NE ARG A 982 9.103 -18.757 -6.432 1.00 0.00 N ATOM 972 CZ ARG A 982 8.972 -19.622 -7.437 1.00 0.00 C ATOM 973 NH1 ARG A 982 8.255 -19.298 -8.508 1.00 0.00 N ATOM 974 NH2 ARG A 982 9.545 -20.816 -7.364 1.00 0.00 N ATOM 0 H ARG A 982 7.807 -15.631 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 982 9.818 -14.180 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.168 -15.408 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 982 8.371 -14.767 -6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 982 10.017 -16.450 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 982 8.731 -17.132 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 982 7.401 -17.543 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.727 -16.911 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 982 9.667 -19.035 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 982 7.803 -18.385 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 982 8.156 -19.962 -9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 982 10.086 -21.072 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 982 9.444 -21.478 -8.134 1.00 0.00 H new ATOM 988 N GLU A 983 6.766 -12.882 -3.918 1.00 0.00 N ATOM 989 CA GLU A 983 6.021 -11.620 -3.978 1.00 0.00 C ATOM 990 C GLU A 983 6.516 -10.626 -2.979 1.00 0.00 C ATOM 991 O GLU A 983 6.830 -9.486 -3.297 1.00 0.00 O ATOM 992 CB GLU A 983 4.562 -11.825 -3.599 1.00 0.00 C ATOM 993 CG GLU A 983 3.914 -10.548 -3.065 1.00 0.00 C ATOM 994 CD GLU A 983 3.420 -10.730 -1.650 1.00 0.00 C ATOM 995 OE1 GLU A 983 2.702 -11.707 -1.403 1.00 0.00 O ATOM 996 OE2 GLU A 983 3.777 -9.915 -0.785 1.00 0.00 O ATOM 0 H GLU A 983 6.215 -13.685 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 983 6.149 -11.268 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.008 -12.173 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.492 -12.608 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 983 4.635 -9.731 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 983 3.081 -10.264 -3.709 1.00 0.00 H new ATOM 1003 N ILE A 984 6.524 -11.072 -1.757 1.00 0.00 N ATOM 1004 CA ILE A 984 6.650 -10.174 -0.647 1.00 0.00 C ATOM 1005 C ILE A 984 7.994 -9.476 -0.692 1.00 0.00 C ATOM 1006 O ILE A 984 8.114 -8.312 -0.336 1.00 0.00 O ATOM 1007 CB ILE A 984 6.445 -10.928 0.672 1.00 0.00 C ATOM 1008 CG1 ILE A 984 6.341 -9.961 1.854 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.592 -11.900 0.874 1.00 0.00 C ATOM 1010 CD1 ILE A 984 5.057 -9.160 1.882 1.00 0.00 C ATOM 0 H ILE A 984 6.444 -12.057 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 984 5.876 -9.409 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 984 5.506 -11.479 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 984 6.425 -10.527 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 984 7.186 -9.273 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 984 7.451 -12.439 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.617 -12.610 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 984 8.533 -11.350 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 984 5.059 -8.499 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.979 -8.565 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 984 4.206 -9.838 1.946 1.00 0.00 H new ATOM 1022 N GLU A 985 9.008 -10.180 -1.163 1.00 0.00 N ATOM 1023 CA GLU A 985 10.270 -9.521 -1.447 1.00 0.00 C ATOM 1024 C GLU A 985 10.090 -8.422 -2.500 1.00 0.00 C ATOM 1025 O GLU A 985 10.574 -7.305 -2.315 1.00 0.00 O ATOM 1026 CB GLU A 985 11.347 -10.508 -1.891 1.00 0.00 C ATOM 1027 CG GLU A 985 11.876 -11.371 -0.761 1.00 0.00 C ATOM 1028 CD GLU A 985 13.267 -11.893 -1.038 1.00 0.00 C ATOM 1029 OE1 GLU A 985 13.410 -12.845 -1.833 1.00 0.00 O ATOM 1030 OE2 GLU A 985 14.233 -11.342 -0.470 1.00 0.00 O ATOM 0 H GLU A 985 8.986 -11.182 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 985 10.605 -9.065 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.940 -11.152 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 985 12.175 -9.955 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.886 -10.791 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 985 11.200 -12.211 -0.602 1.00 0.00 H new ATOM 1037 N MET A 986 9.361 -8.714 -3.580 1.00 0.00 N ATOM 1038 CA MET A 986 9.234 -7.749 -4.670 1.00 0.00 C ATOM 1039 C MET A 986 8.317 -6.579 -4.303 1.00 0.00 C ATOM 1040 O MET A 986 8.716 -5.426 -4.404 1.00 0.00 O ATOM 1041 CB MET A 986 8.785 -8.414 -5.990 1.00 0.00 C ATOM 1042 CG MET A 986 7.325 -8.848 -6.040 1.00 0.00 C ATOM 1043 SD MET A 986 6.836 -9.512 -7.645 1.00 0.00 S ATOM 1044 CE MET A 986 7.138 -8.100 -8.708 1.00 0.00 C ATOM 0 H MET A 986 8.860 -9.591 -3.721 1.00 0.00 H new ATOM 0 HA MET A 986 10.232 -7.343 -4.833 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.968 -7.717 -6.808 1.00 0.00 H new ATOM 0 HB3 MET A 986 9.412 -9.287 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 986 7.150 -9.603 -5.273 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.691 -7.995 -5.798 1.00 0.00 H new ATOM 0 HE1 MET A 986 6.518 -8.178 -9.601 1.00 0.00 H new ATOM 0 HE2 MET A 986 6.891 -7.183 -8.173 1.00 0.00 H new ATOM 0 HE3 MET A 986 8.189 -8.080 -8.997 1.00 0.00 H new ATOM 1054 N ALA A 987 7.109 -6.874 -3.851 1.00 0.00 N ATOM 1055 CA ALA A 987 6.105 -5.853 -3.623 1.00 0.00 C ATOM 1056 C ALA A 987 6.335 -5.102 -2.318 1.00 0.00 C ATOM 1057 O ALA A 987 6.248 -3.881 -2.286 1.00 0.00 O ATOM 1058 CB ALA A 987 4.722 -6.472 -3.651 1.00 0.00 C ATOM 0 H ALA A 987 6.800 -7.822 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 987 6.187 -5.122 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.974 -5.698 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.550 -6.934 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.647 -7.230 -2.871 1.00 0.00 H new ATOM 1064 N GLN A 988 6.630 -5.824 -1.242 1.00 0.00 N ATOM 1065 CA GLN A 988 6.837 -5.189 0.060 1.00 0.00 C ATOM 1066 C GLN A 988 8.047 -4.255 0.032 1.00 0.00 C ATOM 1067 O GLN A 988 7.981 -3.140 0.542 1.00 0.00 O ATOM 1068 CB GLN A 988 7.008 -6.233 1.167 1.00 0.00 C ATOM 1069 CG GLN A 988 7.363 -5.654 2.532 1.00 0.00 C ATOM 1070 CD GLN A 988 6.152 -5.293 3.371 1.00 0.00 C ATOM 1071 OE1 GLN A 988 6.209 -5.336 4.599 1.00 0.00 O ATOM 1072 NE2 GLN A 988 5.050 -4.946 2.727 1.00 0.00 N ATOM 0 H GLN A 988 6.731 -6.839 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 988 5.947 -4.599 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.083 -6.803 1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.787 -6.935 0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 988 7.970 -6.377 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 988 7.976 -4.764 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 988 5.041 -4.922 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 988 4.209 -4.702 3.250 1.00 0.00 H new ATOM 1081 N LYS A 989 9.147 -4.697 -0.567 1.00 0.00 N ATOM 1082 CA LYS A 989 10.329 -3.849 -0.661 1.00 0.00 C ATOM 1083 C LYS A 989 10.042 -2.670 -1.583 1.00 0.00 C ATOM 1084 O LYS A 989 10.561 -1.564 -1.397 1.00 0.00 O ATOM 1085 CB LYS A 989 11.526 -4.648 -1.174 1.00 0.00 C ATOM 1086 CG LYS A 989 12.843 -3.898 -1.084 1.00 0.00 C ATOM 1087 CD LYS A 989 13.999 -4.755 -1.563 1.00 0.00 C ATOM 1088 CE LYS A 989 15.333 -4.063 -1.343 1.00 0.00 C ATOM 1089 NZ LYS A 989 16.473 -4.903 -1.793 1.00 0.00 N ATOM 0 H LYS A 989 9.245 -5.621 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 989 10.574 -3.474 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.605 -5.574 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.347 -4.928 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.788 -2.989 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 989 13.019 -3.590 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 989 13.991 -5.708 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.874 -4.978 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 989 15.344 -3.116 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 989 15.450 -3.828 -0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 17.365 -4.396 -1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 16.478 -5.796 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 16.375 -5.106 -2.808 1.00 0.00 H new ATOM 1103 N LEU A 990 9.194 -2.924 -2.569 1.00 0.00 N ATOM 1104 CA LEU A 990 8.739 -1.898 -3.491 1.00 0.00 C ATOM 1105 C LEU A 990 7.924 -0.838 -2.751 1.00 0.00 C ATOM 1106 O LEU A 990 8.224 0.351 -2.835 1.00 0.00 O ATOM 1107 CB LEU A 990 7.942 -2.567 -4.632 1.00 0.00 C ATOM 1108 CG LEU A 990 6.673 -1.859 -5.128 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.000 -0.523 -5.782 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.926 -2.752 -6.108 1.00 0.00 C ATOM 0 H LEU A 990 8.803 -3.848 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 990 9.592 -1.381 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.612 -2.688 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.661 -3.567 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 990 6.039 -1.662 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 990 6.079 -0.049 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.496 0.124 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.659 -0.687 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.028 -2.241 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.568 -2.974 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.646 -3.682 -5.613 1.00 0.00 H new ATOM 1122 N LEU A 991 6.938 -1.270 -1.975 1.00 0.00 N ATOM 1123 CA LEU A 991 6.052 -0.332 -1.303 1.00 0.00 C ATOM 1124 C LEU A 991 6.738 0.342 -0.130 1.00 0.00 C ATOM 1125 O LEU A 991 6.403 1.467 0.225 1.00 0.00 O ATOM 1126 CB LEU A 991 4.733 -1.004 -0.889 1.00 0.00 C ATOM 1127 CG LEU A 991 4.818 -2.306 -0.100 1.00 0.00 C ATOM 1128 CD1 LEU A 991 5.201 -2.047 1.343 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.488 -3.028 -0.168 1.00 0.00 C ATOM 0 H LEU A 991 6.734 -2.253 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 991 5.802 0.452 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 991 4.164 -0.289 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.157 -1.197 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 991 5.593 -2.930 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 991 5.254 -2.994 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 991 6.173 -1.555 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 991 4.452 -1.406 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 991 3.550 -3.959 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.709 -2.396 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.247 -3.250 -1.208 1.00 0.00 H new ATOM 1141 N ASN A 992 7.713 -0.334 0.460 1.00 0.00 N ATOM 1142 CA ASN A 992 8.501 0.266 1.521 1.00 0.00 C ATOM 1143 C ASN A 992 9.164 1.534 1.002 1.00 0.00 C ATOM 1144 O ASN A 992 9.188 2.562 1.673 1.00 0.00 O ATOM 1145 CB ASN A 992 9.572 -0.705 2.029 1.00 0.00 C ATOM 1146 CG ASN A 992 10.349 -0.140 3.201 1.00 0.00 C ATOM 1147 OD1 ASN A 992 9.814 0.614 4.012 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.620 -0.492 3.298 1.00 0.00 N ATOM 0 H ASN A 992 7.974 -1.291 0.223 1.00 0.00 H new ATOM 0 HA ASN A 992 7.837 0.506 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.099 -1.641 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.261 -0.940 1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 992 12.191 -0.136 4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 992 12.030 -1.120 2.606 1.00 0.00 H new ATOM 1155 N SER A 993 9.673 1.447 -0.217 1.00 0.00 N ATOM 1156 CA SER A 993 10.388 2.548 -0.837 1.00 0.00 C ATOM 1157 C SER A 993 9.434 3.624 -1.368 1.00 0.00 C ATOM 1158 O SER A 993 9.786 4.802 -1.419 1.00 0.00 O ATOM 1159 CB SER A 993 11.263 2.009 -1.968 1.00 0.00 C ATOM 1160 OG SER A 993 12.046 0.908 -1.523 1.00 0.00 O ATOM 0 H SER A 993 9.602 0.614 -0.801 1.00 0.00 H new ATOM 0 HA SER A 993 11.012 3.019 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 993 10.635 1.700 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 993 11.916 2.800 -2.336 1.00 0.00 H new ATOM 0 HG SER A 993 11.491 0.101 -1.499 1.00 0.00 H new ATOM 1166 N ASP A 994 8.223 3.226 -1.738 1.00 0.00 N ATOM 1167 CA ASP A 994 7.299 4.137 -2.413 1.00 0.00 C ATOM 1168 C ASP A 994 6.330 4.807 -1.437 1.00 0.00 C ATOM 1169 O ASP A 994 6.094 6.015 -1.539 1.00 0.00 O ATOM 1170 CB ASP A 994 6.552 3.418 -3.535 1.00 0.00 C ATOM 1171 CG ASP A 994 7.358 3.371 -4.822 1.00 0.00 C ATOM 1172 OD1 ASP A 994 8.252 2.500 -4.953 1.00 0.00 O ATOM 1173 OD2 ASP A 994 7.125 4.224 -5.704 1.00 0.00 O ATOM 0 H ASP A 994 7.857 2.286 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 994 7.896 4.934 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.315 2.402 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.604 3.923 -3.720 1.00 0.00 H new ATOM 1178 N LEU A 995 5.779 4.041 -0.489 1.00 0.00 N ATOM 1179 CA LEU A 995 5.027 4.625 0.624 1.00 0.00 C ATOM 1180 C LEU A 995 5.924 5.670 1.299 1.00 0.00 C ATOM 1181 O LEU A 995 5.495 6.784 1.611 1.00 0.00 O ATOM 1182 CB LEU A 995 4.621 3.535 1.648 1.00 0.00 C ATOM 1183 CG LEU A 995 3.281 3.723 2.380 1.00 0.00 C ATOM 1184 CD1 LEU A 995 3.118 5.142 2.895 1.00 0.00 C ATOM 1185 CD2 LEU A 995 2.121 3.327 1.482 1.00 0.00 C ATOM 0 H LEU A 995 5.839 3.023 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 995 4.112 5.085 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 995 4.591 2.577 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.409 3.466 2.398 1.00 0.00 H new ATOM 0 HG LEU A 995 3.281 3.064 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 995 2.160 5.236 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 995 3.925 5.371 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 995 3.152 5.839 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.182 3.467 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 995 2.125 3.949 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.223 2.280 1.196 1.00 0.00 H new ATOM 1197 N ALA A 996 7.182 5.283 1.497 1.00 0.00 N ATOM 1198 CA ALA A 996 8.192 6.166 2.075 1.00 0.00 C ATOM 1199 C ALA A 996 8.302 7.490 1.322 1.00 0.00 C ATOM 1200 O ALA A 996 8.374 8.552 1.932 1.00 0.00 O ATOM 1201 CB ALA A 996 9.548 5.484 2.130 1.00 0.00 C ATOM 0 H ALA A 996 7.529 4.353 1.263 1.00 0.00 H new ATOM 0 HA ALA A 996 7.866 6.388 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.280 6.165 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.479 4.586 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.860 5.212 1.122 1.00 0.00 H new ATOM 1207 N GLU A 997 8.341 7.444 0.003 1.00 0.00 N ATOM 1208 CA GLU A 997 8.404 8.674 -0.771 1.00 0.00 C ATOM 1209 C GLU A 997 7.195 9.541 -0.537 1.00 0.00 C ATOM 1210 O GLU A 997 7.308 10.754 -0.528 1.00 0.00 O ATOM 1211 CB GLU A 997 8.547 8.389 -2.252 1.00 0.00 C ATOM 1212 CG GLU A 997 9.852 7.714 -2.579 1.00 0.00 C ATOM 1213 CD GLU A 997 11.032 8.637 -2.378 1.00 0.00 C ATOM 1214 OE1 GLU A 997 11.315 9.448 -3.282 1.00 0.00 O ATOM 1215 OE2 GLU A 997 11.672 8.573 -1.309 1.00 0.00 O ATOM 0 H GLU A 997 8.331 6.586 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 997 9.288 9.213 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.721 7.757 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.474 9.323 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.971 6.831 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.833 7.369 -3.613 1.00 0.00 H new ATOM 1222 N LEU A 998 6.044 8.938 -0.339 1.00 0.00 N ATOM 1223 CA LEU A 998 4.850 9.723 -0.101 1.00 0.00 C ATOM 1224 C LEU A 998 4.933 10.393 1.247 1.00 0.00 C ATOM 1225 O LEU A 998 4.495 11.529 1.411 1.00 0.00 O ATOM 1226 CB LEU A 998 3.589 8.877 -0.195 1.00 0.00 C ATOM 1227 CG LEU A 998 2.836 9.027 -1.511 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.239 10.420 -1.627 1.00 0.00 C ATOM 1229 CD2 LEU A 998 3.770 8.754 -2.671 1.00 0.00 C ATOM 0 H LEU A 998 5.908 7.927 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 998 4.791 10.484 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.856 7.829 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.923 9.145 0.625 1.00 0.00 H new ATOM 0 HG LEU A 998 2.021 8.304 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.705 10.509 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.547 10.589 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.037 11.162 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 998 3.226 8.863 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 998 4.597 9.463 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 998 4.160 7.739 -2.593 1.00 0.00 H new ATOM 1241 N ILE A 999 5.542 9.716 2.204 1.00 0.00 N ATOM 1242 CA ILE A 999 5.646 10.289 3.545 1.00 0.00 C ATOM 1243 C ILE A 999 6.682 11.411 3.553 1.00 0.00 C ATOM 1244 O ILE A 999 6.760 12.203 4.488 1.00 0.00 O ATOM 1245 CB ILE A 999 5.959 9.255 4.660 1.00 0.00 C ATOM 1246 CG1 ILE A 999 7.399 8.747 4.580 1.00 0.00 C ATOM 1247 CG2 ILE A 999 4.976 8.095 4.588 1.00 0.00 C ATOM 1248 CD1 ILE A 999 7.779 7.803 5.702 1.00 0.00 C ATOM 0 H ILE A 999 5.963 8.794 2.090 1.00 0.00 H new ATOM 0 HA ILE A 999 4.658 10.684 3.782 1.00 0.00 H new ATOM 0 HB ILE A 999 5.848 9.758 5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 999 7.542 8.239 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 999 8.076 9.601 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.204 7.375 5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.961 8.469 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 999 5.058 7.609 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 999 8.814 7.486 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 999 7.669 8.313 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 999 7.127 6.930 5.679 1.00 0.00 H new ATOM 1260 N ASN A1000 7.473 11.488 2.495 1.00 0.00 N ATOM 1261 CA ASN A1000 8.361 12.622 2.302 1.00 0.00 C ATOM 1262 C ASN A1000 7.795 13.541 1.242 1.00 0.00 C ATOM 1263 O ASN A1000 8.341 14.596 0.986 1.00 0.00 O ATOM 1264 CB ASN A1000 9.788 12.145 1.975 1.00 0.00 C ATOM 1265 CG ASN A1000 10.030 11.688 0.538 1.00 0.00 C ATOM 1266 OD1 ASN A1000 9.580 12.293 -0.437 1.00 0.00 O ATOM 1267 ND2 ASN A1000 10.747 10.585 0.413 1.00 0.00 N ATOM 0 H ASN A1000 7.518 10.782 1.760 1.00 0.00 H new ATOM 0 HA ASN A1000 8.430 13.194 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A1000 10.481 12.956 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.036 11.321 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A1000 10.944 10.207 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A1000 11.103 10.111 1.243 1.00 0.00 H new ATOM 1274 N LYS A1001 6.686 13.134 0.645 1.00 0.00 N ATOM 1275 CA LYS A1001 5.932 14.010 -0.237 1.00 0.00 C ATOM 1276 C LYS A1001 4.978 14.846 0.598 1.00 0.00 C ATOM 1277 O LYS A1001 4.669 15.978 0.255 1.00 0.00 O ATOM 1278 CB LYS A1001 5.173 13.232 -1.313 1.00 0.00 C ATOM 1279 CG LYS A1001 6.075 12.616 -2.371 1.00 0.00 C ATOM 1280 CD LYS A1001 6.971 13.658 -3.024 1.00 0.00 C ATOM 1281 CE LYS A1001 7.969 13.011 -3.971 1.00 0.00 C ATOM 1282 NZ LYS A1001 8.893 12.086 -3.259 1.00 0.00 N ATOM 0 H LYS A1001 6.288 12.201 0.755 1.00 0.00 H new ATOM 0 HA LYS A1001 6.633 14.659 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A1001 4.594 12.441 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A1001 4.462 13.900 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.691 11.840 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A1001 5.464 12.133 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A1001 6.359 14.376 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A1001 7.505 14.216 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A1001 7.432 12.463 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A1001 8.548 13.786 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 9.867 12.250 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 8.837 12.259 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 8.622 11.102 -3.459 1.00 0.00 H new ATOM 1296 N MET A1002 4.531 14.269 1.711 1.00 0.00 N ATOM 1297 CA MET A1002 3.758 15.002 2.695 1.00 0.00 C ATOM 1298 C MET A1002 4.709 15.929 3.409 1.00 0.00 C ATOM 1299 O MET A1002 4.378 17.068 3.730 1.00 0.00 O ATOM 1300 CB MET A1002 3.093 14.051 3.701 1.00 0.00 C ATOM 1301 CG MET A1002 4.055 13.407 4.688 1.00 0.00 C ATOM 1302 SD MET A1002 3.249 12.238 5.799 1.00 0.00 S ATOM 1303 CE MET A1002 4.601 11.823 6.897 1.00 0.00 C ATOM 0 H MET A1002 4.695 13.291 1.949 1.00 0.00 H new ATOM 0 HA MET A1002 2.960 15.559 2.204 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.336 14.603 4.258 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.575 13.265 3.152 1.00 0.00 H new ATOM 0 HG2 MET A1002 4.842 12.892 4.136 1.00 0.00 H new ATOM 0 HG3 MET A1002 4.537 14.187 5.278 1.00 0.00 H new ATOM 0 HE1 MET A1002 4.595 10.751 7.093 1.00 0.00 H new ATOM 0 HE2 MET A1002 5.546 12.101 6.431 1.00 0.00 H new ATOM 0 HE3 MET A1002 4.486 12.364 7.836 1.00 0.00 H new ATOM 1313 N LYS A1003 5.910 15.412 3.637 1.00 0.00 N ATOM 1314 CA LYS A1003 6.984 16.200 4.166 1.00 0.00 C ATOM 1315 C LYS A1003 7.321 17.301 3.176 1.00 0.00 C ATOM 1316 O LYS A1003 7.310 18.454 3.540 1.00 0.00 O ATOM 1317 CB LYS A1003 8.200 15.316 4.452 1.00 0.00 C ATOM 1318 CG LYS A1003 9.388 16.067 5.030 1.00 0.00 C ATOM 1319 CD LYS A1003 9.041 16.768 6.339 1.00 0.00 C ATOM 1320 CE LYS A1003 8.658 15.784 7.437 1.00 0.00 C ATOM 1321 NZ LYS A1003 8.364 16.479 8.718 1.00 0.00 N ATOM 0 H LYS A1003 6.153 14.438 3.457 1.00 0.00 H new ATOM 0 HA LYS A1003 6.682 16.655 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A1003 7.908 14.528 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.507 14.828 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A1003 10.209 15.371 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A1003 9.738 16.803 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A1003 9.894 17.362 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A1003 8.216 17.460 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A1003 7.785 15.211 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A1003 9.469 15.072 7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 8.274 15.778 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 9.138 17.136 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 7.474 17.010 8.629 1.00 0.00 H new ATOM 1335 N LEU A1004 7.588 16.926 1.927 1.00 0.00 N ATOM 1336 CA LEU A1004 7.891 17.887 0.862 1.00 0.00 C ATOM 1337 C LEU A1004 6.795 18.934 0.676 1.00 0.00 C ATOM 1338 O LEU A1004 7.091 20.120 0.576 1.00 0.00 O ATOM 1339 CB LEU A1004 8.144 17.164 -0.465 1.00 0.00 C ATOM 1340 CG LEU A1004 9.556 16.595 -0.639 1.00 0.00 C ATOM 1341 CD1 LEU A1004 9.704 15.948 -2.006 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.598 17.684 -0.444 1.00 0.00 C ATOM 0 H LEU A1004 7.601 15.953 1.623 1.00 0.00 H new ATOM 0 HA LEU A1004 8.794 18.412 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.427 16.348 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.946 17.858 -1.282 1.00 0.00 H new ATOM 0 HG LEU A1004 9.716 15.830 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A1004 10.713 15.549 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A1004 8.981 15.138 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A1004 9.524 16.692 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.595 17.261 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.442 18.473 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.506 18.100 0.559 1.00 0.00 H new ATOM 1354 N ALA A1005 5.543 18.505 0.625 1.00 0.00 N ATOM 1355 CA ALA A1005 4.429 19.436 0.468 1.00 0.00 C ATOM 1356 C ALA A1005 4.391 20.419 1.632 1.00 0.00 C ATOM 1357 O ALA A1005 4.292 21.634 1.449 1.00 0.00 O ATOM 1358 CB ALA A1005 3.117 18.673 0.366 1.00 0.00 C ATOM 0 H ALA A1005 5.271 17.524 0.689 1.00 0.00 H new ATOM 0 HA ALA A1005 4.572 20.002 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.294 19.378 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.149 18.007 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.966 18.086 1.272 1.00 0.00 H new ATOM 1364 N GLN A1006 4.514 19.886 2.836 1.00 0.00 N ATOM 1365 CA GLN A1006 4.520 20.706 4.036 1.00 0.00 C ATOM 1366 C GLN A1006 5.872 21.409 4.184 1.00 0.00 C ATOM 1367 O GLN A1006 6.055 22.287 5.030 1.00 0.00 O ATOM 1368 CB GLN A1006 4.233 19.826 5.253 1.00 0.00 C ATOM 1369 CG GLN A1006 5.477 19.216 5.884 1.00 0.00 C ATOM 1370 CD GLN A1006 5.239 18.688 7.284 1.00 0.00 C ATOM 1371 OE1 GLN A1006 5.862 17.713 7.705 1.00 0.00 O ATOM 1372 NE2 GLN A1006 4.363 19.347 8.032 1.00 0.00 N ATOM 0 H GLN A1006 4.611 18.885 3.009 1.00 0.00 H new ATOM 0 HA GLN A1006 3.745 21.469 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.712 20.420 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.558 19.023 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A1006 5.836 18.403 5.252 1.00 0.00 H new ATOM 0 HG3 GLN A1006 6.266 19.967 5.915 1.00 0.00 H new ATOM 0 HE21 GLN A1006 3.866 20.151 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A1006 4.186 19.050 8.992 1.00 0.00 H new ATOM 1381 N GLN A1007 6.816 20.988 3.357 1.00 0.00 N ATOM 1382 CA GLN A1007 8.169 21.521 3.358 1.00 0.00 C ATOM 1383 C GLN A1007 8.266 22.728 2.431 1.00 0.00 C ATOM 1384 O GLN A1007 9.100 23.609 2.627 1.00 0.00 O ATOM 1385 CB GLN A1007 9.150 20.428 2.898 1.00 0.00 C ATOM 1386 CG GLN A1007 10.535 20.530 3.505 1.00 0.00 C ATOM 1387 CD GLN A1007 10.601 20.029 4.940 1.00 0.00 C ATOM 1388 OE1 GLN A1007 11.672 19.648 5.421 1.00 0.00 O ATOM 1389 NE2 GLN A1007 9.457 19.948 5.614 1.00 0.00 N ATOM 0 H GLN A1007 6.663 20.260 2.660 1.00 0.00 H new ATOM 0 HA GLN A1007 8.425 21.839 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.730 19.453 3.145 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.239 20.471 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A1007 11.234 19.958 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.862 21.569 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.589 20.272 5.187 1.00 0.00 H new ATOM 0 HE22 GLN A1007 9.448 19.562 6.558 1.00 0.00 H new ATOM 1398 N TYR A1008 7.406 22.755 1.427 1.00 0.00 N ATOM 1399 CA TYR A1008 7.390 23.835 0.450 1.00 0.00 C ATOM 1400 C TYR A1008 6.034 24.531 0.480 1.00 0.00 C ATOM 1401 O TYR A1008 5.642 25.210 -0.468 1.00 0.00 O ATOM 1402 CB TYR A1008 7.687 23.265 -0.941 1.00 0.00 C ATOM 1403 CG TYR A1008 8.001 24.299 -2.000 1.00 0.00 C ATOM 1404 CD1 TYR A1008 8.973 25.270 -1.790 1.00 0.00 C ATOM 1405 CD2 TYR A1008 7.335 24.287 -3.220 1.00 0.00 C ATOM 1406 CE1 TYR A1008 9.270 26.203 -2.762 1.00 0.00 C ATOM 1407 CE2 TYR A1008 7.629 25.219 -4.198 1.00 0.00 C ATOM 1408 CZ TYR A1008 8.596 26.175 -3.964 1.00 0.00 C ATOM 1409 OH TYR A1008 8.890 27.105 -4.936 1.00 0.00 O ATOM 0 H TYR A1008 6.702 22.034 1.265 1.00 0.00 H new ATOM 0 HA TYR A1008 8.157 24.571 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A1008 8.530 22.578 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A1008 6.828 22.680 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR A1008 9.505 25.295 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.578 23.540 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A1008 10.027 26.952 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.104 25.199 -5.141 1.00 0.00 H new ATOM 0 HH TYR A1008 8.327 26.946 -5.722 1.00 0.00 H new ATOM 1496 N GLN A1014 3.430 26.030 -3.837 1.00 0.00 N ATOM 1497 CA GLN A1014 3.361 24.652 -3.336 1.00 0.00 C ATOM 1498 C GLN A1014 3.099 23.665 -4.479 1.00 0.00 C ATOM 1499 O GLN A1014 3.597 22.545 -4.470 1.00 0.00 O ATOM 1500 CB GLN A1014 2.228 24.541 -2.305 1.00 0.00 C ATOM 1501 CG GLN A1014 2.425 23.491 -1.213 1.00 0.00 C ATOM 1502 CD GLN A1014 2.987 22.185 -1.726 1.00 0.00 C ATOM 1503 OE1 GLN A1014 4.186 21.938 -1.643 1.00 0.00 O ATOM 1504 NE2 GLN A1014 2.138 21.374 -2.334 1.00 0.00 N ATOM 0 HA GLN A1014 4.317 24.405 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.098 25.513 -1.829 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.301 24.319 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.095 23.891 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.468 23.300 -0.727 1.00 0.00 H new ATOM 0 HE21 GLN A1014 1.148 21.615 -2.382 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.473 20.507 -2.755 1.00 0.00 H new ATOM 1513 N GLN A1015 2.360 24.116 -5.484 1.00 0.00 N ATOM 1514 CA GLN A1015 1.859 23.227 -6.529 1.00 0.00 C ATOM 1515 C GLN A1015 2.986 22.431 -7.197 1.00 0.00 C ATOM 1516 O GLN A1015 2.790 21.279 -7.583 1.00 0.00 O ATOM 1517 CB GLN A1015 1.071 24.014 -7.569 1.00 0.00 C ATOM 1518 CG GLN A1015 1.891 25.060 -8.311 1.00 0.00 C ATOM 1519 CD GLN A1015 1.107 25.741 -9.416 1.00 0.00 C ATOM 1520 OE1 GLN A1015 1.336 26.907 -9.725 1.00 0.00 O ATOM 1521 NE2 GLN A1015 0.191 25.010 -10.030 1.00 0.00 N ATOM 0 H GLN A1015 2.093 25.094 -5.600 1.00 0.00 H new ATOM 0 HA GLN A1015 1.193 22.508 -6.051 1.00 0.00 H new ATOM 0 HB2 GLN A1015 0.650 23.317 -8.294 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.233 24.507 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.241 25.811 -7.603 1.00 0.00 H new ATOM 0 HG3 GLN A1015 2.776 24.587 -8.737 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.032 24.044 -9.742 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -0.356 25.412 -10.791 1.00 0.00 H new ATOM 1530 N GLU A1016 4.150 23.051 -7.343 1.00 0.00 N ATOM 1531 CA GLU A1016 5.334 22.341 -7.826 1.00 0.00 C ATOM 1532 C GLU A1016 5.580 21.058 -7.024 1.00 0.00 C ATOM 1533 O GLU A1016 5.718 19.977 -7.592 1.00 0.00 O ATOM 1534 CB GLU A1016 6.581 23.220 -7.769 1.00 0.00 C ATOM 1535 CG GLU A1016 7.811 22.495 -8.284 1.00 0.00 C ATOM 1536 CD GLU A1016 9.043 23.359 -8.327 1.00 0.00 C ATOM 1537 OE1 GLU A1016 9.230 24.075 -9.331 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.843 23.308 -7.371 1.00 0.00 O ATOM 0 H GLU A1016 4.302 24.038 -7.136 1.00 0.00 H new ATOM 0 HA GLU A1016 5.138 22.079 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.417 24.121 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.752 23.540 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A1016 8.005 21.630 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A1016 7.607 22.116 -9.286 1.00 0.00 H new ATOM 1545 N TYR A1017 5.631 21.176 -5.707 1.00 0.00 N ATOM 1546 CA TYR A1017 5.824 20.013 -4.847 1.00 0.00 C ATOM 1547 C TYR A1017 4.543 19.190 -4.759 1.00 0.00 C ATOM 1548 O TYR A1017 4.576 17.997 -4.459 1.00 0.00 O ATOM 1549 CB TYR A1017 6.300 20.443 -3.454 1.00 0.00 C ATOM 1550 CG TYR A1017 7.788 20.717 -3.381 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.452 21.363 -4.417 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.533 20.318 -2.278 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.810 21.605 -4.355 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.891 20.557 -2.210 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.523 21.201 -3.248 1.00 0.00 C ATOM 1556 OH TYR A1017 11.878 21.438 -3.181 1.00 0.00 O ATOM 0 H TYR A1017 5.542 22.061 -5.208 1.00 0.00 H new ATOM 0 HA TYR A1017 6.598 19.384 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.758 21.340 -3.155 1.00 0.00 H new ATOM 0 HB3 TYR A1017 6.047 19.663 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.896 21.681 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.041 19.812 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.310 22.108 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.455 20.240 -1.345 1.00 0.00 H new ATOM 0 HH TYR A1017 12.229 21.092 -2.334 1.00 0.00 H new ATOM 1566 N LYS A1018 3.421 19.828 -5.059 1.00 0.00 N ATOM 1567 CA LYS A1018 2.129 19.154 -5.100 1.00 0.00 C ATOM 1568 C LYS A1018 2.089 18.147 -6.246 1.00 0.00 C ATOM 1569 O LYS A1018 1.680 17.005 -6.062 1.00 0.00 O ATOM 1570 CB LYS A1018 1.004 20.182 -5.264 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.377 19.583 -5.479 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.381 20.664 -5.838 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.745 20.083 -6.170 1.00 0.00 C ATOM 1574 NZ LYS A1018 -3.696 21.131 -6.625 1.00 0.00 N ATOM 0 H LYS A1018 3.379 20.823 -5.280 1.00 0.00 H new ATOM 0 HA LYS A1018 1.986 18.619 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A1018 0.977 20.815 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.241 20.828 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.336 18.839 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.699 19.066 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.476 21.362 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.012 21.234 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -2.638 19.327 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -3.150 19.582 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -4.615 20.695 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.817 21.839 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.322 21.593 -7.479 1.00 0.00 H new ATOM 1588 N LYS A1019 2.528 18.575 -7.425 1.00 0.00 N ATOM 1589 CA LYS A1019 2.530 17.707 -8.602 1.00 0.00 C ATOM 1590 C LYS A1019 3.637 16.664 -8.501 1.00 0.00 C ATOM 1591 O LYS A1019 3.588 15.621 -9.153 1.00 0.00 O ATOM 1592 CB LYS A1019 2.685 18.531 -9.881 1.00 0.00 C ATOM 1593 CG LYS A1019 4.021 19.249 -10.001 1.00 0.00 C ATOM 1594 CD LYS A1019 4.062 20.109 -11.246 1.00 0.00 C ATOM 1595 CE LYS A1019 5.415 20.770 -11.447 1.00 0.00 C ATOM 1596 NZ LYS A1019 5.419 21.614 -12.669 1.00 0.00 N ATOM 0 H LYS A1019 2.887 19.515 -7.593 1.00 0.00 H new ATOM 0 HA LYS A1019 1.572 17.188 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A1019 2.560 17.873 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A1019 1.883 19.268 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A1019 4.185 19.869 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A1019 4.829 18.519 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.827 19.496 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.291 20.877 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A1019 5.658 21.381 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS A1019 6.189 20.006 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 6.354 22.054 -12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.210 21.024 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.696 22.356 -12.581 1.00 0.00 H new ATOM 1610 N GLN A1020 4.613 16.939 -7.653 1.00 0.00 N ATOM 1611 CA GLN A1020 5.679 15.983 -7.399 1.00 0.00 C ATOM 1612 C GLN A1020 5.178 14.942 -6.414 1.00 0.00 C ATOM 1613 O GLN A1020 5.535 13.770 -6.480 1.00 0.00 O ATOM 1614 CB GLN A1020 6.934 16.679 -6.868 1.00 0.00 C ATOM 1615 CG GLN A1020 7.694 17.444 -7.939 1.00 0.00 C ATOM 1616 CD GLN A1020 8.919 18.152 -7.397 1.00 0.00 C ATOM 1617 OE1 GLN A1020 10.005 17.578 -7.331 1.00 0.00 O ATOM 1618 NE2 GLN A1020 8.757 19.408 -7.024 1.00 0.00 N ATOM 0 H GLN A1020 4.690 17.812 -7.131 1.00 0.00 H new ATOM 0 HA GLN A1020 5.956 15.497 -8.335 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.650 17.367 -6.072 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.595 15.934 -6.425 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.997 16.754 -8.726 1.00 0.00 H new ATOM 0 HG3 GLN A1020 7.029 18.177 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A1020 7.839 19.847 -7.095 1.00 0.00 H new ATOM 0 HE22 GLN A1020 9.550 19.940 -6.665 1.00 0.00 H new ATOM 1627 N MET A1021 4.318 15.391 -5.514 1.00 0.00 N ATOM 1628 CA MET A1021 3.645 14.509 -4.578 1.00 0.00 C ATOM 1629 C MET A1021 2.599 13.668 -5.303 1.00 0.00 C ATOM 1630 O MET A1021 2.452 12.484 -5.028 1.00 0.00 O ATOM 1631 CB MET A1021 2.991 15.337 -3.473 1.00 0.00 C ATOM 1632 CG MET A1021 2.123 14.534 -2.520 1.00 0.00 C ATOM 1633 SD MET A1021 1.412 15.559 -1.221 1.00 0.00 S ATOM 1634 CE MET A1021 0.569 16.804 -2.196 1.00 0.00 C ATOM 0 H MET A1021 4.068 16.375 -5.413 1.00 0.00 H new ATOM 0 HA MET A1021 4.377 13.836 -4.131 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.772 15.838 -2.900 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.382 16.116 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A1021 1.322 14.052 -3.080 1.00 0.00 H new ATOM 0 HG3 MET A1021 2.719 13.741 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.342 17.113 -1.683 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.222 17.667 -2.327 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.314 16.391 -3.172 1.00 0.00 H new ATOM 1644 N LEU A1022 1.890 14.288 -6.241 1.00 0.00 N ATOM 1645 CA LEU A1022 0.851 13.605 -7.009 1.00 0.00 C ATOM 1646 C LEU A1022 1.446 12.498 -7.879 1.00 0.00 C ATOM 1647 O LEU A1022 0.964 11.366 -7.874 1.00 0.00 O ATOM 1648 CB LEU A1022 0.092 14.610 -7.881 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.065 14.027 -8.698 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -2.138 13.464 -7.780 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.649 15.088 -9.617 1.00 0.00 C ATOM 0 H LEU A1022 2.016 15.269 -6.490 1.00 0.00 H new ATOM 0 HA LEU A1022 0.156 13.147 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.300 15.399 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.799 15.078 -8.566 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.680 13.212 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.951 13.055 -8.379 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.710 12.675 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.523 14.258 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.470 14.660 -10.192 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.019 15.922 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -0.877 15.444 -10.299 1.00 0.00 H new ATOM 1663 N THR A1023 2.501 12.829 -8.616 1.00 0.00 N ATOM 1664 CA THR A1023 3.173 11.856 -9.471 1.00 0.00 C ATOM 1665 C THR A1023 3.755 10.714 -8.635 1.00 0.00 C ATOM 1666 O THR A1023 3.772 9.553 -9.055 1.00 0.00 O ATOM 1667 CB THR A1023 4.288 12.533 -10.295 1.00 0.00 C ATOM 1668 OG1 THR A1023 3.750 13.673 -10.981 1.00 0.00 O ATOM 1669 CG2 THR A1023 4.886 11.568 -11.306 1.00 0.00 C ATOM 0 H THR A1023 2.909 13.763 -8.639 1.00 0.00 H new ATOM 0 HA THR A1023 2.435 11.443 -10.158 1.00 0.00 H new ATOM 0 HB THR A1023 5.078 12.846 -9.612 1.00 0.00 H new ATOM 0 HG1 THR A1023 3.887 14.477 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A1023 5.669 12.073 -11.872 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.311 10.711 -10.784 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.107 11.227 -11.988 1.00 0.00 H new ATOM 1677 N ALA A1024 4.188 11.045 -7.426 1.00 0.00 N ATOM 1678 CA ALA A1024 4.721 10.044 -6.521 1.00 0.00 C ATOM 1679 C ALA A1024 3.583 9.230 -5.921 1.00 0.00 C ATOM 1680 O ALA A1024 3.712 8.028 -5.708 1.00 0.00 O ATOM 1681 CB ALA A1024 5.548 10.696 -5.426 1.00 0.00 C ATOM 0 H ALA A1024 4.180 11.995 -7.054 1.00 0.00 H new ATOM 0 HA ALA A1024 5.374 9.376 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.938 9.928 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.378 11.243 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.922 11.385 -4.859 1.00 0.00 H new ATOM 1687 N ALA A1025 2.463 9.899 -5.659 1.00 0.00 N ATOM 1688 CA ALA A1025 1.278 9.246 -5.117 1.00 0.00 C ATOM 1689 C ALA A1025 0.768 8.188 -6.078 1.00 0.00 C ATOM 1690 O ALA A1025 0.291 7.135 -5.663 1.00 0.00 O ATOM 1691 CB ALA A1025 0.186 10.266 -4.829 1.00 0.00 C ATOM 0 H ALA A1025 2.353 10.901 -5.815 1.00 0.00 H new ATOM 0 HA ALA A1025 1.554 8.762 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.689 9.758 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.550 10.994 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.086 10.779 -5.752 1.00 0.00 H new ATOM 1697 N HIS A1026 0.873 8.476 -7.370 1.00 0.00 N ATOM 1698 CA HIS A1026 0.511 7.505 -8.389 1.00 0.00 C ATOM 1699 C HIS A1026 1.426 6.289 -8.295 1.00 0.00 C ATOM 1700 O HIS A1026 0.996 5.158 -8.513 1.00 0.00 O ATOM 1701 CB HIS A1026 0.592 8.126 -9.789 1.00 0.00 C ATOM 1702 CG HIS A1026 0.132 7.203 -10.879 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -1.183 7.105 -11.277 1.00 0.00 N ATOM 1704 CD2 HIS A1026 0.821 6.327 -11.650 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -1.286 6.206 -12.237 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -0.084 5.720 -12.485 1.00 0.00 N ATOM 0 H HIS A1026 1.204 9.370 -7.733 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.519 7.191 -8.218 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.013 9.032 -9.812 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.621 8.425 -9.987 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.884 6.141 -11.614 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -2.199 5.917 -12.736 1.00 0.00 H new ATOM 0 HE2 HIS A1026 0.136 5.010 -13.183 1.00 0.00 H new ATOM 1715 N ALA A1027 2.687 6.531 -7.962 1.00 0.00 N ATOM 1716 CA ALA A1027 3.657 5.455 -7.824 1.00 0.00 C ATOM 1717 C ALA A1027 3.385 4.619 -6.577 1.00 0.00 C ATOM 1718 O ALA A1027 3.441 3.392 -6.632 1.00 0.00 O ATOM 1719 CB ALA A1027 5.067 6.015 -7.797 1.00 0.00 C ATOM 0 H ALA A1027 3.061 7.463 -7.783 1.00 0.00 H new ATOM 0 HA ALA A1027 3.558 4.800 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.781 5.198 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.263 6.553 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.171 6.697 -6.953 1.00 0.00 H new ATOM 1725 N LEU A1028 3.067 5.276 -5.462 1.00 0.00 N ATOM 1726 CA LEU A1028 2.749 4.549 -4.235 1.00 0.00 C ATOM 1727 C LEU A1028 1.396 3.842 -4.372 1.00 0.00 C ATOM 1728 O LEU A1028 1.167 2.783 -3.790 1.00 0.00 O ATOM 1729 CB LEU A1028 2.822 5.466 -2.985 1.00 0.00 C ATOM 1730 CG LEU A1028 1.663 5.362 -1.980 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.090 5.897 -0.630 1.00 0.00 C ATOM 1732 CD2 LEU A1028 0.439 6.136 -2.459 1.00 0.00 C ATOM 0 H LEU A1028 3.023 6.292 -5.383 1.00 0.00 H new ATOM 0 HA LEU A1028 3.507 3.780 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.750 5.247 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A1028 2.885 6.500 -3.325 1.00 0.00 H new ATOM 0 HG LEU A1028 1.398 4.308 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.260 5.817 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.935 5.317 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.383 6.942 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.361 6.041 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.698 7.188 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A1028 0.105 5.733 -3.415 1.00 0.00 H new ATOM 1744 N ALA A1029 0.500 4.425 -5.152 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.732 3.740 -5.514 1.00 0.00 C ATOM 1746 C ALA A1029 -0.411 2.397 -6.167 1.00 0.00 C ATOM 1747 O ALA A1029 -1.080 1.397 -5.912 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.573 4.602 -6.443 1.00 0.00 C ATOM 0 H ALA A1029 0.600 5.361 -5.544 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.310 3.558 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.489 4.071 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -1.824 5.538 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.009 4.816 -7.351 1.00 0.00 H new ATOM 1754 N VAL A1030 0.619 2.384 -7.012 1.00 0.00 N ATOM 1755 CA VAL A1030 1.096 1.153 -7.630 1.00 0.00 C ATOM 1756 C VAL A1030 1.708 0.198 -6.607 1.00 0.00 C ATOM 1757 O VAL A1030 1.571 -1.017 -6.746 1.00 0.00 O ATOM 1758 CB VAL A1030 2.124 1.445 -8.751 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.633 0.155 -9.382 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.517 2.348 -9.815 1.00 0.00 C ATOM 0 H VAL A1030 1.140 3.218 -7.284 1.00 0.00 H new ATOM 0 HA VAL A1030 0.223 0.670 -8.068 1.00 0.00 H new ATOM 0 HB VAL A1030 2.972 1.959 -8.298 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.353 0.392 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.115 -0.457 -8.620 1.00 0.00 H new ATOM 0 HG13 VAL A1030 1.796 -0.394 -9.813 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.256 2.541 -10.593 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.647 1.859 -10.254 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.213 3.291 -9.361 1.00 0.00 H new ATOM 1770 N ASP A1031 2.352 0.725 -5.568 1.00 0.00 N ATOM 1771 CA ASP A1031 3.005 -0.149 -4.596 1.00 0.00 C ATOM 1772 C ASP A1031 1.964 -0.884 -3.764 1.00 0.00 C ATOM 1773 O ASP A1031 2.086 -2.094 -3.531 1.00 0.00 O ATOM 1774 CB ASP A1031 4.036 0.591 -3.720 1.00 0.00 C ATOM 1775 CG ASP A1031 3.474 1.456 -2.588 1.00 0.00 C ATOM 1776 OD1 ASP A1031 2.708 0.946 -1.748 1.00 0.00 O ATOM 1777 OD2 ASP A1031 3.862 2.632 -2.502 1.00 0.00 O ATOM 0 H ASP A1031 2.435 1.724 -5.380 1.00 0.00 H new ATOM 0 HA ASP A1031 3.579 -0.888 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.707 -0.149 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.640 1.226 -4.367 1.00 0.00 H new ATOM 1782 N ALA A1032 0.918 -0.170 -3.359 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.229 -0.792 -2.729 1.00 0.00 C ATOM 1784 C ALA A1032 -0.881 -1.772 -3.701 1.00 0.00 C ATOM 1785 O ALA A1032 -1.070 -2.940 -3.383 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.228 0.271 -2.299 1.00 0.00 C ATOM 0 H ALA A1032 0.847 0.843 -3.459 1.00 0.00 H new ATOM 0 HA ALA A1032 0.099 -1.337 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.087 -0.206 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.754 0.950 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.560 0.833 -3.172 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.175 -1.296 -4.908 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.890 -2.080 -5.918 1.00 0.00 C ATOM 1794 C LYS A1033 -1.154 -3.369 -6.294 1.00 0.00 C ATOM 1795 O LYS A1033 -1.780 -4.415 -6.486 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.105 -1.208 -7.158 1.00 0.00 C ATOM 1797 CG LYS A1033 -2.661 -1.939 -8.370 1.00 0.00 C ATOM 1798 CD LYS A1033 -2.847 -0.990 -9.541 1.00 0.00 C ATOM 1799 CE LYS A1033 -3.192 -1.731 -10.822 1.00 0.00 C ATOM 1800 NZ LYS A1033 -4.463 -2.496 -10.714 1.00 0.00 N ATOM 0 H LYS A1033 -0.925 -0.356 -5.216 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.847 -2.384 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -2.785 -0.396 -6.899 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -1.154 -0.752 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -1.985 -2.745 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.616 -2.399 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -3.639 -0.278 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -1.934 -0.414 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -3.271 -1.016 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -2.381 -2.415 -11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -4.679 -2.941 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -4.365 -3.232 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -5.235 -1.851 -10.452 1.00 0.00 H new ATOM 1814 N ASN A1034 0.166 -3.294 -6.404 1.00 0.00 N ATOM 1815 CA ASN A1034 0.967 -4.451 -6.796 1.00 0.00 C ATOM 1816 C ASN A1034 0.946 -5.506 -5.695 1.00 0.00 C ATOM 1817 O ASN A1034 0.607 -6.654 -5.930 1.00 0.00 O ATOM 1818 CB ASN A1034 2.404 -4.023 -7.099 1.00 0.00 C ATOM 1819 CG ASN A1034 3.233 -5.137 -7.712 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.260 -5.308 -8.929 1.00 0.00 O ATOM 1821 ND2 ASN A1034 3.925 -5.894 -6.874 1.00 0.00 N ATOM 0 H ASN A1034 0.706 -2.447 -6.228 1.00 0.00 H new ATOM 0 HA ASN A1034 0.537 -4.884 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.389 -3.171 -7.779 1.00 0.00 H new ATOM 0 HB3 ASN A1034 2.880 -3.687 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A1034 4.507 -6.651 -7.232 1.00 0.00 H new ATOM 0 HD22 ASN A1034 3.876 -5.720 -5.870 1.00 0.00 H new ATOM 1828 N LEU A1035 1.205 -5.068 -4.478 1.00 0.00 N ATOM 1829 CA LEU A1035 1.271 -5.957 -3.326 1.00 0.00 C ATOM 1830 C LEU A1035 -0.139 -6.497 -3.069 1.00 0.00 C ATOM 1831 O LEU A1035 -0.308 -7.650 -2.729 1.00 0.00 O ATOM 1832 CB LEU A1035 1.832 -5.165 -2.127 1.00 0.00 C ATOM 1833 CG LEU A1035 2.024 -5.912 -0.799 1.00 0.00 C ATOM 1834 CD1 LEU A1035 0.711 -6.110 -0.073 1.00 0.00 C ATOM 1835 CD2 LEU A1035 2.708 -7.239 -1.022 1.00 0.00 C ATOM 0 H LEU A1035 1.376 -4.087 -4.256 1.00 0.00 H new ATOM 0 HA LEU A1035 1.934 -6.806 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.797 -4.752 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A1035 1.167 -4.321 -1.943 1.00 0.00 H new ATOM 0 HG LEU A1035 2.662 -5.293 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.889 -6.642 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A1035 0.264 -5.139 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.034 -6.691 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A1035 2.833 -7.749 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.101 -7.855 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A1035 3.685 -7.073 -1.475 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.141 -5.649 -3.288 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.556 -6.027 -3.180 1.00 0.00 C ATOM 1849 C LEU A1036 -2.860 -7.309 -3.947 1.00 0.00 C ATOM 1850 O LEU A1036 -3.544 -8.197 -3.445 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.428 -4.870 -3.702 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.926 -5.155 -3.878 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -5.733 -3.903 -3.567 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -5.218 -5.611 -5.302 1.00 0.00 C ATOM 0 H LEU A1036 -0.998 -4.673 -3.547 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.783 -6.219 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -3.321 -4.029 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.028 -4.551 -4.664 1.00 0.00 H new ATOM 0 HG LEU A1036 -5.210 -5.950 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -6.795 -4.114 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -5.545 -3.595 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.438 -3.102 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -6.285 -5.809 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -4.922 -4.830 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.657 -6.521 -5.515 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.327 -7.399 -5.154 1.00 0.00 N ATOM 1867 CA ASP A1037 -2.599 -8.535 -6.024 1.00 0.00 C ATOM 1868 C ASP A1037 -1.597 -9.651 -5.785 1.00 0.00 C ATOM 1869 O ASP A1037 -1.947 -10.824 -5.768 1.00 0.00 O ATOM 1870 CB ASP A1037 -2.569 -8.115 -7.497 1.00 0.00 C ATOM 1871 CG ASP A1037 -2.702 -9.299 -8.439 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -3.817 -9.851 -8.559 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -1.694 -9.675 -9.071 1.00 0.00 O ATOM 0 H ASP A1037 -1.703 -6.699 -5.556 1.00 0.00 H new ATOM 0 HA ASP A1037 -3.597 -8.903 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -3.378 -7.410 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.635 -7.592 -7.704 1.00 0.00 H new ATOM 1878 N VAL A1038 -0.346 -9.277 -5.623 1.00 0.00 N ATOM 1879 CA VAL A1038 0.717 -10.250 -5.442 1.00 0.00 C ATOM 1880 C VAL A1038 0.702 -10.890 -4.030 1.00 0.00 C ATOM 1881 O VAL A1038 1.108 -12.032 -3.872 1.00 0.00 O ATOM 1882 CB VAL A1038 2.090 -9.630 -5.787 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.093 -10.730 -6.005 1.00 0.00 C ATOM 1884 CG2 VAL A1038 2.004 -8.801 -7.056 1.00 0.00 C ATOM 0 H VAL A1038 -0.037 -8.305 -5.612 1.00 0.00 H new ATOM 0 HA VAL A1038 0.535 -11.067 -6.140 1.00 0.00 H new ATOM 0 HB VAL A1038 2.394 -8.989 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A1038 4.062 -10.295 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A1038 3.181 -11.327 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A1038 2.763 -11.365 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A1038 2.982 -8.375 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A1038 1.687 -9.435 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A1038 1.281 -7.997 -6.917 1.00 0.00 H new ATOM 1894 N ILE A1039 0.228 -10.154 -3.029 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.048 -10.697 -1.674 1.00 0.00 C ATOM 1896 C ILE A1039 -1.407 -11.407 -1.652 1.00 0.00 C ATOM 1897 O ILE A1039 -1.633 -12.329 -0.864 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.043 -9.589 -0.586 1.00 0.00 C ATOM 1899 CG1 ILE A1039 0.497 -10.123 0.732 1.00 0.00 C ATOM 1900 CG2 ILE A1039 -1.439 -9.032 -0.348 1.00 0.00 C ATOM 1901 CD1 ILE A1039 0.264 -9.173 1.886 1.00 0.00 C ATOM 0 H ILE A1039 0.019 -9.160 -3.120 1.00 0.00 H new ATOM 0 HA ILE A1039 0.751 -11.403 -1.448 1.00 0.00 H new ATOM 0 HB ILE A1039 0.603 -8.792 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.024 -11.080 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.566 -10.312 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.396 -8.259 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.822 -8.603 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -2.100 -9.834 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A1039 0.669 -9.605 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A1039 0.760 -8.224 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.806 -9.004 2.008 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.341 -10.931 -2.468 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.496 -11.747 -2.812 1.00 0.00 C ATOM 1915 C ASP A1040 -2.970 -13.078 -3.322 1.00 0.00 C ATOM 1916 O ASP A1040 -3.476 -14.153 -2.985 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.362 -11.053 -3.871 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.516 -11.903 -4.366 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -5.855 -12.918 -3.720 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -6.099 -11.555 -5.416 1.00 0.00 O ATOM 0 H ASP A1040 -2.322 -10.005 -2.895 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.132 -11.898 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.757 -10.126 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.734 -10.779 -4.719 1.00 0.00 H new ATOM 1925 N GLN A1041 -1.886 -12.989 -4.076 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.191 -14.166 -4.533 1.00 0.00 C ATOM 1927 C GLN A1041 -0.370 -14.777 -3.415 1.00 0.00 C ATOM 1928 O GLN A1041 -0.093 -15.949 -3.481 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.287 -13.886 -5.724 1.00 0.00 C ATOM 1930 CG GLN A1041 -1.031 -13.604 -7.018 1.00 0.00 C ATOM 1931 CD GLN A1041 -0.100 -13.159 -8.127 1.00 0.00 C ATOM 1932 OE1 GLN A1041 0.455 -13.978 -8.856 1.00 0.00 O ATOM 1933 NE2 GLN A1041 0.058 -11.855 -8.278 1.00 0.00 N ATOM 0 H GLN A1041 -1.473 -12.108 -4.381 1.00 0.00 H new ATOM 0 HA GLN A1041 -1.960 -14.869 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.349 -13.032 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.371 -14.742 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.564 -14.501 -7.332 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.781 -12.832 -6.843 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.420 -11.207 -7.652 1.00 0.00 H new ATOM 0 HE22 GLN A1041 0.658 -11.497 -9.021 1.00 0.00 H new ATOM 1942 N ALA A1042 0.054 -14.006 -2.405 1.00 0.00 N ATOM 1943 CA ALA A1042 0.622 -14.614 -1.220 1.00 0.00 C ATOM 1944 C ALA A1042 -0.318 -15.673 -0.664 1.00 0.00 C ATOM 1945 O ALA A1042 0.049 -16.826 -0.514 1.00 0.00 O ATOM 1946 CB ALA A1042 0.882 -13.576 -0.143 1.00 0.00 C ATOM 0 H ALA A1042 0.012 -12.987 -2.393 1.00 0.00 H new ATOM 0 HA ALA A1042 1.567 -15.073 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A1042 1.308 -14.061 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.580 -12.828 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.056 -13.092 0.130 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.541 -15.279 -0.374 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.526 -16.224 0.130 1.00 0.00 C ATOM 1954 C ARG A1043 -2.789 -17.353 -0.878 1.00 0.00 C ATOM 1955 O ARG A1043 -3.111 -18.472 -0.489 1.00 0.00 O ATOM 1956 CB ARG A1043 -3.822 -15.512 0.489 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.421 -15.994 1.798 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.549 -15.620 2.986 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.182 -15.965 4.263 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.550 -16.009 5.441 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.243 -15.784 5.522 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.233 -16.283 6.544 1.00 0.00 N ATOM 0 H ARG A1043 -1.878 -14.322 -0.476 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.118 -16.675 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -3.635 -14.440 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.546 -15.661 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.414 -15.562 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.546 -17.076 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.590 -16.132 2.907 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.342 -14.550 2.961 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.177 -16.188 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.708 -15.574 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -1.774 -15.821 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.236 -16.459 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.755 -16.318 7.444 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.643 -17.055 -2.167 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.775 -18.070 -3.214 1.00 0.00 C ATOM 1978 C LEU A1044 -1.497 -18.915 -3.303 1.00 0.00 C ATOM 1979 O LEU A1044 -1.521 -20.056 -3.750 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.072 -17.411 -4.564 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.327 -18.375 -5.726 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.578 -19.203 -5.472 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.453 -17.609 -7.031 1.00 0.00 C ATOM 0 H LEU A1044 -2.433 -16.119 -2.514 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.608 -18.725 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -3.944 -16.768 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.233 -16.767 -4.827 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.477 -19.054 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.741 -19.881 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.452 -19.781 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.438 -18.541 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.634 -18.308 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.285 -16.908 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.531 -17.060 -7.221 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.390 -18.324 -2.878 1.00 0.00 N ATOM 1996 CA LYS A1045 0.904 -18.990 -2.788 1.00 0.00 C ATOM 1997 C LYS A1045 0.815 -20.136 -1.804 1.00 0.00 C ATOM 1998 O LYS A1045 1.428 -21.188 -1.975 1.00 0.00 O ATOM 1999 CB LYS A1045 1.959 -17.987 -2.314 1.00 0.00 C ATOM 2000 CG LYS A1045 2.957 -17.558 -3.371 1.00 0.00 C ATOM 2001 CD LYS A1045 2.293 -17.138 -4.669 1.00 0.00 C ATOM 2002 CE LYS A1045 3.319 -16.886 -5.758 1.00 0.00 C ATOM 2003 NZ LYS A1045 4.070 -18.123 -6.109 1.00 0.00 N ATOM 0 H LYS A1045 -0.364 -17.349 -2.580 1.00 0.00 H new ATOM 0 HA LYS A1045 1.184 -19.377 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.451 -17.100 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.504 -18.424 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A1045 3.552 -16.729 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.645 -18.380 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A1045 1.599 -17.914 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.706 -16.235 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A1045 2.819 -16.501 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A1045 4.018 -16.118 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 4.701 -17.930 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 4.635 -18.430 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 3.399 -18.875 -6.368 1.00 0.00 H new ATOM 2017 N MET A1046 0.039 -19.911 -0.767 1.00 0.00 N ATOM 2018 CA MET A1046 -0.214 -20.941 0.226 1.00 0.00 C ATOM 2019 C MET A1046 -1.073 -22.035 -0.394 1.00 0.00 C ATOM 2020 O MET A1046 -0.818 -23.228 -0.213 1.00 0.00 O ATOM 2021 CB MET A1046 -0.891 -20.334 1.452 1.00 0.00 C ATOM 2022 CG MET A1046 -1.076 -21.305 2.605 1.00 0.00 C ATOM 2023 SD MET A1046 -2.500 -22.394 2.399 1.00 0.00 S ATOM 2024 CE MET A1046 -2.367 -23.405 3.873 1.00 0.00 C ATOM 0 H MET A1046 -0.430 -19.024 -0.586 1.00 0.00 H new ATOM 0 HA MET A1046 0.729 -21.380 0.551 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.300 -19.486 1.797 1.00 0.00 H new ATOM 0 HB3 MET A1046 -1.866 -19.945 1.159 1.00 0.00 H new ATOM 0 HG2 MET A1046 -0.176 -21.911 2.709 1.00 0.00 H new ATOM 0 HG3 MET A1046 -1.189 -20.741 3.531 1.00 0.00 H new ATOM 0 HE1 MET A1046 -3.180 -24.131 3.891 1.00 0.00 H new ATOM 0 HE2 MET A1046 -1.412 -23.930 3.869 1.00 0.00 H new ATOM 0 HE3 MET A1046 -2.428 -22.770 4.757 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.072 -21.611 -1.159 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.908 -22.530 -1.918 1.00 0.00 C ATOM 2036 C ILE A1047 -2.050 -23.307 -2.908 1.00 0.00 C ATOM 2037 O ILE A1047 -2.318 -24.466 -3.211 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.014 -21.771 -2.681 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.870 -20.972 -1.701 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.876 -22.727 -3.491 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.562 -21.820 -0.651 1.00 0.00 C ATOM 0 H ILE A1047 -2.323 -20.629 -1.270 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.381 -23.219 -1.218 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.539 -21.081 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.240 -20.236 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.624 -20.419 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.647 -22.164 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.254 -23.255 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.346 -23.448 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.150 -21.178 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.220 -22.539 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.815 -22.353 -0.063 1.00 0.00 H new ATOM 2053 N SER A1048 -1.001 -22.652 -3.383 1.00 0.00 N ATOM 2054 CA SER A1048 -0.052 -23.252 -4.305 1.00 0.00 C ATOM 2055 C SER A1048 0.700 -24.410 -3.646 1.00 0.00 C ATOM 2056 O SER A1048 1.114 -25.354 -4.318 1.00 0.00 O ATOM 2057 CB SER A1048 0.928 -22.179 -4.786 1.00 0.00 C ATOM 2058 OG SER A1048 0.252 -21.155 -5.503 1.00 0.00 O ATOM 0 H SER A1048 -0.785 -21.686 -3.138 1.00 0.00 H new ATOM 0 HA SER A1048 -0.596 -23.658 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.448 -21.747 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.686 -22.634 -5.423 1.00 0.00 H new ATOM 0 HG SER A1048 -0.415 -20.734 -4.921 1.00 0.00 H new ATOM 2064 N GLN A1049 0.860 -24.340 -2.329 1.00 0.00 N ATOM 2065 CA GLN A1049 1.527 -25.401 -1.582 1.00 0.00 C ATOM 2066 C GLN A1049 0.548 -26.537 -1.276 1.00 0.00 C ATOM 2067 O GLN A1049 0.933 -27.703 -1.210 1.00 0.00 O ATOM 2068 CB GLN A1049 2.121 -24.839 -0.287 1.00 0.00 C ATOM 2069 CG GLN A1049 3.020 -25.817 0.454 1.00 0.00 C ATOM 2070 CD GLN A1049 3.630 -25.216 1.705 1.00 0.00 C ATOM 2071 OE1 GLN A1049 4.710 -24.624 1.664 1.00 0.00 O ATOM 2072 NE2 GLN A1049 2.948 -25.373 2.828 1.00 0.00 N ATOM 0 H GLN A1049 0.537 -23.560 -1.756 1.00 0.00 H new ATOM 0 HA GLN A1049 2.337 -25.803 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.693 -23.941 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.308 -24.537 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A1049 2.443 -26.701 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A1049 3.817 -26.148 -0.212 1.00 0.00 H new ATOM 0 HE21 GLN A1049 2.057 -25.870 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A1049 3.313 -24.997 3.703 1.00 0.00 H new