USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1101 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: A1041 GLN : amide:sc= 0.623 K(o=1.1,f=-5.7!) USER MOD Set 1.2: A1045 LYS NZ :NH3+ -158:sc= 0.436 (180deg=-0.0815) USER MOD Set 2.1: A 928 ASN :FLIP amide:sc= -1.63 F(o=-6.1!,f=-4.8) USER MOD Set 2.2: A 968 THR OG1 : rot -127:sc= -3.22! USER MOD Set 3.1: A 951 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A1014 GLN : amide:sc= -2.32 K(o=-2.3,f=-3.1!) USER MOD Set 4.1: A 939 MET CE :methyl 158:sc= -0.145 (180deg=0) USER MOD Set 4.2: A1002 MET CE :methyl -159:sc= -1.89 (180deg=-4.56!) USER MOD Set 4.3: A1021 MET CE :methyl -148:sc= -0.891 (180deg=-1.56) USER MOD Single : A 921 SER OG : rot -49:sc= 0.22 USER MOD Single : A 922 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.41) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= -0.105 (180deg=-0.105) USER MOD Single : A 940 SER OG : rot 67:sc= 0.894 USER MOD Single : A 941 SER OG : rot 68:sc= 1.01 USER MOD Single : A 942 LYS NZ :NH3+ 166:sc= -0.0204 (180deg=-0.201) USER MOD Single : A 944 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.3) USER MOD Single : A 954 MET CE :methyl 158:sc= -8.39! (180deg=-11.9!) USER MOD Single : A 956 LYS NZ :NH3+ 144:sc= 1.08 (180deg=0.608) USER MOD Single : A 964 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 972 SER OG : rot 25:sc= -0.487! USER MOD Single : A 979 SER OG : rot -9:sc= 0.822 USER MOD Single : A 980 THR OG1 : rot -41:sc= 0.0546 USER MOD Single : A 981 HIS : no HE2:sc= 1.01 K(o=1,f=-4.1!) USER MOD Single : A 986 MET CE :methyl 133:sc= -0.483 (180deg=-1.18) USER MOD Single : A 988 GLN :FLIP amide:sc= -1.66 F(o=-5.8!,f=-1.7) USER MOD Single : A 989 LYS NZ :NH3+ -164:sc= -0.0369 (180deg=-0.292) USER MOD Single : A 992 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.8!) USER MOD Single : A 993 SER OG : rot 15:sc= 1.2 USER MOD Single : A1000 ASN : amide:sc= 0.286 K(o=0.29,f=-0.25) USER MOD Single : A1001 LYS NZ :NH3+ 172:sc= -0.475 (180deg=-0.482) USER MOD Single : A1003 LYS NZ :NH3+ 164:sc= -0.0162 (180deg=-0.259) USER MOD Single : A1006 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.58) USER MOD Single : A1007 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 177:sc= -0.888 (180deg=-0.933) USER MOD Single : A1011 THR OG1 : rot 28:sc= 0.85 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0.465 K(o=0.46,f=-0.047) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0352) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.406 K(o=-0.41,f=-3.7!) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 62:sc= 1.23 USER MOD Single : A1049 GLN : amide:sc= -1.51! C(o=-1.5!,f=-6.6!) USER MOD Single : A1050 SER OG : rot -82:sc= -0.11 USER MOD Single : A1053 HIS : no HD1:sc= -0.061 X(o=-0.061,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.861 -20.142 -1.504 1.00 0.00 N ATOM 2 CA ARG A 920 -8.701 -18.942 -0.704 1.00 0.00 C ATOM 3 C ARG A 920 -9.716 -17.868 -1.089 1.00 0.00 C ATOM 4 O ARG A 920 -10.187 -17.827 -2.223 1.00 0.00 O ATOM 5 CB ARG A 920 -7.282 -18.421 -0.858 1.00 0.00 C ATOM 6 CG ARG A 920 -6.853 -17.548 0.299 1.00 0.00 C ATOM 7 CD ARG A 920 -6.465 -18.360 1.536 1.00 0.00 C ATOM 8 NE ARG A 920 -7.309 -19.539 1.750 1.00 0.00 N ATOM 9 CZ ARG A 920 -8.133 -19.693 2.790 1.00 0.00 C ATOM 10 NH1 ARG A 920 -8.373 -18.683 3.614 1.00 0.00 N ATOM 11 NH2 ARG A 920 -8.764 -20.845 2.969 1.00 0.00 N ATOM 0 HA ARG A 920 -8.884 -19.195 0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.597 -19.264 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -7.207 -17.852 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -6.006 -16.934 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.664 -16.867 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.427 -18.679 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -6.522 -17.718 2.415 1.00 0.00 H new ATOM 0 HE ARG A 920 -7.264 -20.290 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -7.927 -17.779 3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -9.004 -18.809 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -8.620 -21.613 2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -9.393 -20.964 3.763 1.00 0.00 H new ATOM 25 N SER A 921 -10.033 -17.001 -0.134 1.00 0.00 N ATOM 26 CA SER A 921 -11.051 -15.975 -0.323 1.00 0.00 C ATOM 27 C SER A 921 -10.409 -14.587 -0.314 1.00 0.00 C ATOM 28 O SER A 921 -11.034 -13.600 0.081 1.00 0.00 O ATOM 29 CB SER A 921 -12.094 -16.099 0.793 1.00 0.00 C ATOM 30 OG SER A 921 -13.260 -15.343 0.512 1.00 0.00 O ATOM 0 H SER A 921 -9.595 -16.989 0.787 1.00 0.00 H new ATOM 0 HA SER A 921 -11.540 -16.112 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 921 -12.363 -17.147 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 921 -11.660 -15.762 1.734 1.00 0.00 H new ATOM 0 HG SER A 921 -13.005 -14.434 0.249 1.00 0.00 H new ATOM 36 N ASN A 922 -9.160 -14.527 -0.792 1.00 0.00 N ATOM 37 CA ASN A 922 -8.369 -13.285 -0.827 1.00 0.00 C ATOM 38 C ASN A 922 -8.373 -12.635 0.518 1.00 0.00 C ATOM 39 O ASN A 922 -8.707 -11.457 0.647 1.00 0.00 O ATOM 40 CB ASN A 922 -8.889 -12.290 -1.855 1.00 0.00 C ATOM 41 CG ASN A 922 -9.734 -12.952 -2.919 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.965 -12.925 -2.871 1.00 0.00 O ATOM 43 ND2 ASN A 922 -9.077 -13.581 -3.869 1.00 0.00 N ATOM 0 H ASN A 922 -8.667 -15.337 -1.166 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.356 -13.567 -1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.479 -11.525 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -8.046 -11.784 -2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.587 -14.071 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -8.057 -13.578 -3.871 1.00 0.00 H new ATOM 50 N ASP A 923 -7.931 -13.427 1.476 1.00 0.00 N ATOM 51 CA ASP A 923 -7.916 -13.112 2.894 1.00 0.00 C ATOM 52 C ASP A 923 -7.354 -11.730 3.188 1.00 0.00 C ATOM 53 O ASP A 923 -7.125 -10.925 2.296 1.00 0.00 O ATOM 54 CB ASP A 923 -7.117 -14.190 3.629 1.00 0.00 C ATOM 55 CG ASP A 923 -7.875 -15.493 3.735 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.134 -16.119 2.685 1.00 0.00 O ATOM 57 OD2 ASP A 923 -8.214 -15.902 4.861 1.00 0.00 O ATOM 0 H ASP A 923 -7.554 -14.354 1.278 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.947 -13.097 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -6.176 -14.361 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.867 -13.835 4.629 1.00 0.00 H new ATOM 62 N LYS A 924 -7.187 -11.448 4.461 1.00 0.00 N ATOM 63 CA LYS A 924 -6.678 -10.157 4.943 1.00 0.00 C ATOM 64 C LYS A 924 -5.527 -9.612 4.067 1.00 0.00 C ATOM 65 O LYS A 924 -5.213 -8.424 4.118 1.00 0.00 O ATOM 66 CB LYS A 924 -6.217 -10.298 6.398 1.00 0.00 C ATOM 67 CG LYS A 924 -6.732 -9.203 7.329 1.00 0.00 C ATOM 68 CD LYS A 924 -6.211 -7.834 6.932 1.00 0.00 C ATOM 69 CE LYS A 924 -6.558 -6.767 7.957 1.00 0.00 C ATOM 70 NZ LYS A 924 -8.015 -6.463 7.989 1.00 0.00 N ATOM 0 H LYS A 924 -7.400 -12.108 5.209 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.493 -9.436 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -6.544 -11.266 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.127 -10.297 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.822 -9.196 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.429 -9.424 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.129 -7.880 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -6.628 -7.555 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -6.237 -7.098 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.004 -5.856 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.201 -5.730 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.319 -6.121 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -8.544 -7.325 8.231 1.00 0.00 H new ATOM 84 N VAL A 925 -4.919 -10.482 3.262 1.00 0.00 N ATOM 85 CA VAL A 925 -3.912 -10.079 2.301 1.00 0.00 C ATOM 86 C VAL A 925 -4.488 -9.143 1.233 1.00 0.00 C ATOM 87 O VAL A 925 -3.993 -8.031 1.076 1.00 0.00 O ATOM 88 CB VAL A 925 -3.266 -11.303 1.618 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.213 -11.925 2.524 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.318 -12.336 1.253 1.00 0.00 C ATOM 0 H VAL A 925 -5.115 -11.483 3.263 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.147 -9.539 2.859 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.784 -10.963 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.768 -12.787 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.438 -11.190 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -2.678 -12.245 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.839 -13.189 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.830 -12.668 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.041 -11.893 0.568 1.00 0.00 H new ATOM 100 N TYR A 926 -5.576 -9.531 0.554 1.00 0.00 N ATOM 101 CA TYR A 926 -6.127 -8.669 -0.485 1.00 0.00 C ATOM 102 C TYR A 926 -6.906 -7.548 0.192 1.00 0.00 C ATOM 103 O TYR A 926 -6.997 -6.430 -0.310 1.00 0.00 O ATOM 104 CB TYR A 926 -7.033 -9.468 -1.427 1.00 0.00 C ATOM 105 CG TYR A 926 -7.826 -8.607 -2.382 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.199 -7.916 -3.411 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.199 -8.468 -2.238 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.921 -7.111 -4.272 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.929 -7.663 -3.093 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.286 -6.988 -4.109 1.00 0.00 C ATOM 111 OH TYR A 926 -10.008 -6.182 -4.960 1.00 0.00 O ATOM 0 H TYR A 926 -6.075 -10.408 0.702 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.321 -8.250 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.422 -10.164 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.723 -10.066 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.131 -8.009 -3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.706 -8.997 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.420 -6.581 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -10.997 -7.563 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.955 -6.207 -4.709 1.00 0.00 H new ATOM 121 N GLU A 927 -7.448 -7.874 1.360 1.00 0.00 N ATOM 122 CA GLU A 927 -8.245 -6.944 2.144 1.00 0.00 C ATOM 123 C GLU A 927 -7.450 -5.708 2.560 1.00 0.00 C ATOM 124 O GLU A 927 -7.798 -4.581 2.205 1.00 0.00 O ATOM 125 CB GLU A 927 -8.764 -7.644 3.399 1.00 0.00 C ATOM 126 CG GLU A 927 -9.801 -8.716 3.136 1.00 0.00 C ATOM 127 CD GLU A 927 -10.347 -9.300 4.422 1.00 0.00 C ATOM 128 OE1 GLU A 927 -11.054 -8.575 5.153 1.00 0.00 O ATOM 129 OE2 GLU A 927 -10.055 -10.475 4.719 1.00 0.00 O ATOM 0 H GLU A 927 -7.345 -8.794 1.789 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.072 -6.617 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -7.921 -8.093 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.194 -6.896 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.619 -8.294 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.358 -9.511 2.536 1.00 0.00 H new ATOM 136 N ASN A 928 -6.384 -5.931 3.316 1.00 0.00 N ATOM 137 CA ASN A 928 -5.640 -4.841 3.943 1.00 0.00 C ATOM 138 C ASN A 928 -4.928 -3.995 2.907 1.00 0.00 C ATOM 139 O ASN A 928 -4.898 -2.773 3.005 1.00 0.00 O ATOM 140 CB ASN A 928 -4.614 -5.405 4.911 1.00 0.00 C ATOM 141 CG ASN A 928 -4.300 -4.478 6.064 1.00 0.00 C ATOM 142 OD1 ASN A 928 -3.872 -5.066 7.167 1.00 0.00 O flip ATOM 143 ND2 ASN A 928 -4.427 -3.260 5.966 1.00 0.00 N flip ATOM 0 H ASN A 928 -6.012 -6.860 3.512 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.354 -4.214 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -4.981 -6.352 5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -3.694 -5.621 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -4.761 -2.851 5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -4.198 -2.658 6.757 1.00 0.00 H new ATOM 150 N VAL A 929 -4.342 -4.657 1.923 1.00 0.00 N ATOM 151 CA VAL A 929 -3.627 -3.959 0.871 1.00 0.00 C ATOM 152 C VAL A 929 -4.555 -3.000 0.108 1.00 0.00 C ATOM 153 O VAL A 929 -4.154 -1.895 -0.266 1.00 0.00 O ATOM 154 CB VAL A 929 -2.957 -4.950 -0.102 1.00 0.00 C ATOM 155 CG1 VAL A 929 -3.996 -5.766 -0.842 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.044 -4.208 -1.061 1.00 0.00 C ATOM 0 H VAL A 929 -4.348 -5.673 1.832 1.00 0.00 H new ATOM 0 HA VAL A 929 -2.844 -3.368 1.347 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.347 -5.646 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.499 -6.458 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -4.594 -6.329 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.644 -5.100 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.577 -4.919 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.627 -3.486 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.272 -3.685 -0.497 1.00 0.00 H new ATOM 166 N THR A 930 -5.796 -3.414 -0.107 1.00 0.00 N ATOM 167 CA THR A 930 -6.791 -2.536 -0.698 1.00 0.00 C ATOM 168 C THR A 930 -7.147 -1.411 0.280 1.00 0.00 C ATOM 169 O THR A 930 -7.462 -0.290 -0.126 1.00 0.00 O ATOM 170 CB THR A 930 -8.050 -3.328 -1.098 1.00 0.00 C ATOM 171 OG1 THR A 930 -7.669 -4.444 -1.909 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.020 -2.462 -1.877 1.00 0.00 C ATOM 0 H THR A 930 -6.135 -4.349 0.119 1.00 0.00 H new ATOM 0 HA THR A 930 -6.371 -2.094 -1.601 1.00 0.00 H new ATOM 0 HB THR A 930 -8.543 -3.667 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.368 -5.178 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 930 -9.898 -3.050 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.324 -1.614 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.536 -2.099 -2.784 1.00 0.00 H new ATOM 180 N GLY A 931 -7.071 -1.727 1.570 1.00 0.00 N ATOM 181 CA GLY A 931 -7.217 -0.721 2.611 1.00 0.00 C ATOM 182 C GLY A 931 -6.183 0.388 2.486 1.00 0.00 C ATOM 183 O GLY A 931 -6.461 1.540 2.813 1.00 0.00 O ATOM 0 H GLY A 931 -6.909 -2.673 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.217 -0.291 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.123 -1.195 3.588 1.00 0.00 H new ATOM 187 N LEU A 932 -4.994 0.036 1.996 1.00 0.00 N ATOM 188 CA LEU A 932 -3.944 1.018 1.729 1.00 0.00 C ATOM 189 C LEU A 932 -4.442 2.003 0.681 1.00 0.00 C ATOM 190 O LEU A 932 -4.286 3.217 0.821 1.00 0.00 O ATOM 191 CB LEU A 932 -2.674 0.302 1.236 1.00 0.00 C ATOM 192 CG LEU A 932 -1.387 1.148 1.089 1.00 0.00 C ATOM 193 CD1 LEU A 932 -1.435 2.060 -0.132 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.138 1.970 2.336 1.00 0.00 C ATOM 0 H LEU A 932 -4.734 -0.925 1.775 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.701 1.560 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.461 -0.517 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.895 -0.145 0.267 1.00 0.00 H new ATOM 0 HG LEU A 932 -0.563 0.448 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.511 2.634 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.548 1.457 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -2.280 2.742 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.228 2.556 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -1.981 2.640 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -1.025 1.306 3.193 1.00 0.00 H new ATOM 206 N VAL A 933 -5.051 1.465 -0.369 1.00 0.00 N ATOM 207 CA VAL A 933 -5.644 2.288 -1.415 1.00 0.00 C ATOM 208 C VAL A 933 -6.711 3.210 -0.821 1.00 0.00 C ATOM 209 O VAL A 933 -6.785 4.388 -1.147 1.00 0.00 O ATOM 210 CB VAL A 933 -6.276 1.421 -2.528 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.816 2.292 -3.653 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.266 0.420 -3.067 1.00 0.00 C ATOM 0 H VAL A 933 -5.147 0.461 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 933 -4.846 2.885 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.110 0.869 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.256 1.659 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.577 2.965 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.003 2.876 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.731 -0.180 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.410 0.953 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.933 -0.232 -2.259 1.00 0.00 H new ATOM 222 N LYS A 934 -7.520 2.661 0.069 1.00 0.00 N ATOM 223 CA LYS A 934 -8.573 3.423 0.733 1.00 0.00 C ATOM 224 C LYS A 934 -7.992 4.481 1.658 1.00 0.00 C ATOM 225 O LYS A 934 -8.652 5.468 1.979 1.00 0.00 O ATOM 226 CB LYS A 934 -9.504 2.486 1.505 1.00 0.00 C ATOM 227 CG LYS A 934 -10.081 1.392 0.629 1.00 0.00 C ATOM 228 CD LYS A 934 -10.617 1.970 -0.670 1.00 0.00 C ATOM 229 CE LYS A 934 -10.438 1.003 -1.820 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.411 -0.120 -1.762 1.00 0.00 N ATOM 0 H LYS A 934 -7.470 1.683 0.353 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.151 3.936 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.956 2.034 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.318 3.065 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.313 0.650 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.881 0.877 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.674 2.209 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -10.102 2.904 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.556 1.536 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.424 0.605 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.253 -0.758 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.282 -0.645 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.379 0.257 -1.804 1.00 0.00 H new ATOM 244 N ALA A 935 -6.752 4.283 2.066 1.00 0.00 N ATOM 245 CA ALA A 935 -6.061 5.244 2.902 1.00 0.00 C ATOM 246 C ALA A 935 -5.542 6.406 2.071 1.00 0.00 C ATOM 247 O ALA A 935 -5.460 7.532 2.549 1.00 0.00 O ATOM 248 CB ALA A 935 -4.930 4.579 3.647 1.00 0.00 C ATOM 0 H ALA A 935 -6.200 3.458 1.829 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.771 5.636 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.422 5.315 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.327 3.783 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.222 4.157 2.933 1.00 0.00 H new ATOM 254 N VAL A 936 -5.187 6.145 0.823 1.00 0.00 N ATOM 255 CA VAL A 936 -4.830 7.236 -0.066 1.00 0.00 C ATOM 256 C VAL A 936 -6.106 7.838 -0.654 1.00 0.00 C ATOM 257 O VAL A 936 -6.108 8.944 -1.202 1.00 0.00 O ATOM 258 CB VAL A 936 -3.808 6.815 -1.156 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.386 5.784 -2.109 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.296 8.028 -1.923 1.00 0.00 C ATOM 0 H VAL A 936 -5.139 5.213 0.412 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.315 8.003 0.513 1.00 0.00 H new ATOM 0 HB VAL A 936 -2.966 6.350 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -3.637 5.518 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -4.674 4.893 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.262 6.199 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.582 7.705 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.133 8.533 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.807 8.715 -1.233 1.00 0.00 H new ATOM 270 N ILE A 937 -7.207 7.109 -0.494 1.00 0.00 N ATOM 271 CA ILE A 937 -8.529 7.681 -0.683 1.00 0.00 C ATOM 272 C ILE A 937 -8.778 8.691 0.443 1.00 0.00 C ATOM 273 O ILE A 937 -9.285 9.788 0.210 1.00 0.00 O ATOM 274 CB ILE A 937 -9.640 6.598 -0.693 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.438 5.618 -1.861 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.020 7.235 -0.768 1.00 0.00 C ATOM 277 CD1 ILE A 937 -9.439 6.277 -3.225 1.00 0.00 C ATOM 0 H ILE A 937 -7.206 6.123 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.565 8.172 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.571 6.040 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.492 5.094 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.227 4.866 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -11.781 6.455 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.170 7.882 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.099 7.826 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.291 5.520 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.394 6.777 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.633 7.009 -3.276 1.00 0.00 H new ATOM 289 N GLU A 938 -8.400 8.302 1.667 1.00 0.00 N ATOM 290 CA GLU A 938 -8.374 9.223 2.809 1.00 0.00 C ATOM 291 C GLU A 938 -7.543 10.451 2.477 1.00 0.00 C ATOM 292 O GLU A 938 -7.952 11.576 2.741 1.00 0.00 O ATOM 293 CB GLU A 938 -7.777 8.550 4.048 1.00 0.00 C ATOM 294 CG GLU A 938 -8.564 7.342 4.532 1.00 0.00 C ATOM 295 CD GLU A 938 -9.955 7.699 5.013 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.831 7.986 4.168 1.00 0.00 O ATOM 297 OE2 GLU A 938 -10.182 7.691 6.239 1.00 0.00 O ATOM 0 H GLU A 938 -8.107 7.351 1.892 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.403 9.513 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.756 8.241 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.720 9.281 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.640 6.616 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.017 6.860 5.342 1.00 0.00 H new ATOM 304 N MET A 939 -6.381 10.216 1.881 1.00 0.00 N ATOM 305 CA MET A 939 -5.487 11.288 1.463 1.00 0.00 C ATOM 306 C MET A 939 -6.206 12.231 0.502 1.00 0.00 C ATOM 307 O MET A 939 -6.111 13.451 0.624 1.00 0.00 O ATOM 308 CB MET A 939 -4.226 10.681 0.821 1.00 0.00 C ATOM 309 CG MET A 939 -3.309 11.679 0.129 1.00 0.00 C ATOM 310 SD MET A 939 -3.817 12.041 -1.565 1.00 0.00 S ATOM 311 CE MET A 939 -2.542 13.197 -2.053 1.00 0.00 C ATOM 0 H MET A 939 -6.033 9.280 1.674 1.00 0.00 H new ATOM 0 HA MET A 939 -5.183 11.873 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.657 10.164 1.594 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.533 9.929 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.289 12.605 0.703 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.292 11.287 0.122 1.00 0.00 H new ATOM 0 HE1 MET A 939 -2.467 13.219 -3.140 1.00 0.00 H new ATOM 0 HE2 MET A 939 -2.794 14.192 -1.687 1.00 0.00 H new ATOM 0 HE3 MET A 939 -1.587 12.885 -1.630 1.00 0.00 H new ATOM 321 N SER A 940 -6.966 11.658 -0.417 1.00 0.00 N ATOM 322 CA SER A 940 -7.718 12.441 -1.384 1.00 0.00 C ATOM 323 C SER A 940 -8.860 13.204 -0.707 1.00 0.00 C ATOM 324 O SER A 940 -9.227 14.301 -1.131 1.00 0.00 O ATOM 325 CB SER A 940 -8.264 11.525 -2.480 1.00 0.00 C ATOM 326 OG SER A 940 -7.218 10.777 -3.088 1.00 0.00 O ATOM 0 H SER A 940 -7.079 10.649 -0.514 1.00 0.00 H new ATOM 0 HA SER A 940 -7.047 13.174 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.003 10.845 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 940 -8.776 12.121 -3.235 1.00 0.00 H new ATOM 0 HG SER A 940 -6.851 10.140 -2.439 1.00 0.00 H new ATOM 332 N SER A 941 -9.400 12.641 0.366 1.00 0.00 N ATOM 333 CA SER A 941 -10.519 13.264 1.051 1.00 0.00 C ATOM 334 C SER A 941 -9.981 14.394 1.906 1.00 0.00 C ATOM 335 O SER A 941 -10.515 15.505 1.938 1.00 0.00 O ATOM 336 CB SER A 941 -11.249 12.235 1.915 1.00 0.00 C ATOM 337 OG SER A 941 -11.600 11.088 1.154 1.00 0.00 O ATOM 0 H SER A 941 -9.083 11.762 0.776 1.00 0.00 H new ATOM 0 HA SER A 941 -11.233 13.657 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.614 11.941 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.147 12.683 2.339 1.00 0.00 H new ATOM 0 HG SER A 941 -10.787 10.604 0.899 1.00 0.00 H new ATOM 343 N LYS A 942 -8.879 14.076 2.560 1.00 0.00 N ATOM 344 CA LYS A 942 -8.150 14.995 3.401 1.00 0.00 C ATOM 345 C LYS A 942 -7.746 16.250 2.646 1.00 0.00 C ATOM 346 O LYS A 942 -7.846 17.352 3.170 1.00 0.00 O ATOM 347 CB LYS A 942 -6.913 14.278 3.921 1.00 0.00 C ATOM 348 CG LYS A 942 -6.989 13.909 5.385 1.00 0.00 C ATOM 349 CD LYS A 942 -6.629 15.099 6.237 1.00 0.00 C ATOM 350 CE LYS A 942 -6.858 14.830 7.720 1.00 0.00 C ATOM 351 NZ LYS A 942 -6.297 13.516 8.150 1.00 0.00 N ATOM 0 H LYS A 942 -8.459 13.147 2.517 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.791 15.310 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.757 13.372 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.042 14.914 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.994 13.567 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.311 13.082 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.583 15.359 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.224 15.959 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -6.401 15.627 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -7.927 14.852 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -6.261 13.477 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -6.902 12.748 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -5.337 13.406 7.766 1.00 0.00 H new ATOM 365 N ILE A 943 -7.291 16.085 1.414 1.00 0.00 N ATOM 366 CA ILE A 943 -6.827 17.220 0.636 1.00 0.00 C ATOM 367 C ILE A 943 -8.001 18.072 0.154 1.00 0.00 C ATOM 368 O ILE A 943 -7.835 19.259 -0.132 1.00 0.00 O ATOM 369 CB ILE A 943 -5.950 16.784 -0.566 1.00 0.00 C ATOM 370 CG1 ILE A 943 -5.302 18.001 -1.231 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.762 16.000 -1.583 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.389 17.650 -2.383 1.00 0.00 C ATOM 0 H ILE A 943 -7.234 15.186 0.936 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.205 17.823 1.298 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.164 16.133 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -6.086 18.668 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.733 18.552 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -6.120 15.708 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.173 15.108 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.577 16.621 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.967 18.563 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -3.583 17.008 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.957 17.126 -3.151 1.00 0.00 H new ATOM 384 N GLN A 944 -9.191 17.466 0.067 1.00 0.00 N ATOM 385 CA GLN A 944 -10.385 18.194 -0.365 1.00 0.00 C ATOM 386 C GLN A 944 -10.623 19.467 0.466 1.00 0.00 C ATOM 387 O GLN A 944 -10.592 20.567 -0.088 1.00 0.00 O ATOM 388 CB GLN A 944 -11.638 17.308 -0.328 1.00 0.00 C ATOM 389 CG GLN A 944 -11.660 16.194 -1.360 1.00 0.00 C ATOM 390 CD GLN A 944 -11.431 16.696 -2.768 1.00 0.00 C ATOM 391 OE1 GLN A 944 -12.361 17.121 -3.453 1.00 0.00 O ATOM 392 NE2 GLN A 944 -10.197 16.618 -3.215 1.00 0.00 N ATOM 0 H GLN A 944 -9.350 16.483 0.288 1.00 0.00 H new ATOM 0 HA GLN A 944 -10.199 18.491 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.725 16.866 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -12.516 17.938 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.894 15.460 -1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -12.620 15.681 -1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -9.458 16.259 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -9.979 16.917 -4.166 1.00 0.00 H new ATOM 401 N PRO A 945 -10.866 19.373 1.795 1.00 0.00 N ATOM 402 CA PRO A 945 -11.192 20.546 2.595 1.00 0.00 C ATOM 403 C PRO A 945 -10.016 21.115 3.399 1.00 0.00 C ATOM 404 O PRO A 945 -10.147 22.162 4.040 1.00 0.00 O ATOM 405 CB PRO A 945 -12.247 19.980 3.539 1.00 0.00 C ATOM 406 CG PRO A 945 -11.857 18.546 3.749 1.00 0.00 C ATOM 407 CD PRO A 945 -10.909 18.168 2.629 1.00 0.00 C ATOM 0 HA PRO A 945 -11.503 21.387 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.265 20.526 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.245 20.058 3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.377 18.416 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.737 17.903 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.921 17.908 3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.272 17.306 2.070 1.00 0.00 H new ATOM 415 N ALA A 946 -8.870 20.453 3.354 1.00 0.00 N ATOM 416 CA ALA A 946 -7.771 20.799 4.247 1.00 0.00 C ATOM 417 C ALA A 946 -6.551 21.357 3.501 1.00 0.00 C ATOM 418 O ALA A 946 -6.299 21.013 2.347 1.00 0.00 O ATOM 419 CB ALA A 946 -7.392 19.586 5.072 1.00 0.00 C ATOM 0 H ALA A 946 -8.676 19.681 2.716 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.116 21.598 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.570 19.843 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.251 19.263 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.082 18.778 4.410 1.00 0.00 H new ATOM 425 N PRO A 947 -5.784 22.242 4.173 1.00 0.00 N ATOM 426 CA PRO A 947 -4.596 22.904 3.609 1.00 0.00 C ATOM 427 C PRO A 947 -3.324 22.032 3.692 1.00 0.00 C ATOM 428 O PRO A 947 -3.381 20.896 4.162 1.00 0.00 O ATOM 429 CB PRO A 947 -4.452 24.163 4.495 1.00 0.00 C ATOM 430 CG PRO A 947 -5.576 24.117 5.483 1.00 0.00 C ATOM 431 CD PRO A 947 -6.020 22.689 5.543 1.00 0.00 C ATOM 0 HA PRO A 947 -4.712 23.115 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.488 24.171 5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.502 25.070 3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -5.248 24.464 6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.394 24.767 5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -5.443 22.112 6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.068 22.599 5.827 1.00 0.00 H new ATOM 439 N PRO A 948 -2.155 22.554 3.227 1.00 0.00 N ATOM 440 CA PRO A 948 -0.863 21.833 3.265 1.00 0.00 C ATOM 441 C PRO A 948 -0.516 21.234 4.632 1.00 0.00 C ATOM 442 O PRO A 948 0.116 20.165 4.716 1.00 0.00 O ATOM 443 CB PRO A 948 0.155 22.912 2.896 1.00 0.00 C ATOM 444 CG PRO A 948 -0.603 23.861 2.041 1.00 0.00 C ATOM 445 CD PRO A 948 -2.008 23.878 2.576 1.00 0.00 C ATOM 0 HA PRO A 948 -0.884 20.973 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.550 23.406 3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.006 22.489 2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.161 24.856 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.587 23.543 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.156 24.692 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.738 24.015 1.778 1.00 0.00 H new ATOM 453 N GLU A 949 -0.929 21.908 5.701 1.00 0.00 N ATOM 454 CA GLU A 949 -0.729 21.384 7.045 1.00 0.00 C ATOM 455 C GLU A 949 -1.315 19.987 7.164 1.00 0.00 C ATOM 456 O GLU A 949 -0.822 19.167 7.929 1.00 0.00 O ATOM 457 CB GLU A 949 -1.359 22.292 8.097 1.00 0.00 C ATOM 458 CG GLU A 949 -0.531 23.521 8.425 1.00 0.00 C ATOM 459 CD GLU A 949 -1.126 24.336 9.552 1.00 0.00 C ATOM 460 OE1 GLU A 949 -0.842 24.026 10.728 1.00 0.00 O ATOM 461 OE2 GLU A 949 -1.881 25.285 9.266 1.00 0.00 O ATOM 0 H GLU A 949 -1.401 22.812 5.662 1.00 0.00 H new ATOM 0 HA GLU A 949 0.346 21.343 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.341 22.610 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.517 21.718 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 949 0.479 23.213 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -0.445 24.145 7.536 1.00 0.00 H new ATOM 468 N GLU A 950 -2.359 19.718 6.390 1.00 0.00 N ATOM 469 CA GLU A 950 -2.973 18.406 6.379 1.00 0.00 C ATOM 470 C GLU A 950 -2.458 17.569 5.215 1.00 0.00 C ATOM 471 O GLU A 950 -2.800 16.393 5.103 1.00 0.00 O ATOM 472 CB GLU A 950 -4.489 18.503 6.309 1.00 0.00 C ATOM 473 CG GLU A 950 -5.111 19.278 7.461 1.00 0.00 C ATOM 474 CD GLU A 950 -4.875 18.628 8.805 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.264 17.456 8.978 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.329 19.296 9.705 1.00 0.00 O ATOM 0 H GLU A 950 -2.795 20.394 5.763 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.699 17.917 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -4.770 18.980 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -4.907 17.497 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -4.702 20.288 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -6.184 19.371 7.292 1.00 0.00 H new ATOM 483 N TYR A 951 -1.635 18.168 4.350 1.00 0.00 N ATOM 484 CA TYR A 951 -0.964 17.407 3.296 1.00 0.00 C ATOM 485 C TYR A 951 -0.171 16.281 3.934 1.00 0.00 C ATOM 486 O TYR A 951 -0.160 15.157 3.444 1.00 0.00 O ATOM 487 CB TYR A 951 -0.020 18.280 2.447 1.00 0.00 C ATOM 488 CG TYR A 951 -0.688 19.143 1.402 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.066 19.153 1.226 1.00 0.00 C ATOM 490 CD2 TYR A 951 0.084 19.948 0.579 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.652 19.940 0.251 1.00 0.00 C ATOM 492 CE2 TYR A 951 -0.491 20.737 -0.391 1.00 0.00 C ATOM 493 CZ TYR A 951 -1.858 20.734 -0.552 1.00 0.00 C ATOM 494 OH TYR A 951 -2.430 21.519 -1.528 1.00 0.00 O ATOM 0 H TYR A 951 -1.420 19.165 4.359 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.731 17.016 2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.548 18.926 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.698 17.628 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.688 18.538 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.157 19.956 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -3.724 19.933 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.128 21.356 -1.023 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.730 22.015 -2.001 1.00 0.00 H new ATOM 504 N VAL A 952 0.479 16.572 5.049 1.00 0.00 N ATOM 505 CA VAL A 952 1.194 15.513 5.762 1.00 0.00 C ATOM 506 C VAL A 952 0.247 14.591 6.576 1.00 0.00 C ATOM 507 O VAL A 952 0.354 13.380 6.460 1.00 0.00 O ATOM 508 CB VAL A 952 2.399 16.033 6.604 1.00 0.00 C ATOM 509 CG1 VAL A 952 2.120 17.385 7.243 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.810 15.019 7.667 1.00 0.00 C ATOM 0 H VAL A 952 0.530 17.498 5.473 1.00 0.00 H new ATOM 0 HA VAL A 952 1.633 14.889 4.984 1.00 0.00 H new ATOM 0 HB VAL A 952 3.227 16.165 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.990 17.702 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.912 18.119 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.258 17.304 7.905 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.652 15.411 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.971 14.836 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.101 14.085 7.186 1.00 0.00 H new ATOM 520 N PRO A 953 -0.700 15.101 7.398 1.00 0.00 N ATOM 521 CA PRO A 953 -1.707 14.240 8.050 1.00 0.00 C ATOM 522 C PRO A 953 -2.478 13.326 7.095 1.00 0.00 C ATOM 523 O PRO A 953 -2.970 12.278 7.502 1.00 0.00 O ATOM 524 CB PRO A 953 -2.673 15.231 8.663 1.00 0.00 C ATOM 525 CG PRO A 953 -1.830 16.408 8.965 1.00 0.00 C ATOM 526 CD PRO A 953 -0.821 16.479 7.851 1.00 0.00 C ATOM 0 HA PRO A 953 -1.220 13.561 8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.479 15.483 7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.138 14.831 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.429 17.318 9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.339 16.301 9.932 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.158 17.135 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.134 16.869 8.202 1.00 0.00 H new ATOM 534 N MET A 954 -2.628 13.721 5.840 1.00 0.00 N ATOM 535 CA MET A 954 -3.316 12.856 4.896 1.00 0.00 C ATOM 536 C MET A 954 -2.407 11.694 4.518 1.00 0.00 C ATOM 537 O MET A 954 -2.863 10.569 4.285 1.00 0.00 O ATOM 538 CB MET A 954 -3.787 13.612 3.650 1.00 0.00 C ATOM 539 CG MET A 954 -2.686 14.030 2.699 1.00 0.00 C ATOM 540 SD MET A 954 -3.305 15.015 1.322 1.00 0.00 S ATOM 541 CE MET A 954 -4.023 16.397 2.200 1.00 0.00 C ATOM 0 H MET A 954 -2.294 14.607 5.460 1.00 0.00 H new ATOM 0 HA MET A 954 -4.214 12.473 5.381 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.495 12.984 3.109 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.329 14.503 3.968 1.00 0.00 H new ATOM 0 HG2 MET A 954 -1.937 14.604 3.245 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.187 13.141 2.312 1.00 0.00 H new ATOM 0 HE1 MET A 954 -4.094 17.255 1.532 1.00 0.00 H new ATOM 0 HE2 MET A 954 -5.019 16.127 2.551 1.00 0.00 H new ATOM 0 HE3 MET A 954 -3.395 16.652 3.053 1.00 0.00 H new ATOM 551 N VAL A 955 -1.112 11.965 4.443 1.00 0.00 N ATOM 552 CA VAL A 955 -0.151 10.894 4.269 1.00 0.00 C ATOM 553 C VAL A 955 -0.125 9.987 5.495 1.00 0.00 C ATOM 554 O VAL A 955 0.229 8.814 5.395 1.00 0.00 O ATOM 555 CB VAL A 955 1.274 11.383 3.943 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.132 11.550 5.190 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.905 10.410 2.971 1.00 0.00 C ATOM 0 H VAL A 955 -0.711 12.901 4.499 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.491 10.331 3.400 1.00 0.00 H new ATOM 0 HB VAL A 955 1.209 12.373 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.125 11.896 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.670 12.281 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 955 2.215 10.593 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.915 10.741 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.946 9.419 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.309 10.368 2.059 1.00 0.00 H new ATOM 567 N LYS A 956 -0.480 10.537 6.656 1.00 0.00 N ATOM 568 CA LYS A 956 -0.626 9.720 7.858 1.00 0.00 C ATOM 569 C LYS A 956 -1.568 8.569 7.555 1.00 0.00 C ATOM 570 O LYS A 956 -1.308 7.413 7.905 1.00 0.00 O ATOM 571 CB LYS A 956 -1.190 10.550 9.016 1.00 0.00 C ATOM 572 CG LYS A 956 -1.829 9.719 10.117 1.00 0.00 C ATOM 573 CD LYS A 956 -2.446 10.594 11.196 1.00 0.00 C ATOM 574 CE LYS A 956 -3.544 9.854 11.952 1.00 0.00 C ATOM 575 NZ LYS A 956 -4.814 9.789 11.169 1.00 0.00 N ATOM 0 H LYS A 956 -0.669 11.531 6.788 1.00 0.00 H new ATOM 0 HA LYS A 956 0.353 9.342 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.387 11.148 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.931 11.246 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -2.597 9.075 9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -1.078 9.067 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -1.672 10.913 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.858 11.496 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -3.208 8.843 12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.729 10.353 12.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -5.282 8.876 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -5.444 10.562 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.602 9.883 10.155 1.00 0.00 H new ATOM 589 N GLU A 957 -2.651 8.917 6.876 1.00 0.00 N ATOM 590 CA GLU A 957 -3.669 7.956 6.505 1.00 0.00 C ATOM 591 C GLU A 957 -3.059 6.795 5.713 1.00 0.00 C ATOM 592 O GLU A 957 -3.299 5.632 6.034 1.00 0.00 O ATOM 593 CB GLU A 957 -4.770 8.643 5.683 1.00 0.00 C ATOM 594 CG GLU A 957 -5.204 9.995 6.238 1.00 0.00 C ATOM 595 CD GLU A 957 -5.698 9.927 7.665 1.00 0.00 C ATOM 596 OE1 GLU A 957 -4.866 9.815 8.586 1.00 0.00 O ATOM 597 OE2 GLU A 957 -6.924 10.023 7.876 1.00 0.00 O ATOM 0 H GLU A 957 -2.845 9.870 6.570 1.00 0.00 H new ATOM 0 HA GLU A 957 -4.109 7.552 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.416 8.778 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.638 7.985 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.364 10.688 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.994 10.402 5.607 1.00 0.00 H new ATOM 604 N VAL A 958 -2.231 7.104 4.708 1.00 0.00 N ATOM 605 CA VAL A 958 -1.595 6.054 3.909 1.00 0.00 C ATOM 606 C VAL A 958 -0.444 5.367 4.661 1.00 0.00 C ATOM 607 O VAL A 958 -0.188 4.179 4.455 1.00 0.00 O ATOM 608 CB VAL A 958 -1.076 6.581 2.544 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.152 7.383 1.840 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.185 7.412 2.698 1.00 0.00 C ATOM 0 H VAL A 958 -1.990 8.056 4.433 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.378 5.319 3.721 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.824 5.712 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.770 7.744 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.023 6.750 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.438 8.232 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.513 7.760 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -0.021 8.270 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.969 6.803 3.148 1.00 0.00 H new ATOM 620 N GLY A 959 0.239 6.098 5.539 1.00 0.00 N ATOM 621 CA GLY A 959 1.406 5.539 6.201 1.00 0.00 C ATOM 622 C GLY A 959 1.049 4.512 7.256 1.00 0.00 C ATOM 623 O GLY A 959 1.649 3.435 7.315 1.00 0.00 O ATOM 0 H GLY A 959 0.009 7.056 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 959 2.054 5.077 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.976 6.345 6.664 1.00 0.00 H new ATOM 627 N LEU A 960 0.061 4.831 8.082 1.00 0.00 N ATOM 628 CA LEU A 960 -0.469 3.860 9.035 1.00 0.00 C ATOM 629 C LEU A 960 -1.144 2.714 8.301 1.00 0.00 C ATOM 630 O LEU A 960 -1.216 1.598 8.808 1.00 0.00 O ATOM 631 CB LEU A 960 -1.452 4.520 10.011 1.00 0.00 C ATOM 632 CG LEU A 960 -0.818 5.261 11.197 1.00 0.00 C ATOM 633 CD1 LEU A 960 0.022 6.440 10.733 1.00 0.00 C ATOM 634 CD2 LEU A 960 -1.897 5.729 12.159 1.00 0.00 C ATOM 0 H LEU A 960 -0.388 5.746 8.113 1.00 0.00 H new ATOM 0 HA LEU A 960 0.367 3.466 9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.070 5.225 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.119 3.751 10.401 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.157 4.564 11.712 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.455 6.941 11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.821 6.084 10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -0.607 7.141 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -1.436 6.253 12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -2.579 6.403 11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -2.451 4.867 12.531 1.00 0.00 H new ATOM 646 N ALA A 961 -1.638 3.006 7.110 1.00 0.00 N ATOM 647 CA ALA A 961 -2.231 1.988 6.266 1.00 0.00 C ATOM 648 C ALA A 961 -1.222 0.907 5.894 1.00 0.00 C ATOM 649 O ALA A 961 -1.495 -0.268 6.104 1.00 0.00 O ATOM 650 CB ALA A 961 -2.844 2.599 5.029 1.00 0.00 C ATOM 0 H ALA A 961 -1.639 3.943 6.707 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.026 1.512 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.282 1.813 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.620 3.307 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -2.073 3.119 4.460 1.00 0.00 H new ATOM 656 N LEU A 962 -0.053 1.280 5.353 1.00 0.00 N ATOM 657 CA LEU A 962 0.943 0.280 4.999 1.00 0.00 C ATOM 658 C LEU A 962 1.486 -0.403 6.259 1.00 0.00 C ATOM 659 O LEU A 962 1.840 -1.576 6.223 1.00 0.00 O ATOM 660 CB LEU A 962 2.050 0.914 4.133 1.00 0.00 C ATOM 661 CG LEU A 962 3.220 0.010 3.695 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.242 -0.168 4.810 1.00 0.00 C ATOM 663 CD2 LEU A 962 2.703 -1.341 3.220 1.00 0.00 C ATOM 0 H LEU A 962 0.215 2.245 5.158 1.00 0.00 H new ATOM 0 HA LEU A 962 0.479 -0.501 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.583 1.318 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.465 1.758 4.684 1.00 0.00 H new ATOM 0 HG LEU A 962 3.724 0.503 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.051 -0.811 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 962 4.647 0.804 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.761 -0.625 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 962 3.543 -1.965 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 962 2.163 -1.830 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 962 2.032 -1.197 2.373 1.00 0.00 H new ATOM 675 N ARG A 963 1.543 0.310 7.376 1.00 0.00 N ATOM 676 CA ARG A 963 1.914 -0.317 8.645 1.00 0.00 C ATOM 677 C ARG A 963 0.872 -1.358 9.071 1.00 0.00 C ATOM 678 O ARG A 963 1.217 -2.476 9.456 1.00 0.00 O ATOM 679 CB ARG A 963 2.098 0.743 9.736 1.00 0.00 C ATOM 680 CG ARG A 963 2.362 0.153 11.113 1.00 0.00 C ATOM 681 CD ARG A 963 2.931 1.184 12.071 1.00 0.00 C ATOM 682 NE ARG A 963 4.266 1.628 11.663 1.00 0.00 N ATOM 683 CZ ARG A 963 5.388 0.937 11.890 1.00 0.00 C ATOM 684 NH1 ARG A 963 5.348 -0.223 12.534 1.00 0.00 N ATOM 685 NH2 ARG A 963 6.553 1.420 11.487 1.00 0.00 N ATOM 0 H ARG A 963 1.341 1.308 7.434 1.00 0.00 H new ATOM 0 HA ARG A 963 2.864 -0.833 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 963 2.928 1.395 9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.205 1.366 9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 963 1.434 -0.248 11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 963 3.057 -0.682 11.023 1.00 0.00 H new ATOM 0 HD2 ARG A 963 2.262 2.043 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 963 2.980 0.760 13.074 1.00 0.00 H new ATOM 0 HE ARG A 963 4.345 2.520 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 963 4.456 -0.595 12.860 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.209 -0.743 12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 963 6.593 2.318 11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 963 7.410 0.894 11.659 1.00 0.00 H new ATOM 699 N THR A 964 -0.397 -0.983 9.023 1.00 0.00 N ATOM 700 CA THR A 964 -1.477 -1.942 9.232 1.00 0.00 C ATOM 701 C THR A 964 -1.383 -3.075 8.202 1.00 0.00 C ATOM 702 O THR A 964 -1.596 -4.247 8.519 1.00 0.00 O ATOM 703 CB THR A 964 -2.855 -1.253 9.141 1.00 0.00 C ATOM 704 OG1 THR A 964 -2.898 -0.144 10.052 1.00 0.00 O ATOM 705 CG2 THR A 964 -3.979 -2.221 9.473 1.00 0.00 C ATOM 0 H THR A 964 -0.706 -0.028 8.842 1.00 0.00 H new ATOM 0 HA THR A 964 -1.372 -2.360 10.233 1.00 0.00 H new ATOM 0 HB THR A 964 -2.994 -0.904 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.371 0.598 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 964 -4.937 -1.705 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 964 -3.961 -3.054 8.770 1.00 0.00 H new ATOM 0 HG23 THR A 964 -3.847 -2.598 10.487 1.00 0.00 H new ATOM 713 N LEU A 965 -1.021 -2.709 6.980 1.00 0.00 N ATOM 714 CA LEU A 965 -0.816 -3.666 5.902 1.00 0.00 C ATOM 715 C LEU A 965 0.309 -4.630 6.277 1.00 0.00 C ATOM 716 O LEU A 965 0.253 -5.818 5.984 1.00 0.00 O ATOM 717 CB LEU A 965 -0.468 -2.925 4.610 1.00 0.00 C ATOM 718 CG LEU A 965 -1.125 -3.450 3.336 1.00 0.00 C ATOM 719 CD1 LEU A 965 -0.627 -2.666 2.133 1.00 0.00 C ATOM 720 CD2 LEU A 965 -0.857 -4.937 3.158 1.00 0.00 C ATOM 0 H LEU A 965 -0.861 -1.739 6.708 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.732 -4.235 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.743 -1.877 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.613 -2.957 4.477 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.203 -3.314 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.101 -3.047 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -0.877 -1.612 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 965 0.454 -2.775 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.336 -5.286 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 965 0.218 -5.108 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.260 -5.484 4.010 1.00 0.00 H new ATOM 732 N LEU A 966 1.340 -4.083 6.906 1.00 0.00 N ATOM 733 CA LEU A 966 2.452 -4.870 7.440 1.00 0.00 C ATOM 734 C LEU A 966 1.958 -6.009 8.340 1.00 0.00 C ATOM 735 O LEU A 966 2.573 -7.074 8.386 1.00 0.00 O ATOM 736 CB LEU A 966 3.419 -3.967 8.211 1.00 0.00 C ATOM 737 CG LEU A 966 4.659 -4.658 8.773 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.549 -5.161 7.649 1.00 0.00 C ATOM 739 CD2 LEU A 966 5.424 -3.713 9.686 1.00 0.00 C ATOM 0 H LEU A 966 1.433 -3.079 7.063 1.00 0.00 H new ATOM 0 HA LEU A 966 2.976 -5.318 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.741 -3.162 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.877 -3.505 9.036 1.00 0.00 H new ATOM 0 HG LEU A 966 4.339 -5.518 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.427 -5.650 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.995 -5.874 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.864 -4.321 7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.305 -4.220 10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.733 -2.833 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 966 4.783 -3.407 10.513 1.00 0.00 H new ATOM 751 N ALA A 967 0.854 -5.795 9.051 1.00 0.00 N ATOM 752 CA ALA A 967 0.243 -6.870 9.836 1.00 0.00 C ATOM 753 C ALA A 967 -0.207 -7.996 8.908 1.00 0.00 C ATOM 754 O ALA A 967 0.015 -9.178 9.177 1.00 0.00 O ATOM 755 CB ALA A 967 -0.927 -6.345 10.658 1.00 0.00 C ATOM 0 H ALA A 967 0.367 -4.900 9.102 1.00 0.00 H new ATOM 0 HA ALA A 967 0.986 -7.262 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.364 -7.162 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.575 -5.571 11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.681 -5.926 9.992 1.00 0.00 H new ATOM 761 N THR A 968 -0.821 -7.609 7.803 1.00 0.00 N ATOM 762 CA THR A 968 -1.164 -8.545 6.739 1.00 0.00 C ATOM 763 C THR A 968 0.091 -9.184 6.136 1.00 0.00 C ATOM 764 O THR A 968 0.096 -10.366 5.795 1.00 0.00 O ATOM 765 CB THR A 968 -1.972 -7.842 5.643 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.323 -7.699 6.072 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.928 -8.606 4.334 1.00 0.00 C ATOM 0 H THR A 968 -1.095 -6.645 7.616 1.00 0.00 H new ATOM 0 HA THR A 968 -1.773 -9.335 7.177 1.00 0.00 H new ATOM 0 HB THR A 968 -1.527 -6.862 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.923 -8.069 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.513 -8.075 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.895 -8.691 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.345 -9.603 4.480 1.00 0.00 H new ATOM 775 N VAL A 969 1.141 -8.391 5.993 1.00 0.00 N ATOM 776 CA VAL A 969 2.438 -8.903 5.562 1.00 0.00 C ATOM 777 C VAL A 969 2.899 -10.061 6.459 1.00 0.00 C ATOM 778 O VAL A 969 3.607 -10.959 6.011 1.00 0.00 O ATOM 779 CB VAL A 969 3.512 -7.790 5.531 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.883 -8.353 5.183 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.121 -6.705 4.538 1.00 0.00 C ATOM 0 H VAL A 969 1.123 -7.386 6.169 1.00 0.00 H new ATOM 0 HA VAL A 969 2.313 -9.277 4.546 1.00 0.00 H new ATOM 0 HB VAL A 969 3.571 -7.354 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.615 -7.546 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.173 -9.093 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.844 -8.824 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.886 -5.929 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.030 -7.139 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.166 -6.269 4.832 1.00 0.00 H new ATOM 791 N ASP A 970 2.485 -10.043 7.718 1.00 0.00 N ATOM 792 CA ASP A 970 2.812 -11.124 8.648 1.00 0.00 C ATOM 793 C ASP A 970 1.957 -12.358 8.376 1.00 0.00 C ATOM 794 O ASP A 970 2.359 -13.469 8.683 1.00 0.00 O ATOM 795 CB ASP A 970 2.640 -10.647 10.093 1.00 0.00 C ATOM 796 CG ASP A 970 3.160 -11.631 11.119 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.355 -11.545 11.471 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.371 -12.471 11.600 1.00 0.00 O ATOM 0 H ASP A 970 1.922 -9.294 8.122 1.00 0.00 H new ATOM 0 HA ASP A 970 3.854 -11.405 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.158 -9.696 10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.583 -10.461 10.283 1.00 0.00 H new ATOM 803 N GLU A 971 0.787 -12.153 7.797 1.00 0.00 N ATOM 804 CA GLU A 971 -0.038 -13.267 7.314 1.00 0.00 C ATOM 805 C GLU A 971 0.670 -13.944 6.143 1.00 0.00 C ATOM 806 O GLU A 971 0.885 -15.163 6.113 1.00 0.00 O ATOM 807 CB GLU A 971 -1.402 -12.758 6.855 1.00 0.00 C ATOM 808 CG GLU A 971 -2.122 -11.947 7.908 1.00 0.00 C ATOM 809 CD GLU A 971 -2.581 -12.801 9.067 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.623 -13.479 8.932 1.00 0.00 O ATOM 811 OE2 GLU A 971 -1.904 -12.805 10.116 1.00 0.00 O ATOM 0 H GLU A 971 0.380 -11.230 7.646 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.183 -13.980 8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.272 -12.147 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.023 -13.608 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.461 -11.162 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -2.983 -11.453 7.459 1.00 0.00 H new ATOM 818 N SER A 972 1.045 -13.124 5.185 1.00 0.00 N ATOM 819 CA SER A 972 1.803 -13.558 4.050 1.00 0.00 C ATOM 820 C SER A 972 3.184 -14.074 4.478 1.00 0.00 C ATOM 821 O SER A 972 3.826 -14.810 3.742 1.00 0.00 O ATOM 822 CB SER A 972 1.882 -12.418 3.042 1.00 0.00 C ATOM 823 OG SER A 972 2.354 -11.227 3.640 1.00 0.00 O ATOM 0 H SER A 972 0.826 -12.128 5.180 1.00 0.00 H new ATOM 0 HA SER A 972 1.306 -14.400 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 972 2.543 -12.701 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 972 0.896 -12.244 2.611 1.00 0.00 H new ATOM 0 HG SER A 972 2.890 -11.448 4.430 1.00 0.00 H new ATOM 829 N LEU A 973 3.652 -13.640 5.653 1.00 0.00 N ATOM 830 CA LEU A 973 4.955 -14.063 6.177 1.00 0.00 C ATOM 831 C LEU A 973 5.086 -15.596 6.244 1.00 0.00 C ATOM 832 O LEU A 973 5.988 -16.137 5.617 1.00 0.00 O ATOM 833 CB LEU A 973 5.206 -13.446 7.561 1.00 0.00 C ATOM 834 CG LEU A 973 6.519 -13.842 8.240 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.691 -13.112 7.608 1.00 0.00 C ATOM 836 CD2 LEU A 973 6.449 -13.557 9.730 1.00 0.00 C ATOM 0 H LEU A 973 3.147 -12.995 6.260 1.00 0.00 H new ATOM 0 HA LEU A 973 5.713 -13.702 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.183 -12.361 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.381 -13.725 8.217 1.00 0.00 H new ATOM 0 HG LEU A 973 6.672 -14.912 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.615 -13.408 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.751 -13.367 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.550 -12.036 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 973 7.390 -13.844 10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 973 6.273 -12.493 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 973 5.634 -14.129 10.172 1.00 0.00 H new ATOM 848 N PRO A 974 4.198 -16.349 6.953 1.00 0.00 N ATOM 849 CA PRO A 974 4.235 -17.818 6.895 1.00 0.00 C ATOM 850 C PRO A 974 3.922 -18.320 5.495 1.00 0.00 C ATOM 851 O PRO A 974 4.276 -19.446 5.117 1.00 0.00 O ATOM 852 CB PRO A 974 3.156 -18.269 7.884 1.00 0.00 C ATOM 853 CG PRO A 974 2.281 -17.083 8.067 1.00 0.00 C ATOM 854 CD PRO A 974 3.167 -15.885 7.883 1.00 0.00 C ATOM 0 HA PRO A 974 5.220 -18.212 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.594 -19.118 7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.595 -18.585 8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 974 1.468 -17.082 7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 974 1.825 -17.083 9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.614 -15.038 7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.600 -15.559 8.829 1.00 0.00 H new ATOM 862 N VAL A 975 3.275 -17.470 4.711 1.00 0.00 N ATOM 863 CA VAL A 975 3.010 -17.802 3.316 1.00 0.00 C ATOM 864 C VAL A 975 4.282 -17.672 2.465 1.00 0.00 C ATOM 865 O VAL A 975 4.371 -18.239 1.373 1.00 0.00 O ATOM 866 CB VAL A 975 1.885 -16.926 2.729 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.591 -17.322 1.295 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.628 -17.032 3.578 1.00 0.00 C ATOM 0 H VAL A 975 2.928 -16.558 5.009 1.00 0.00 H new ATOM 0 HA VAL A 975 2.679 -18.840 3.290 1.00 0.00 H new ATOM 0 HB VAL A 975 2.221 -15.889 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.794 -16.692 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.489 -17.194 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.278 -18.366 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.155 -16.407 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.292 -18.069 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.845 -16.696 4.592 1.00 0.00 H new ATOM 878 N LEU A 976 5.282 -16.947 2.959 1.00 0.00 N ATOM 879 CA LEU A 976 6.505 -16.762 2.189 1.00 0.00 C ATOM 880 C LEU A 976 7.377 -18.024 2.189 1.00 0.00 C ATOM 881 O LEU A 976 7.850 -18.409 1.123 1.00 0.00 O ATOM 882 CB LEU A 976 7.281 -15.474 2.578 1.00 0.00 C ATOM 883 CG LEU A 976 8.157 -15.484 3.835 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.528 -16.090 3.557 1.00 0.00 C ATOM 885 CD2 LEU A 976 8.314 -14.071 4.368 1.00 0.00 C ATOM 0 H LEU A 976 5.271 -16.487 3.870 1.00 0.00 H new ATOM 0 HA LEU A 976 6.201 -16.602 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.919 -15.207 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 976 6.551 -14.672 2.692 1.00 0.00 H new ATOM 0 HG LEU A 976 7.662 -16.103 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.122 -16.081 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 976 9.409 -17.117 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 976 10.035 -15.506 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 976 8.938 -14.086 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 976 8.783 -13.446 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 976 7.334 -13.665 4.617 1.00 0.00 H new ATOM 897 N PRO A 977 7.596 -18.730 3.335 1.00 0.00 N ATOM 898 CA PRO A 977 8.289 -20.017 3.292 1.00 0.00 C ATOM 899 C PRO A 977 7.478 -21.036 2.510 1.00 0.00 C ATOM 900 O PRO A 977 8.026 -21.973 1.929 1.00 0.00 O ATOM 901 CB PRO A 977 8.419 -20.438 4.757 1.00 0.00 C ATOM 902 CG PRO A 977 7.398 -19.640 5.480 1.00 0.00 C ATOM 903 CD PRO A 977 7.249 -18.360 4.711 1.00 0.00 C ATOM 0 HA PRO A 977 9.257 -19.948 2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.242 -21.507 4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.420 -20.236 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 977 6.450 -20.176 5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 977 7.711 -19.444 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.233 -17.972 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.912 -17.584 5.095 1.00 0.00 H new ATOM 911 N ALA A 978 6.161 -20.838 2.497 1.00 0.00 N ATOM 912 CA ALA A 978 5.284 -21.641 1.665 1.00 0.00 C ATOM 913 C ALA A 978 5.568 -21.389 0.185 1.00 0.00 C ATOM 914 O ALA A 978 5.938 -22.312 -0.542 1.00 0.00 O ATOM 915 CB ALA A 978 3.825 -21.351 1.986 1.00 0.00 C ATOM 0 H ALA A 978 5.684 -20.129 3.054 1.00 0.00 H new ATOM 0 HA ALA A 978 5.479 -22.692 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.184 -21.963 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.629 -21.585 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.615 -20.297 1.804 1.00 0.00 H new ATOM 921 N SER A 979 5.416 -20.139 -0.259 1.00 0.00 N ATOM 922 CA SER A 979 5.586 -19.809 -1.675 1.00 0.00 C ATOM 923 C SER A 979 5.836 -18.309 -1.921 1.00 0.00 C ATOM 924 O SER A 979 6.777 -17.941 -2.623 1.00 0.00 O ATOM 925 CB SER A 979 4.344 -20.256 -2.457 1.00 0.00 C ATOM 926 OG SER A 979 4.204 -21.668 -2.453 1.00 0.00 O ATOM 0 H SER A 979 5.178 -19.345 0.336 1.00 0.00 H new ATOM 0 HA SER A 979 6.473 -20.340 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.455 -19.801 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.413 -19.900 -3.485 1.00 0.00 H new ATOM 0 HG SER A 979 5.013 -22.076 -2.080 1.00 0.00 H new ATOM 932 N THR A 980 4.998 -17.461 -1.319 1.00 0.00 N ATOM 933 CA THR A 980 4.903 -16.024 -1.653 1.00 0.00 C ATOM 934 C THR A 980 6.216 -15.230 -1.539 1.00 0.00 C ATOM 935 O THR A 980 6.274 -14.108 -2.031 1.00 0.00 O ATOM 936 CB THR A 980 3.797 -15.305 -0.848 1.00 0.00 C ATOM 937 OG1 THR A 980 3.391 -14.122 -1.544 1.00 0.00 O ATOM 938 CG2 THR A 980 4.270 -14.915 0.539 1.00 0.00 C ATOM 0 H THR A 980 4.358 -17.748 -0.579 1.00 0.00 H new ATOM 0 HA THR A 980 4.643 -16.036 -2.711 1.00 0.00 H new ATOM 0 HB THR A 980 2.963 -15.999 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 980 4.180 -13.669 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.462 -14.412 1.071 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.565 -15.809 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 980 5.124 -14.242 0.457 1.00 0.00 H new ATOM 946 N HIS A 981 7.243 -15.783 -0.890 1.00 0.00 N ATOM 947 CA HIS A 981 8.466 -15.024 -0.558 1.00 0.00 C ATOM 948 C HIS A 981 9.076 -14.292 -1.757 1.00 0.00 C ATOM 949 O HIS A 981 9.795 -13.319 -1.578 1.00 0.00 O ATOM 950 CB HIS A 981 9.537 -15.948 0.048 1.00 0.00 C ATOM 951 CG HIS A 981 10.060 -17.000 -0.891 1.00 0.00 C ATOM 952 ND1 HIS A 981 9.632 -18.308 -0.867 1.00 0.00 N ATOM 953 CD2 HIS A 981 10.977 -16.929 -1.886 1.00 0.00 C ATOM 954 CE1 HIS A 981 10.259 -18.993 -1.804 1.00 0.00 C ATOM 955 NE2 HIS A 981 11.078 -18.181 -2.437 1.00 0.00 N ATOM 0 H HIS A 981 7.259 -16.755 -0.581 1.00 0.00 H new ATOM 0 HA HIS A 981 8.152 -14.273 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.373 -15.338 0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.119 -16.439 0.927 1.00 0.00 H new ATOM 0 HD1 HIS A 981 8.938 -18.689 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 981 11.526 -16.050 -2.189 1.00 0.00 H new ATOM 0 HE1 HIS A 981 10.123 -20.043 -2.016 1.00 0.00 H new ATOM 964 N ARG A 982 8.792 -14.738 -2.968 1.00 0.00 N ATOM 965 CA ARG A 982 9.356 -14.072 -4.132 1.00 0.00 C ATOM 966 C ARG A 982 8.575 -12.798 -4.434 1.00 0.00 C ATOM 967 O ARG A 982 9.151 -11.710 -4.559 1.00 0.00 O ATOM 968 CB ARG A 982 9.375 -14.993 -5.350 1.00 0.00 C ATOM 969 CG ARG A 982 10.074 -14.392 -6.566 1.00 0.00 C ATOM 970 CD ARG A 982 11.547 -14.089 -6.292 1.00 0.00 C ATOM 971 NE ARG A 982 11.738 -12.916 -5.431 1.00 0.00 N ATOM 972 CZ ARG A 982 12.611 -12.859 -4.425 1.00 0.00 C ATOM 973 NH1 ARG A 982 13.362 -13.912 -4.127 1.00 0.00 N ATOM 974 NH2 ARG A 982 12.732 -11.745 -3.717 1.00 0.00 N ATOM 0 H ARG A 982 8.191 -15.537 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 982 10.389 -13.810 -3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 982 9.872 -15.925 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 982 8.349 -15.244 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 982 9.997 -15.082 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.564 -13.474 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 982 12.010 -14.957 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 982 12.062 -13.926 -7.239 1.00 0.00 H new ATOM 0 HE ARG A 982 11.166 -12.091 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 982 13.273 -14.772 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 982 14.028 -13.862 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 982 12.158 -10.933 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 982 13.400 -11.700 -2.947 1.00 0.00 H new ATOM 988 N GLU A 983 7.258 -12.924 -4.520 1.00 0.00 N ATOM 989 CA GLU A 983 6.420 -11.771 -4.798 1.00 0.00 C ATOM 990 C GLU A 983 6.327 -10.865 -3.589 1.00 0.00 C ATOM 991 O GLU A 983 6.393 -9.643 -3.715 1.00 0.00 O ATOM 992 CB GLU A 983 5.007 -12.173 -5.185 1.00 0.00 C ATOM 993 CG GLU A 983 4.405 -11.223 -6.202 1.00 0.00 C ATOM 994 CD GLU A 983 4.645 -11.682 -7.629 1.00 0.00 C ATOM 995 OE1 GLU A 983 5.044 -12.852 -7.821 1.00 0.00 O ATOM 996 OE2 GLU A 983 4.446 -10.881 -8.566 1.00 0.00 O ATOM 0 H GLU A 983 6.754 -13.803 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 983 6.890 -11.249 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 983 5.017 -13.183 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.380 -12.196 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.333 -11.137 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.832 -10.229 -6.065 1.00 0.00 H new ATOM 1003 N ILE A 984 6.162 -11.466 -2.416 1.00 0.00 N ATOM 1004 CA ILE A 984 5.922 -10.698 -1.210 1.00 0.00 C ATOM 1005 C ILE A 984 7.044 -9.689 -1.024 1.00 0.00 C ATOM 1006 O ILE A 984 6.796 -8.531 -0.716 1.00 0.00 O ATOM 1007 CB ILE A 984 5.744 -11.614 0.040 1.00 0.00 C ATOM 1008 CG1 ILE A 984 4.970 -10.894 1.159 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.079 -12.124 0.565 1.00 0.00 C ATOM 1010 CD1 ILE A 984 5.763 -9.841 1.909 1.00 0.00 C ATOM 0 H ILE A 984 6.191 -12.476 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 984 4.982 -10.158 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 984 5.160 -12.476 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 984 4.088 -10.423 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.616 -11.638 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.910 -12.758 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.579 -12.701 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.706 -11.278 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 984 5.134 -9.390 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 984 6.631 -10.305 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 984 6.095 -9.071 1.213 1.00 0.00 H new ATOM 1022 N GLU A 985 8.267 -10.111 -1.306 1.00 0.00 N ATOM 1023 CA GLU A 985 9.417 -9.245 -1.128 1.00 0.00 C ATOM 1024 C GLU A 985 9.483 -8.163 -2.202 1.00 0.00 C ATOM 1025 O GLU A 985 9.958 -7.062 -1.927 1.00 0.00 O ATOM 1026 CB GLU A 985 10.716 -10.049 -1.091 1.00 0.00 C ATOM 1027 CG GLU A 985 10.828 -10.941 0.136 1.00 0.00 C ATOM 1028 CD GLU A 985 12.221 -11.493 0.341 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.606 -12.448 -0.364 1.00 0.00 O ATOM 1030 OE2 GLU A 985 12.945 -10.975 1.219 1.00 0.00 O ATOM 0 H GLU A 985 8.486 -11.043 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 985 9.296 -8.748 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.781 -10.665 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.562 -9.363 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.535 -10.373 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.125 -11.769 0.042 1.00 0.00 H new ATOM 1037 N MET A 986 8.998 -8.452 -3.418 1.00 0.00 N ATOM 1038 CA MET A 986 9.077 -7.460 -4.491 1.00 0.00 C ATOM 1039 C MET A 986 8.244 -6.223 -4.152 1.00 0.00 C ATOM 1040 O MET A 986 8.731 -5.096 -4.239 1.00 0.00 O ATOM 1041 CB MET A 986 8.684 -8.026 -5.868 1.00 0.00 C ATOM 1042 CG MET A 986 7.195 -8.216 -6.093 1.00 0.00 C ATOM 1043 SD MET A 986 6.797 -8.499 -7.824 1.00 0.00 S ATOM 1044 CE MET A 986 7.775 -9.961 -8.168 1.00 0.00 C ATOM 0 H MET A 986 8.561 -9.337 -3.675 1.00 0.00 H new ATOM 0 HA MET A 986 10.125 -7.170 -4.565 1.00 0.00 H new ATOM 0 HB2 MET A 986 9.069 -7.359 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 986 9.180 -8.987 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.845 -9.060 -5.499 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.661 -7.334 -5.739 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.163 -10.693 -8.695 1.00 0.00 H new ATOM 0 HE2 MET A 986 8.630 -9.690 -8.788 1.00 0.00 H new ATOM 0 HE3 MET A 986 8.129 -10.391 -7.231 1.00 0.00 H new ATOM 1054 N ALA A 987 6.999 -6.432 -3.741 1.00 0.00 N ATOM 1055 CA ALA A 987 6.122 -5.336 -3.398 1.00 0.00 C ATOM 1056 C ALA A 987 6.426 -4.805 -2.012 1.00 0.00 C ATOM 1057 O ALA A 987 6.386 -3.609 -1.798 1.00 0.00 O ATOM 1058 CB ALA A 987 4.674 -5.758 -3.497 1.00 0.00 C ATOM 0 H ALA A 987 6.580 -7.356 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 987 6.298 -4.533 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 987 4.031 -4.918 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.457 -6.076 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.488 -6.585 -2.811 1.00 0.00 H new ATOM 1064 N GLN A 988 6.728 -5.694 -1.071 1.00 0.00 N ATOM 1065 CA GLN A 988 7.013 -5.270 0.297 1.00 0.00 C ATOM 1066 C GLN A 988 8.184 -4.287 0.328 1.00 0.00 C ATOM 1067 O GLN A 988 8.102 -3.232 0.956 1.00 0.00 O ATOM 1068 CB GLN A 988 7.316 -6.481 1.193 1.00 0.00 C ATOM 1069 CG GLN A 988 7.993 -6.152 2.523 1.00 0.00 C ATOM 1070 CD GLN A 988 7.052 -5.607 3.589 1.00 0.00 C ATOM 1071 OE1 GLN A 988 6.027 -4.878 3.180 1.00 0.00 O flip ATOM 1072 NE2 GLN A 988 7.263 -5.832 4.780 1.00 0.00 N flip ATOM 0 H GLN A 988 6.782 -6.701 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 988 6.126 -4.767 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.382 -7.004 1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.953 -7.172 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.473 -7.053 2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 988 8.782 -5.422 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 988 8.064 -6.399 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 988 6.637 -5.452 5.490 1.00 0.00 H new ATOM 1081 N LYS A 989 9.261 -4.638 -0.370 1.00 0.00 N ATOM 1082 CA LYS A 989 10.419 -3.756 -0.487 1.00 0.00 C ATOM 1083 C LYS A 989 10.001 -2.457 -1.158 1.00 0.00 C ATOM 1084 O LYS A 989 10.479 -1.371 -0.817 1.00 0.00 O ATOM 1085 CB LYS A 989 11.520 -4.430 -1.316 1.00 0.00 C ATOM 1086 CG LYS A 989 12.730 -3.543 -1.555 1.00 0.00 C ATOM 1087 CD LYS A 989 13.652 -4.124 -2.610 1.00 0.00 C ATOM 1088 CE LYS A 989 14.804 -3.182 -2.911 1.00 0.00 C ATOM 1089 NZ LYS A 989 14.341 -1.881 -3.472 1.00 0.00 N ATOM 0 H LYS A 989 9.356 -5.526 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 989 10.806 -3.547 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.841 -5.339 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.106 -4.732 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.399 -2.552 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 989 13.279 -3.417 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 989 14.042 -5.082 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.089 -4.317 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 989 15.370 -3.000 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 989 15.484 -3.658 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 15.144 -1.386 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 13.609 -2.054 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 13.946 -1.295 -2.709 1.00 0.00 H new ATOM 1103 N LEU A 990 9.082 -2.598 -2.100 1.00 0.00 N ATOM 1104 CA LEU A 990 8.575 -1.485 -2.875 1.00 0.00 C ATOM 1105 C LEU A 990 7.746 -0.542 -1.994 1.00 0.00 C ATOM 1106 O LEU A 990 7.954 0.670 -2.020 1.00 0.00 O ATOM 1107 CB LEU A 990 7.772 -2.052 -4.059 1.00 0.00 C ATOM 1108 CG LEU A 990 6.512 -1.300 -4.465 1.00 0.00 C ATOM 1109 CD1 LEU A 990 6.853 0.072 -5.030 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.723 -2.106 -5.481 1.00 0.00 C ATOM 0 H LEU A 990 8.666 -3.496 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 990 9.395 -0.883 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.433 -2.098 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.491 -3.077 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 990 5.900 -1.158 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 990 5.935 0.588 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.380 0.656 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.489 -0.044 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 990 4.825 -1.557 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.336 -2.277 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.441 -3.064 -5.045 1.00 0.00 H new ATOM 1122 N LEU A 991 6.872 -1.115 -1.166 1.00 0.00 N ATOM 1123 CA LEU A 991 5.974 -0.335 -0.314 1.00 0.00 C ATOM 1124 C LEU A 991 6.762 0.563 0.599 1.00 0.00 C ATOM 1125 O LEU A 991 6.578 1.769 0.623 1.00 0.00 O ATOM 1126 CB LEU A 991 5.139 -1.243 0.581 1.00 0.00 C ATOM 1127 CG LEU A 991 4.379 -2.351 -0.115 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.326 -3.559 0.793 1.00 0.00 C ATOM 1129 CD2 LEU A 991 2.965 -1.906 -0.454 1.00 0.00 C ATOM 0 H LEU A 991 6.767 -2.125 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 991 5.333 0.243 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.799 -1.693 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.424 -0.625 1.124 1.00 0.00 H new ATOM 0 HG LEU A 991 4.892 -2.602 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.780 -4.362 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 991 5.340 -3.892 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.820 -3.294 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.438 -2.719 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.438 -1.640 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.005 -1.039 -1.114 1.00 0.00 H new ATOM 1141 N ASN A 992 7.653 -0.050 1.356 1.00 0.00 N ATOM 1142 CA ASN A 992 8.369 0.638 2.405 1.00 0.00 C ATOM 1143 C ASN A 992 9.176 1.796 1.839 1.00 0.00 C ATOM 1144 O ASN A 992 9.319 2.832 2.483 1.00 0.00 O ATOM 1145 CB ASN A 992 9.282 -0.346 3.143 1.00 0.00 C ATOM 1146 CG ASN A 992 8.513 -1.397 3.930 1.00 0.00 C ATOM 1147 OD1 ASN A 992 7.381 -1.743 3.596 1.00 0.00 O ATOM 1148 ND2 ASN A 992 9.127 -1.922 4.980 1.00 0.00 N ATOM 0 H ASN A 992 7.898 -1.035 1.259 1.00 0.00 H new ATOM 0 HA ASN A 992 7.646 1.047 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.930 -0.843 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 992 9.929 0.208 3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 992 8.660 -2.636 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 992 10.066 -1.612 5.229 1.00 0.00 H new ATOM 1155 N SER A 993 9.671 1.635 0.619 1.00 0.00 N ATOM 1156 CA SER A 993 10.468 2.672 -0.005 1.00 0.00 C ATOM 1157 C SER A 993 9.613 3.853 -0.479 1.00 0.00 C ATOM 1158 O SER A 993 10.018 5.008 -0.324 1.00 0.00 O ATOM 1159 CB SER A 993 11.293 2.098 -1.162 1.00 0.00 C ATOM 1160 OG SER A 993 10.511 1.282 -2.022 1.00 0.00 O ATOM 0 H SER A 993 9.534 0.801 0.048 1.00 0.00 H new ATOM 0 HA SER A 993 11.150 3.055 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.729 2.915 -1.736 1.00 0.00 H new ATOM 0 HB3 SER A 993 12.121 1.513 -0.761 1.00 0.00 H new ATOM 0 HG SER A 993 9.560 1.441 -1.848 1.00 0.00 H new ATOM 1166 N ASP A 994 8.420 3.587 -1.011 1.00 0.00 N ATOM 1167 CA ASP A 994 7.646 4.661 -1.635 1.00 0.00 C ATOM 1168 C ASP A 994 6.506 5.144 -0.738 1.00 0.00 C ATOM 1169 O ASP A 994 6.122 6.314 -0.806 1.00 0.00 O ATOM 1170 CB ASP A 994 7.132 4.254 -3.017 1.00 0.00 C ATOM 1171 CG ASP A 994 8.250 4.100 -4.033 1.00 0.00 C ATOM 1172 OD1 ASP A 994 8.964 5.091 -4.305 1.00 0.00 O ATOM 1173 OD2 ASP A 994 8.428 2.989 -4.578 1.00 0.00 O ATOM 0 H ASP A 994 7.979 2.668 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 994 8.326 5.502 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.588 3.313 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 994 6.424 5.002 -3.372 1.00 0.00 H new ATOM 1178 N LEU A 995 5.976 4.268 0.118 1.00 0.00 N ATOM 1179 CA LEU A 995 5.053 4.704 1.164 1.00 0.00 C ATOM 1180 C LEU A 995 5.793 5.713 2.036 1.00 0.00 C ATOM 1181 O LEU A 995 5.259 6.765 2.393 1.00 0.00 O ATOM 1182 CB LEU A 995 4.554 3.519 2.033 1.00 0.00 C ATOM 1183 CG LEU A 995 3.068 3.522 2.397 1.00 0.00 C ATOM 1184 CD1 LEU A 995 2.646 4.868 2.957 1.00 0.00 C ATOM 1185 CD2 LEU A 995 2.218 3.128 1.199 1.00 0.00 C ATOM 0 H LEU A 995 6.167 3.266 0.108 1.00 0.00 H new ATOM 0 HA LEU A 995 4.171 5.148 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 995 4.775 2.591 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.132 3.505 2.957 1.00 0.00 H new ATOM 0 HG LEU A 995 2.908 2.778 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 995 1.585 4.842 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 995 3.225 5.087 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 995 2.824 5.644 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.165 3.137 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 995 2.382 3.837 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.497 2.127 0.869 1.00 0.00 H new ATOM 1197 N ALA A 996 7.047 5.388 2.339 1.00 0.00 N ATOM 1198 CA ALA A 996 7.904 6.292 3.087 1.00 0.00 C ATOM 1199 C ALA A 996 8.163 7.563 2.305 1.00 0.00 C ATOM 1200 O ALA A 996 8.138 8.658 2.867 1.00 0.00 O ATOM 1201 CB ALA A 996 9.225 5.644 3.456 1.00 0.00 C ATOM 0 H ALA A 996 7.488 4.506 2.077 1.00 0.00 H new ATOM 0 HA ALA A 996 7.376 6.538 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.835 6.354 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.039 4.763 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.751 5.348 2.548 1.00 0.00 H new ATOM 1207 N GLU A 997 8.454 7.432 1.018 1.00 0.00 N ATOM 1208 CA GLU A 997 8.630 8.612 0.202 1.00 0.00 C ATOM 1209 C GLU A 997 7.428 9.526 0.325 1.00 0.00 C ATOM 1210 O GLU A 997 7.589 10.711 0.563 1.00 0.00 O ATOM 1211 CB GLU A 997 8.874 8.286 -1.273 1.00 0.00 C ATOM 1212 CG GLU A 997 9.068 9.545 -2.101 1.00 0.00 C ATOM 1213 CD GLU A 997 9.318 9.294 -3.568 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.351 8.673 -3.904 1.00 0.00 O ATOM 1215 OE2 GLU A 997 8.513 9.772 -4.396 1.00 0.00 O ATOM 0 H GLU A 997 8.570 6.543 0.532 1.00 0.00 H new ATOM 0 HA GLU A 997 9.521 9.115 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.755 7.651 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.030 7.719 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.183 10.173 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.908 10.108 -1.693 1.00 0.00 H new ATOM 1222 N LEU A 998 6.227 8.984 0.231 1.00 0.00 N ATOM 1223 CA LEU A 998 5.059 9.842 0.196 1.00 0.00 C ATOM 1224 C LEU A 998 4.870 10.555 1.525 1.00 0.00 C ATOM 1225 O LEU A 998 4.525 11.732 1.540 1.00 0.00 O ATOM 1226 CB LEU A 998 3.785 9.091 -0.184 1.00 0.00 C ATOM 1227 CG LEU A 998 2.592 10.008 -0.477 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.880 10.880 -1.689 1.00 0.00 C ATOM 1229 CD2 LEU A 998 1.317 9.210 -0.691 1.00 0.00 C ATOM 0 H LEU A 998 6.038 7.983 0.179 1.00 0.00 H new ATOM 0 HA LEU A 998 5.243 10.580 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.984 8.477 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.519 8.412 0.626 1.00 0.00 H new ATOM 0 HG LEU A 998 2.443 10.648 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 998 2.024 11.526 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.760 11.493 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.063 10.247 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.491 9.891 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.448 8.534 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.095 8.631 0.206 1.00 0.00 H new ATOM 1241 N ILE A 999 5.128 9.872 2.643 1.00 0.00 N ATOM 1242 CA ILE A 999 4.924 10.497 3.949 1.00 0.00 C ATOM 1243 C ILE A 999 5.816 11.724 4.100 1.00 0.00 C ATOM 1244 O ILE A 999 5.444 12.702 4.746 1.00 0.00 O ATOM 1245 CB ILE A 999 5.136 9.531 5.144 1.00 0.00 C ATOM 1246 CG1 ILE A 999 6.591 9.074 5.253 1.00 0.00 C ATOM 1247 CG2 ILE A 999 4.206 8.331 5.024 1.00 0.00 C ATOM 1248 CD1 ILE A 999 6.865 8.183 6.446 1.00 0.00 C ATOM 0 H ILE A 999 5.470 8.911 2.671 1.00 0.00 H new ATOM 0 HA ILE A 999 3.876 10.795 3.978 1.00 0.00 H new ATOM 0 HB ILE A 999 4.896 10.076 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 999 6.863 8.540 4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 999 7.234 9.952 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 999 4.365 7.661 5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.171 8.672 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.415 7.800 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 999 7.918 7.900 6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 999 6.626 8.720 7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.249 7.286 6.379 1.00 0.00 H new ATOM 1260 N ASN A1000 6.976 11.674 3.469 1.00 0.00 N ATOM 1261 CA ASN A1000 7.916 12.783 3.492 1.00 0.00 C ATOM 1262 C ASN A1000 7.748 13.674 2.265 1.00 0.00 C ATOM 1263 O ASN A1000 8.284 14.765 2.224 1.00 0.00 O ATOM 1264 CB ASN A1000 9.336 12.208 3.580 1.00 0.00 C ATOM 1265 CG ASN A1000 10.183 12.442 2.342 1.00 0.00 C ATOM 1266 OD1 ASN A1000 11.016 13.346 2.301 1.00 0.00 O ATOM 1267 ND2 ASN A1000 9.946 11.645 1.314 1.00 0.00 N ATOM 0 H ASN A1000 7.293 10.869 2.929 1.00 0.00 H new ATOM 0 HA ASN A1000 7.724 13.413 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.841 12.648 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A1000 9.270 11.136 3.764 1.00 0.00 H new ATOM 0 HD21 ASN A1000 10.463 11.768 0.444 1.00 0.00 H new ATOM 0 HD22 ASN A1000 9.246 10.907 1.391 1.00 0.00 H new ATOM 1274 N LYS A1001 7.002 13.199 1.275 1.00 0.00 N ATOM 1275 CA LYS A1001 6.706 13.983 0.076 1.00 0.00 C ATOM 1276 C LYS A1001 5.510 14.884 0.314 1.00 0.00 C ATOM 1277 O LYS A1001 5.440 15.988 -0.216 1.00 0.00 O ATOM 1278 CB LYS A1001 6.453 13.079 -1.133 1.00 0.00 C ATOM 1279 CG LYS A1001 7.731 12.549 -1.768 1.00 0.00 C ATOM 1280 CD LYS A1001 8.428 13.608 -2.607 1.00 0.00 C ATOM 1281 CE LYS A1001 7.815 13.701 -3.994 1.00 0.00 C ATOM 1282 NZ LYS A1001 8.118 12.495 -4.815 1.00 0.00 N ATOM 0 H LYS A1001 6.587 12.267 1.277 1.00 0.00 H new ATOM 0 HA LYS A1001 7.578 14.600 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.833 12.237 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.887 13.635 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.407 12.201 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.496 11.687 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.357 14.575 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A1001 9.488 13.370 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A1001 6.735 13.819 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A1001 8.193 14.589 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 7.574 12.532 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.134 12.470 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 7.857 11.639 -4.284 1.00 0.00 H new ATOM 1296 N MET A1002 4.569 14.408 1.111 1.00 0.00 N ATOM 1297 CA MET A1002 3.444 15.228 1.511 1.00 0.00 C ATOM 1298 C MET A1002 3.934 16.223 2.533 1.00 0.00 C ATOM 1299 O MET A1002 3.609 17.408 2.487 1.00 0.00 O ATOM 1300 CB MET A1002 2.350 14.356 2.099 1.00 0.00 C ATOM 1301 CG MET A1002 1.976 13.196 1.204 1.00 0.00 C ATOM 1302 SD MET A1002 1.263 13.723 -0.360 1.00 0.00 S ATOM 1303 CE MET A1002 -0.115 14.703 0.223 1.00 0.00 C ATOM 0 H MET A1002 4.563 13.462 1.491 1.00 0.00 H new ATOM 0 HA MET A1002 3.029 15.753 0.650 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.679 13.972 3.065 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.466 14.966 2.283 1.00 0.00 H new ATOM 0 HG2 MET A1002 2.863 12.593 1.009 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.264 12.556 1.725 1.00 0.00 H new ATOM 0 HE1 MET A1002 -0.859 14.791 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.564 14.220 1.091 1.00 0.00 H new ATOM 0 HE3 MET A1002 0.237 15.696 0.502 1.00 0.00 H new ATOM 1313 N LYS A1003 4.724 15.706 3.460 1.00 0.00 N ATOM 1314 CA LYS A1003 5.507 16.519 4.361 1.00 0.00 C ATOM 1315 C LYS A1003 6.353 17.505 3.566 1.00 0.00 C ATOM 1316 O LYS A1003 6.467 18.649 3.946 1.00 0.00 O ATOM 1317 CB LYS A1003 6.407 15.617 5.207 1.00 0.00 C ATOM 1318 CG LYS A1003 7.249 16.358 6.227 1.00 0.00 C ATOM 1319 CD LYS A1003 8.188 15.413 6.959 1.00 0.00 C ATOM 1320 CE LYS A1003 8.820 16.081 8.170 1.00 0.00 C ATOM 1321 NZ LYS A1003 7.820 16.339 9.238 1.00 0.00 N ATOM 0 H LYS A1003 4.837 14.703 3.605 1.00 0.00 H new ATOM 0 HA LYS A1003 4.841 17.079 5.017 1.00 0.00 H new ATOM 0 HB2 LYS A1003 5.786 14.888 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A1003 7.068 15.058 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A1003 7.828 17.135 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A1003 6.598 16.857 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A1003 7.639 14.527 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A1003 8.970 15.076 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A1003 9.616 15.447 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A1003 9.281 17.021 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 8.311 16.537 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 7.235 17.158 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 7.213 15.503 9.354 1.00 0.00 H new ATOM 1335 N LEU A1004 6.980 17.024 2.495 1.00 0.00 N ATOM 1336 CA LEU A1004 7.749 17.868 1.569 1.00 0.00 C ATOM 1337 C LEU A1004 6.905 18.980 0.935 1.00 0.00 C ATOM 1338 O LEU A1004 7.329 20.129 0.907 1.00 0.00 O ATOM 1339 CB LEU A1004 8.371 17.011 0.469 1.00 0.00 C ATOM 1340 CG LEU A1004 9.493 17.677 -0.331 1.00 0.00 C ATOM 1341 CD1 LEU A1004 10.655 18.045 0.582 1.00 0.00 C ATOM 1342 CD2 LEU A1004 9.967 16.763 -1.451 1.00 0.00 C ATOM 0 H LEU A1004 6.972 16.036 2.240 1.00 0.00 H new ATOM 0 HA LEU A1004 8.529 18.348 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A1004 8.762 16.099 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.584 16.711 -0.223 1.00 0.00 H new ATOM 0 HG LEU A1004 9.100 18.591 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A1004 11.443 18.517 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A1004 10.309 18.737 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A1004 11.045 17.144 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A1004 10.765 17.254 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.341 15.831 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.135 16.548 -2.122 1.00 0.00 H new ATOM 1354 N ALA A1005 5.734 18.646 0.400 1.00 0.00 N ATOM 1355 CA ALA A1005 4.832 19.663 -0.144 1.00 0.00 C ATOM 1356 C ALA A1005 4.463 20.659 0.949 1.00 0.00 C ATOM 1357 O ALA A1005 4.407 21.871 0.726 1.00 0.00 O ATOM 1358 CB ALA A1005 3.585 19.015 -0.726 1.00 0.00 C ATOM 0 H ALA A1005 5.387 17.689 0.330 1.00 0.00 H new ATOM 0 HA ALA A1005 5.340 20.195 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.927 19.786 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.870 18.331 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.064 18.462 0.056 1.00 0.00 H new ATOM 1364 N GLN A1006 4.240 20.114 2.131 1.00 0.00 N ATOM 1365 CA GLN A1006 4.010 20.882 3.345 1.00 0.00 C ATOM 1366 C GLN A1006 5.267 21.683 3.696 1.00 0.00 C ATOM 1367 O GLN A1006 5.198 22.801 4.201 1.00 0.00 O ATOM 1368 CB GLN A1006 3.666 19.873 4.452 1.00 0.00 C ATOM 1369 CG GLN A1006 3.138 20.443 5.756 1.00 0.00 C ATOM 1370 CD GLN A1006 4.227 20.833 6.742 1.00 0.00 C ATOM 1371 OE1 GLN A1006 4.686 20.004 7.525 1.00 0.00 O ATOM 1372 NE2 GLN A1006 4.623 22.093 6.740 1.00 0.00 N ATOM 0 H GLN A1006 4.213 19.105 2.279 1.00 0.00 H new ATOM 0 HA GLN A1006 3.195 21.595 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A1006 2.924 19.178 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A1006 4.562 19.292 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A1006 2.528 21.320 5.538 1.00 0.00 H new ATOM 0 HG3 GLN A1006 2.484 19.708 6.224 1.00 0.00 H new ATOM 0 HE21 GLN A1006 4.220 22.753 6.075 1.00 0.00 H new ATOM 0 HE22 GLN A1006 5.332 22.406 7.403 1.00 0.00 H new ATOM 1381 N GLN A1007 6.411 21.095 3.378 1.00 0.00 N ATOM 1382 CA GLN A1007 7.710 21.628 3.734 1.00 0.00 C ATOM 1383 C GLN A1007 8.075 22.777 2.809 1.00 0.00 C ATOM 1384 O GLN A1007 8.875 23.650 3.153 1.00 0.00 O ATOM 1385 CB GLN A1007 8.755 20.505 3.646 1.00 0.00 C ATOM 1386 CG GLN A1007 9.911 20.642 4.621 1.00 0.00 C ATOM 1387 CD GLN A1007 9.594 20.104 6.009 1.00 0.00 C ATOM 1388 OE1 GLN A1007 8.322 20.094 6.386 1.00 0.00 O flip ATOM 1389 NE2 GLN A1007 10.491 19.670 6.730 1.00 0.00 N flip ATOM 0 H GLN A1007 6.459 20.220 2.857 1.00 0.00 H new ATOM 0 HA GLN A1007 7.684 22.011 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.259 19.550 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.153 20.475 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.777 20.114 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.188 21.693 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A1007 11.459 19.693 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A1007 10.267 19.287 7.649 1.00 0.00 H new ATOM 1398 N TYR A1008 7.482 22.760 1.630 1.00 0.00 N ATOM 1399 CA TYR A1008 7.632 23.839 0.678 1.00 0.00 C ATOM 1400 C TYR A1008 6.677 24.955 1.057 1.00 0.00 C ATOM 1401 O TYR A1008 7.111 26.045 1.429 1.00 0.00 O ATOM 1402 CB TYR A1008 7.326 23.330 -0.728 1.00 0.00 C ATOM 1403 CG TYR A1008 7.990 24.105 -1.844 1.00 0.00 C ATOM 1404 CD1 TYR A1008 9.277 24.602 -1.700 1.00 0.00 C ATOM 1405 CD2 TYR A1008 7.336 24.318 -3.053 1.00 0.00 C ATOM 1406 CE1 TYR A1008 9.897 25.287 -2.726 1.00 0.00 C ATOM 1407 CE2 TYR A1008 7.948 25.006 -4.083 1.00 0.00 C ATOM 1408 CZ TYR A1008 9.227 25.491 -3.915 1.00 0.00 C ATOM 1409 OH TYR A1008 9.843 26.174 -4.938 1.00 0.00 O ATOM 0 H TYR A1008 6.885 21.999 1.308 1.00 0.00 H new ATOM 0 HA TYR A1008 8.655 24.215 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A1008 7.634 22.287 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A1008 6.247 23.354 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A1008 9.803 24.451 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.334 23.939 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A1008 10.902 25.662 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.426 25.163 -5.016 1.00 0.00 H new ATOM 0 HH TYR A1008 9.236 26.230 -5.706 1.00 0.00 H new ATOM 1419 N VAL A1009 5.373 24.637 0.978 1.00 0.00 N ATOM 1420 CA VAL A1009 4.275 25.546 1.335 1.00 0.00 C ATOM 1421 C VAL A1009 4.576 26.998 0.936 1.00 0.00 C ATOM 1422 O VAL A1009 4.244 27.951 1.639 1.00 0.00 O ATOM 1423 CB VAL A1009 3.916 25.429 2.846 1.00 0.00 C ATOM 1424 CG1 VAL A1009 5.006 26.006 3.743 1.00 0.00 C ATOM 1425 CG2 VAL A1009 2.567 26.071 3.140 1.00 0.00 C ATOM 0 H VAL A1009 5.049 23.724 0.658 1.00 0.00 H new ATOM 0 HA VAL A1009 3.401 25.237 0.762 1.00 0.00 H new ATOM 0 HB VAL A1009 3.844 24.366 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A1009 4.711 25.902 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A1009 5.939 25.468 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A1009 5.148 27.061 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.342 25.975 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A1009 2.600 27.127 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.792 25.572 2.558 1.00 0.00 H new ATOM 1435 N MET A1010 5.165 27.164 -0.243 1.00 0.00 N ATOM 1436 CA MET A1010 5.592 28.486 -0.693 1.00 0.00 C ATOM 1437 C MET A1010 4.412 29.272 -1.270 1.00 0.00 C ATOM 1438 O MET A1010 4.594 30.355 -1.814 1.00 0.00 O ATOM 1439 CB MET A1010 6.724 28.355 -1.723 1.00 0.00 C ATOM 1440 CG MET A1010 7.381 29.681 -2.093 1.00 0.00 C ATOM 1441 SD MET A1010 8.847 29.478 -3.122 1.00 0.00 S ATOM 1442 CE MET A1010 9.968 28.701 -1.962 1.00 0.00 C ATOM 0 H MET A1010 5.357 26.408 -0.900 1.00 0.00 H new ATOM 0 HA MET A1010 5.971 29.040 0.166 1.00 0.00 H new ATOM 0 HB2 MET A1010 7.485 27.682 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A1010 6.327 27.893 -2.627 1.00 0.00 H new ATOM 0 HG2 MET A1010 6.658 30.304 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A1010 7.655 30.212 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A1010 10.905 28.462 -2.466 1.00 0.00 H new ATOM 0 HE2 MET A1010 10.164 29.382 -1.134 1.00 0.00 H new ATOM 0 HE3 MET A1010 9.518 27.785 -1.579 1.00 0.00 H new ATOM 1452 N THR A1011 3.204 28.720 -1.095 1.00 0.00 N ATOM 1453 CA THR A1011 1.943 29.304 -1.585 1.00 0.00 C ATOM 1454 C THR A1011 1.958 29.571 -3.093 1.00 0.00 C ATOM 1455 O THR A1011 2.794 30.314 -3.604 1.00 0.00 O ATOM 1456 CB THR A1011 1.534 30.587 -0.811 1.00 0.00 C ATOM 1457 OG1 THR A1011 2.592 31.555 -0.806 1.00 0.00 O ATOM 1458 CG2 THR A1011 1.151 30.250 0.624 1.00 0.00 C ATOM 0 H THR A1011 3.071 27.838 -0.600 1.00 0.00 H new ATOM 0 HA THR A1011 1.186 28.544 -1.392 1.00 0.00 H new ATOM 0 HB THR A1011 0.673 31.015 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A1011 3.144 31.440 -1.607 1.00 0.00 H new ATOM 0 HG21 THR A1011 0.868 31.162 1.149 1.00 0.00 H new ATOM 0 HG22 THR A1011 0.310 29.556 0.623 1.00 0.00 H new ATOM 0 HG23 THR A1011 2.000 29.790 1.129 1.00 0.00 H new ATOM 1466 N SER A1012 1.019 28.937 -3.795 1.00 0.00 N ATOM 1467 CA SER A1012 0.910 29.027 -5.253 1.00 0.00 C ATOM 1468 C SER A1012 2.022 28.225 -5.931 1.00 0.00 C ATOM 1469 O SER A1012 1.748 27.283 -6.672 1.00 0.00 O ATOM 1470 CB SER A1012 0.926 30.485 -5.723 1.00 0.00 C ATOM 1471 OG SER A1012 -0.154 31.214 -5.160 1.00 0.00 O ATOM 0 H SER A1012 0.308 28.343 -3.367 1.00 0.00 H new ATOM 0 HA SER A1012 -0.048 28.595 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A1012 1.870 30.951 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A1012 0.865 30.521 -6.811 1.00 0.00 H new ATOM 0 HG SER A1012 -0.121 32.142 -5.474 1.00 0.00 H new ATOM 1477 N LEU A1013 3.275 28.569 -5.647 1.00 0.00 N ATOM 1478 CA LEU A1013 4.411 27.846 -6.212 1.00 0.00 C ATOM 1479 C LEU A1013 4.556 26.480 -5.537 1.00 0.00 C ATOM 1480 O LEU A1013 5.344 25.640 -5.956 1.00 0.00 O ATOM 1481 CB LEU A1013 5.698 28.668 -6.059 1.00 0.00 C ATOM 1482 CG LEU A1013 6.919 28.122 -6.808 1.00 0.00 C ATOM 1483 CD1 LEU A1013 6.634 28.023 -8.300 1.00 0.00 C ATOM 1484 CD2 LEU A1013 8.135 29.000 -6.556 1.00 0.00 C ATOM 0 H LEU A1013 3.529 29.341 -5.031 1.00 0.00 H new ATOM 0 HA LEU A1013 4.233 27.688 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A1013 5.504 29.683 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A1013 5.943 28.734 -4.999 1.00 0.00 H new ATOM 0 HG LEU A1013 7.131 27.121 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A1013 7.513 27.633 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A1013 5.790 27.353 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A1013 6.394 29.012 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.992 28.598 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.931 30.013 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A1013 8.355 29.020 -5.489 1.00 0.00 H new ATOM 1496 N GLN A1014 3.770 26.263 -4.491 1.00 0.00 N ATOM 1497 CA GLN A1014 3.723 24.977 -3.805 1.00 0.00 C ATOM 1498 C GLN A1014 3.008 23.943 -4.678 1.00 0.00 C ATOM 1499 O GLN A1014 3.134 22.742 -4.480 1.00 0.00 O ATOM 1500 CB GLN A1014 3.017 25.149 -2.454 1.00 0.00 C ATOM 1501 CG GLN A1014 2.922 23.884 -1.611 1.00 0.00 C ATOM 1502 CD GLN A1014 1.547 23.243 -1.668 1.00 0.00 C ATOM 1503 OE1 GLN A1014 0.659 23.592 -0.893 1.00 0.00 O ATOM 1504 NE2 GLN A1014 1.366 22.295 -2.572 1.00 0.00 N ATOM 0 H GLN A1014 3.150 26.969 -4.095 1.00 0.00 H new ATOM 0 HA GLN A1014 4.736 24.617 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A1014 3.544 25.911 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.010 25.525 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.667 23.167 -1.955 1.00 0.00 H new ATOM 0 HG3 GLN A1014 3.164 24.123 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.129 22.034 -3.197 1.00 0.00 H new ATOM 0 HE22 GLN A1014 0.464 21.825 -2.644 1.00 0.00 H new ATOM 1513 N GLN A1015 2.280 24.444 -5.656 1.00 0.00 N ATOM 1514 CA GLN A1015 1.415 23.634 -6.507 1.00 0.00 C ATOM 1515 C GLN A1015 2.209 22.587 -7.275 1.00 0.00 C ATOM 1516 O GLN A1015 1.736 21.475 -7.468 1.00 0.00 O ATOM 1517 CB GLN A1015 0.654 24.551 -7.457 1.00 0.00 C ATOM 1518 CG GLN A1015 0.044 23.871 -8.677 1.00 0.00 C ATOM 1519 CD GLN A1015 -1.159 23.011 -8.349 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -2.293 23.491 -8.320 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -0.929 21.731 -8.121 1.00 0.00 N ATOM 0 H GLN A1015 2.269 25.437 -5.889 1.00 0.00 H new ATOM 0 HA GLN A1015 0.706 23.094 -5.879 1.00 0.00 H new ATOM 0 HB2 GLN A1015 -0.144 25.042 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A1015 1.331 25.333 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -0.250 24.633 -9.399 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.803 23.253 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.025 21.370 -8.154 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.705 21.103 -7.912 1.00 0.00 H new ATOM 1530 N GLU A1016 3.400 22.936 -7.740 1.00 0.00 N ATOM 1531 CA GLU A1016 4.290 21.935 -8.313 1.00 0.00 C ATOM 1532 C GLU A1016 4.606 20.837 -7.313 1.00 0.00 C ATOM 1533 O GLU A1016 4.710 19.667 -7.669 1.00 0.00 O ATOM 1534 CB GLU A1016 5.590 22.546 -8.782 1.00 0.00 C ATOM 1535 CG GLU A1016 6.234 23.510 -7.811 1.00 0.00 C ATOM 1536 CD GLU A1016 7.584 23.979 -8.305 1.00 0.00 C ATOM 1537 OE1 GLU A1016 7.631 24.680 -9.337 1.00 0.00 O ATOM 1538 OE2 GLU A1016 8.610 23.628 -7.679 1.00 0.00 O ATOM 0 H GLU A1016 3.768 23.887 -7.733 1.00 0.00 H new ATOM 0 HA GLU A1016 3.763 21.511 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.295 21.742 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A1016 5.410 23.068 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A1016 5.581 24.370 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A1016 6.349 23.027 -6.840 1.00 0.00 H new ATOM 1545 N TYR A1017 4.729 21.221 -6.059 1.00 0.00 N ATOM 1546 CA TYR A1017 4.996 20.269 -5.000 1.00 0.00 C ATOM 1547 C TYR A1017 3.751 19.415 -4.788 1.00 0.00 C ATOM 1548 O TYR A1017 3.818 18.287 -4.306 1.00 0.00 O ATOM 1549 CB TYR A1017 5.436 20.999 -3.724 1.00 0.00 C ATOM 1550 CG TYR A1017 6.916 20.835 -3.458 1.00 0.00 C ATOM 1551 CD1 TYR A1017 7.824 20.940 -4.504 1.00 0.00 C ATOM 1552 CD2 TYR A1017 7.412 20.565 -2.185 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.174 20.781 -4.298 1.00 0.00 C ATOM 1554 CE2 TYR A1017 8.768 20.404 -1.974 1.00 0.00 C ATOM 1555 CZ TYR A1017 9.645 20.516 -3.032 1.00 0.00 C ATOM 1556 OH TYR A1017 10.997 20.359 -2.827 1.00 0.00 O ATOM 0 H TYR A1017 4.648 22.189 -5.747 1.00 0.00 H new ATOM 0 HA TYR A1017 5.819 19.609 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.199 22.059 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A1017 4.871 20.616 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.462 21.151 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A1017 6.729 20.480 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.862 20.864 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.140 20.191 -0.983 1.00 0.00 H new ATOM 0 HH TYR A1017 11.165 20.178 -1.879 1.00 0.00 H new ATOM 1566 N LYS A1018 2.620 19.982 -5.192 1.00 0.00 N ATOM 1567 CA LYS A1018 1.339 19.276 -5.211 1.00 0.00 C ATOM 1568 C LYS A1018 1.232 18.386 -6.458 1.00 0.00 C ATOM 1569 O LYS A1018 0.495 17.399 -6.472 1.00 0.00 O ATOM 1570 CB LYS A1018 0.179 20.283 -5.159 1.00 0.00 C ATOM 1571 CG LYS A1018 -1.202 19.650 -5.097 1.00 0.00 C ATOM 1572 CD LYS A1018 -2.299 20.703 -5.024 1.00 0.00 C ATOM 1573 CE LYS A1018 -3.686 20.075 -4.944 1.00 0.00 C ATOM 1574 NZ LYS A1018 -4.061 19.359 -6.195 1.00 0.00 N ATOM 0 H LYS A1018 2.563 20.947 -5.517 1.00 0.00 H new ATOM 0 HA LYS A1018 1.280 18.634 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A1018 0.310 20.925 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A1018 0.232 20.925 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -1.356 19.024 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -1.265 18.997 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -2.137 21.336 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -2.242 21.348 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -3.718 19.378 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -4.422 20.852 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -5.048 19.038 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.960 20.002 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.438 18.537 -6.325 1.00 0.00 H new ATOM 1588 N LYS A1019 1.962 18.745 -7.505 1.00 0.00 N ATOM 1589 CA LYS A1019 2.000 17.941 -8.719 1.00 0.00 C ATOM 1590 C LYS A1019 2.851 16.700 -8.476 1.00 0.00 C ATOM 1591 O LYS A1019 2.404 15.573 -8.699 1.00 0.00 O ATOM 1592 CB LYS A1019 2.563 18.753 -9.889 1.00 0.00 C ATOM 1593 CG LYS A1019 2.388 18.076 -11.241 1.00 0.00 C ATOM 1594 CD LYS A1019 3.101 18.836 -12.348 1.00 0.00 C ATOM 1595 CE LYS A1019 4.610 18.746 -12.197 1.00 0.00 C ATOM 1596 NZ LYS A1019 5.327 19.547 -13.220 1.00 0.00 N ATOM 0 H LYS A1019 2.536 19.588 -7.538 1.00 0.00 H new ATOM 0 HA LYS A1019 0.985 17.639 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A1019 2.073 19.727 -9.914 1.00 0.00 H new ATOM 0 HB3 LYS A1019 3.624 18.934 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A1019 2.775 17.058 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.326 18.002 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A1019 2.806 18.433 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.793 19.882 -12.330 1.00 0.00 H new ATOM 0 HE2 LYS A1019 4.895 19.091 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.919 17.703 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 6.353 19.455 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.077 19.202 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.054 20.547 -13.132 1.00 0.00 H new ATOM 1610 N GLN A1020 4.086 16.921 -8.018 1.00 0.00 N ATOM 1611 CA GLN A1020 4.947 15.833 -7.554 1.00 0.00 C ATOM 1612 C GLN A1020 4.231 14.991 -6.504 1.00 0.00 C ATOM 1613 O GLN A1020 4.463 13.787 -6.401 1.00 0.00 O ATOM 1614 CB GLN A1020 6.264 16.368 -6.975 1.00 0.00 C ATOM 1615 CG GLN A1020 7.335 16.658 -8.017 1.00 0.00 C ATOM 1616 CD GLN A1020 6.981 17.818 -8.920 1.00 0.00 C ATOM 1617 OE1 GLN A1020 6.335 17.641 -9.950 1.00 0.00 O ATOM 1618 NE2 GLN A1020 7.413 19.013 -8.546 1.00 0.00 N ATOM 0 H GLN A1020 4.512 17.846 -7.959 1.00 0.00 H new ATOM 0 HA GLN A1020 5.178 15.210 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.058 17.283 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A1020 6.655 15.642 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.277 16.872 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A1020 7.494 15.767 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A1020 7.946 19.115 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A1020 7.212 19.831 -9.121 1.00 0.00 H new ATOM 1627 N MET A1021 3.371 15.640 -5.725 1.00 0.00 N ATOM 1628 CA MET A1021 2.533 14.957 -4.747 1.00 0.00 C ATOM 1629 C MET A1021 1.683 13.888 -5.423 1.00 0.00 C ATOM 1630 O MET A1021 1.643 12.744 -4.977 1.00 0.00 O ATOM 1631 CB MET A1021 1.615 15.961 -4.052 1.00 0.00 C ATOM 1632 CG MET A1021 0.639 15.331 -3.078 1.00 0.00 C ATOM 1633 SD MET A1021 -0.793 16.380 -2.753 1.00 0.00 S ATOM 1634 CE MET A1021 -1.683 16.192 -4.295 1.00 0.00 C ATOM 0 H MET A1021 3.236 16.651 -5.754 1.00 0.00 H new ATOM 0 HA MET A1021 3.184 14.484 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A1021 2.227 16.688 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A1021 1.054 16.510 -4.809 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.301 14.374 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.152 15.122 -2.139 1.00 0.00 H new ATOM 0 HE1 MET A1021 -2.221 17.113 -4.519 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.978 15.979 -5.099 1.00 0.00 H new ATOM 0 HE3 MET A1021 -2.392 15.369 -4.208 1.00 0.00 H new ATOM 1644 N LEU A1022 1.023 14.272 -6.509 1.00 0.00 N ATOM 1645 CA LEU A1022 0.124 13.379 -7.229 1.00 0.00 C ATOM 1646 C LEU A1022 0.910 12.207 -7.811 1.00 0.00 C ATOM 1647 O LEU A1022 0.543 11.048 -7.616 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.606 14.159 -8.339 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.932 13.560 -8.839 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.705 12.281 -9.628 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -2.867 13.302 -7.669 1.00 0.00 C ATOM 0 H LEU A1022 1.095 15.206 -6.913 1.00 0.00 H new ATOM 0 HA LEU A1022 -0.621 12.981 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.803 15.167 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.068 14.253 -9.190 1.00 0.00 H new ATOM 0 HG LEU A1022 -2.393 14.285 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.664 11.886 -9.965 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.076 12.494 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -1.213 11.544 -8.993 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -3.802 12.878 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.399 12.602 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -3.072 14.240 -7.153 1.00 0.00 H new ATOM 1663 N THR A1023 2.000 12.515 -8.503 1.00 0.00 N ATOM 1664 CA THR A1023 2.844 11.491 -9.108 1.00 0.00 C ATOM 1665 C THR A1023 3.405 10.541 -8.048 1.00 0.00 C ATOM 1666 O THR A1023 3.495 9.332 -8.267 1.00 0.00 O ATOM 1667 CB THR A1023 4.001 12.134 -9.894 1.00 0.00 C ATOM 1668 OG1 THR A1023 3.478 13.105 -10.812 1.00 0.00 O ATOM 1669 CG2 THR A1023 4.792 11.085 -10.663 1.00 0.00 C ATOM 0 H THR A1023 2.322 13.470 -8.660 1.00 0.00 H new ATOM 0 HA THR A1023 2.223 10.917 -9.795 1.00 0.00 H new ATOM 0 HB THR A1023 4.670 12.617 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.216 13.515 -11.310 1.00 0.00 H new ATOM 0 HG21 THR A1023 5.603 11.568 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.207 10.358 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.133 10.576 -11.367 1.00 0.00 H new ATOM 1677 N ALA A1024 3.748 11.089 -6.889 1.00 0.00 N ATOM 1678 CA ALA A1024 4.295 10.288 -5.802 1.00 0.00 C ATOM 1679 C ALA A1024 3.201 9.452 -5.154 1.00 0.00 C ATOM 1680 O ALA A1024 3.415 8.291 -4.817 1.00 0.00 O ATOM 1681 CB ALA A1024 4.966 11.173 -4.764 1.00 0.00 C ATOM 0 H ALA A1024 3.657 12.083 -6.678 1.00 0.00 H new ATOM 0 HA ALA A1024 5.046 9.618 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.367 10.553 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A1024 5.777 11.731 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.236 11.870 -4.353 1.00 0.00 H new ATOM 1687 N ALA A1025 2.027 10.049 -4.994 1.00 0.00 N ATOM 1688 CA ALA A1025 0.881 9.353 -4.424 1.00 0.00 C ATOM 1689 C ALA A1025 0.433 8.222 -5.337 1.00 0.00 C ATOM 1690 O ALA A1025 -0.007 7.175 -4.870 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.265 10.323 -4.182 1.00 0.00 C ATOM 0 H ALA A1025 1.843 11.018 -5.252 1.00 0.00 H new ATOM 0 HA ALA A1025 1.182 8.926 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.112 9.786 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.057 11.101 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.562 10.778 -5.127 1.00 0.00 H new ATOM 1697 N HIS A1026 0.551 8.433 -6.641 1.00 0.00 N ATOM 1698 CA HIS A1026 0.184 7.404 -7.599 1.00 0.00 C ATOM 1699 C HIS A1026 1.231 6.301 -7.624 1.00 0.00 C ATOM 1700 O HIS A1026 0.889 5.127 -7.749 1.00 0.00 O ATOM 1701 CB HIS A1026 -0.015 7.991 -9.003 1.00 0.00 C ATOM 1702 CG HIS A1026 -0.352 6.961 -10.042 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -1.630 6.498 -10.267 1.00 0.00 N ATOM 1704 CD2 HIS A1026 0.444 6.287 -10.906 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -1.604 5.585 -11.220 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -0.357 5.436 -11.624 1.00 0.00 N ATOM 0 H HIS A1026 0.895 9.299 -7.055 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.766 6.976 -7.280 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.812 8.734 -8.968 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.894 8.513 -9.302 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.513 6.399 -11.010 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -2.460 5.050 -11.604 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -0.041 4.794 -12.351 1.00 0.00 H new ATOM 1715 N ALA A1027 2.498 6.678 -7.517 1.00 0.00 N ATOM 1716 CA ALA A1027 3.565 5.698 -7.393 1.00 0.00 C ATOM 1717 C ALA A1027 3.311 4.847 -6.160 1.00 0.00 C ATOM 1718 O ALA A1027 3.331 3.625 -6.224 1.00 0.00 O ATOM 1719 CB ALA A1027 4.918 6.387 -7.303 1.00 0.00 C ATOM 0 H ALA A1027 2.809 7.649 -7.514 1.00 0.00 H new ATOM 0 HA ALA A1027 3.578 5.060 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.703 5.636 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.086 6.979 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.936 7.040 -6.431 1.00 0.00 H new ATOM 1725 N LEU A1028 3.011 5.528 -5.062 1.00 0.00 N ATOM 1726 CA LEU A1028 2.657 4.885 -3.802 1.00 0.00 C ATOM 1727 C LEU A1028 1.473 3.952 -3.981 1.00 0.00 C ATOM 1728 O LEU A1028 1.438 2.843 -3.461 1.00 0.00 O ATOM 1729 CB LEU A1028 2.300 5.958 -2.782 1.00 0.00 C ATOM 1730 CG LEU A1028 1.657 5.450 -1.492 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.349 6.064 -0.294 1.00 0.00 C ATOM 1732 CD2 LEU A1028 0.170 5.784 -1.467 1.00 0.00 C ATOM 0 H LEU A1028 3.006 6.547 -5.019 1.00 0.00 H new ATOM 0 HA LEU A1028 3.509 4.299 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.206 6.506 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.620 6.669 -3.251 1.00 0.00 H new ATOM 0 HG LEU A1028 1.768 4.366 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.885 5.697 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A1028 3.404 5.788 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.257 7.149 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.270 5.414 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.039 6.864 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -0.323 5.312 -2.317 1.00 0.00 H new ATOM 1744 N ALA A1029 0.469 4.450 -4.671 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.696 3.645 -4.994 1.00 0.00 C ATOM 1746 C ALA A1029 -0.304 2.363 -5.734 1.00 0.00 C ATOM 1747 O ALA A1029 -0.969 1.338 -5.595 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.694 4.450 -5.811 1.00 0.00 C ATOM 0 H ALA A1029 0.433 5.408 -5.020 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.168 3.355 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.559 3.829 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.015 5.320 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.224 4.778 -6.738 1.00 0.00 H new ATOM 1754 N VAL A1030 0.776 2.418 -6.507 1.00 0.00 N ATOM 1755 CA VAL A1030 1.278 1.238 -7.204 1.00 0.00 C ATOM 1756 C VAL A1030 1.916 0.262 -6.213 1.00 0.00 C ATOM 1757 O VAL A1030 1.848 -0.955 -6.406 1.00 0.00 O ATOM 1758 CB VAL A1030 2.296 1.608 -8.309 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.792 0.362 -9.029 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.677 2.578 -9.303 1.00 0.00 C ATOM 0 H VAL A1030 1.320 3.266 -6.667 1.00 0.00 H new ATOM 0 HA VAL A1030 0.424 0.759 -7.684 1.00 0.00 H new ATOM 0 HB VAL A1030 3.149 2.092 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.506 0.648 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.277 -0.303 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A1030 1.948 -0.153 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.408 2.826 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.805 2.117 -9.766 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.374 3.487 -8.784 1.00 0.00 H new ATOM 1770 N ASP A1031 2.529 0.797 -5.154 1.00 0.00 N ATOM 1771 CA ASP A1031 3.041 -0.032 -4.059 1.00 0.00 C ATOM 1772 C ASP A1031 1.939 -0.957 -3.572 1.00 0.00 C ATOM 1773 O ASP A1031 2.127 -2.170 -3.438 1.00 0.00 O ATOM 1774 CB ASP A1031 3.491 0.824 -2.866 1.00 0.00 C ATOM 1775 CG ASP A1031 4.627 1.770 -3.166 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.653 2.348 -4.266 1.00 0.00 O ATOM 1777 OD2 ASP A1031 5.482 1.947 -2.281 1.00 0.00 O ATOM 0 H ASP A1031 2.683 1.798 -5.031 1.00 0.00 H new ATOM 0 HA ASP A1031 3.894 -0.593 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A1031 2.639 1.402 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A1031 3.791 0.162 -2.053 1.00 0.00 H new ATOM 1782 N ALA A1032 0.767 -0.370 -3.354 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.406 -1.122 -2.950 1.00 0.00 C ATOM 1784 C ALA A1032 -0.858 -2.055 -4.063 1.00 0.00 C ATOM 1785 O ALA A1032 -1.086 -3.236 -3.834 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.538 -0.183 -2.579 1.00 0.00 C ATOM 0 H ALA A1032 0.608 0.633 -3.453 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.138 -1.719 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.410 -0.765 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.225 0.455 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.794 0.436 -3.439 1.00 0.00 H new ATOM 1792 N LYS A1033 -0.967 -1.522 -5.278 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.496 -2.287 -6.403 1.00 0.00 C ATOM 1794 C LYS A1033 -0.650 -3.519 -6.694 1.00 0.00 C ATOM 1795 O LYS A1033 -1.181 -4.589 -6.993 1.00 0.00 O ATOM 1796 CB LYS A1033 -1.605 -1.422 -7.658 1.00 0.00 C ATOM 1797 CG LYS A1033 -2.628 -0.309 -7.538 1.00 0.00 C ATOM 1798 CD LYS A1033 -2.860 0.378 -8.871 1.00 0.00 C ATOM 1799 CE LYS A1033 -3.855 1.519 -8.745 1.00 0.00 C ATOM 1800 NZ LYS A1033 -4.295 2.011 -10.076 1.00 0.00 N ATOM 0 H LYS A1033 -0.697 -0.566 -5.508 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.495 -2.618 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -0.630 -0.987 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -1.867 -2.056 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -3.569 -0.716 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -2.288 0.422 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -1.914 0.760 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -3.228 -0.348 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -4.722 1.185 -8.175 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -3.402 2.337 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -4.973 2.789 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -3.470 2.353 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -4.750 1.236 -10.600 1.00 0.00 H new ATOM 1814 N ASN A1034 0.663 -3.381 -6.598 1.00 0.00 N ATOM 1815 CA ASN A1034 1.539 -4.512 -6.841 1.00 0.00 C ATOM 1816 C ASN A1034 1.427 -5.512 -5.701 1.00 0.00 C ATOM 1817 O ASN A1034 1.418 -6.710 -5.933 1.00 0.00 O ATOM 1818 CB ASN A1034 2.996 -4.072 -7.018 1.00 0.00 C ATOM 1819 CG ASN A1034 3.878 -5.204 -7.533 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.416 -6.086 -8.256 1.00 0.00 O ATOM 1821 ND2 ASN A1034 5.153 -5.182 -7.176 1.00 0.00 N ATOM 0 H ASN A1034 1.138 -2.511 -6.357 1.00 0.00 H new ATOM 0 HA ASN A1034 1.222 -4.986 -7.770 1.00 0.00 H new ATOM 0 HB2 ASN A1034 3.039 -3.234 -7.714 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.385 -3.715 -6.064 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.787 -5.912 -7.502 1.00 0.00 H new ATOM 0 HD22 ASN A1034 5.502 -4.435 -6.575 1.00 0.00 H new ATOM 1828 N LEU A1035 1.275 -5.017 -4.475 1.00 0.00 N ATOM 1829 CA LEU A1035 1.223 -5.897 -3.308 1.00 0.00 C ATOM 1830 C LEU A1035 -0.154 -6.556 -3.193 1.00 0.00 C ATOM 1831 O LEU A1035 -0.257 -7.672 -2.709 1.00 0.00 O ATOM 1832 CB LEU A1035 1.576 -5.146 -2.010 1.00 0.00 C ATOM 1833 CG LEU A1035 1.468 -5.984 -0.738 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.655 -6.925 -0.620 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.365 -5.096 0.486 1.00 0.00 C ATOM 0 H LEU A1035 1.186 -4.023 -4.264 1.00 0.00 H new ATOM 0 HA LEU A1035 1.973 -6.675 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.594 -4.765 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.919 -4.282 -1.916 1.00 0.00 H new ATOM 0 HG LEU A1035 0.559 -6.582 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.562 -7.515 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.678 -7.591 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.577 -6.345 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.289 -5.716 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.252 -4.467 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.479 -4.466 0.405 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.207 -5.887 -3.668 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.552 -6.469 -3.649 1.00 0.00 C ATOM 1849 C LEU A1036 -2.598 -7.622 -4.620 1.00 0.00 C ATOM 1850 O LEU A1036 -3.391 -8.535 -4.489 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.655 -5.425 -3.958 1.00 0.00 C ATOM 1852 CG LEU A1036 -3.715 -4.834 -5.373 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.417 -5.774 -6.347 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.425 -3.490 -5.341 1.00 0.00 C ATOM 0 H LEU A1036 -1.156 -4.950 -4.067 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.759 -6.829 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.620 -5.887 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.538 -4.599 -3.256 1.00 0.00 H new ATOM 0 HG LEU A1036 -2.692 -4.699 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -4.440 -5.321 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -3.877 -6.720 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.437 -5.955 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -4.465 -3.075 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.439 -3.623 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -3.881 -2.807 -4.688 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.720 -7.552 -5.584 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.501 -8.641 -6.513 1.00 0.00 C ATOM 1868 C ASP A1037 -0.576 -9.661 -5.866 1.00 0.00 C ATOM 1869 O ASP A1037 -0.839 -10.852 -5.889 1.00 0.00 O ATOM 1870 CB ASP A1037 -0.898 -8.116 -7.817 1.00 0.00 C ATOM 1871 CG ASP A1037 -0.699 -9.203 -8.851 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -1.700 -9.824 -9.263 1.00 0.00 O ATOM 1873 OD2 ASP A1037 0.454 -9.429 -9.275 1.00 0.00 O ATOM 0 H ASP A1037 -1.131 -6.737 -5.753 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.452 -9.116 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.549 -7.345 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A1037 0.061 -7.644 -7.604 1.00 0.00 H new ATOM 1878 N VAL A1038 0.488 -9.156 -5.253 1.00 0.00 N ATOM 1879 CA VAL A1038 1.463 -9.972 -4.530 1.00 0.00 C ATOM 1880 C VAL A1038 0.818 -10.866 -3.470 1.00 0.00 C ATOM 1881 O VAL A1038 0.920 -12.081 -3.544 1.00 0.00 O ATOM 1882 CB VAL A1038 2.509 -9.072 -3.840 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.277 -9.840 -2.781 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.463 -8.484 -4.863 1.00 0.00 C ATOM 0 H VAL A1038 0.703 -8.159 -5.242 1.00 0.00 H new ATOM 0 HA VAL A1038 1.936 -10.613 -5.274 1.00 0.00 H new ATOM 0 HB VAL A1038 1.978 -8.257 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A1038 4.007 -9.181 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.584 -10.210 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.793 -10.681 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A1038 4.194 -7.852 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.979 -9.290 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.902 -7.887 -5.582 1.00 0.00 H new ATOM 1894 N ILE A1039 0.177 -10.257 -2.478 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.348 -10.994 -1.335 1.00 0.00 C ATOM 1896 C ILE A1039 -1.722 -11.598 -1.602 1.00 0.00 C ATOM 1897 O ILE A1039 -2.074 -12.605 -0.991 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.369 -10.164 -0.036 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.111 -8.842 -0.226 1.00 0.00 C ATOM 1900 CG2 ILE A1039 1.053 -9.920 0.447 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -1.001 -7.909 0.962 1.00 0.00 C ATOM 0 H ILE A1039 0.008 -9.252 -2.443 1.00 0.00 H new ATOM 0 HA ILE A1039 0.355 -11.814 -1.187 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.909 -10.732 0.722 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.719 -8.339 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.164 -9.050 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.030 -9.333 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.541 -10.876 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.609 -9.376 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.552 -6.991 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.419 -8.393 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A1039 0.047 -7.671 1.142 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.520 -11.010 -2.486 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.655 -11.776 -3.010 1.00 0.00 C ATOM 1915 C ASP A1040 -3.127 -13.008 -3.732 1.00 0.00 C ATOM 1916 O ASP A1040 -3.758 -14.049 -3.764 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.565 -10.975 -3.940 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.761 -11.786 -4.407 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.413 -12.428 -3.562 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -6.046 -11.802 -5.621 1.00 0.00 O ATOM 0 H ASP A1040 -2.418 -10.060 -2.842 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.273 -12.055 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.913 -10.081 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.994 -10.641 -4.806 1.00 0.00 H new ATOM 1925 N GLN A1041 -1.951 -12.905 -4.311 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.303 -14.102 -4.806 1.00 0.00 C ATOM 1927 C GLN A1041 -0.637 -14.854 -3.677 1.00 0.00 C ATOM 1928 O GLN A1041 -0.403 -16.026 -3.810 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.284 -13.837 -5.906 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.892 -13.443 -7.238 1.00 0.00 C ATOM 1931 CD GLN A1041 0.154 -13.313 -8.324 1.00 0.00 C ATOM 1932 OE1 GLN A1041 1.160 -14.025 -8.320 1.00 0.00 O ATOM 1933 NE2 GLN A1041 -0.062 -12.397 -9.250 1.00 0.00 N ATOM 0 H GLN A1041 -1.436 -12.035 -4.449 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.098 -14.705 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.389 -13.045 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.322 -14.732 -6.047 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.631 -14.188 -7.534 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.421 -12.496 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.908 -11.828 -9.217 1.00 0.00 H new ATOM 0 HE22 GLN A1041 0.617 -12.258 -9.998 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.293 -14.179 -2.591 1.00 0.00 N ATOM 1943 CA ALA A1042 0.229 -14.858 -1.412 1.00 0.00 C ATOM 1944 C ALA A1042 -0.781 -15.879 -0.916 1.00 0.00 C ATOM 1945 O ALA A1042 -0.468 -17.052 -0.739 1.00 0.00 O ATOM 1946 CB ALA A1042 0.567 -13.875 -0.301 1.00 0.00 C ATOM 0 H ALA A1042 -0.365 -13.166 -2.500 1.00 0.00 H new ATOM 0 HA ALA A1042 1.151 -15.365 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.953 -14.419 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.321 -13.172 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.331 -13.329 -0.013 1.00 0.00 H new ATOM 1952 N ARG A1043 -2.008 -15.426 -0.710 1.00 0.00 N ATOM 1953 CA ARG A1043 -3.083 -16.319 -0.318 1.00 0.00 C ATOM 1954 C ARG A1043 -3.257 -17.439 -1.346 1.00 0.00 C ATOM 1955 O ARG A1043 -3.625 -18.562 -1.000 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.388 -15.537 -0.095 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.943 -14.801 -1.305 1.00 0.00 C ATOM 1958 CD ARG A1043 -5.786 -15.696 -2.205 1.00 0.00 C ATOM 1959 NE ARG A1043 -6.208 -14.995 -3.410 1.00 0.00 N ATOM 1960 CZ ARG A1043 -6.574 -15.584 -4.545 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -6.722 -16.902 -4.602 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -6.806 -14.842 -5.622 1.00 0.00 N ATOM 0 H ARG A1043 -2.282 -14.448 -0.808 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.819 -16.786 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -5.148 -16.232 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.221 -14.811 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.548 -13.960 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.117 -14.387 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -5.212 -16.581 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -6.663 -16.042 -1.658 1.00 0.00 H new ATOM 0 HE ARG A1043 -6.224 -13.976 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -6.555 -17.470 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -7.003 -17.346 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -6.703 -13.828 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -7.087 -15.286 -6.496 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.982 -17.128 -2.606 1.00 0.00 N ATOM 1977 CA LEU A1044 -3.007 -18.127 -3.668 1.00 0.00 C ATOM 1978 C LEU A1044 -1.734 -18.972 -3.661 1.00 0.00 C ATOM 1979 O LEU A1044 -1.755 -20.116 -4.070 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.180 -17.448 -5.021 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.308 -18.387 -6.225 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.526 -19.288 -6.082 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.390 -17.585 -7.515 1.00 0.00 C ATOM 0 H LEU A1044 -2.738 -16.188 -2.919 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.853 -18.791 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.068 -16.818 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.328 -16.788 -5.187 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.420 -19.018 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.596 -19.946 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.430 -19.889 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.426 -18.676 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.481 -18.266 -8.361 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.260 -16.930 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.488 -16.984 -7.628 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.636 -18.382 -3.218 1.00 0.00 N ATOM 1996 CA LYS A1045 0.643 -19.066 -3.061 1.00 0.00 C ATOM 1997 C LYS A1045 0.513 -20.191 -2.059 1.00 0.00 C ATOM 1998 O LYS A1045 1.019 -21.293 -2.264 1.00 0.00 O ATOM 1999 CB LYS A1045 1.700 -18.071 -2.575 1.00 0.00 C ATOM 2000 CG LYS A1045 2.738 -17.684 -3.614 1.00 0.00 C ATOM 2001 CD LYS A1045 2.116 -17.184 -4.910 1.00 0.00 C ATOM 2002 CE LYS A1045 3.171 -16.623 -5.849 1.00 0.00 C ATOM 2003 NZ LYS A1045 2.614 -16.306 -7.192 1.00 0.00 N ATOM 0 H LYS A1045 -0.605 -17.398 -2.952 1.00 0.00 H new ATOM 0 HA LYS A1045 0.943 -19.480 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.197 -17.167 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.212 -18.499 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A1045 3.385 -16.908 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.370 -18.546 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A1045 1.587 -18.001 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.377 -16.414 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A1045 3.601 -15.721 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.982 -17.344 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.383 -16.289 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 1.919 -17.032 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.150 -15.376 -7.165 1.00 0.00 H new ATOM 2017 N MET A1046 -0.175 -19.898 -0.970 1.00 0.00 N ATOM 2018 CA MET A1046 -0.443 -20.902 0.045 1.00 0.00 C ATOM 2019 C MET A1046 -1.326 -21.999 -0.542 1.00 0.00 C ATOM 2020 O MET A1046 -1.181 -23.178 -0.214 1.00 0.00 O ATOM 2021 CB MET A1046 -1.116 -20.268 1.261 1.00 0.00 C ATOM 2022 CG MET A1046 -1.298 -21.233 2.418 1.00 0.00 C ATOM 2023 SD MET A1046 -2.091 -20.471 3.846 1.00 0.00 S ATOM 2024 CE MET A1046 -2.099 -21.841 5.000 1.00 0.00 C ATOM 0 H MET A1046 -0.558 -18.975 -0.766 1.00 0.00 H new ATOM 0 HA MET A1046 0.501 -21.340 0.370 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.520 -19.419 1.596 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.090 -19.878 0.966 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.896 -22.082 2.086 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.325 -21.625 2.715 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.560 -21.526 5.936 1.00 0.00 H new ATOM 0 HE2 MET A1046 -2.667 -22.670 4.577 1.00 0.00 H new ATOM 0 HE3 MET A1046 -1.075 -22.162 5.190 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.230 -21.598 -1.430 1.00 0.00 N ATOM 2035 CA ILE A1047 -3.066 -22.545 -2.151 1.00 0.00 C ATOM 2036 C ILE A1047 -2.221 -23.319 -3.166 1.00 0.00 C ATOM 2037 O ILE A1047 -2.337 -24.534 -3.290 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.236 -21.831 -2.872 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -5.149 -21.138 -1.857 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -5.040 -22.812 -3.713 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.737 -22.075 -0.822 1.00 0.00 C ATOM 0 H ILE A1047 -2.401 -20.621 -1.666 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.491 -23.239 -1.426 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.810 -21.078 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.584 -20.358 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.962 -20.645 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.855 -22.284 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.392 -23.264 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.450 -23.591 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.372 -21.510 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.331 -22.841 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.932 -22.549 -0.261 1.00 0.00 H new ATOM 2053 N SER A1048 -1.358 -22.595 -3.869 1.00 0.00 N ATOM 2054 CA SER A1048 -0.420 -23.177 -4.828 1.00 0.00 C ATOM 2055 C SER A1048 0.391 -24.322 -4.215 1.00 0.00 C ATOM 2056 O SER A1048 0.743 -25.281 -4.900 1.00 0.00 O ATOM 2057 CB SER A1048 0.533 -22.092 -5.350 1.00 0.00 C ATOM 2058 OG SER A1048 -0.178 -21.073 -6.037 1.00 0.00 O ATOM 0 H SER A1048 -1.287 -21.580 -3.791 1.00 0.00 H new ATOM 0 HA SER A1048 -1.005 -23.587 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.084 -21.656 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.268 -22.540 -6.018 1.00 0.00 H new ATOM 0 HG SER A1048 -0.802 -20.637 -5.420 1.00 0.00 H new ATOM 2064 N GLN A1049 0.684 -24.220 -2.925 1.00 0.00 N ATOM 2065 CA GLN A1049 1.455 -25.248 -2.242 1.00 0.00 C ATOM 2066 C GLN A1049 0.556 -26.404 -1.796 1.00 0.00 C ATOM 2067 O GLN A1049 0.995 -27.552 -1.731 1.00 0.00 O ATOM 2068 CB GLN A1049 2.187 -24.647 -1.037 1.00 0.00 C ATOM 2069 CG GLN A1049 3.107 -25.623 -0.313 1.00 0.00 C ATOM 2070 CD GLN A1049 4.285 -26.079 -1.160 1.00 0.00 C ATOM 2071 OE1 GLN A1049 4.202 -26.158 -2.387 1.00 0.00 O ATOM 2072 NE2 GLN A1049 5.390 -26.398 -0.508 1.00 0.00 N ATOM 0 H GLN A1049 0.400 -23.439 -2.334 1.00 0.00 H new ATOM 0 HA GLN A1049 2.191 -25.643 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.775 -23.792 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.449 -24.268 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.482 -25.152 0.596 1.00 0.00 H new ATOM 0 HG3 GLN A1049 2.530 -26.495 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A1049 5.423 -26.320 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A1049 6.210 -26.722 -1.021 1.00 0.00 H new ATOM 2081 N SER A1050 -0.704 -26.104 -1.513 1.00 0.00 N ATOM 2082 CA SER A1050 -1.627 -27.109 -0.998 1.00 0.00 C ATOM 2083 C SER A1050 -2.334 -27.869 -2.124 1.00 0.00 C ATOM 2084 O SER A1050 -2.996 -28.882 -1.883 1.00 0.00 O ATOM 2085 CB SER A1050 -2.638 -26.449 -0.056 1.00 0.00 C ATOM 2086 OG SER A1050 -3.051 -25.187 -0.552 1.00 0.00 O ATOM 0 H SER A1050 -1.111 -25.176 -1.630 1.00 0.00 H new ATOM 0 HA SER A1050 -1.050 -27.846 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A1050 -3.506 -27.098 0.063 1.00 0.00 H new ATOM 0 HB3 SER A1050 -2.193 -26.327 0.932 1.00 0.00 H new ATOM 0 HG SER A1050 -2.386 -24.508 -0.313 1.00 0.00 H new ATOM 2092 N ARG A1051 -2.197 -27.384 -3.351 1.00 0.00 N ATOM 2093 CA ARG A1051 -2.707 -28.097 -4.515 1.00 0.00 C ATOM 2094 C ARG A1051 -1.648 -28.135 -5.616 1.00 0.00 C ATOM 2095 O ARG A1051 -1.381 -27.134 -6.277 1.00 0.00 O ATOM 2096 CB ARG A1051 -4.017 -27.477 -5.035 1.00 0.00 C ATOM 2097 CG ARG A1051 -3.931 -25.997 -5.378 1.00 0.00 C ATOM 2098 CD ARG A1051 -5.231 -25.488 -5.976 1.00 0.00 C ATOM 2099 NE ARG A1051 -5.498 -26.072 -7.288 1.00 0.00 N ATOM 2100 CZ ARG A1051 -6.623 -26.705 -7.608 1.00 0.00 C ATOM 2101 NH1 ARG A1051 -7.587 -26.847 -6.707 1.00 0.00 N ATOM 2102 NH2 ARG A1051 -6.780 -27.196 -8.829 1.00 0.00 N ATOM 0 H ARG A1051 -1.737 -26.499 -3.566 1.00 0.00 H new ATOM 0 HA ARG A1051 -2.933 -29.118 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A1051 -4.334 -28.024 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A1051 -4.792 -27.616 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A1051 -3.695 -25.427 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A1051 -3.116 -25.833 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A1051 -6.055 -25.720 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A1051 -5.188 -24.402 -6.065 1.00 0.00 H new ATOM 0 HE ARG A1051 -4.776 -25.989 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A1051 -7.466 -26.470 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A1051 -8.449 -27.333 -6.955 1.00 0.00 H new ATOM 0 HH21 ARG A1051 -6.039 -27.088 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG A1051 -7.642 -27.682 -9.076 1.00 0.00 H new ATOM 2116 N PRO A1052 -1.011 -29.300 -5.800 1.00 0.00 N ATOM 2117 CA PRO A1052 0.056 -29.483 -6.793 1.00 0.00 C ATOM 2118 C PRO A1052 -0.451 -29.374 -8.229 1.00 0.00 C ATOM 2119 O PRO A1052 0.332 -29.210 -9.165 1.00 0.00 O ATOM 2120 CB PRO A1052 0.575 -30.902 -6.518 1.00 0.00 C ATOM 2121 CG PRO A1052 0.040 -31.263 -5.174 1.00 0.00 C ATOM 2122 CD PRO A1052 -1.262 -30.531 -5.042 1.00 0.00 C ATOM 0 HA PRO A1052 0.820 -28.711 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A1052 0.230 -31.601 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A1052 1.665 -30.931 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A1052 -0.106 -32.340 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A1052 0.734 -30.972 -4.386 1.00 0.00 H new ATOM 0 HD2 PRO A1052 -2.093 -31.102 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A1052 -1.507 -30.324 -4.000 1.00 0.00 H new ATOM 2130 N HIS A1053 -1.762 -29.480 -8.395 1.00 0.00 N ATOM 2131 CA HIS A1053 -2.382 -29.371 -9.707 1.00 0.00 C ATOM 2132 C HIS A1053 -3.857 -29.026 -9.558 1.00 0.00 C ATOM 2133 O HIS A1053 -4.318 -28.076 -10.224 1.00 0.00 O ATOM 2134 CB HIS A1053 -2.210 -30.666 -10.519 1.00 0.00 C ATOM 2135 CG HIS A1053 -2.944 -31.856 -9.972 1.00 0.00 C ATOM 2136 ND1 HIS A1053 -4.079 -32.371 -10.557 1.00 0.00 N ATOM 2137 CD2 HIS A1053 -2.693 -32.635 -8.894 1.00 0.00 C ATOM 2138 CE1 HIS A1053 -4.496 -33.412 -9.862 1.00 0.00 C ATOM 2139 NE2 HIS A1053 -3.674 -33.595 -8.848 1.00 0.00 N ATOM 2140 OXT HIS A1053 -4.543 -29.695 -8.758 1.00 0.00 O ATOM 0 H HIS A1053 -2.420 -29.642 -7.632 1.00 0.00 H new ATOM 0 HA HIS A1053 -1.882 -28.571 -10.254 1.00 0.00 H new ATOM 0 HB2 HIS A1053 -2.549 -30.486 -11.539 1.00 0.00 H new ATOM 0 HB3 HIS A1053 -1.148 -30.906 -10.573 1.00 0.00 H new ATOM 0 HD2 HIS A1053 -1.874 -32.523 -8.199 1.00 0.00 H new ATOM 0 HE1 HIS A1053 -5.365 -34.013 -10.086 1.00 0.00 H new ATOM 0 HE2 HIS A1053 -3.753 -34.329 -8.144 1.00 0.00 H new TER 2149 HIS A1053