USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1041 GLN : amide:sc= -3.38! K(o=-3.4!,f=-1.2) USER MOD Set 1.2: A1045 LYS NZ :NH3+ -104:sc= 0.0255 (180deg=0) USER MOD Set 2.1: A1006 GLN : amide:sc= -0.823 X(o=-2.1,f=-2.5!) USER MOD Set 2.2: A1007 GLN : amide:sc= -1.32 K(o=-2.1,f=-1) USER MOD Set 3.1: A 939 MET CE :methyl -138:sc= -0.727 (180deg=-2.2) USER MOD Set 3.2: A 954 MET CE :methyl -128:sc= -0.153 (180deg=-1.25) USER MOD Set 3.3: A1002 MET CE :methyl -149:sc= -3.92! (180deg=-4.4!) USER MOD Set 3.4: A1021 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 0.902 K(o=0.9,f=-0.46) USER MOD Single : A 924 LYS NZ :NH3+ 164:sc= -0.0333 (180deg=-0.326) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -3.69! C(o=-3.7!,f=-13!) USER MOD Single : A 930 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot 72:sc= 0.304 USER MOD Single : A 941 SER OG : rot 69:sc= 0.692 USER MOD Single : A 942 LYS NZ :NH3+ -144:sc= 0.574 (180deg=-0.0468) USER MOD Single : A 944 GLN : amide:sc=-0.000455 K(o=-0.00045,f=-0.67) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 968 THR OG1 : rot -121:sc= -0.725 USER MOD Single : A 972 SER OG : rot -152:sc= -2.87 USER MOD Single : A 979 SER OG : rot 20:sc= 0.859 USER MOD Single : A 980 THR OG1 : rot -32:sc= -0.637 USER MOD Single : A 981 HIS : no HE2:sc= 0.792 K(o=0.79,f=-4.1!) USER MOD Single : A 986 MET CE :methyl 164:sc= -0.157 (180deg=-0.694) USER MOD Single : A 988 GLN : amide:sc= -1.82! K(o=-1.8!,f=-1) USER MOD Single : A 989 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.12) USER MOD Single : A 992 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 993 SER OG : rot 24:sc= 1.01 USER MOD Single : A1000 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.61) USER MOD Single : A1001 LYS NZ :NH3+ -149:sc= 1.3 (180deg=1.2) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.9!) USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ -162:sc= -0.0774 (180deg=-0.419) USER MOD Single : A1019 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0852) USER MOD Single : A1020 GLN : amide:sc= -0.2 K(o=-0.2,f=-4!) USER MOD Single : A1023 THR OG1 : rot 73:sc= 0.253 USER MOD Single : A1026 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.022) USER MOD Single : A1033 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.135) USER MOD Single : A1034 ASN : amide:sc= -2.14! K(o=-2.1!,f=0) USER MOD Single : A1046 MET CE :methyl 159:sc= -0.232 (180deg=-0.797) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.282 -19.398 -2.191 1.00 0.00 N ATOM 2 CA ARG A 920 -7.928 -18.711 -0.948 1.00 0.00 C ATOM 3 C ARG A 920 -9.058 -17.830 -0.433 1.00 0.00 C ATOM 4 O ARG A 920 -9.213 -17.656 0.774 1.00 0.00 O ATOM 5 CB ARG A 920 -6.678 -17.848 -1.070 1.00 0.00 C ATOM 6 CG ARG A 920 -6.747 -16.699 -2.055 1.00 0.00 C ATOM 7 CD ARG A 920 -6.517 -17.130 -3.484 1.00 0.00 C ATOM 8 NE ARG A 920 -6.443 -15.970 -4.377 1.00 0.00 N ATOM 9 CZ ARG A 920 -6.726 -15.997 -5.679 1.00 0.00 C ATOM 10 NH1 ARG A 920 -7.097 -17.131 -6.261 1.00 0.00 N ATOM 11 NH2 ARG A 920 -6.639 -14.883 -6.398 1.00 0.00 N ATOM 0 HA ARG A 920 -7.732 -19.518 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.446 -17.441 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -5.845 -18.491 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -7.724 -16.221 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -6.003 -15.950 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.593 -17.704 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -7.325 -17.788 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 920 -6.154 -15.079 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -7.167 -17.987 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -7.312 -17.146 -7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -6.356 -14.010 -5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -6.855 -14.901 -7.395 1.00 0.00 H new ATOM 25 N SER A 921 -9.820 -17.273 -1.364 1.00 0.00 N ATOM 26 CA SER A 921 -10.870 -16.311 -1.064 1.00 0.00 C ATOM 27 C SER A 921 -10.280 -14.952 -0.701 1.00 0.00 C ATOM 28 O SER A 921 -10.931 -14.128 -0.059 1.00 0.00 O ATOM 29 CB SER A 921 -11.803 -16.817 0.039 1.00 0.00 C ATOM 30 OG SER A 921 -12.376 -18.067 -0.306 1.00 0.00 O ATOM 0 H SER A 921 -9.725 -17.479 -2.359 1.00 0.00 H new ATOM 0 HA SER A 921 -11.469 -16.190 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.248 -16.914 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.594 -16.087 0.213 1.00 0.00 H new ATOM 0 HG SER A 921 -12.966 -18.367 0.417 1.00 0.00 H new ATOM 36 N ASN A 922 -9.046 -14.736 -1.164 1.00 0.00 N ATOM 37 CA ASN A 922 -8.321 -13.470 -1.005 1.00 0.00 C ATOM 38 C ASN A 922 -8.456 -12.915 0.384 1.00 0.00 C ATOM 39 O ASN A 922 -8.837 -11.753 0.544 1.00 0.00 O ATOM 40 CB ASN A 922 -8.805 -12.401 -1.975 1.00 0.00 C ATOM 41 CG ASN A 922 -9.558 -12.951 -3.167 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.785 -13.023 -3.177 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.818 -13.379 -4.167 1.00 0.00 N ATOM 0 H ASN A 922 -8.514 -15.445 -1.668 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.279 -13.712 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.450 -11.704 -1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.946 -11.832 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.260 -13.789 -4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.802 -13.301 -4.120 1.00 0.00 H new ATOM 50 N ASP A 923 -8.082 -13.735 1.355 1.00 0.00 N ATOM 51 CA ASP A 923 -8.154 -13.407 2.776 1.00 0.00 C ATOM 52 C ASP A 923 -7.599 -12.020 3.086 1.00 0.00 C ATOM 53 O ASP A 923 -7.251 -11.255 2.202 1.00 0.00 O ATOM 54 CB ASP A 923 -7.378 -14.442 3.594 1.00 0.00 C ATOM 55 CG ASP A 923 -8.070 -15.784 3.693 1.00 0.00 C ATOM 56 OD1 ASP A 923 -9.011 -15.919 4.497 1.00 0.00 O ATOM 57 OD2 ASP A 923 -7.649 -16.721 2.987 1.00 0.00 O ATOM 0 H ASP A 923 -7.711 -14.668 1.176 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.210 -13.416 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -6.394 -14.583 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -7.217 -14.051 4.599 1.00 0.00 H new ATOM 62 N LYS A 924 -7.549 -11.716 4.365 1.00 0.00 N ATOM 63 CA LYS A 924 -7.033 -10.443 4.906 1.00 0.00 C ATOM 64 C LYS A 924 -5.878 -9.849 4.070 1.00 0.00 C ATOM 65 O LYS A 924 -5.644 -8.641 4.088 1.00 0.00 O ATOM 66 CB LYS A 924 -6.566 -10.685 6.346 1.00 0.00 C ATOM 67 CG LYS A 924 -6.967 -9.598 7.332 1.00 0.00 C ATOM 68 CD LYS A 924 -6.164 -8.326 7.135 1.00 0.00 C ATOM 69 CE LYS A 924 -6.528 -7.268 8.164 1.00 0.00 C ATOM 70 NZ LYS A 924 -6.312 -7.743 9.560 1.00 0.00 N ATOM 0 H LYS A 924 -7.872 -12.355 5.091 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.841 -9.712 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -6.970 -11.637 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.480 -10.779 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.028 -9.378 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.826 -9.962 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.100 -8.552 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -6.341 -7.935 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.930 -6.373 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -7.572 -6.983 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -6.308 -6.929 10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -7.078 -8.394 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -5.399 -8.238 9.621 1.00 0.00 H new ATOM 84 N VAL A 925 -5.171 -10.704 3.346 1.00 0.00 N ATOM 85 CA VAL A 925 -4.126 -10.277 2.441 1.00 0.00 C ATOM 86 C VAL A 925 -4.665 -9.377 1.321 1.00 0.00 C ATOM 87 O VAL A 925 -4.193 -8.256 1.176 1.00 0.00 O ATOM 88 CB VAL A 925 -3.391 -11.489 1.828 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.454 -12.118 2.846 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.382 -12.528 1.321 1.00 0.00 C ATOM 0 H VAL A 925 -5.310 -11.714 3.373 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.420 -9.694 3.033 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.803 -11.130 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.946 -12.970 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.716 -11.382 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.028 -12.454 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.839 -13.371 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.000 -12.876 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.018 -12.082 0.556 1.00 0.00 H new ATOM 100 N TYR A 926 -5.692 -9.809 0.575 1.00 0.00 N ATOM 101 CA TYR A 926 -6.201 -8.980 -0.515 1.00 0.00 C ATOM 102 C TYR A 926 -7.079 -7.886 0.078 1.00 0.00 C ATOM 103 O TYR A 926 -7.220 -6.794 -0.477 1.00 0.00 O ATOM 104 CB TYR A 926 -6.983 -9.831 -1.513 1.00 0.00 C ATOM 105 CG TYR A 926 -7.740 -9.032 -2.551 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.092 -8.483 -3.651 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.108 -8.831 -2.426 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.789 -7.750 -4.593 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.810 -8.100 -3.362 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.146 -7.564 -4.444 1.00 0.00 C ATOM 111 OH TYR A 926 -9.845 -6.834 -5.378 1.00 0.00 O ATOM 0 H TYR A 926 -6.171 -10.700 0.703 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.371 -8.524 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.291 -10.502 -2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.689 -10.456 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.029 -8.631 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.632 -9.254 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.273 -7.325 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -10.873 -7.949 -3.247 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.791 -6.799 -5.125 1.00 0.00 H new ATOM 121 N GLU A 927 -7.652 -8.202 1.231 1.00 0.00 N ATOM 122 CA GLU A 927 -8.554 -7.304 1.929 1.00 0.00 C ATOM 123 C GLU A 927 -7.842 -6.034 2.403 1.00 0.00 C ATOM 124 O GLU A 927 -8.175 -4.927 1.980 1.00 0.00 O ATOM 125 CB GLU A 927 -9.184 -8.029 3.120 1.00 0.00 C ATOM 126 CG GLU A 927 -10.106 -9.170 2.718 1.00 0.00 C ATOM 127 CD GLU A 927 -10.917 -9.702 3.881 1.00 0.00 C ATOM 128 OE1 GLU A 927 -10.324 -10.300 4.802 1.00 0.00 O ATOM 129 OE2 GLU A 927 -12.156 -9.518 3.878 1.00 0.00 O ATOM 0 H GLU A 927 -7.502 -9.091 1.708 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.332 -7.001 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.391 -8.421 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.747 -7.311 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.782 -8.827 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.512 -9.980 2.294 1.00 0.00 H new ATOM 136 N ASN A 928 -6.843 -6.197 3.260 1.00 0.00 N ATOM 137 CA ASN A 928 -6.197 -5.054 3.898 1.00 0.00 C ATOM 138 C ASN A 928 -5.377 -4.256 2.893 1.00 0.00 C ATOM 139 O ASN A 928 -5.267 -3.041 3.008 1.00 0.00 O ATOM 140 CB ASN A 928 -5.311 -5.515 5.056 1.00 0.00 C ATOM 141 CG ASN A 928 -5.004 -4.425 6.077 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.856 -4.711 7.263 1.00 0.00 O ATOM 143 ND2 ASN A 928 -4.901 -3.179 5.643 1.00 0.00 N ATOM 0 H ASN A 928 -6.463 -7.104 3.530 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.979 -4.405 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.799 -6.347 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.372 -5.895 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -4.694 -2.426 6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -5.029 -2.972 4.653 1.00 0.00 H new ATOM 150 N VAL A 929 -4.776 -4.931 1.928 1.00 0.00 N ATOM 151 CA VAL A 929 -4.050 -4.226 0.883 1.00 0.00 C ATOM 152 C VAL A 929 -4.994 -3.325 0.076 1.00 0.00 C ATOM 153 O VAL A 929 -4.611 -2.235 -0.353 1.00 0.00 O ATOM 154 CB VAL A 929 -3.297 -5.192 -0.045 1.00 0.00 C ATOM 155 CG1 VAL A 929 -4.263 -6.054 -0.825 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.369 -4.423 -0.966 1.00 0.00 C ATOM 0 H VAL A 929 -4.775 -5.948 1.845 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.306 -3.599 1.374 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.688 -5.858 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.706 -6.729 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -4.871 -6.636 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.910 -5.419 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.843 -5.121 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.951 -3.729 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.645 -3.866 -0.371 1.00 0.00 H new ATOM 166 N THR A 930 -6.235 -3.765 -0.117 1.00 0.00 N ATOM 167 CA THR A 930 -7.252 -2.899 -0.694 1.00 0.00 C ATOM 168 C THR A 930 -7.578 -1.786 0.299 1.00 0.00 C ATOM 169 O THR A 930 -7.832 -0.644 -0.082 1.00 0.00 O ATOM 170 CB THR A 930 -8.534 -3.681 -1.058 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.208 -4.765 -1.936 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.555 -2.778 -1.736 1.00 0.00 C ATOM 0 H THR A 930 -6.555 -4.705 0.115 1.00 0.00 H new ATOM 0 HA THR A 930 -6.860 -2.475 -1.618 1.00 0.00 H new ATOM 0 HB THR A 930 -8.968 -4.065 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.075 -5.582 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.446 -3.356 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.824 -1.963 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.127 -2.367 -2.650 1.00 0.00 H new ATOM 180 N GLY A 931 -7.544 -2.140 1.581 1.00 0.00 N ATOM 181 CA GLY A 931 -7.667 -1.162 2.645 1.00 0.00 C ATOM 182 C GLY A 931 -6.579 -0.099 2.585 1.00 0.00 C ATOM 183 O GLY A 931 -6.794 1.032 3.013 1.00 0.00 O ATOM 0 H GLY A 931 -7.432 -3.101 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.644 -0.682 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.622 -1.670 3.608 1.00 0.00 H new ATOM 187 N LEU A 932 -5.414 -0.458 2.045 1.00 0.00 N ATOM 188 CA LEU A 932 -4.338 0.504 1.838 1.00 0.00 C ATOM 189 C LEU A 932 -4.814 1.557 0.844 1.00 0.00 C ATOM 190 O LEU A 932 -4.614 2.758 1.035 1.00 0.00 O ATOM 191 CB LEU A 932 -3.086 -0.224 1.316 1.00 0.00 C ATOM 192 CG LEU A 932 -1.747 0.517 1.457 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.592 -0.439 1.204 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.655 1.697 0.497 1.00 0.00 C ATOM 0 H LEU A 932 -5.194 -1.408 1.744 1.00 0.00 H new ATOM 0 HA LEU A 932 -4.076 0.992 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.004 -1.177 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.240 -0.451 0.261 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.688 0.903 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.352 0.096 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.628 -1.253 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.671 -0.846 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.695 2.197 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -1.744 1.339 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -2.461 2.400 0.707 1.00 0.00 H new ATOM 206 N VAL A 933 -5.481 1.088 -0.204 1.00 0.00 N ATOM 207 CA VAL A 933 -6.074 1.969 -1.200 1.00 0.00 C ATOM 208 C VAL A 933 -7.172 2.825 -0.564 1.00 0.00 C ATOM 209 O VAL A 933 -7.327 3.999 -0.883 1.00 0.00 O ATOM 210 CB VAL A 933 -6.666 1.163 -2.378 1.00 0.00 C ATOM 211 CG1 VAL A 933 -7.190 2.090 -3.465 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.630 0.207 -2.947 1.00 0.00 C ATOM 0 H VAL A 933 -5.625 0.095 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.285 2.615 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.504 0.579 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.601 1.497 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.970 2.730 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.375 2.708 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -6.066 -0.351 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.770 0.773 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -5.310 -0.487 -2.170 1.00 0.00 H new ATOM 222 N LYS A 934 -7.929 2.228 0.342 1.00 0.00 N ATOM 223 CA LYS A 934 -8.982 2.941 1.057 1.00 0.00 C ATOM 224 C LYS A 934 -8.383 4.031 1.941 1.00 0.00 C ATOM 225 O LYS A 934 -8.976 5.093 2.127 1.00 0.00 O ATOM 226 CB LYS A 934 -9.808 1.979 1.920 1.00 0.00 C ATOM 227 CG LYS A 934 -10.315 0.730 1.198 1.00 0.00 C ATOM 228 CD LYS A 934 -11.339 1.036 0.108 1.00 0.00 C ATOM 229 CE LYS A 934 -10.686 1.462 -1.198 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.674 1.574 -2.303 1.00 0.00 N ATOM 0 H LYS A 934 -7.835 1.246 0.603 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.637 3.398 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.202 1.667 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.665 2.520 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.468 0.206 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.762 0.054 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.954 0.153 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -12.007 1.826 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.188 2.421 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.917 0.740 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.188 1.866 -3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.132 0.652 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.394 2.282 -2.054 1.00 0.00 H new ATOM 244 N ALA A 935 -7.203 3.763 2.477 1.00 0.00 N ATOM 245 CA ALA A 935 -6.515 4.715 3.334 1.00 0.00 C ATOM 246 C ALA A 935 -5.884 5.839 2.520 1.00 0.00 C ATOM 247 O ALA A 935 -5.685 6.943 3.019 1.00 0.00 O ATOM 248 CB ALA A 935 -5.478 4.013 4.185 1.00 0.00 C ATOM 0 H ALA A 935 -6.699 2.888 2.332 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.254 5.165 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.974 4.742 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.966 3.264 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.747 3.526 3.540 1.00 0.00 H new ATOM 254 N VAL A 936 -5.561 5.574 1.262 1.00 0.00 N ATOM 255 CA VAL A 936 -5.094 6.643 0.396 1.00 0.00 C ATOM 256 C VAL A 936 -6.293 7.394 -0.188 1.00 0.00 C ATOM 257 O VAL A 936 -6.168 8.507 -0.707 1.00 0.00 O ATOM 258 CB VAL A 936 -4.118 6.150 -0.703 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.792 5.212 -1.688 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.485 7.321 -1.437 1.00 0.00 C ATOM 0 H VAL A 936 -5.612 4.652 0.828 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.510 7.335 1.003 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.333 5.588 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.070 4.893 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.173 4.340 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.618 5.729 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.805 6.946 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.265 7.920 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.930 7.937 -0.729 1.00 0.00 H new ATOM 270 N ILE A 937 -7.473 6.792 -0.061 1.00 0.00 N ATOM 271 CA ILE A 937 -8.713 7.509 -0.313 1.00 0.00 C ATOM 272 C ILE A 937 -8.921 8.530 0.804 1.00 0.00 C ATOM 273 O ILE A 937 -9.422 9.636 0.579 1.00 0.00 O ATOM 274 CB ILE A 937 -9.935 6.561 -0.403 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.796 5.623 -1.604 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.235 7.353 -0.493 1.00 0.00 C ATOM 277 CD1 ILE A 937 -9.663 6.345 -2.930 1.00 0.00 C ATOM 0 H ILE A 937 -7.593 5.817 0.213 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.630 8.007 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.966 5.961 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.923 4.987 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.665 4.967 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.077 6.664 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.342 7.978 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.216 7.984 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.569 5.615 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.547 6.960 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.777 6.980 -2.911 1.00 0.00 H new ATOM 289 N GLU A 938 -8.518 8.141 2.015 1.00 0.00 N ATOM 290 CA GLU A 938 -8.454 9.065 3.146 1.00 0.00 C ATOM 291 C GLU A 938 -7.614 10.276 2.791 1.00 0.00 C ATOM 292 O GLU A 938 -8.001 11.403 3.076 1.00 0.00 O ATOM 293 CB GLU A 938 -7.876 8.378 4.383 1.00 0.00 C ATOM 294 CG GLU A 938 -8.799 7.296 4.924 1.00 0.00 C ATOM 295 CD GLU A 938 -8.232 6.527 6.100 1.00 0.00 C ATOM 296 OE1 GLU A 938 -8.092 7.110 7.193 1.00 0.00 O ATOM 297 OE2 GLU A 938 -7.974 5.316 5.953 1.00 0.00 O ATOM 0 H GLU A 938 -8.230 7.188 2.237 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.470 9.388 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.910 7.938 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.697 9.122 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -9.741 7.755 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -9.028 6.594 4.122 1.00 0.00 H new ATOM 304 N MET A 939 -6.481 10.030 2.144 1.00 0.00 N ATOM 305 CA MET A 939 -5.609 11.102 1.675 1.00 0.00 C ATOM 306 C MET A 939 -6.366 12.024 0.723 1.00 0.00 C ATOM 307 O MET A 939 -6.272 13.245 0.815 1.00 0.00 O ATOM 308 CB MET A 939 -4.390 10.523 0.952 1.00 0.00 C ATOM 309 CG MET A 939 -3.398 11.579 0.492 1.00 0.00 C ATOM 310 SD MET A 939 -2.221 10.959 -0.726 1.00 0.00 S ATOM 311 CE MET A 939 -3.297 10.722 -2.139 1.00 0.00 C ATOM 0 H MET A 939 -6.142 9.092 1.931 1.00 0.00 H new ATOM 0 HA MET A 939 -5.276 11.672 2.543 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.882 9.824 1.616 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.728 9.952 0.087 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.944 12.421 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.852 11.958 1.356 1.00 0.00 H new ATOM 0 HE1 MET A 939 -3.049 9.782 -2.632 1.00 0.00 H new ATOM 0 HE2 MET A 939 -4.334 10.694 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 939 -3.163 11.546 -2.840 1.00 0.00 H new ATOM 321 N SER A 940 -7.132 11.422 -0.179 1.00 0.00 N ATOM 322 CA SER A 940 -7.888 12.172 -1.174 1.00 0.00 C ATOM 323 C SER A 940 -8.973 13.023 -0.514 1.00 0.00 C ATOM 324 O SER A 940 -9.222 14.158 -0.920 1.00 0.00 O ATOM 325 CB SER A 940 -8.507 11.208 -2.187 1.00 0.00 C ATOM 326 OG SER A 940 -7.521 10.340 -2.728 1.00 0.00 O ATOM 0 H SER A 940 -7.246 10.410 -0.241 1.00 0.00 H new ATOM 0 HA SER A 940 -7.206 12.846 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.289 10.621 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 940 -8.981 11.773 -2.990 1.00 0.00 H new ATOM 0 HG SER A 940 -7.254 9.685 -2.050 1.00 0.00 H new ATOM 332 N SER A 941 -9.588 12.489 0.531 1.00 0.00 N ATOM 333 CA SER A 941 -10.673 13.185 1.199 1.00 0.00 C ATOM 334 C SER A 941 -10.077 14.271 2.074 1.00 0.00 C ATOM 335 O SER A 941 -10.542 15.415 2.099 1.00 0.00 O ATOM 336 CB SER A 941 -11.491 12.200 2.036 1.00 0.00 C ATOM 337 OG SER A 941 -11.866 11.070 1.263 1.00 0.00 O ATOM 0 H SER A 941 -9.354 11.581 0.932 1.00 0.00 H new ATOM 0 HA SER A 941 -11.342 13.635 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.908 11.878 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.383 12.695 2.420 1.00 0.00 H new ATOM 0 HG SER A 941 -11.070 10.538 1.054 1.00 0.00 H new ATOM 343 N LYS A 942 -9.008 13.879 2.752 1.00 0.00 N ATOM 344 CA LYS A 942 -8.225 14.757 3.594 1.00 0.00 C ATOM 345 C LYS A 942 -7.854 16.031 2.864 1.00 0.00 C ATOM 346 O LYS A 942 -8.197 17.116 3.306 1.00 0.00 O ATOM 347 CB LYS A 942 -6.953 14.032 4.019 1.00 0.00 C ATOM 348 CG LYS A 942 -6.943 13.550 5.457 1.00 0.00 C ATOM 349 CD LYS A 942 -6.685 14.701 6.402 1.00 0.00 C ATOM 350 CE LYS A 942 -6.554 14.229 7.846 1.00 0.00 C ATOM 351 NZ LYS A 942 -7.747 13.466 8.304 1.00 0.00 N ATOM 0 H LYS A 942 -8.658 12.921 2.728 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.822 15.025 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.804 13.175 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.104 14.699 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.898 13.083 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.175 12.788 5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.773 15.218 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.499 15.422 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -5.667 13.603 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -6.407 15.092 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.933 13.680 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -8.573 13.737 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -7.570 12.447 8.195 1.00 0.00 H new ATOM 365 N ILE A 943 -7.175 15.888 1.732 1.00 0.00 N ATOM 366 CA ILE A 943 -6.649 17.038 1.005 1.00 0.00 C ATOM 367 C ILE A 943 -7.763 17.970 0.520 1.00 0.00 C ATOM 368 O ILE A 943 -7.548 19.175 0.393 1.00 0.00 O ATOM 369 CB ILE A 943 -5.777 16.606 -0.204 1.00 0.00 C ATOM 370 CG1 ILE A 943 -5.175 17.829 -0.906 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.583 15.773 -1.189 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.274 17.487 -2.076 1.00 0.00 C ATOM 0 H ILE A 943 -6.975 14.987 1.297 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.024 17.582 1.714 1.00 0.00 H new ATOM 0 HB ILE A 943 -4.962 15.990 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -5.985 18.468 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.605 18.408 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.948 15.484 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.955 14.878 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.425 16.359 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.888 18.405 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -3.442 16.875 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.843 16.935 -2.824 1.00 0.00 H new ATOM 384 N GLN A 944 -8.948 17.413 0.255 1.00 0.00 N ATOM 385 CA GLN A 944 -10.072 18.211 -0.237 1.00 0.00 C ATOM 386 C GLN A 944 -10.320 19.460 0.620 1.00 0.00 C ATOM 387 O GLN A 944 -10.238 20.572 0.101 1.00 0.00 O ATOM 388 CB GLN A 944 -11.343 17.368 -0.350 1.00 0.00 C ATOM 389 CG GLN A 944 -11.293 16.336 -1.461 1.00 0.00 C ATOM 390 CD GLN A 944 -12.536 15.474 -1.499 1.00 0.00 C ATOM 391 OE1 GLN A 944 -13.622 15.915 -1.121 1.00 0.00 O ATOM 392 NE2 GLN A 944 -12.388 14.244 -1.959 1.00 0.00 N ATOM 0 H GLN A 944 -9.152 16.421 0.372 1.00 0.00 H new ATOM 0 HA GLN A 944 -9.799 18.555 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.517 16.860 0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -12.193 18.029 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -11.175 16.842 -2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -10.417 15.701 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -11.469 13.920 -2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -13.192 13.619 -2.011 1.00 0.00 H new ATOM 401 N PRO A 945 -10.630 19.334 1.932 1.00 0.00 N ATOM 402 CA PRO A 945 -10.821 20.502 2.786 1.00 0.00 C ATOM 403 C PRO A 945 -9.554 20.938 3.535 1.00 0.00 C ATOM 404 O PRO A 945 -9.579 21.912 4.289 1.00 0.00 O ATOM 405 CB PRO A 945 -11.881 20.029 3.785 1.00 0.00 C ATOM 406 CG PRO A 945 -11.879 18.528 3.729 1.00 0.00 C ATOM 407 CD PRO A 945 -10.871 18.109 2.687 1.00 0.00 C ATOM 0 HA PRO A 945 -11.101 21.376 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -11.650 20.380 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -12.863 20.426 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.620 18.109 4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.870 18.153 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.956 17.732 3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.260 17.315 2.050 1.00 0.00 H new ATOM 415 N ALA A 946 -8.450 20.237 3.315 1.00 0.00 N ATOM 416 CA ALA A 946 -7.244 20.449 4.111 1.00 0.00 C ATOM 417 C ALA A 946 -6.310 21.500 3.528 1.00 0.00 C ATOM 418 O ALA A 946 -6.239 21.695 2.312 1.00 0.00 O ATOM 419 CB ALA A 946 -6.481 19.149 4.265 1.00 0.00 C ATOM 0 H ALA A 946 -8.362 19.519 2.596 1.00 0.00 H new ATOM 0 HA ALA A 946 -7.585 20.815 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -5.584 19.322 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -7.112 18.414 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -6.197 18.775 3.281 1.00 0.00 H new ATOM 425 N PRO A 947 -5.599 22.204 4.420 1.00 0.00 N ATOM 426 CA PRO A 947 -4.443 23.021 4.075 1.00 0.00 C ATOM 427 C PRO A 947 -3.177 22.157 4.050 1.00 0.00 C ATOM 428 O PRO A 947 -3.237 20.978 4.397 1.00 0.00 O ATOM 429 CB PRO A 947 -4.372 24.047 5.224 1.00 0.00 C ATOM 430 CG PRO A 947 -5.455 23.681 6.192 1.00 0.00 C ATOM 431 CD PRO A 947 -5.883 22.285 5.853 1.00 0.00 C ATOM 0 HA PRO A 947 -4.523 23.488 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.395 24.021 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.514 25.060 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -5.091 23.736 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.294 24.373 6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -5.324 21.541 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -6.939 22.121 6.067 1.00 0.00 H new ATOM 439 N PRO A 948 -2.014 22.715 3.657 1.00 0.00 N ATOM 440 CA PRO A 948 -0.737 21.977 3.651 1.00 0.00 C ATOM 441 C PRO A 948 -0.444 21.303 4.992 1.00 0.00 C ATOM 442 O PRO A 948 0.171 20.225 5.053 1.00 0.00 O ATOM 443 CB PRO A 948 0.312 23.059 3.354 1.00 0.00 C ATOM 444 CG PRO A 948 -0.402 24.363 3.506 1.00 0.00 C ATOM 445 CD PRO A 948 -1.838 24.089 3.171 1.00 0.00 C ATOM 0 HA PRO A 948 -0.746 21.167 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.153 22.990 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.716 22.948 2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.304 24.745 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 948 0.017 25.117 2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.512 24.786 3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.029 24.170 2.101 1.00 0.00 H new ATOM 453 N GLU A 949 -0.922 21.930 6.056 1.00 0.00 N ATOM 454 CA GLU A 949 -0.764 21.405 7.399 1.00 0.00 C ATOM 455 C GLU A 949 -1.361 20.006 7.515 1.00 0.00 C ATOM 456 O GLU A 949 -0.841 19.178 8.254 1.00 0.00 O ATOM 457 CB GLU A 949 -1.414 22.351 8.399 1.00 0.00 C ATOM 458 CG GLU A 949 -0.769 23.727 8.423 1.00 0.00 C ATOM 459 CD GLU A 949 -1.415 24.656 9.423 1.00 0.00 C ATOM 460 OE1 GLU A 949 -1.029 24.620 10.611 1.00 0.00 O ATOM 461 OE2 GLU A 949 -2.306 25.437 9.027 1.00 0.00 O ATOM 0 H GLU A 949 -1.428 22.814 6.011 1.00 0.00 H new ATOM 0 HA GLU A 949 0.301 21.329 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.471 22.456 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.357 21.912 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 949 0.290 23.623 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -0.831 24.170 7.429 1.00 0.00 H new ATOM 468 N GLU A 950 -2.442 19.741 6.771 1.00 0.00 N ATOM 469 CA GLU A 950 -3.041 18.406 6.738 1.00 0.00 C ATOM 470 C GLU A 950 -2.591 17.629 5.511 1.00 0.00 C ATOM 471 O GLU A 950 -2.982 16.480 5.328 1.00 0.00 O ATOM 472 CB GLU A 950 -4.565 18.448 6.760 1.00 0.00 C ATOM 473 CG GLU A 950 -5.177 18.596 8.149 1.00 0.00 C ATOM 474 CD GLU A 950 -4.762 19.867 8.864 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.409 20.916 8.652 1.00 0.00 O ATOM 476 OE2 GLU A 950 -3.798 19.822 9.654 1.00 0.00 O ATOM 0 H GLU A 950 -2.916 20.431 6.188 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.696 17.903 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -4.901 19.278 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -4.947 17.534 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.263 18.576 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -4.890 17.737 8.756 1.00 0.00 H new ATOM 483 N TYR A 951 -1.763 18.243 4.680 1.00 0.00 N ATOM 484 CA TYR A 951 -1.214 17.545 3.528 1.00 0.00 C ATOM 485 C TYR A 951 -0.308 16.422 3.996 1.00 0.00 C ATOM 486 O TYR A 951 -0.284 15.348 3.405 1.00 0.00 O ATOM 487 CB TYR A 951 -0.449 18.487 2.594 1.00 0.00 C ATOM 488 CG TYR A 951 -1.336 19.339 1.713 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.719 19.315 1.847 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.786 20.169 0.746 1.00 0.00 C ATOM 491 CE1 TYR A 951 -3.526 20.094 1.043 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.587 20.950 -0.062 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.956 20.910 0.091 1.00 0.00 C ATOM 494 OH TYR A 951 -3.762 21.688 -0.708 1.00 0.00 O ATOM 0 H TYR A 951 -1.459 19.212 4.779 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.048 17.134 2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.184 19.141 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.213 17.895 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -3.170 18.676 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.286 20.204 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -4.599 20.064 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -1.143 21.589 -0.811 1.00 0.00 H new ATOM 0 HH TYR A 951 -3.206 22.207 -1.327 1.00 0.00 H new ATOM 504 N VAL A 952 0.439 16.662 5.062 1.00 0.00 N ATOM 505 CA VAL A 952 1.224 15.583 5.651 1.00 0.00 C ATOM 506 C VAL A 952 0.357 14.636 6.520 1.00 0.00 C ATOM 507 O VAL A 952 0.486 13.426 6.398 1.00 0.00 O ATOM 508 CB VAL A 952 2.507 16.082 6.383 1.00 0.00 C ATOM 509 CG1 VAL A 952 2.268 17.379 7.141 1.00 0.00 C ATOM 510 CG2 VAL A 952 3.054 15.014 7.322 1.00 0.00 C ATOM 0 H VAL A 952 0.520 17.566 5.528 1.00 0.00 H new ATOM 0 HA VAL A 952 1.590 14.985 4.817 1.00 0.00 H new ATOM 0 HB VAL A 952 3.250 16.283 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 952 3.190 17.687 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.953 18.155 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.490 17.225 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.949 15.390 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 952 2.301 14.767 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.305 14.121 6.750 1.00 0.00 H new ATOM 520 N PRO A 953 -0.547 15.127 7.402 1.00 0.00 N ATOM 521 CA PRO A 953 -1.519 14.254 8.087 1.00 0.00 C ATOM 522 C PRO A 953 -2.351 13.391 7.143 1.00 0.00 C ATOM 523 O PRO A 953 -2.805 12.317 7.523 1.00 0.00 O ATOM 524 CB PRO A 953 -2.430 15.233 8.802 1.00 0.00 C ATOM 525 CG PRO A 953 -1.552 16.389 9.084 1.00 0.00 C ATOM 526 CD PRO A 953 -0.647 16.498 7.887 1.00 0.00 C ATOM 0 HA PRO A 953 -1.004 13.544 8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.279 15.517 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -2.836 14.806 9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.133 17.301 9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -0.979 16.235 9.998 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.064 17.161 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.330 16.899 8.159 1.00 0.00 H new ATOM 534 N MET A 954 -2.579 13.851 5.925 1.00 0.00 N ATOM 535 CA MET A 954 -3.337 13.048 4.983 1.00 0.00 C ATOM 536 C MET A 954 -2.482 11.881 4.508 1.00 0.00 C ATOM 537 O MET A 954 -2.969 10.766 4.300 1.00 0.00 O ATOM 538 CB MET A 954 -3.842 13.878 3.797 1.00 0.00 C ATOM 539 CG MET A 954 -2.817 14.157 2.722 1.00 0.00 C ATOM 540 SD MET A 954 -3.520 15.038 1.321 1.00 0.00 S ATOM 541 CE MET A 954 -2.202 14.886 0.122 1.00 0.00 C ATOM 0 H MET A 954 -2.259 14.753 5.572 1.00 0.00 H new ATOM 0 HA MET A 954 -4.220 12.664 5.494 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.687 13.359 3.345 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.217 14.829 4.174 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.001 14.743 3.145 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.389 13.215 2.378 1.00 0.00 H new ATOM 0 HE1 MET A 954 -1.952 15.872 -0.270 1.00 0.00 H new ATOM 0 HE2 MET A 954 -1.324 14.452 0.600 1.00 0.00 H new ATOM 0 HE3 MET A 954 -2.526 14.242 -0.695 1.00 0.00 H new ATOM 551 N VAL A 955 -1.198 12.142 4.319 1.00 0.00 N ATOM 552 CA VAL A 955 -0.262 11.071 4.047 1.00 0.00 C ATOM 553 C VAL A 955 -0.152 10.134 5.245 1.00 0.00 C ATOM 554 O VAL A 955 0.194 8.969 5.102 1.00 0.00 O ATOM 555 CB VAL A 955 1.136 11.577 3.633 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.093 11.662 4.812 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.690 10.679 2.550 1.00 0.00 C ATOM 0 H VAL A 955 -0.787 13.075 4.349 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.663 10.523 3.194 1.00 0.00 H new ATOM 0 HB VAL A 955 1.031 12.592 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.062 12.023 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.693 12.350 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 955 2.211 10.674 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.678 11.033 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.768 9.659 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.025 10.697 1.687 1.00 0.00 H new ATOM 567 N LYS A 956 -0.420 10.658 6.433 1.00 0.00 N ATOM 568 CA LYS A 956 -0.459 9.823 7.629 1.00 0.00 C ATOM 569 C LYS A 956 -1.476 8.707 7.431 1.00 0.00 C ATOM 570 O LYS A 956 -1.243 7.559 7.812 1.00 0.00 O ATOM 571 CB LYS A 956 -0.844 10.652 8.849 1.00 0.00 C ATOM 572 CG LYS A 956 -1.112 9.830 10.094 1.00 0.00 C ATOM 573 CD LYS A 956 -2.014 10.588 11.046 1.00 0.00 C ATOM 574 CE LYS A 956 -2.435 9.731 12.223 1.00 0.00 C ATOM 575 NZ LYS A 956 -3.496 10.389 13.028 1.00 0.00 N ATOM 0 H LYS A 956 -0.612 11.646 6.596 1.00 0.00 H new ATOM 0 HA LYS A 956 0.531 9.398 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.044 11.362 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.734 11.235 8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.577 8.883 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.171 9.591 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -1.496 11.475 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.899 10.932 10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.796 8.768 11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.570 9.530 12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.759 9.774 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -3.142 11.296 13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.330 10.558 12.431 1.00 0.00 H new ATOM 589 N GLU A 957 -2.598 9.073 6.828 1.00 0.00 N ATOM 590 CA GLU A 957 -3.646 8.121 6.503 1.00 0.00 C ATOM 591 C GLU A 957 -3.086 6.977 5.648 1.00 0.00 C ATOM 592 O GLU A 957 -3.336 5.805 5.928 1.00 0.00 O ATOM 593 CB GLU A 957 -4.792 8.826 5.764 1.00 0.00 C ATOM 594 CG GLU A 957 -5.189 10.176 6.357 1.00 0.00 C ATOM 595 CD GLU A 957 -5.852 10.083 7.719 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.245 9.524 8.654 1.00 0.00 O ATOM 597 OE2 GLU A 957 -6.990 10.583 7.861 1.00 0.00 O ATOM 0 H GLU A 957 -2.805 10.033 6.552 1.00 0.00 H new ATOM 0 HA GLU A 957 -4.033 7.701 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.502 8.971 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.664 8.172 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.299 10.800 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.868 10.678 5.668 1.00 0.00 H new ATOM 604 N VAL A 958 -2.298 7.313 4.621 1.00 0.00 N ATOM 605 CA VAL A 958 -1.654 6.284 3.796 1.00 0.00 C ATOM 606 C VAL A 958 -0.509 5.603 4.554 1.00 0.00 C ATOM 607 O VAL A 958 -0.124 4.479 4.236 1.00 0.00 O ATOM 608 CB VAL A 958 -1.122 6.838 2.445 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.090 7.853 1.871 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.261 7.447 2.584 1.00 0.00 C ATOM 0 H VAL A 958 -2.093 8.273 4.344 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.430 5.552 3.573 1.00 0.00 H new ATOM 0 HB VAL A 958 -1.040 5.995 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.702 8.231 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.057 7.379 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.208 8.680 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.593 7.821 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.226 8.270 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.959 6.688 2.938 1.00 0.00 H new ATOM 620 N GLY A 959 0.035 6.279 5.557 1.00 0.00 N ATOM 621 CA GLY A 959 1.091 5.683 6.350 1.00 0.00 C ATOM 622 C GLY A 959 0.564 4.547 7.195 1.00 0.00 C ATOM 623 O GLY A 959 1.170 3.476 7.270 1.00 0.00 O ATOM 0 H GLY A 959 -0.234 7.223 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.880 5.316 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.539 6.441 6.993 1.00 0.00 H new ATOM 627 N LEU A 960 -0.583 4.781 7.817 1.00 0.00 N ATOM 628 CA LEU A 960 -1.296 3.728 8.530 1.00 0.00 C ATOM 629 C LEU A 960 -1.750 2.635 7.574 1.00 0.00 C ATOM 630 O LEU A 960 -1.955 1.493 7.981 1.00 0.00 O ATOM 631 CB LEU A 960 -2.503 4.296 9.287 1.00 0.00 C ATOM 632 CG LEU A 960 -2.210 4.837 10.692 1.00 0.00 C ATOM 633 CD1 LEU A 960 -1.597 3.751 11.560 1.00 0.00 C ATOM 634 CD2 LEU A 960 -1.298 6.052 10.636 1.00 0.00 C ATOM 0 H LEU A 960 -1.041 5.692 7.843 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.605 3.294 9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.938 5.099 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -3.259 3.515 9.368 1.00 0.00 H new ATOM 0 HG LEU A 960 -3.155 5.149 11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -1.395 4.150 12.554 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -2.291 2.914 11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -0.665 3.408 11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -1.109 6.412 11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -0.354 5.777 10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -1.777 6.840 10.054 1.00 0.00 H new ATOM 646 N ALA A 961 -1.898 2.993 6.305 1.00 0.00 N ATOM 647 CA ALA A 961 -2.313 2.040 5.286 1.00 0.00 C ATOM 648 C ALA A 961 -1.312 0.899 5.154 1.00 0.00 C ATOM 649 O ALA A 961 -1.675 -0.262 5.336 1.00 0.00 O ATOM 650 CB ALA A 961 -2.491 2.731 3.948 1.00 0.00 C ATOM 0 H ALA A 961 -1.736 3.938 5.957 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.270 1.621 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.801 2.001 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.253 3.506 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.547 3.183 3.644 1.00 0.00 H new ATOM 656 N LEU A 962 -0.051 1.220 4.861 1.00 0.00 N ATOM 657 CA LEU A 962 0.974 0.187 4.756 1.00 0.00 C ATOM 658 C LEU A 962 1.291 -0.447 6.113 1.00 0.00 C ATOM 659 O LEU A 962 1.593 -1.631 6.181 1.00 0.00 O ATOM 660 CB LEU A 962 2.240 0.742 4.099 1.00 0.00 C ATOM 661 CG LEU A 962 3.501 -0.119 4.244 1.00 0.00 C ATOM 662 CD1 LEU A 962 3.354 -1.427 3.484 1.00 0.00 C ATOM 663 CD2 LEU A 962 4.725 0.643 3.758 1.00 0.00 C ATOM 0 H LEU A 962 0.279 2.171 4.695 1.00 0.00 H new ATOM 0 HA LEU A 962 0.575 -0.603 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 962 2.042 0.886 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.444 1.726 4.522 1.00 0.00 H new ATOM 0 HG LEU A 962 3.633 -0.352 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 962 4.261 -2.020 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 962 2.503 -1.983 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.193 -1.217 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 962 5.611 0.017 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 962 4.596 0.908 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 962 4.847 1.551 4.349 1.00 0.00 H new ATOM 675 N ARG A 963 1.239 0.324 7.192 1.00 0.00 N ATOM 676 CA ARG A 963 1.441 -0.242 8.533 1.00 0.00 C ATOM 677 C ARG A 963 0.412 -1.329 8.871 1.00 0.00 C ATOM 678 O ARG A 963 0.774 -2.446 9.247 1.00 0.00 O ATOM 679 CB ARG A 963 1.406 0.856 9.589 1.00 0.00 C ATOM 680 CG ARG A 963 2.577 1.819 9.496 1.00 0.00 C ATOM 681 CD ARG A 963 2.622 2.746 10.695 1.00 0.00 C ATOM 682 NE ARG A 963 2.715 2.000 11.947 1.00 0.00 N ATOM 683 CZ ARG A 963 2.551 2.543 13.151 1.00 0.00 C ATOM 684 NH1 ARG A 963 2.325 3.847 13.270 1.00 0.00 N ATOM 685 NH2 ARG A 963 2.614 1.780 14.234 1.00 0.00 N ATOM 0 H ARG A 963 1.062 1.328 7.174 1.00 0.00 H new ATOM 0 HA ARG A 963 2.424 -0.712 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 963 0.476 1.416 9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.399 0.398 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 963 3.509 1.257 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.496 2.407 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 963 3.477 3.416 10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 963 1.728 3.369 10.708 1.00 0.00 H new ATOM 0 HE ARG A 963 2.918 1.002 11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 963 2.277 4.434 12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 963 2.200 4.261 14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 963 2.788 0.779 14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 963 2.489 2.194 15.158 1.00 0.00 H new ATOM 699 N THR A 964 -0.866 -0.997 8.773 1.00 0.00 N ATOM 700 CA THR A 964 -1.926 -1.986 8.952 1.00 0.00 C ATOM 701 C THR A 964 -1.757 -3.134 7.946 1.00 0.00 C ATOM 702 O THR A 964 -2.005 -4.306 8.253 1.00 0.00 O ATOM 703 CB THR A 964 -3.313 -1.329 8.799 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.360 -0.131 9.588 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.422 -2.266 9.247 1.00 0.00 C ATOM 0 H THR A 964 -1.197 -0.054 8.571 1.00 0.00 H new ATOM 0 HA THR A 964 -1.853 -2.395 9.960 1.00 0.00 H new ATOM 0 HB THR A 964 -3.466 -1.097 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.874 0.584 9.126 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.386 -1.772 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.400 -3.172 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.277 -2.527 10.295 1.00 0.00 H new ATOM 713 N LEU A 965 -1.281 -2.779 6.759 1.00 0.00 N ATOM 714 CA LEU A 965 -0.963 -3.747 5.718 1.00 0.00 C ATOM 715 C LEU A 965 0.179 -4.668 6.179 1.00 0.00 C ATOM 716 O LEU A 965 0.251 -5.833 5.795 1.00 0.00 O ATOM 717 CB LEU A 965 -0.607 -2.984 4.429 1.00 0.00 C ATOM 718 CG LEU A 965 -0.231 -3.813 3.200 1.00 0.00 C ATOM 719 CD1 LEU A 965 1.208 -4.296 3.294 1.00 0.00 C ATOM 720 CD2 LEU A 965 -1.191 -4.980 3.026 1.00 0.00 C ATOM 0 H LEU A 965 -1.105 -1.811 6.491 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.823 -4.386 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.457 -2.356 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.225 -2.316 4.652 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.312 -3.176 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 965 1.453 -4.883 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.877 -3.437 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.327 -4.914 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.906 -5.557 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.151 -5.619 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.205 -4.601 2.899 1.00 0.00 H new ATOM 732 N LEU A 966 1.036 -4.137 7.038 1.00 0.00 N ATOM 733 CA LEU A 966 2.187 -4.881 7.547 1.00 0.00 C ATOM 734 C LEU A 966 1.706 -6.036 8.426 1.00 0.00 C ATOM 735 O LEU A 966 2.371 -7.065 8.544 1.00 0.00 O ATOM 736 CB LEU A 966 3.131 -3.961 8.332 1.00 0.00 C ATOM 737 CG LEU A 966 4.627 -4.108 8.013 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.133 -5.504 8.349 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.897 -3.781 6.551 1.00 0.00 C ATOM 0 H LEU A 966 0.958 -3.187 7.402 1.00 0.00 H new ATOM 0 HA LEU A 966 2.744 -5.285 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 966 2.839 -2.928 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.986 -4.146 9.396 1.00 0.00 H new ATOM 0 HG LEU A 966 5.170 -3.398 8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.194 -5.573 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.986 -5.698 9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.582 -6.241 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.962 -3.891 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 966 4.332 -4.463 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 966 4.591 -2.755 6.345 1.00 0.00 H new ATOM 751 N ALA A 967 0.543 -5.861 9.042 1.00 0.00 N ATOM 752 CA ALA A 967 -0.097 -6.953 9.771 1.00 0.00 C ATOM 753 C ALA A 967 -0.496 -8.064 8.797 1.00 0.00 C ATOM 754 O ALA A 967 -0.266 -9.249 9.046 1.00 0.00 O ATOM 755 CB ALA A 967 -1.307 -6.444 10.538 1.00 0.00 C ATOM 0 H ALA A 967 0.026 -4.982 9.053 1.00 0.00 H new ATOM 0 HA ALA A 967 0.611 -7.361 10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.771 -7.271 11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.992 -5.680 11.249 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.026 -6.015 9.840 1.00 0.00 H new ATOM 761 N THR A 968 -1.068 -7.659 7.668 1.00 0.00 N ATOM 762 CA THR A 968 -1.360 -8.589 6.583 1.00 0.00 C ATOM 763 C THR A 968 -0.081 -9.277 6.105 1.00 0.00 C ATOM 764 O THR A 968 -0.074 -10.472 5.800 1.00 0.00 O ATOM 765 CB THR A 968 -2.029 -7.866 5.403 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.399 -7.620 5.711 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.926 -8.672 4.119 1.00 0.00 C ATOM 0 H THR A 968 -1.338 -6.694 7.480 1.00 0.00 H new ATOM 0 HA THR A 968 -2.048 -9.342 6.968 1.00 0.00 H new ATOM 0 HB THR A 968 -1.507 -6.922 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.968 -8.051 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.410 -8.128 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.876 -8.831 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.417 -9.636 4.254 1.00 0.00 H new ATOM 775 N VAL A 969 0.994 -8.504 6.041 1.00 0.00 N ATOM 776 CA VAL A 969 2.308 -9.036 5.714 1.00 0.00 C ATOM 777 C VAL A 969 2.685 -10.195 6.640 1.00 0.00 C ATOM 778 O VAL A 969 3.383 -11.099 6.227 1.00 0.00 O ATOM 779 CB VAL A 969 3.402 -7.943 5.771 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.791 -8.536 5.576 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.141 -6.874 4.722 1.00 0.00 C ATOM 0 H VAL A 969 0.980 -7.499 6.213 1.00 0.00 H new ATOM 0 HA VAL A 969 2.249 -9.408 4.691 1.00 0.00 H new ATOM 0 HB VAL A 969 3.363 -7.488 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.536 -7.741 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 969 4.989 -9.265 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.844 -9.027 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.920 -6.113 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.145 -7.328 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.170 -6.413 4.906 1.00 0.00 H new ATOM 791 N ASP A 970 2.202 -10.175 7.877 1.00 0.00 N ATOM 792 CA ASP A 970 2.494 -11.250 8.835 1.00 0.00 C ATOM 793 C ASP A 970 1.706 -12.511 8.522 1.00 0.00 C ATOM 794 O ASP A 970 2.117 -13.599 8.883 1.00 0.00 O ATOM 795 CB ASP A 970 2.230 -10.770 10.267 1.00 0.00 C ATOM 796 CG ASP A 970 2.328 -11.872 11.309 1.00 0.00 C ATOM 797 OD1 ASP A 970 3.451 -12.174 11.765 1.00 0.00 O ATOM 798 OD2 ASP A 970 1.274 -12.419 11.699 1.00 0.00 O ATOM 0 H ASP A 970 1.608 -9.432 8.245 1.00 0.00 H new ATOM 0 HA ASP A 970 3.550 -11.505 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 970 2.943 -9.984 10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.236 -10.325 10.314 1.00 0.00 H new ATOM 803 N GLU A 971 0.593 -12.361 7.841 1.00 0.00 N ATOM 804 CA GLU A 971 -0.118 -13.520 7.300 1.00 0.00 C ATOM 805 C GLU A 971 0.673 -14.089 6.128 1.00 0.00 C ATOM 806 O GLU A 971 0.993 -15.285 6.050 1.00 0.00 O ATOM 807 CB GLU A 971 -1.509 -13.110 6.831 1.00 0.00 C ATOM 808 CG GLU A 971 -2.407 -12.664 7.959 1.00 0.00 C ATOM 809 CD GLU A 971 -2.956 -13.837 8.746 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.725 -14.640 8.167 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.623 -13.963 9.941 1.00 0.00 O ATOM 0 H GLU A 971 0.155 -11.461 7.644 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.219 -14.277 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.418 -12.301 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -1.974 -13.950 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.850 -12.008 8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.234 -12.080 7.555 1.00 0.00 H new ATOM 818 N SER A 972 1.004 -13.192 5.226 1.00 0.00 N ATOM 819 CA SER A 972 1.767 -13.520 4.043 1.00 0.00 C ATOM 820 C SER A 972 3.185 -13.972 4.410 1.00 0.00 C ATOM 821 O SER A 972 3.836 -14.660 3.638 1.00 0.00 O ATOM 822 CB SER A 972 1.786 -12.321 3.094 1.00 0.00 C ATOM 823 OG SER A 972 2.433 -12.635 1.873 1.00 0.00 O ATOM 0 H SER A 972 0.749 -12.207 5.294 1.00 0.00 H new ATOM 0 HA SER A 972 1.289 -14.356 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.764 -11.999 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.296 -11.485 3.573 1.00 0.00 H new ATOM 0 HG SER A 972 2.824 -11.822 1.491 1.00 0.00 H new ATOM 829 N LEU A 973 3.673 -13.545 5.568 1.00 0.00 N ATOM 830 CA LEU A 973 5.042 -13.837 5.988 1.00 0.00 C ATOM 831 C LEU A 973 5.286 -15.336 6.186 1.00 0.00 C ATOM 832 O LEU A 973 6.267 -15.839 5.665 1.00 0.00 O ATOM 833 CB LEU A 973 5.409 -13.060 7.258 1.00 0.00 C ATOM 834 CG LEU A 973 6.890 -13.097 7.639 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.733 -12.432 6.559 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.111 -12.414 8.982 1.00 0.00 C ATOM 0 H LEU A 973 3.139 -12.992 6.238 1.00 0.00 H new ATOM 0 HA LEU A 973 5.693 -13.508 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.110 -12.020 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.826 -13.458 8.089 1.00 0.00 H new ATOM 0 HG LEU A 973 7.199 -14.139 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.784 -12.467 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.596 -12.959 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.423 -11.394 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.170 -12.449 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 973 6.787 -11.375 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.534 -12.928 9.751 1.00 0.00 H new ATOM 848 N PRO A 974 4.446 -16.089 6.939 1.00 0.00 N ATOM 849 CA PRO A 974 4.544 -17.553 6.952 1.00 0.00 C ATOM 850 C PRO A 974 4.352 -18.121 5.552 1.00 0.00 C ATOM 851 O PRO A 974 4.872 -19.190 5.210 1.00 0.00 O ATOM 852 CB PRO A 974 3.408 -17.995 7.877 1.00 0.00 C ATOM 853 CG PRO A 974 3.148 -16.809 8.729 1.00 0.00 C ATOM 854 CD PRO A 974 3.412 -15.621 7.851 1.00 0.00 C ATOM 0 HA PRO A 974 5.519 -17.903 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.522 -18.280 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.696 -18.860 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.121 -16.806 9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 974 3.799 -16.803 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.515 -15.312 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.748 -14.761 8.431 1.00 0.00 H new ATOM 862 N VAL A 975 3.625 -17.376 4.726 1.00 0.00 N ATOM 863 CA VAL A 975 3.469 -17.755 3.323 1.00 0.00 C ATOM 864 C VAL A 975 4.752 -17.453 2.532 1.00 0.00 C ATOM 865 O VAL A 975 4.949 -17.953 1.429 1.00 0.00 O ATOM 866 CB VAL A 975 2.269 -17.045 2.668 1.00 0.00 C ATOM 867 CG1 VAL A 975 2.059 -17.559 1.258 1.00 0.00 C ATOM 868 CG2 VAL A 975 1.009 -17.240 3.498 1.00 0.00 C ATOM 0 H VAL A 975 3.141 -16.520 4.996 1.00 0.00 H new ATOM 0 HA VAL A 975 3.279 -18.828 3.299 1.00 0.00 H new ATOM 0 HB VAL A 975 2.485 -15.978 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 975 1.208 -17.048 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.953 -17.368 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.865 -18.631 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 975 0.174 -16.730 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.787 -18.304 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.162 -16.825 4.494 1.00 0.00 H new ATOM 878 N LEU A 976 5.620 -16.625 3.098 1.00 0.00 N ATOM 879 CA LEU A 976 6.916 -16.318 2.488 1.00 0.00 C ATOM 880 C LEU A 976 7.818 -17.556 2.413 1.00 0.00 C ATOM 881 O LEU A 976 8.254 -17.901 1.317 1.00 0.00 O ATOM 882 CB LEU A 976 7.597 -15.127 3.191 1.00 0.00 C ATOM 883 CG LEU A 976 9.112 -14.982 3.002 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.468 -13.534 2.702 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.859 -15.447 4.246 1.00 0.00 C ATOM 0 H LEU A 976 5.452 -16.149 3.984 1.00 0.00 H new ATOM 0 HA LEU A 976 6.734 -16.012 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.122 -14.210 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 976 7.394 -15.203 4.259 1.00 0.00 H new ATOM 0 HG LEU A 976 9.411 -15.608 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.546 -13.444 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.963 -13.217 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 976 9.150 -12.902 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.932 -15.335 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.552 -14.844 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.628 -16.495 4.439 1.00 0.00 H new ATOM 897 N PRO A 977 8.103 -18.281 3.525 1.00 0.00 N ATOM 898 CA PRO A 977 8.865 -19.531 3.435 1.00 0.00 C ATOM 899 C PRO A 977 8.112 -20.551 2.600 1.00 0.00 C ATOM 900 O PRO A 977 8.702 -21.446 2.001 1.00 0.00 O ATOM 901 CB PRO A 977 8.991 -20.009 4.886 1.00 0.00 C ATOM 902 CG PRO A 977 8.712 -18.807 5.711 1.00 0.00 C ATOM 903 CD PRO A 977 7.745 -17.981 4.916 1.00 0.00 C ATOM 0 HA PRO A 977 9.836 -19.394 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.282 -20.809 5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.987 -20.403 5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 977 8.288 -19.085 6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.627 -18.251 5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.712 -18.253 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.848 -16.919 5.137 1.00 0.00 H new ATOM 911 N ALA A 978 6.797 -20.392 2.566 1.00 0.00 N ATOM 912 CA ALA A 978 5.945 -21.233 1.752 1.00 0.00 C ATOM 913 C ALA A 978 6.167 -20.983 0.254 1.00 0.00 C ATOM 914 O ALA A 978 6.584 -21.885 -0.474 1.00 0.00 O ATOM 915 CB ALA A 978 4.489 -21.004 2.128 1.00 0.00 C ATOM 0 H ALA A 978 6.297 -19.680 3.099 1.00 0.00 H new ATOM 0 HA ALA A 978 6.206 -22.273 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.850 -21.639 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 978 4.342 -21.251 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 978 4.230 -19.958 1.961 1.00 0.00 H new ATOM 921 N SER A 979 5.904 -19.757 -0.200 1.00 0.00 N ATOM 922 CA SER A 979 5.933 -19.450 -1.630 1.00 0.00 C ATOM 923 C SER A 979 6.006 -17.940 -1.932 1.00 0.00 C ATOM 924 O SER A 979 6.854 -17.505 -2.708 1.00 0.00 O ATOM 925 CB SER A 979 4.695 -20.054 -2.293 1.00 0.00 C ATOM 926 OG SER A 979 4.852 -21.446 -2.505 1.00 0.00 O ATOM 0 H SER A 979 5.670 -18.965 0.398 1.00 0.00 H new ATOM 0 HA SER A 979 6.845 -19.887 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.821 -19.876 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.511 -19.557 -3.246 1.00 0.00 H new ATOM 0 HG SER A 979 5.555 -21.790 -1.915 1.00 0.00 H new ATOM 932 N THR A 980 5.120 -17.156 -1.313 1.00 0.00 N ATOM 933 CA THR A 980 4.952 -15.717 -1.620 1.00 0.00 C ATOM 934 C THR A 980 6.245 -14.896 -1.555 1.00 0.00 C ATOM 935 O THR A 980 6.276 -13.770 -2.050 1.00 0.00 O ATOM 936 CB THR A 980 3.905 -15.045 -0.714 1.00 0.00 C ATOM 937 OG1 THR A 980 3.481 -13.811 -1.306 1.00 0.00 O ATOM 938 CG2 THR A 980 4.472 -14.758 0.662 1.00 0.00 C ATOM 0 H THR A 980 4.494 -17.493 -0.582 1.00 0.00 H new ATOM 0 HA THR A 980 4.611 -15.718 -2.655 1.00 0.00 H new ATOM 0 HB THR A 980 3.062 -15.728 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 980 4.223 -13.419 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.709 -14.283 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.786 -15.692 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 980 5.330 -14.092 0.570 1.00 0.00 H new ATOM 946 N HIS A 981 7.293 -15.440 -0.932 1.00 0.00 N ATOM 947 CA HIS A 981 8.551 -14.708 -0.719 1.00 0.00 C ATOM 948 C HIS A 981 9.065 -14.007 -1.980 1.00 0.00 C ATOM 949 O HIS A 981 9.850 -13.071 -1.882 1.00 0.00 O ATOM 950 CB HIS A 981 9.649 -15.655 -0.204 1.00 0.00 C ATOM 951 CG HIS A 981 10.013 -16.776 -1.143 1.00 0.00 C ATOM 952 ND1 HIS A 981 9.680 -18.087 -0.903 1.00 0.00 N ATOM 953 CD2 HIS A 981 10.685 -16.776 -2.320 1.00 0.00 C ATOM 954 CE1 HIS A 981 10.126 -18.843 -1.886 1.00 0.00 C ATOM 955 NE2 HIS A 981 10.738 -18.074 -2.761 1.00 0.00 N ATOM 0 H HIS A 981 7.298 -16.391 -0.563 1.00 0.00 H new ATOM 0 HA HIS A 981 8.324 -13.941 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.545 -15.070 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.322 -16.085 0.743 1.00 0.00 H new ATOM 0 HD1 HIS A 981 9.166 -18.424 -0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 981 11.102 -15.913 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 981 10.009 -19.914 -1.961 1.00 0.00 H new ATOM 964 N ARG A 982 8.633 -14.434 -3.154 1.00 0.00 N ATOM 965 CA ARG A 982 9.104 -13.786 -4.369 1.00 0.00 C ATOM 966 C ARG A 982 8.392 -12.445 -4.572 1.00 0.00 C ATOM 967 O ARG A 982 9.042 -11.409 -4.733 1.00 0.00 O ATOM 968 CB ARG A 982 8.907 -14.677 -5.597 1.00 0.00 C ATOM 969 CG ARG A 982 9.650 -14.164 -6.821 1.00 0.00 C ATOM 970 CD ARG A 982 11.152 -14.211 -6.592 1.00 0.00 C ATOM 971 NE ARG A 982 11.898 -13.412 -7.560 1.00 0.00 N ATOM 972 CZ ARG A 982 13.116 -13.725 -8.001 1.00 0.00 C ATOM 973 NH1 ARG A 982 13.661 -14.896 -7.687 1.00 0.00 N ATOM 974 NH2 ARG A 982 13.767 -12.875 -8.788 1.00 0.00 N ATOM 0 H ARG A 982 7.977 -15.203 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 982 10.173 -13.609 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 982 9.248 -15.686 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.843 -14.744 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 982 9.390 -14.767 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.341 -13.142 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 982 11.373 -13.854 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 982 11.491 -15.246 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 982 11.461 -12.564 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 982 13.147 -15.559 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 982 14.593 -15.132 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 982 13.334 -11.990 -9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 982 14.700 -13.108 -9.129 1.00 0.00 H new ATOM 988 N GLU A 983 7.061 -12.452 -4.532 1.00 0.00 N ATOM 989 CA GLU A 983 6.315 -11.212 -4.717 1.00 0.00 C ATOM 990 C GLU A 983 6.347 -10.348 -3.476 1.00 0.00 C ATOM 991 O GLU A 983 6.429 -9.120 -3.566 1.00 0.00 O ATOM 992 CB GLU A 983 4.858 -11.440 -5.088 1.00 0.00 C ATOM 993 CG GLU A 983 4.464 -10.706 -6.352 1.00 0.00 C ATOM 994 CD GLU A 983 4.998 -11.345 -7.625 1.00 0.00 C ATOM 995 OE1 GLU A 983 6.122 -11.893 -7.612 1.00 0.00 O ATOM 996 OE2 GLU A 983 4.273 -11.331 -8.644 1.00 0.00 O ATOM 0 H GLU A 983 6.489 -13.282 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 983 6.815 -10.708 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.682 -12.507 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.221 -11.112 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.377 -10.658 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.826 -9.679 -6.293 1.00 0.00 H new ATOM 1003 N ILE A 984 6.255 -10.974 -2.314 1.00 0.00 N ATOM 1004 CA ILE A 984 6.200 -10.218 -1.079 1.00 0.00 C ATOM 1005 C ILE A 984 7.493 -9.432 -0.894 1.00 0.00 C ATOM 1006 O ILE A 984 7.508 -8.396 -0.248 1.00 0.00 O ATOM 1007 CB ILE A 984 5.912 -11.112 0.149 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.570 -10.247 1.365 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.097 -12.009 0.457 1.00 0.00 C ATOM 1010 CD1 ILE A 984 5.285 -11.044 2.621 1.00 0.00 C ATOM 0 H ILE A 984 6.217 -11.987 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 984 5.365 -9.521 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 984 5.057 -11.747 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 984 6.398 -9.565 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.700 -9.634 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.869 -12.628 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.302 -12.649 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.973 -11.395 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 984 5.051 -10.363 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.437 -11.707 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 984 6.161 -11.637 2.882 1.00 0.00 H new ATOM 1022 N GLU A 985 8.578 -9.907 -1.494 1.00 0.00 N ATOM 1023 CA GLU A 985 9.804 -9.130 -1.516 1.00 0.00 C ATOM 1024 C GLU A 985 9.699 -7.957 -2.484 1.00 0.00 C ATOM 1025 O GLU A 985 10.137 -6.858 -2.165 1.00 0.00 O ATOM 1026 CB GLU A 985 11.025 -9.986 -1.855 1.00 0.00 C ATOM 1027 CG GLU A 985 11.554 -10.772 -0.665 1.00 0.00 C ATOM 1028 CD GLU A 985 12.964 -11.283 -0.884 1.00 0.00 C ATOM 1029 OE1 GLU A 985 13.924 -10.531 -0.599 1.00 0.00 O ATOM 1030 OE2 GLU A 985 13.125 -12.433 -1.338 1.00 0.00 O ATOM 0 H GLU A 985 8.632 -10.811 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 985 9.942 -8.740 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.764 -10.680 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.817 -9.342 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.535 -10.138 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.892 -11.616 -0.468 1.00 0.00 H new ATOM 1037 N MET A 986 9.096 -8.164 -3.655 1.00 0.00 N ATOM 1038 CA MET A 986 9.101 -7.114 -4.671 1.00 0.00 C ATOM 1039 C MET A 986 8.203 -5.935 -4.284 1.00 0.00 C ATOM 1040 O MET A 986 8.648 -4.792 -4.284 1.00 0.00 O ATOM 1041 CB MET A 986 8.748 -7.643 -6.072 1.00 0.00 C ATOM 1042 CG MET A 986 7.317 -8.115 -6.256 1.00 0.00 C ATOM 1043 SD MET A 986 6.919 -8.431 -7.984 1.00 0.00 S ATOM 1044 CE MET A 986 8.208 -9.601 -8.409 1.00 0.00 C ATOM 0 H MET A 986 8.612 -9.022 -3.918 1.00 0.00 H new ATOM 0 HA MET A 986 10.126 -6.748 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.948 -6.855 -6.799 1.00 0.00 H new ATOM 0 HB3 MET A 986 9.417 -8.471 -6.307 1.00 0.00 H new ATOM 0 HG2 MET A 986 7.159 -9.025 -5.677 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.635 -7.363 -5.860 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.947 -10.109 -9.338 1.00 0.00 H new ATOM 0 HE2 MET A 986 9.152 -9.071 -8.538 1.00 0.00 H new ATOM 0 HE3 MET A 986 8.310 -10.336 -7.610 1.00 0.00 H new ATOM 1054 N ALA A 987 6.958 -6.215 -3.921 1.00 0.00 N ATOM 1055 CA ALA A 987 5.991 -5.172 -3.642 1.00 0.00 C ATOM 1056 C ALA A 987 6.182 -4.566 -2.265 1.00 0.00 C ATOM 1057 O ALA A 987 6.042 -3.368 -2.102 1.00 0.00 O ATOM 1058 CB ALA A 987 4.584 -5.701 -3.781 1.00 0.00 C ATOM 0 H ALA A 987 6.597 -7.163 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 987 6.155 -4.383 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.873 -4.903 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.430 -6.062 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.432 -6.520 -3.078 1.00 0.00 H new ATOM 1064 N GLN A 988 6.482 -5.391 -1.269 1.00 0.00 N ATOM 1065 CA GLN A 988 6.622 -4.885 0.096 1.00 0.00 C ATOM 1066 C GLN A 988 7.758 -3.862 0.194 1.00 0.00 C ATOM 1067 O GLN A 988 7.600 -2.803 0.804 1.00 0.00 O ATOM 1068 CB GLN A 988 6.868 -6.021 1.082 1.00 0.00 C ATOM 1069 CG GLN A 988 7.189 -5.557 2.491 1.00 0.00 C ATOM 1070 CD GLN A 988 7.613 -6.699 3.395 1.00 0.00 C ATOM 1071 OE1 GLN A 988 7.408 -6.656 4.605 1.00 0.00 O ATOM 1072 NE2 GLN A 988 8.205 -7.731 2.810 1.00 0.00 N ATOM 0 H GLN A 988 6.631 -6.395 -1.374 1.00 0.00 H new ATOM 0 HA GLN A 988 5.684 -4.393 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 988 5.985 -6.659 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.692 -6.634 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 988 7.985 -4.813 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.314 -5.066 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 988 8.357 -7.727 1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 988 8.509 -8.529 3.369 1.00 0.00 H new ATOM 1081 N LYS A 989 8.896 -4.176 -0.420 1.00 0.00 N ATOM 1082 CA LYS A 989 10.031 -3.256 -0.428 1.00 0.00 C ATOM 1083 C LYS A 989 9.693 -2.057 -1.293 1.00 0.00 C ATOM 1084 O LYS A 989 10.210 -0.957 -1.100 1.00 0.00 O ATOM 1085 CB LYS A 989 11.291 -3.938 -0.967 1.00 0.00 C ATOM 1086 CG LYS A 989 11.687 -5.193 -0.211 1.00 0.00 C ATOM 1087 CD LYS A 989 12.910 -5.843 -0.835 1.00 0.00 C ATOM 1088 CE LYS A 989 13.179 -7.213 -0.241 1.00 0.00 C ATOM 1089 NZ LYS A 989 14.315 -7.893 -0.918 1.00 0.00 N ATOM 0 H LYS A 989 9.057 -5.053 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 989 10.228 -2.938 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.133 -4.192 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 989 12.118 -3.229 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 989 11.894 -4.944 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 989 10.856 -5.899 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 989 12.765 -5.935 -1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.780 -5.203 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 989 13.397 -7.112 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 989 12.284 -7.829 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 14.342 -8.892 -0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 14.192 -7.831 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 15.207 -7.431 -0.648 1.00 0.00 H new ATOM 1103 N LEU A 990 8.799 -2.299 -2.236 1.00 0.00 N ATOM 1104 CA LEU A 990 8.321 -1.287 -3.153 1.00 0.00 C ATOM 1105 C LEU A 990 7.400 -0.309 -2.414 1.00 0.00 C ATOM 1106 O LEU A 990 7.454 0.901 -2.635 1.00 0.00 O ATOM 1107 CB LEU A 990 7.625 -2.016 -4.316 1.00 0.00 C ATOM 1108 CG LEU A 990 6.606 -1.237 -5.127 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.248 -0.018 -5.770 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.985 -2.129 -6.190 1.00 0.00 C ATOM 0 H LEU A 990 8.381 -3.217 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 990 9.134 -0.685 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.397 -2.371 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.128 -2.897 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 990 5.820 -0.895 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 990 6.500 0.526 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.652 0.633 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.054 -0.337 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.256 -1.557 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.765 -2.497 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.489 -2.973 -5.712 1.00 0.00 H new ATOM 1122 N LEU A 991 6.609 -0.846 -1.491 1.00 0.00 N ATOM 1123 CA LEU A 991 5.731 -0.044 -0.643 1.00 0.00 C ATOM 1124 C LEU A 991 6.530 0.918 0.207 1.00 0.00 C ATOM 1125 O LEU A 991 6.277 2.118 0.213 1.00 0.00 O ATOM 1126 CB LEU A 991 4.937 -0.947 0.296 1.00 0.00 C ATOM 1127 CG LEU A 991 4.058 -1.981 -0.384 1.00 0.00 C ATOM 1128 CD1 LEU A 991 3.913 -3.202 0.502 1.00 0.00 C ATOM 1129 CD2 LEU A 991 2.685 -1.406 -0.680 1.00 0.00 C ATOM 0 H LEU A 991 6.558 -1.848 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 991 5.061 0.511 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.636 -1.465 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.309 -0.321 0.930 1.00 0.00 H new ATOM 0 HG LEU A 991 4.531 -2.266 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.281 -3.938 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 991 4.896 -3.635 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.458 -2.912 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.071 -2.163 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.211 -1.099 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 991 2.786 -0.543 -1.338 1.00 0.00 H new ATOM 1141 N ASN A 992 7.499 0.375 0.932 1.00 0.00 N ATOM 1142 CA ASN A 992 8.270 1.157 1.883 1.00 0.00 C ATOM 1143 C ASN A 992 8.931 2.339 1.189 1.00 0.00 C ATOM 1144 O ASN A 992 8.982 3.438 1.728 1.00 0.00 O ATOM 1145 CB ASN A 992 9.326 0.276 2.558 1.00 0.00 C ATOM 1146 CG ASN A 992 10.082 0.999 3.656 1.00 0.00 C ATOM 1147 OD1 ASN A 992 9.542 1.883 4.325 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.333 0.621 3.860 1.00 0.00 N ATOM 0 H ASN A 992 7.769 -0.607 0.878 1.00 0.00 H new ATOM 0 HA ASN A 992 7.594 1.541 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 992 8.842 -0.606 2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.034 -0.075 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.887 1.065 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 992 11.744 -0.114 3.285 1.00 0.00 H new ATOM 1155 N SER A 993 9.385 2.117 -0.034 1.00 0.00 N ATOM 1156 CA SER A 993 10.106 3.138 -0.768 1.00 0.00 C ATOM 1157 C SER A 993 9.203 4.283 -1.235 1.00 0.00 C ATOM 1158 O SER A 993 9.613 5.441 -1.187 1.00 0.00 O ATOM 1159 CB SER A 993 10.842 2.510 -1.952 1.00 0.00 C ATOM 1160 OG SER A 993 10.038 1.550 -2.617 1.00 0.00 O ATOM 0 H SER A 993 9.266 1.238 -0.537 1.00 0.00 H new ATOM 0 HA SER A 993 10.831 3.577 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.134 3.290 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 993 11.759 2.037 -1.601 1.00 0.00 H new ATOM 0 HG SER A 993 9.092 1.739 -2.444 1.00 0.00 H new ATOM 1166 N ASP A 994 7.972 3.990 -1.657 1.00 0.00 N ATOM 1167 CA ASP A 994 7.146 5.040 -2.260 1.00 0.00 C ATOM 1168 C ASP A 994 6.020 5.509 -1.341 1.00 0.00 C ATOM 1169 O ASP A 994 5.632 6.677 -1.391 1.00 0.00 O ATOM 1170 CB ASP A 994 6.608 4.621 -3.626 1.00 0.00 C ATOM 1171 CG ASP A 994 7.627 4.846 -4.730 1.00 0.00 C ATOM 1172 OD1 ASP A 994 7.790 6.005 -5.172 1.00 0.00 O ATOM 1173 OD2 ASP A 994 8.280 3.869 -5.167 1.00 0.00 O ATOM 0 H ASP A 994 7.536 3.070 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 994 7.805 5.896 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.329 3.568 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.702 5.185 -3.848 1.00 0.00 H new ATOM 1178 N LEU A 995 5.493 4.627 -0.494 1.00 0.00 N ATOM 1179 CA LEU A 995 4.567 5.061 0.548 1.00 0.00 C ATOM 1180 C LEU A 995 5.272 6.069 1.450 1.00 0.00 C ATOM 1181 O LEU A 995 4.727 7.123 1.774 1.00 0.00 O ATOM 1182 CB LEU A 995 4.041 3.872 1.376 1.00 0.00 C ATOM 1183 CG LEU A 995 2.856 4.186 2.291 1.00 0.00 C ATOM 1184 CD1 LEU A 995 1.685 3.271 1.968 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.262 4.049 3.750 1.00 0.00 C ATOM 0 H LEU A 995 5.687 3.626 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 995 3.703 5.527 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.750 3.075 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 995 4.858 3.486 1.986 1.00 0.00 H new ATOM 0 HG LEU A 995 2.544 5.216 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.848 3.505 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.383 3.419 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 995 1.983 2.233 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.408 4.276 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.597 3.029 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 995 4.073 4.744 3.969 1.00 0.00 H new ATOM 1197 N ALA A 996 6.505 5.738 1.830 1.00 0.00 N ATOM 1198 CA ALA A 996 7.329 6.656 2.613 1.00 0.00 C ATOM 1199 C ALA A 996 7.676 7.898 1.803 1.00 0.00 C ATOM 1200 O ALA A 996 7.655 9.014 2.329 1.00 0.00 O ATOM 1201 CB ALA A 996 8.593 5.978 3.118 1.00 0.00 C ATOM 0 H ALA A 996 6.952 4.848 1.610 1.00 0.00 H new ATOM 0 HA ALA A 996 6.745 6.961 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.182 6.690 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 996 8.324 5.132 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.180 5.625 2.270 1.00 0.00 H new ATOM 1207 N GLU A 997 8.017 7.703 0.530 1.00 0.00 N ATOM 1208 CA GLU A 997 8.247 8.826 -0.372 1.00 0.00 C ATOM 1209 C GLU A 997 7.064 9.781 -0.368 1.00 0.00 C ATOM 1210 O GLU A 997 7.254 10.985 -0.344 1.00 0.00 O ATOM 1211 CB GLU A 997 8.532 8.338 -1.800 1.00 0.00 C ATOM 1212 CG GLU A 997 8.461 9.428 -2.873 1.00 0.00 C ATOM 1213 CD GLU A 997 9.623 10.411 -2.842 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.261 10.577 -1.782 1.00 0.00 O ATOM 1215 OE2 GLU A 997 9.909 11.026 -3.897 1.00 0.00 O ATOM 0 H GLU A 997 8.139 6.784 0.104 1.00 0.00 H new ATOM 0 HA GLU A 997 9.124 9.363 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.524 7.887 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.819 7.553 -2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.426 8.955 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 997 7.529 9.980 -2.753 1.00 0.00 H new ATOM 1222 N LEU A 998 5.850 9.264 -0.356 1.00 0.00 N ATOM 1223 CA LEU A 998 4.690 10.136 -0.323 1.00 0.00 C ATOM 1224 C LEU A 998 4.608 10.856 1.022 1.00 0.00 C ATOM 1225 O LEU A 998 4.291 12.040 1.078 1.00 0.00 O ATOM 1226 CB LEU A 998 3.396 9.367 -0.601 1.00 0.00 C ATOM 1227 CG LEU A 998 2.144 10.245 -0.700 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.304 11.297 -1.786 1.00 0.00 C ATOM 1229 CD2 LEU A 998 0.910 9.397 -0.961 1.00 0.00 C ATOM 0 H LEU A 998 5.642 8.265 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 998 4.807 10.876 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.510 8.813 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.248 8.632 0.190 1.00 0.00 H new ATOM 0 HG LEU A 998 2.016 10.755 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.402 11.908 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.159 11.932 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.465 10.807 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.033 10.041 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.033 8.854 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.777 8.687 -0.145 1.00 0.00 H new ATOM 1241 N ILE A 999 4.932 10.145 2.100 1.00 0.00 N ATOM 1242 CA ILE A 999 4.903 10.723 3.442 1.00 0.00 C ATOM 1243 C ILE A 999 5.812 11.943 3.521 1.00 0.00 C ATOM 1244 O ILE A 999 5.395 13.025 3.931 1.00 0.00 O ATOM 1245 CB ILE A 999 5.325 9.692 4.515 1.00 0.00 C ATOM 1246 CG1 ILE A 999 4.348 8.514 4.531 1.00 0.00 C ATOM 1247 CG2 ILE A 999 5.395 10.343 5.891 1.00 0.00 C ATOM 1248 CD1 ILE A 999 4.723 7.422 5.511 1.00 0.00 C ATOM 0 H ILE A 999 5.218 9.166 2.070 1.00 0.00 H new ATOM 0 HA ILE A 999 3.875 11.025 3.642 1.00 0.00 H new ATOM 0 HB ILE A 999 6.318 9.320 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 999 3.352 8.883 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.292 8.087 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.694 9.600 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 999 6.125 11.152 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.416 10.744 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 999 3.984 6.622 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.705 7.024 5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.751 7.833 6.520 1.00 0.00 H new ATOM 1260 N ASN A1000 7.042 11.762 3.083 1.00 0.00 N ATOM 1261 CA ASN A1000 8.041 12.822 3.106 1.00 0.00 C ATOM 1262 C ASN A1000 7.821 13.785 1.956 1.00 0.00 C ATOM 1263 O ASN A1000 8.406 14.852 1.931 1.00 0.00 O ATOM 1264 CB ASN A1000 9.438 12.194 3.031 1.00 0.00 C ATOM 1265 CG ASN A1000 10.098 12.332 1.668 1.00 0.00 C ATOM 1266 OD1 ASN A1000 11.008 13.139 1.479 1.00 0.00 O ATOM 1267 ND2 ASN A1000 9.603 11.582 0.702 1.00 0.00 N ATOM 0 H ASN A1000 7.381 10.879 2.701 1.00 0.00 H new ATOM 0 HA ASN A1000 7.951 13.387 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A1000 10.076 12.659 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A1000 9.365 11.136 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A1000 9.975 11.659 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A1000 8.848 10.925 0.902 1.00 0.00 H new ATOM 1274 N LYS A1001 6.968 13.405 1.018 1.00 0.00 N ATOM 1275 CA LYS A1001 6.653 14.265 -0.112 1.00 0.00 C ATOM 1276 C LYS A1001 5.562 15.238 0.282 1.00 0.00 C ATOM 1277 O LYS A1001 5.528 16.368 -0.191 1.00 0.00 O ATOM 1278 CB LYS A1001 6.223 13.457 -1.337 1.00 0.00 C ATOM 1279 CG LYS A1001 6.878 13.931 -2.624 1.00 0.00 C ATOM 1280 CD LYS A1001 8.385 14.043 -2.456 1.00 0.00 C ATOM 1281 CE LYS A1001 9.070 14.507 -3.729 1.00 0.00 C ATOM 1282 NZ LYS A1001 9.116 13.442 -4.762 1.00 0.00 N ATOM 0 H LYS A1001 6.482 12.508 1.016 1.00 0.00 H new ATOM 0 HA LYS A1001 7.555 14.813 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.468 12.407 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.140 13.519 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.649 13.235 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.467 14.899 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.608 14.742 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.789 13.075 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.544 15.374 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.085 14.829 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 9.970 13.560 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.138 12.511 -4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 8.273 13.509 -5.367 1.00 0.00 H new ATOM 1296 N MET A1002 4.668 14.790 1.152 1.00 0.00 N ATOM 1297 CA MET A1002 3.644 15.650 1.695 1.00 0.00 C ATOM 1298 C MET A1002 4.252 16.496 2.777 1.00 0.00 C ATOM 1299 O MET A1002 3.949 17.680 2.908 1.00 0.00 O ATOM 1300 CB MET A1002 2.498 14.821 2.244 1.00 0.00 C ATOM 1301 CG MET A1002 1.907 13.888 1.213 1.00 0.00 C ATOM 1302 SD MET A1002 1.650 14.698 -0.376 1.00 0.00 S ATOM 1303 CE MET A1002 0.844 16.222 0.117 1.00 0.00 C ATOM 0 H MET A1002 4.637 13.830 1.494 1.00 0.00 H new ATOM 0 HA MET A1002 3.245 16.293 0.911 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.851 14.239 3.095 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.719 15.487 2.615 1.00 0.00 H new ATOM 0 HG2 MET A1002 2.569 13.032 1.079 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.956 13.501 1.579 1.00 0.00 H new ATOM 0 HE1 MET A1002 0.163 16.544 -0.670 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.283 16.056 1.037 1.00 0.00 H new ATOM 0 HE3 MET A1002 1.596 16.993 0.285 1.00 0.00 H new ATOM 1313 N LYS A1003 5.121 15.862 3.547 1.00 0.00 N ATOM 1314 CA LYS A1003 5.963 16.565 4.478 1.00 0.00 C ATOM 1315 C LYS A1003 6.747 17.622 3.716 1.00 0.00 C ATOM 1316 O LYS A1003 6.769 18.770 4.114 1.00 0.00 O ATOM 1317 CB LYS A1003 6.903 15.582 5.187 1.00 0.00 C ATOM 1318 CG LYS A1003 7.864 16.246 6.158 1.00 0.00 C ATOM 1319 CD LYS A1003 8.612 15.224 6.995 1.00 0.00 C ATOM 1320 CE LYS A1003 9.463 15.896 8.057 1.00 0.00 C ATOM 1321 NZ LYS A1003 10.109 14.906 8.953 1.00 0.00 N ATOM 0 H LYS A1003 5.256 14.851 3.539 1.00 0.00 H new ATOM 0 HA LYS A1003 5.357 17.050 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A1003 6.306 14.847 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A1003 7.477 15.037 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A1003 8.578 16.855 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A1003 7.312 16.919 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A1003 7.900 14.549 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A1003 9.246 14.616 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A1003 10.228 16.506 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A1003 8.842 16.570 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 10.681 15.403 9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 9.378 14.341 9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 10.721 14.279 8.393 1.00 0.00 H new ATOM 1335 N LEU A1004 7.396 17.202 2.630 1.00 0.00 N ATOM 1336 CA LEU A1004 8.111 18.101 1.717 1.00 0.00 C ATOM 1337 C LEU A1004 7.219 19.199 1.131 1.00 0.00 C ATOM 1338 O LEU A1004 7.619 20.357 1.080 1.00 0.00 O ATOM 1339 CB LEU A1004 8.721 17.292 0.576 1.00 0.00 C ATOM 1340 CG LEU A1004 9.844 17.982 -0.194 1.00 0.00 C ATOM 1341 CD1 LEU A1004 11.024 18.264 0.722 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.277 17.135 -1.378 1.00 0.00 C ATOM 0 H LEU A1004 7.442 16.221 2.355 1.00 0.00 H new ATOM 0 HA LEU A1004 8.886 18.593 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A1004 9.105 16.356 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.929 17.033 -0.126 1.00 0.00 H new ATOM 0 HG LEU A1004 9.468 18.933 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A1004 11.815 18.756 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A1004 10.705 18.912 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A1004 11.400 17.326 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.078 17.643 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.634 16.168 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.430 16.985 -2.047 1.00 0.00 H new ATOM 1354 N ALA A1005 6.033 18.841 0.662 1.00 0.00 N ATOM 1355 CA ALA A1005 5.110 19.827 0.108 1.00 0.00 C ATOM 1356 C ALA A1005 4.745 20.859 1.161 1.00 0.00 C ATOM 1357 O ALA A1005 4.753 22.063 0.908 1.00 0.00 O ATOM 1358 CB ALA A1005 3.859 19.151 -0.433 1.00 0.00 C ATOM 0 H ALA A1005 5.686 17.882 0.653 1.00 0.00 H new ATOM 0 HA ALA A1005 5.606 20.335 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.186 19.905 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.136 18.449 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.358 18.615 0.373 1.00 0.00 H new ATOM 1364 N GLN A1006 4.460 20.374 2.354 1.00 0.00 N ATOM 1365 CA GLN A1006 4.154 21.234 3.477 1.00 0.00 C ATOM 1366 C GLN A1006 5.451 21.844 4.021 1.00 0.00 C ATOM 1367 O GLN A1006 5.439 22.774 4.823 1.00 0.00 O ATOM 1368 CB GLN A1006 3.385 20.414 4.531 1.00 0.00 C ATOM 1369 CG GLN A1006 4.231 19.738 5.599 1.00 0.00 C ATOM 1370 CD GLN A1006 4.550 20.643 6.771 1.00 0.00 C ATOM 1371 OE1 GLN A1006 3.794 21.561 7.091 1.00 0.00 O ATOM 1372 NE2 GLN A1006 5.656 20.370 7.435 1.00 0.00 N ATOM 0 H GLN A1006 4.434 19.377 2.570 1.00 0.00 H new ATOM 0 HA GLN A1006 3.516 22.066 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A1006 2.671 21.073 5.025 1.00 0.00 H new ATOM 0 HB3 GLN A1006 2.807 19.648 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A1006 3.707 18.855 5.963 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.163 19.393 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A1006 6.254 19.600 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A1006 5.914 20.929 8.248 1.00 0.00 H new ATOM 1381 N GLN A1007 6.569 21.316 3.534 1.00 0.00 N ATOM 1382 CA GLN A1007 7.897 21.754 3.937 1.00 0.00 C ATOM 1383 C GLN A1007 8.355 22.916 3.062 1.00 0.00 C ATOM 1384 O GLN A1007 9.290 23.640 3.403 1.00 0.00 O ATOM 1385 CB GLN A1007 8.886 20.582 3.810 1.00 0.00 C ATOM 1386 CG GLN A1007 10.090 20.662 4.728 1.00 0.00 C ATOM 1387 CD GLN A1007 9.706 20.741 6.192 1.00 0.00 C ATOM 1388 OE1 GLN A1007 10.423 21.332 6.999 1.00 0.00 O ATOM 1389 NE2 GLN A1007 8.576 20.148 6.548 1.00 0.00 N ATOM 0 H GLN A1007 6.577 20.566 2.843 1.00 0.00 H new ATOM 0 HA GLN A1007 7.863 22.088 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.354 19.653 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.236 20.531 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.721 19.788 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.685 21.537 4.465 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.009 19.668 5.849 1.00 0.00 H new ATOM 0 HE22 GLN A1007 8.273 20.171 7.522 1.00 0.00 H new ATOM 1398 N TYR A1008 7.680 23.081 1.935 1.00 0.00 N ATOM 1399 CA TYR A1008 8.040 24.090 0.949 1.00 0.00 C ATOM 1400 C TYR A1008 6.814 24.928 0.589 1.00 0.00 C ATOM 1401 O TYR A1008 6.832 25.708 -0.363 1.00 0.00 O ATOM 1402 CB TYR A1008 8.625 23.380 -0.282 1.00 0.00 C ATOM 1403 CG TYR A1008 8.990 24.271 -1.456 1.00 0.00 C ATOM 1404 CD1 TYR A1008 9.996 25.223 -1.356 1.00 0.00 C ATOM 1405 CD2 TYR A1008 8.335 24.133 -2.675 1.00 0.00 C ATOM 1406 CE1 TYR A1008 10.335 26.017 -2.438 1.00 0.00 C ATOM 1407 CE2 TYR A1008 8.668 24.923 -3.759 1.00 0.00 C ATOM 1408 CZ TYR A1008 9.670 25.862 -3.637 1.00 0.00 C ATOM 1409 OH TYR A1008 10.006 26.650 -4.717 1.00 0.00 O ATOM 0 H TYR A1008 6.868 22.520 1.678 1.00 0.00 H new ATOM 0 HA TYR A1008 8.790 24.770 1.352 1.00 0.00 H new ATOM 0 HB2 TYR A1008 9.518 22.837 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A1008 7.904 22.638 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A1008 10.522 25.346 -0.420 1.00 0.00 H new ATOM 0 HD2 TYR A1008 7.552 23.396 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A1008 11.117 26.755 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A1008 8.146 24.805 -4.697 1.00 0.00 H new ATOM 0 HH TYR A1008 9.443 26.412 -5.483 1.00 0.00 H new ATOM 1496 N GLN A1014 4.033 26.172 -4.237 1.00 0.00 N ATOM 1497 CA GLN A1014 3.651 25.007 -3.449 1.00 0.00 C ATOM 1498 C GLN A1014 3.183 23.884 -4.372 1.00 0.00 C ATOM 1499 O GLN A1014 3.472 22.712 -4.134 1.00 0.00 O ATOM 1500 CB GLN A1014 2.549 25.384 -2.447 1.00 0.00 C ATOM 1501 CG GLN A1014 2.375 24.406 -1.293 1.00 0.00 C ATOM 1502 CD GLN A1014 1.315 23.355 -1.558 1.00 0.00 C ATOM 1503 OE1 GLN A1014 0.140 23.558 -1.265 1.00 0.00 O ATOM 1504 NE2 GLN A1014 1.718 22.225 -2.107 1.00 0.00 N ATOM 0 HA GLN A1014 4.517 24.655 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.770 26.370 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.603 25.465 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.327 23.912 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.112 24.960 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.703 22.092 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A1014 1.045 21.484 -2.302 1.00 0.00 H new ATOM 1513 N GLN A1015 2.493 24.261 -5.446 1.00 0.00 N ATOM 1514 CA GLN A1015 1.946 23.290 -6.385 1.00 0.00 C ATOM 1515 C GLN A1015 3.051 22.461 -7.039 1.00 0.00 C ATOM 1516 O GLN A1015 2.831 21.306 -7.386 1.00 0.00 O ATOM 1517 CB GLN A1015 1.089 23.968 -7.454 1.00 0.00 C ATOM 1518 CG GLN A1015 1.858 24.898 -8.376 1.00 0.00 C ATOM 1519 CD GLN A1015 0.981 25.483 -9.459 1.00 0.00 C ATOM 1520 OE1 GLN A1015 0.390 26.550 -9.290 1.00 0.00 O ATOM 1521 NE2 GLN A1015 0.885 24.787 -10.580 1.00 0.00 N ATOM 0 H GLN A1015 2.300 25.233 -5.686 1.00 0.00 H new ATOM 0 HA GLN A1015 1.308 22.617 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A1015 0.604 23.199 -8.055 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.298 24.535 -6.963 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.297 25.706 -7.790 1.00 0.00 H new ATOM 0 HG3 GLN A1015 2.683 24.352 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A1015 1.392 23.907 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A1015 0.304 25.130 -11.345 1.00 0.00 H new ATOM 1530 N GLU A1016 4.223 23.061 -7.240 1.00 0.00 N ATOM 1531 CA GLU A1016 5.394 22.307 -7.696 1.00 0.00 C ATOM 1532 C GLU A1016 5.630 21.061 -6.840 1.00 0.00 C ATOM 1533 O GLU A1016 5.900 19.983 -7.366 1.00 0.00 O ATOM 1534 CB GLU A1016 6.651 23.181 -7.701 1.00 0.00 C ATOM 1535 CG GLU A1016 7.903 22.406 -8.077 1.00 0.00 C ATOM 1536 CD GLU A1016 9.082 23.296 -8.392 1.00 0.00 C ATOM 1537 OE1 GLU A1016 9.170 23.782 -9.539 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.938 23.497 -7.510 1.00 0.00 O ATOM 0 H GLU A1016 4.389 24.057 -7.097 1.00 0.00 H new ATOM 0 HA GLU A1016 5.186 21.988 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.514 24.004 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.785 23.623 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A1016 8.169 21.738 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A1016 7.688 21.779 -8.942 1.00 0.00 H new ATOM 1545 N TYR A1017 5.500 21.198 -5.531 1.00 0.00 N ATOM 1546 CA TYR A1017 5.672 20.059 -4.641 1.00 0.00 C ATOM 1547 C TYR A1017 4.368 19.273 -4.532 1.00 0.00 C ATOM 1548 O TYR A1017 4.359 18.102 -4.157 1.00 0.00 O ATOM 1549 CB TYR A1017 6.167 20.512 -3.258 1.00 0.00 C ATOM 1550 CG TYR A1017 7.666 20.725 -3.189 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.398 21.028 -4.333 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.358 20.600 -1.985 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.765 21.212 -4.281 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.727 20.782 -1.933 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.423 21.083 -3.081 1.00 0.00 C ATOM 1556 OH TYR A1017 11.785 21.264 -3.026 1.00 0.00 O ATOM 0 H TYR A1017 5.278 22.077 -5.063 1.00 0.00 H new ATOM 0 HA TYR A1017 6.433 19.401 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.664 21.440 -2.988 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.880 19.766 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.887 21.121 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.817 20.358 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.315 21.456 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.250 20.688 -0.993 1.00 0.00 H new ATOM 0 HH TYR A1017 12.095 21.139 -2.105 1.00 0.00 H new ATOM 1566 N LYS A1018 3.270 19.929 -4.883 1.00 0.00 N ATOM 1567 CA LYS A1018 1.957 19.295 -4.890 1.00 0.00 C ATOM 1568 C LYS A1018 1.791 18.359 -6.095 1.00 0.00 C ATOM 1569 O LYS A1018 1.091 17.354 -6.014 1.00 0.00 O ATOM 1570 CB LYS A1018 0.863 20.369 -4.888 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.552 19.816 -4.928 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.580 20.930 -4.846 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.990 20.415 -5.087 1.00 0.00 C ATOM 1574 NZ LYS A1018 -3.143 19.841 -6.451 1.00 0.00 N ATOM 0 H LYS A1018 3.263 20.908 -5.169 1.00 0.00 H new ATOM 0 HA LYS A1018 1.866 18.688 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A1018 0.975 20.985 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.010 21.023 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.698 19.250 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.697 19.122 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.528 21.401 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.343 21.698 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -3.231 19.655 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -3.702 21.229 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -4.153 19.783 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -2.657 20.450 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -2.726 18.889 -6.476 1.00 0.00 H new ATOM 1588 N LYS A1019 2.421 18.689 -7.217 1.00 0.00 N ATOM 1589 CA LYS A1019 2.380 17.806 -8.379 1.00 0.00 C ATOM 1590 C LYS A1019 3.323 16.628 -8.162 1.00 0.00 C ATOM 1591 O LYS A1019 3.003 15.495 -8.518 1.00 0.00 O ATOM 1592 CB LYS A1019 2.705 18.559 -9.678 1.00 0.00 C ATOM 1593 CG LYS A1019 4.079 19.204 -9.714 1.00 0.00 C ATOM 1594 CD LYS A1019 4.273 20.016 -10.983 1.00 0.00 C ATOM 1595 CE LYS A1019 4.264 19.138 -12.226 1.00 0.00 C ATOM 1596 NZ LYS A1019 5.434 18.220 -12.283 1.00 0.00 N ATOM 0 H LYS A1019 2.958 19.546 -7.347 1.00 0.00 H new ATOM 0 HA LYS A1019 1.365 17.425 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A1019 2.623 17.864 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS A1019 1.952 19.332 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A1019 4.203 19.849 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A1019 4.847 18.433 -9.652 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.483 20.763 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A1019 5.218 20.556 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.345 18.552 -12.247 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.259 19.770 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.475 17.768 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 6.308 18.760 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.338 17.489 -11.549 1.00 0.00 H new ATOM 1610 N GLN A1020 4.499 16.912 -7.603 1.00 0.00 N ATOM 1611 CA GLN A1020 5.369 15.863 -7.068 1.00 0.00 C ATOM 1612 C GLN A1020 4.575 14.913 -6.170 1.00 0.00 C ATOM 1613 O GLN A1020 4.773 13.700 -6.209 1.00 0.00 O ATOM 1614 CB GLN A1020 6.533 16.474 -6.288 1.00 0.00 C ATOM 1615 CG GLN A1020 7.493 17.266 -7.159 1.00 0.00 C ATOM 1616 CD GLN A1020 8.609 17.919 -6.367 1.00 0.00 C ATOM 1617 OE1 GLN A1020 9.029 17.416 -5.326 1.00 0.00 O ATOM 1618 NE2 GLN A1020 9.096 19.048 -6.856 1.00 0.00 N ATOM 0 H GLN A1020 4.871 17.857 -7.509 1.00 0.00 H new ATOM 0 HA GLN A1020 5.772 15.296 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.137 17.127 -5.510 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.082 15.677 -5.786 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.926 16.603 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A1020 6.938 18.035 -7.696 1.00 0.00 H new ATOM 0 HE21 GLN A1020 8.720 19.432 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A1020 9.847 19.534 -6.366 1.00 0.00 H new ATOM 1627 N MET A1021 3.673 15.477 -5.372 1.00 0.00 N ATOM 1628 CA MET A1021 2.750 14.684 -4.562 1.00 0.00 C ATOM 1629 C MET A1021 1.923 13.743 -5.429 1.00 0.00 C ATOM 1630 O MET A1021 1.790 12.561 -5.121 1.00 0.00 O ATOM 1631 CB MET A1021 1.828 15.603 -3.750 1.00 0.00 C ATOM 1632 CG MET A1021 0.527 14.945 -3.290 1.00 0.00 C ATOM 1633 SD MET A1021 -0.823 15.104 -4.484 1.00 0.00 S ATOM 1634 CE MET A1021 -2.104 14.145 -3.674 1.00 0.00 C ATOM 0 H MET A1021 3.560 16.485 -5.268 1.00 0.00 H new ATOM 0 HA MET A1021 3.342 14.079 -3.876 1.00 0.00 H new ATOM 0 HB2 MET A1021 2.370 15.959 -2.874 1.00 0.00 H new ATOM 0 HB3 MET A1021 1.585 16.478 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.711 13.888 -3.100 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.219 15.390 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A1021 -2.733 13.669 -4.426 1.00 0.00 H new ATOM 0 HE2 MET A1021 -1.645 13.380 -3.048 1.00 0.00 H new ATOM 0 HE3 MET A1021 -2.714 14.802 -3.054 1.00 0.00 H new ATOM 1644 N LEU A1022 1.380 14.272 -6.517 1.00 0.00 N ATOM 1645 CA LEU A1022 0.538 13.491 -7.411 1.00 0.00 C ATOM 1646 C LEU A1022 1.336 12.344 -8.025 1.00 0.00 C ATOM 1647 O LEU A1022 0.831 11.230 -8.175 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.037 14.391 -8.508 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.113 13.748 -9.387 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -2.328 13.375 -8.552 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.508 14.689 -10.515 1.00 0.00 C ATOM 0 H LEU A1022 1.509 15.243 -6.802 1.00 0.00 H new ATOM 0 HA LEU A1022 -0.287 13.067 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.458 15.281 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.781 14.723 -9.148 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.705 12.837 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -3.083 12.919 -9.192 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -2.034 12.667 -7.777 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.739 14.271 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.274 14.217 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -1.900 15.616 -10.095 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -0.634 14.909 -11.128 1.00 0.00 H new ATOM 1663 N THR A1023 2.592 12.623 -8.350 1.00 0.00 N ATOM 1664 CA THR A1023 3.484 11.623 -8.919 1.00 0.00 C ATOM 1665 C THR A1023 3.828 10.546 -7.885 1.00 0.00 C ATOM 1666 O THR A1023 3.908 9.356 -8.207 1.00 0.00 O ATOM 1667 CB THR A1023 4.779 12.288 -9.426 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.446 13.424 -10.236 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.621 11.314 -10.237 1.00 0.00 C ATOM 0 H THR A1023 3.018 13.542 -8.228 1.00 0.00 H new ATOM 0 HA THR A1023 2.970 11.151 -9.757 1.00 0.00 H new ATOM 0 HB THR A1023 5.363 12.603 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.128 14.152 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.527 11.814 -10.580 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.891 10.461 -9.615 1.00 0.00 H new ATOM 0 HG23 THR A1023 5.049 10.969 -11.098 1.00 0.00 H new ATOM 1677 N ALA A1024 3.984 10.971 -6.636 1.00 0.00 N ATOM 1678 CA ALA A1024 4.364 10.071 -5.559 1.00 0.00 C ATOM 1679 C ALA A1024 3.168 9.251 -5.098 1.00 0.00 C ATOM 1680 O ALA A1024 3.281 8.053 -4.858 1.00 0.00 O ATOM 1681 CB ALA A1024 4.953 10.850 -4.393 1.00 0.00 C ATOM 0 H ALA A1024 3.852 11.940 -6.346 1.00 0.00 H new ATOM 0 HA ALA A1024 5.125 9.389 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.231 10.159 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A1024 5.837 11.393 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.214 11.557 -4.017 1.00 0.00 H new ATOM 1687 N ALA A1025 2.017 9.904 -4.995 1.00 0.00 N ATOM 1688 CA ALA A1025 0.784 9.236 -4.600 1.00 0.00 C ATOM 1689 C ALA A1025 0.400 8.181 -5.622 1.00 0.00 C ATOM 1690 O ALA A1025 -0.187 7.152 -5.288 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.342 10.246 -4.438 1.00 0.00 C ATOM 0 H ALA A1025 1.912 10.901 -5.181 1.00 0.00 H new ATOM 0 HA ALA A1025 0.952 8.746 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.255 9.729 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A1025 -0.072 10.972 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.507 10.762 -5.384 1.00 0.00 H new ATOM 1697 N HIS A1026 0.742 8.444 -6.874 1.00 0.00 N ATOM 1698 CA HIS A1026 0.464 7.509 -7.948 1.00 0.00 C ATOM 1699 C HIS A1026 1.381 6.301 -7.829 1.00 0.00 C ATOM 1700 O HIS A1026 0.941 5.162 -7.969 1.00 0.00 O ATOM 1701 CB HIS A1026 0.643 8.197 -9.309 1.00 0.00 C ATOM 1702 CG HIS A1026 0.194 7.384 -10.489 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -0.770 7.812 -11.374 1.00 0.00 N ATOM 1704 CD2 HIS A1026 0.604 6.177 -10.943 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -0.933 6.905 -12.319 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -0.109 5.902 -12.080 1.00 0.00 N ATOM 0 H HIS A1026 1.213 9.299 -7.169 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.569 7.170 -7.871 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.090 9.136 -9.301 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.696 8.448 -9.438 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.356 5.546 -10.492 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -1.623 6.972 -13.147 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -0.018 5.060 -12.649 1.00 0.00 H new ATOM 1715 N ALA A1027 2.655 6.564 -7.563 1.00 0.00 N ATOM 1716 CA ALA A1027 3.625 5.503 -7.343 1.00 0.00 C ATOM 1717 C ALA A1027 3.200 4.659 -6.152 1.00 0.00 C ATOM 1718 O ALA A1027 3.195 3.435 -6.219 1.00 0.00 O ATOM 1719 CB ALA A1027 5.012 6.089 -7.119 1.00 0.00 C ATOM 0 H ALA A1027 3.039 7.506 -7.495 1.00 0.00 H new ATOM 0 HA ALA A1027 3.665 4.868 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.726 5.282 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.309 6.665 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.995 6.740 -6.245 1.00 0.00 H new ATOM 1725 N LEU A1028 2.794 5.349 -5.095 1.00 0.00 N ATOM 1726 CA LEU A1028 2.321 4.718 -3.870 1.00 0.00 C ATOM 1727 C LEU A1028 1.177 3.763 -4.152 1.00 0.00 C ATOM 1728 O LEU A1028 1.187 2.607 -3.733 1.00 0.00 O ATOM 1729 CB LEU A1028 1.842 5.796 -2.897 1.00 0.00 C ATOM 1730 CG LEU A1028 1.170 5.278 -1.622 1.00 0.00 C ATOM 1731 CD1 LEU A1028 1.563 6.127 -0.432 1.00 0.00 C ATOM 1732 CD2 LEU A1028 -0.337 5.291 -1.764 1.00 0.00 C ATOM 0 H LEU A1028 2.783 6.368 -5.063 1.00 0.00 H new ATOM 0 HA LEU A1028 3.146 4.153 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A1028 2.696 6.411 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.140 6.447 -3.419 1.00 0.00 H new ATOM 0 HG LEU A1028 1.506 4.253 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.076 5.744 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.645 6.091 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A1028 1.252 7.158 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.792 4.919 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -0.676 6.310 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -0.629 4.653 -2.598 1.00 0.00 H new ATOM 1744 N ALA A1029 0.165 4.282 -4.822 1.00 0.00 N ATOM 1745 CA ALA A1029 -1.005 3.491 -5.149 1.00 0.00 C ATOM 1746 C ALA A1029 -0.633 2.239 -5.943 1.00 0.00 C ATOM 1747 O ALA A1029 -1.307 1.209 -5.842 1.00 0.00 O ATOM 1748 CB ALA A1029 -2.028 4.322 -5.906 1.00 0.00 C ATOM 0 H ALA A1029 0.130 5.247 -5.150 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.453 3.167 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.896 3.706 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.338 5.167 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.585 4.690 -6.831 1.00 0.00 H new ATOM 1754 N VAL A1030 0.429 2.332 -6.739 1.00 0.00 N ATOM 1755 CA VAL A1030 0.955 1.174 -7.447 1.00 0.00 C ATOM 1756 C VAL A1030 1.518 0.148 -6.468 1.00 0.00 C ATOM 1757 O VAL A1030 1.290 -1.051 -6.623 1.00 0.00 O ATOM 1758 CB VAL A1030 2.047 1.572 -8.466 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.678 0.339 -9.099 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.466 2.483 -9.536 1.00 0.00 C ATOM 0 H VAL A1030 0.940 3.198 -6.908 1.00 0.00 H new ATOM 0 HA VAL A1030 0.123 0.730 -7.993 1.00 0.00 H new ATOM 0 HB VAL A1030 2.828 2.114 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.443 0.647 -9.812 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.132 -0.276 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A1030 1.911 -0.237 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.247 2.755 -10.246 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.664 1.963 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.070 3.385 -9.070 1.00 0.00 H new ATOM 1770 N ASP A1031 2.259 0.623 -5.471 1.00 0.00 N ATOM 1771 CA ASP A1031 2.794 -0.256 -4.427 1.00 0.00 C ATOM 1772 C ASP A1031 1.672 -1.110 -3.844 1.00 0.00 C ATOM 1773 O ASP A1031 1.806 -2.330 -3.706 1.00 0.00 O ATOM 1774 CB ASP A1031 3.426 0.540 -3.280 1.00 0.00 C ATOM 1775 CG ASP A1031 4.401 1.608 -3.715 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.813 1.609 -4.892 1.00 0.00 O ATOM 1777 OD2 ASP A1031 4.752 2.453 -2.867 1.00 0.00 O ATOM 0 H ASP A1031 2.504 1.607 -5.361 1.00 0.00 H new ATOM 0 HA ASP A1031 3.559 -0.878 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A1031 2.631 1.008 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A1031 3.941 -0.154 -2.615 1.00 0.00 H new ATOM 1782 N ALA A1032 0.550 -0.459 -3.540 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.637 -1.145 -3.048 1.00 0.00 C ATOM 1784 C ALA A1032 -1.154 -2.158 -4.074 1.00 0.00 C ATOM 1785 O ALA A1032 -1.324 -3.334 -3.762 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.723 -0.135 -2.716 1.00 0.00 C ATOM 0 H ALA A1032 0.441 0.551 -3.628 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.365 -1.689 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.606 -0.658 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.361 0.549 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.982 0.429 -3.612 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.378 -1.701 -5.307 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.991 -2.551 -6.332 1.00 0.00 C ATOM 1794 C LYS A1033 -1.089 -3.729 -6.713 1.00 0.00 C ATOM 1795 O LYS A1033 -1.574 -4.815 -7.040 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.378 -1.740 -7.581 1.00 0.00 C ATOM 1797 CG LYS A1033 -1.200 -1.255 -8.409 1.00 0.00 C ATOM 1798 CD LYS A1033 -1.640 -0.359 -9.559 1.00 0.00 C ATOM 1799 CE LYS A1033 -2.502 -1.098 -10.574 1.00 0.00 C ATOM 1800 NZ LYS A1033 -1.778 -2.227 -11.216 1.00 0.00 N ATOM 0 H LYS A1033 -1.148 -0.758 -5.619 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.903 -2.959 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -3.021 -2.354 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.967 -0.877 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -0.507 -0.709 -7.769 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -0.658 -2.113 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -2.198 0.489 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -0.759 0.044 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -3.396 -1.477 -10.080 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -2.834 -0.399 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -2.331 -2.580 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -0.849 -1.899 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -1.647 -2.993 -10.525 1.00 0.00 H new ATOM 1814 N ASN A1034 0.219 -3.533 -6.660 1.00 0.00 N ATOM 1815 CA ASN A1034 1.141 -4.603 -7.009 1.00 0.00 C ATOM 1816 C ASN A1034 1.165 -5.652 -5.903 1.00 0.00 C ATOM 1817 O ASN A1034 1.225 -6.848 -6.168 1.00 0.00 O ATOM 1818 CB ASN A1034 2.548 -4.056 -7.259 1.00 0.00 C ATOM 1819 CG ASN A1034 3.402 -5.007 -8.078 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.390 -4.962 -9.306 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.154 -5.863 -7.409 1.00 0.00 N ATOM 0 H ASN A1034 0.662 -2.657 -6.383 1.00 0.00 H new ATOM 0 HA ASN A1034 0.794 -5.069 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.476 -3.099 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.036 -3.866 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A1034 4.753 -6.518 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A1034 4.136 -5.869 -6.389 1.00 0.00 H new ATOM 1828 N LEU A1035 1.068 -5.195 -4.660 1.00 0.00 N ATOM 1829 CA LEU A1035 1.099 -6.095 -3.511 1.00 0.00 C ATOM 1830 C LEU A1035 -0.267 -6.755 -3.303 1.00 0.00 C ATOM 1831 O LEU A1035 -0.341 -7.849 -2.765 1.00 0.00 O ATOM 1832 CB LEU A1035 1.509 -5.342 -2.240 1.00 0.00 C ATOM 1833 CG LEU A1035 1.509 -6.186 -0.972 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.822 -6.939 -0.823 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.248 -5.311 0.234 1.00 0.00 C ATOM 0 H LEU A1035 0.967 -4.208 -4.421 1.00 0.00 H new ATOM 0 HA LEU A1035 1.838 -6.870 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.507 -4.929 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.832 -4.499 -2.099 1.00 0.00 H new ATOM 0 HG LEU A1035 0.710 -6.924 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.798 -7.535 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.964 -7.596 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.646 -6.227 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.250 -5.924 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.027 -4.553 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.278 -4.825 0.128 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.354 -6.101 -3.729 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.684 -6.714 -3.625 1.00 0.00 C ATOM 1849 C LEU A1036 -2.732 -7.934 -4.514 1.00 0.00 C ATOM 1850 O LEU A1036 -3.466 -8.879 -4.266 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.832 -5.722 -3.948 1.00 0.00 C ATOM 1852 CG LEU A1036 -3.977 -5.201 -5.385 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.621 -6.237 -6.298 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.811 -3.926 -5.385 1.00 0.00 C ATOM 0 H LEU A1036 -1.342 -5.168 -4.140 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.844 -7.012 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.771 -6.204 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.715 -4.858 -3.294 1.00 0.00 H new ATOM 0 HG LEU A1036 -2.978 -4.993 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -4.706 -5.831 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -4.005 -7.136 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.613 -6.486 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -4.913 -3.558 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.799 -4.137 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.319 -3.169 -4.774 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.916 -7.885 -5.539 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.675 -9.039 -6.380 1.00 0.00 C ATOM 1868 C ASP A1037 -0.767 -10.007 -5.640 1.00 0.00 C ATOM 1869 O ASP A1037 -1.043 -11.196 -5.573 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.042 -8.635 -7.713 1.00 0.00 C ATOM 1871 CG ASP A1037 -0.716 -9.838 -8.578 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -1.663 -10.516 -9.034 1.00 0.00 O ATOM 1873 OD2 ASP A1037 0.479 -10.121 -8.793 1.00 0.00 O ATOM 0 H ASP A1037 -1.401 -7.049 -5.815 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.629 -9.518 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.722 -7.975 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.131 -8.067 -7.524 1.00 0.00 H new ATOM 1878 N VAL A1038 0.288 -9.453 -5.049 1.00 0.00 N ATOM 1879 CA VAL A1038 1.286 -10.208 -4.286 1.00 0.00 C ATOM 1880 C VAL A1038 0.674 -11.074 -3.196 1.00 0.00 C ATOM 1881 O VAL A1038 0.854 -12.275 -3.175 1.00 0.00 O ATOM 1882 CB VAL A1038 2.277 -9.248 -3.593 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.156 -9.989 -2.602 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.121 -8.511 -4.610 1.00 0.00 C ATOM 0 H VAL A1038 0.479 -8.452 -5.085 1.00 0.00 H new ATOM 0 HA VAL A1038 1.784 -10.848 -5.014 1.00 0.00 H new ATOM 0 HB VAL A1038 1.692 -8.512 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.843 -9.287 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.532 -10.455 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.725 -10.758 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.810 -7.842 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.688 -9.230 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.474 -7.930 -5.267 1.00 0.00 H new ATOM 1894 N ILE A1039 0.009 -10.436 -2.265 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.496 -11.115 -1.081 1.00 0.00 C ATOM 1896 C ILE A1039 -1.815 -11.850 -1.329 1.00 0.00 C ATOM 1897 O ILE A1039 -2.066 -12.882 -0.703 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.610 -10.163 0.125 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.387 -8.898 -0.240 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.781 -9.814 0.644 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -1.278 -7.803 0.798 1.00 0.00 C ATOM 0 H ILE A1039 -0.200 -9.438 -2.299 1.00 0.00 H new ATOM 0 HA ILE A1039 0.246 -11.876 -0.838 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.164 -10.671 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.022 -8.520 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.438 -9.154 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.693 -9.141 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.293 -10.725 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.352 -9.326 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.853 -6.936 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.669 -8.163 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.232 -7.520 0.920 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.669 -11.333 -2.209 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.788 -12.151 -2.695 1.00 0.00 C ATOM 1915 C ASP A1040 -3.247 -13.451 -3.261 1.00 0.00 C ATOM 1916 O ASP A1040 -3.754 -14.537 -2.965 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.624 -11.448 -3.764 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.613 -12.399 -4.428 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.254 -13.198 -3.714 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.739 -12.370 -5.669 1.00 0.00 O ATOM 0 H ASP A1040 -2.618 -10.389 -2.591 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.444 -12.335 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.166 -10.617 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.964 -11.024 -4.521 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.181 -13.343 -4.044 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.565 -14.533 -4.583 1.00 0.00 C ATOM 1927 C GLN A1041 -0.713 -15.192 -3.527 1.00 0.00 C ATOM 1928 O GLN A1041 -0.420 -16.348 -3.659 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.756 -14.323 -5.864 1.00 0.00 C ATOM 1930 CG GLN A1041 0.559 -13.599 -5.695 1.00 0.00 C ATOM 1931 CD GLN A1041 1.343 -13.525 -6.987 1.00 0.00 C ATOM 1932 OE1 GLN A1041 1.306 -14.442 -7.809 1.00 0.00 O ATOM 1933 NE2 GLN A1041 2.024 -12.416 -7.193 1.00 0.00 N ATOM 0 H GLN A1041 -1.739 -12.463 -4.311 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.391 -15.182 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.559 -15.297 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -1.369 -13.765 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A1041 0.371 -12.590 -5.328 1.00 0.00 H new ATOM 0 HG3 GLN A1041 1.157 -14.107 -4.938 1.00 0.00 H new ATOM 0 HE21 GLN A1041 2.028 -11.681 -6.486 1.00 0.00 H new ATOM 0 HE22 GLN A1041 2.547 -12.292 -8.060 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.269 -14.448 -2.512 1.00 0.00 N ATOM 1943 CA ALA A1042 0.368 -15.050 -1.351 1.00 0.00 C ATOM 1944 C ALA A1042 -0.539 -16.106 -0.749 1.00 0.00 C ATOM 1945 O ALA A1042 -0.154 -17.256 -0.587 1.00 0.00 O ATOM 1946 CB ALA A1042 0.688 -14.006 -0.299 1.00 0.00 C ATOM 0 H ALA A1042 -0.341 -13.431 -2.475 1.00 0.00 H new ATOM 0 HA ALA A1042 1.300 -15.509 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A1042 1.163 -14.486 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.364 -13.261 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.233 -13.520 0.023 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.755 -15.704 -0.421 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.750 -16.639 0.077 1.00 0.00 C ATOM 1954 C ARG A1043 -2.940 -17.788 -0.920 1.00 0.00 C ATOM 1955 O ARG A1043 -3.176 -18.929 -0.532 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.072 -15.915 0.325 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.853 -16.460 1.508 1.00 0.00 C ATOM 1958 CD ARG A1043 -4.146 -16.173 2.823 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.964 -16.556 3.974 1.00 0.00 N ATOM 1960 CZ ARG A1043 -4.698 -16.218 5.241 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -3.611 -15.519 5.545 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -5.523 -16.583 6.212 1.00 0.00 N ATOM 0 H ARG A1043 -2.077 -14.739 -0.490 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.403 -17.057 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -3.871 -14.856 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.689 -15.987 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.848 -16.015 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.986 -17.536 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -3.200 -16.714 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.908 -15.111 2.884 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.795 -17.120 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -2.966 -15.233 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -3.421 -15.268 6.515 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -6.361 -17.122 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -5.320 -16.325 7.178 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.813 -17.474 -2.206 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.867 -18.487 -3.263 1.00 0.00 C ATOM 1978 C LEU A1044 -1.555 -19.284 -3.345 1.00 0.00 C ATOM 1979 O LEU A1044 -1.549 -20.419 -3.796 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.168 -17.827 -4.611 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.237 -18.775 -5.813 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.366 -19.781 -5.641 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.418 -17.987 -7.104 1.00 0.00 C ATOM 0 H LEU A1044 -2.671 -16.523 -2.545 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.668 -19.185 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.119 -17.299 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.402 -17.077 -4.807 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.296 -19.323 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.397 -20.444 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.196 -20.368 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.315 -19.252 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.465 -18.676 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.343 -17.412 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.576 -17.308 -7.237 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.451 -18.674 -2.919 1.00 0.00 N ATOM 1996 CA LYS A1045 0.845 -19.345 -2.837 1.00 0.00 C ATOM 1997 C LYS A1045 0.744 -20.450 -1.818 1.00 0.00 C ATOM 1998 O LYS A1045 1.347 -21.515 -1.947 1.00 0.00 O ATOM 1999 CB LYS A1045 1.955 -18.374 -2.395 1.00 0.00 C ATOM 2000 CG LYS A1045 2.287 -17.268 -3.382 1.00 0.00 C ATOM 2001 CD LYS A1045 2.553 -17.804 -4.782 1.00 0.00 C ATOM 2002 CE LYS A1045 2.934 -16.686 -5.741 1.00 0.00 C ATOM 2003 NZ LYS A1045 2.947 -17.142 -7.158 1.00 0.00 N ATOM 0 H LYS A1045 -0.430 -17.699 -2.620 1.00 0.00 H new ATOM 0 HA LYS A1045 1.098 -19.732 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.659 -17.918 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.861 -18.949 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.462 -16.557 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.163 -16.722 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.354 -18.542 -4.745 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.665 -18.316 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A1045 2.230 -15.861 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.919 -16.302 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.930 -17.270 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 2.438 -18.046 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.482 -16.430 -7.756 1.00 0.00 H new ATOM 2017 N MET A1046 -0.044 -20.167 -0.805 1.00 0.00 N ATOM 2018 CA MET A1046 -0.301 -21.124 0.252 1.00 0.00 C ATOM 2019 C MET A1046 -1.186 -22.242 -0.288 1.00 0.00 C ATOM 2020 O MET A1046 -0.969 -23.421 -0.009 1.00 0.00 O ATOM 2021 CB MET A1046 -0.963 -20.422 1.432 1.00 0.00 C ATOM 2022 CG MET A1046 -1.121 -21.300 2.656 1.00 0.00 C ATOM 2023 SD MET A1046 -1.969 -20.454 4.009 1.00 0.00 S ATOM 2024 CE MET A1046 -3.562 -20.126 3.257 1.00 0.00 C ATOM 0 H MET A1046 -0.523 -19.274 -0.689 1.00 0.00 H new ATOM 0 HA MET A1046 0.637 -21.558 0.599 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.373 -19.546 1.699 1.00 0.00 H new ATOM 0 HB3 MET A1046 -1.945 -20.063 1.125 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.679 -22.197 2.386 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.138 -21.626 2.995 1.00 0.00 H new ATOM 0 HE1 MET A1046 -4.305 -19.959 4.037 1.00 0.00 H new ATOM 0 HE2 MET A1046 -3.491 -19.239 2.627 1.00 0.00 H new ATOM 0 HE3 MET A1046 -3.860 -20.980 2.649 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.170 -21.852 -1.093 1.00 0.00 N ATOM 2035 CA ILE A1047 -3.010 -22.801 -1.811 1.00 0.00 C ATOM 2036 C ILE A1047 -2.151 -23.626 -2.782 1.00 0.00 C ATOM 2037 O ILE A1047 -2.383 -24.818 -2.995 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.121 -22.070 -2.603 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -5.012 -21.261 -1.652 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.958 -23.057 -3.405 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.708 -22.100 -0.601 1.00 0.00 C ATOM 0 H ILE A1047 -2.406 -20.874 -1.264 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.479 -23.460 -1.080 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.643 -21.384 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.404 -20.505 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.764 -20.731 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.731 -22.518 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.318 -23.588 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.425 -23.773 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.319 -21.457 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.344 -22.839 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.963 -22.609 0.010 1.00 0.00 H new ATOM 2053 N SER A1048 -1.141 -22.964 -3.340 1.00 0.00 N ATOM 2054 CA SER A1048 -0.270 -23.535 -4.361 1.00 0.00 C ATOM 2055 C SER A1048 0.478 -24.770 -3.861 1.00 0.00 C ATOM 2056 O SER A1048 0.628 -25.747 -4.593 1.00 0.00 O ATOM 2057 CB SER A1048 0.732 -22.472 -4.837 1.00 0.00 C ATOM 2058 OG SER A1048 1.531 -22.952 -5.907 1.00 0.00 O ATOM 0 H SER A1048 -0.902 -22.004 -3.092 1.00 0.00 H new ATOM 0 HA SER A1048 -0.900 -23.853 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A1048 0.193 -21.580 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.373 -22.177 -4.006 1.00 0.00 H new ATOM 0 HG SER A1048 2.157 -22.252 -6.188 1.00 0.00 H new ATOM 2064 N GLN A1049 0.945 -24.735 -2.621 1.00 0.00 N ATOM 2065 CA GLN A1049 1.726 -25.847 -2.091 1.00 0.00 C ATOM 2066 C GLN A1049 0.837 -26.906 -1.463 1.00 0.00 C ATOM 2067 O GLN A1049 1.267 -28.039 -1.247 1.00 0.00 O ATOM 2068 CB GLN A1049 2.769 -25.357 -1.092 1.00 0.00 C ATOM 2069 CG GLN A1049 3.905 -24.590 -1.752 1.00 0.00 C ATOM 2070 CD GLN A1049 4.665 -25.426 -2.768 1.00 0.00 C ATOM 2071 OE1 GLN A1049 5.175 -24.908 -3.759 1.00 0.00 O ATOM 2072 NE2 GLN A1049 4.758 -26.727 -2.529 1.00 0.00 N ATOM 0 H GLN A1049 0.801 -23.962 -1.971 1.00 0.00 H new ATOM 0 HA GLN A1049 2.246 -26.307 -2.931 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.286 -24.717 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A1049 3.179 -26.211 -0.553 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.502 -23.705 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A1049 4.596 -24.241 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A1049 4.323 -27.125 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A1049 5.265 -27.330 -3.177 1.00 0.00 H new