USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 70:sc= 0.966 USER MOD Set 1.2: B 18 THR OG1 : rot 69:sc= 0.745 USER MOD Set 2.1: A 77 ASN : amide:sc= -4.83 K(o=-7.9,f=-9.8!) USER MOD Set 2.2: A 84 CYS SG : rot -65:sc= -3.11! USER MOD Set 3.1: A 46 THR OG1 : rot 69:sc= 1.04 USER MOD Set 3.2: A 60 CYS SG : rot 11:sc= -9.95! USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.64! C(o=-13!,f=-24!) USER MOD Set 4.2: A 52 LYS NZ :NH3+ 143:sc= -3.63! (180deg=-2.06) USER MOD Set 4.3: A 57 CYS SG : rot 63:sc= -2.57 USER MOD Set 5.1: A 22 HIS :FLIP no HD1:sc= -0.189 F(o=-3.4,f=-2.9) USER MOD Set 5.2: A 31 CYS SG : rot 110:sc= -2.35 USER MOD Set 5.3: A 36 CYS SG : rot 168:sc= -0.314 USER MOD Single : A 8 SER OG : rot 140:sc= -0.162 USER MOD Single : A 14 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.9!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 SER OG : rot 80:sc= -0.0226 USER MOD Single : A 25 GLN :FLIP amide:sc= -4.25! C(o=-7.3!,f=-4.2!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0852 USER MOD Single : A 28 ASN : amide:sc=-0.00351 K(o=-0.0035,f=-0.94) USER MOD Single : A 30 ASN : amide:sc=-0.00105 K(o=-0.001,f=-0.95) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00441 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.01 K(o=1,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 0.483 (180deg=-7.03!) USER MOD Single : A 39 MET CE :methyl -153:sc= -0.159 (180deg=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -6.88! (180deg=-7.34!) USER MOD Single : A 44 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.62) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.576) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.729 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 57:sc= 1.26 USER MOD Single : A 54 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.679 K(o=-0.68,f=-1.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00698 X(o=-0.007,f=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot -97:sc= 1.26 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.718 F(o=-1.3,f=-0.72) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.351 K(o=-0.35,f=-1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -92:sc= 0.632 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 20 SER OG : rot -99:sc= 0.93 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 -9.543 -6.951 14.890 1.00 0.00 N ATOM 56 CA PRO A 5 -8.456 -6.972 13.883 1.00 0.00 C ATOM 57 C PRO A 5 -9.031 -6.576 12.543 1.00 0.00 C ATOM 58 O PRO A 5 -8.384 -5.914 11.740 1.00 0.00 O ATOM 59 CB PRO A 5 -7.967 -8.425 13.901 1.00 0.00 C ATOM 60 CG PRO A 5 -8.304 -8.887 15.272 1.00 0.00 C ATOM 61 CD PRO A 5 -9.650 -8.236 15.586 1.00 0.00 C ATOM 0 HA PRO A 5 -7.638 -6.281 14.084 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.466 -9.026 13.141 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.896 -8.491 13.707 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.371 -9.974 15.317 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.542 -8.584 15.990 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.486 -8.831 15.217 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.800 -8.107 16.658 1.00 0.00 H new ATOM 69 N GLY A 6 -10.279 -6.961 12.340 1.00 0.00 N ATOM 70 CA GLY A 6 -10.971 -6.624 11.118 1.00 0.00 C ATOM 71 C GLY A 6 -11.002 -5.109 10.975 1.00 0.00 C ATOM 72 O GLY A 6 -10.904 -4.566 9.875 1.00 0.00 O ATOM 0 H GLY A 6 -10.828 -7.505 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.467 -7.074 10.262 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.985 -7.022 11.136 1.00 0.00 H new ATOM 76 N ASP A 7 -11.094 -4.433 12.116 1.00 0.00 N ATOM 77 CA ASP A 7 -11.097 -2.975 12.143 1.00 0.00 C ATOM 78 C ASP A 7 -9.663 -2.471 12.075 1.00 0.00 C ATOM 79 O ASP A 7 -9.390 -1.389 11.552 1.00 0.00 O ATOM 80 CB ASP A 7 -11.773 -2.468 13.418 1.00 0.00 C ATOM 81 CG ASP A 7 -11.997 -0.962 13.327 1.00 0.00 C ATOM 82 OD1 ASP A 7 -11.308 -0.326 12.546 1.00 0.00 O ATOM 83 OD2 ASP A 7 -12.853 -0.465 14.041 1.00 0.00 O ATOM 0 H ASP A 7 -11.167 -4.872 13.034 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.656 -2.600 11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.726 -2.978 13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.154 -2.700 14.285 1.00 0.00 H new ATOM 88 N SER A 8 -8.748 -3.288 12.586 1.00 0.00 N ATOM 89 CA SER A 8 -7.333 -2.958 12.562 1.00 0.00 C ATOM 90 C SER A 8 -6.814 -3.114 11.139 1.00 0.00 C ATOM 91 O SER A 8 -5.954 -2.359 10.687 1.00 0.00 O ATOM 92 CB SER A 8 -6.553 -3.863 13.521 1.00 0.00 C ATOM 93 OG SER A 8 -5.325 -3.232 13.866 1.00 0.00 O ATOM 0 H SER A 8 -8.965 -4.184 13.022 1.00 0.00 H new ATOM 0 HA SER A 8 -7.194 -1.927 12.889 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.141 -4.055 14.418 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.361 -4.829 13.053 1.00 0.00 H new ATOM 0 HG SER A 8 -5.139 -3.376 14.817 1.00 0.00 H new ATOM 99 N ARG A 9 -7.380 -4.087 10.438 1.00 0.00 N ATOM 100 CA ARG A 9 -7.024 -4.337 9.057 1.00 0.00 C ATOM 101 C ARG A 9 -7.534 -3.198 8.200 1.00 0.00 C ATOM 102 O ARG A 9 -6.877 -2.761 7.259 1.00 0.00 O ATOM 103 CB ARG A 9 -7.587 -5.683 8.578 1.00 0.00 C ATOM 104 CG ARG A 9 -6.779 -6.829 9.192 1.00 0.00 C ATOM 105 CD ARG A 9 -7.345 -8.167 8.708 1.00 0.00 C ATOM 106 NE ARG A 9 -6.512 -9.268 9.178 1.00 0.00 N ATOM 107 CZ ARG A 9 -6.617 -10.484 8.650 1.00 0.00 C ATOM 108 NH1 ARG A 9 -7.492 -10.714 7.709 1.00 0.00 N ATOM 109 NH2 ARG A 9 -5.845 -11.448 9.073 1.00 0.00 N ATOM 0 H ARG A 9 -8.091 -4.717 10.810 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.939 -4.392 8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.635 -5.771 8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.546 -5.739 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.730 -6.742 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.821 -6.776 10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.365 -8.292 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.393 -8.177 7.619 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.837 -9.102 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.095 -9.961 7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.572 -11.647 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.161 -11.268 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.925 -12.381 8.668 1.00 0.00 H new ATOM 123 N ARG A 10 -8.699 -2.701 8.572 1.00 0.00 N ATOM 124 CA ARG A 10 -9.294 -1.569 7.871 1.00 0.00 C ATOM 125 C ARG A 10 -8.502 -0.307 8.189 1.00 0.00 C ATOM 126 O ARG A 10 -8.312 0.568 7.344 1.00 0.00 O ATOM 127 CB ARG A 10 -10.765 -1.395 8.254 1.00 0.00 C ATOM 128 CG ARG A 10 -11.605 -2.530 7.641 1.00 0.00 C ATOM 129 CD ARG A 10 -11.694 -2.384 6.113 1.00 0.00 C ATOM 130 NE ARG A 10 -12.921 -3.005 5.626 1.00 0.00 N ATOM 131 CZ ARG A 10 -13.035 -4.328 5.536 1.00 0.00 C ATOM 132 NH1 ARG A 10 -12.037 -5.094 5.888 1.00 0.00 N ATOM 133 NH2 ARG A 10 -14.143 -4.861 5.098 1.00 0.00 N ATOM 0 H ARG A 10 -9.253 -3.058 9.351 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.256 -1.758 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.870 -1.399 9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.130 -0.430 7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.161 -3.493 7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.607 -2.519 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.676 -1.329 5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.828 -2.851 5.643 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.706 -2.415 5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.171 -4.678 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.123 -6.108 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.923 -4.263 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.229 -5.875 5.030 1.00 0.00 H new ATOM 147 N LEU A 11 -8.017 -0.238 9.415 1.00 0.00 N ATOM 148 CA LEU A 11 -7.211 0.893 9.843 1.00 0.00 C ATOM 149 C LEU A 11 -5.803 0.731 9.290 1.00 0.00 C ATOM 150 O LEU A 11 -5.084 1.712 9.080 1.00 0.00 O ATOM 151 CB LEU A 11 -7.184 0.984 11.380 1.00 0.00 C ATOM 152 CG LEU A 11 -8.442 1.729 11.895 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.798 1.272 13.319 1.00 0.00 C ATOM 154 CD2 LEU A 11 -8.175 3.241 11.913 1.00 0.00 C ATOM 0 H LEU A 11 -8.166 -0.949 10.131 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.646 1.817 9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.144 -0.017 11.810 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.284 1.507 11.705 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.273 1.501 11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.684 1.807 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.999 0.201 13.318 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.964 1.484 13.988 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.061 3.763 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.333 3.454 12.572 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.941 3.581 10.904 1.00 0.00 H new ATOM 166 N SER A 12 -5.419 -0.523 9.044 1.00 0.00 N ATOM 167 CA SER A 12 -4.100 -0.799 8.502 1.00 0.00 C ATOM 168 C SER A 12 -3.998 -0.255 7.083 1.00 0.00 C ATOM 169 O SER A 12 -3.018 0.403 6.734 1.00 0.00 O ATOM 170 CB SER A 12 -3.826 -2.301 8.503 1.00 0.00 C ATOM 171 OG SER A 12 -2.508 -2.536 8.024 1.00 0.00 O ATOM 0 H SER A 12 -5.996 -1.347 9.210 1.00 0.00 H new ATOM 0 HA SER A 12 -3.356 -0.308 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.937 -2.702 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.552 -2.816 7.873 1.00 0.00 H new ATOM 0 HG SER A 12 -1.858 -2.222 8.687 1.00 0.00 H new ATOM 177 N ILE A 13 -5.017 -0.529 6.262 1.00 0.00 N ATOM 178 CA ILE A 13 -5.001 -0.044 4.895 1.00 0.00 C ATOM 179 C ILE A 13 -5.181 1.475 4.842 1.00 0.00 C ATOM 180 O ILE A 13 -4.644 2.125 3.957 1.00 0.00 O ATOM 181 CB ILE A 13 -6.082 -0.720 4.041 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.469 -0.321 4.545 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.927 -2.245 4.080 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.546 -1.028 3.722 1.00 0.00 C ATOM 0 H ILE A 13 -5.841 -1.072 6.520 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.025 -0.299 4.483 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.967 -0.388 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.572 -0.584 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.595 0.759 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.703 -2.705 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.947 -2.521 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.021 -2.594 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.531 -0.739 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.449 -0.743 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.426 -2.107 3.817 1.00 0.00 H new ATOM 196 N GLN A 14 -5.937 2.037 5.787 1.00 0.00 N ATOM 197 CA GLN A 14 -6.156 3.478 5.819 1.00 0.00 C ATOM 198 C GLN A 14 -4.824 4.206 5.993 1.00 0.00 C ATOM 199 O GLN A 14 -4.576 5.228 5.360 1.00 0.00 O ATOM 200 CB GLN A 14 -7.109 3.846 6.961 1.00 0.00 C ATOM 201 CG GLN A 14 -8.555 3.552 6.542 1.00 0.00 C ATOM 202 CD GLN A 14 -9.492 3.730 7.729 1.00 0.00 C ATOM 203 OE1 GLN A 14 -9.058 4.124 8.811 1.00 0.00 O ATOM 204 NE2 GLN A 14 -10.762 3.460 7.591 1.00 0.00 N ATOM 0 H GLN A 14 -6.403 1.519 6.532 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.607 3.784 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.857 3.277 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.000 4.901 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.850 4.220 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.631 2.534 6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.119 3.134 6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.397 3.576 8.381 1.00 0.00 H new ATOM 213 N ARG A 15 -3.963 3.651 6.838 1.00 0.00 N ATOM 214 CA ARG A 15 -2.648 4.226 7.073 1.00 0.00 C ATOM 215 C ARG A 15 -1.764 3.976 5.862 1.00 0.00 C ATOM 216 O ARG A 15 -0.992 4.843 5.444 1.00 0.00 O ATOM 217 CB ARG A 15 -2.014 3.624 8.332 1.00 0.00 C ATOM 218 CG ARG A 15 -2.752 4.143 9.570 1.00 0.00 C ATOM 219 CD ARG A 15 -2.117 3.555 10.832 1.00 0.00 C ATOM 220 NE ARG A 15 -2.772 4.087 12.021 1.00 0.00 N ATOM 221 CZ ARG A 15 -2.343 3.780 13.242 1.00 0.00 C ATOM 222 NH1 ARG A 15 -1.318 2.985 13.392 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.944 4.274 14.290 1.00 0.00 N ATOM 0 H ARG A 15 -4.154 2.803 7.371 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.751 5.300 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.065 2.536 8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.959 3.892 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.708 5.232 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.806 3.868 9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.201 2.468 10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.053 3.792 10.857 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.575 4.707 11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.847 2.600 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.988 2.749 14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.744 4.896 14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.614 4.038 15.226 1.00 0.00 H new ATOM 237 N ALA A 16 -1.913 2.791 5.278 1.00 0.00 N ATOM 238 CA ALA A 16 -1.155 2.451 4.092 1.00 0.00 C ATOM 239 C ALA A 16 -1.664 3.312 2.960 1.00 0.00 C ATOM 240 O ALA A 16 -0.894 3.807 2.149 1.00 0.00 O ATOM 241 CB ALA A 16 -1.314 0.965 3.751 1.00 0.00 C ATOM 0 H ALA A 16 -2.546 2.061 5.606 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.093 2.632 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.736 0.733 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.954 0.360 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.366 0.744 3.570 1.00 0.00 H new ATOM 247 N ILE A 17 -2.981 3.504 2.948 1.00 0.00 N ATOM 248 CA ILE A 17 -3.627 4.333 1.953 1.00 0.00 C ATOM 249 C ILE A 17 -3.147 5.761 2.112 1.00 0.00 C ATOM 250 O ILE A 17 -2.751 6.397 1.149 1.00 0.00 O ATOM 251 CB ILE A 17 -5.148 4.257 2.166 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.695 2.909 1.602 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.880 5.474 1.538 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.492 3.112 0.303 1.00 0.00 C ATOM 0 H ILE A 17 -3.620 3.089 3.626 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.383 3.987 0.948 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.346 4.293 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.863 2.230 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.332 2.435 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.952 5.382 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.516 6.394 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.686 5.502 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.855 2.149 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.339 3.770 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.848 3.561 -0.453 1.00 0.00 H new ATOM 266 N GLN A 18 -3.170 6.257 3.344 1.00 0.00 N ATOM 267 CA GLN A 18 -2.725 7.618 3.586 1.00 0.00 C ATOM 268 C GLN A 18 -1.347 7.833 2.977 1.00 0.00 C ATOM 269 O GLN A 18 -1.062 8.903 2.446 1.00 0.00 O ATOM 270 CB GLN A 18 -2.706 7.915 5.094 1.00 0.00 C ATOM 271 CG GLN A 18 -4.118 8.285 5.572 1.00 0.00 C ATOM 272 CD GLN A 18 -4.150 8.375 7.093 1.00 0.00 C ATOM 273 OE1 GLN A 18 -3.122 8.198 7.748 1.00 0.00 O ATOM 274 NE2 GLN A 18 -5.275 8.643 7.696 1.00 0.00 N ATOM 0 H GLN A 18 -3.485 5.749 4.171 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.424 8.307 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.344 7.044 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.016 8.732 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.419 9.238 5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.834 7.538 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.124 8.789 7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.306 8.707 8.714 1.00 0.00 H new ATOM 283 N SER A 19 -0.500 6.808 3.020 1.00 0.00 N ATOM 284 CA SER A 19 0.834 6.925 2.431 1.00 0.00 C ATOM 285 C SER A 19 0.795 6.544 0.962 1.00 0.00 C ATOM 286 O SER A 19 1.428 7.195 0.140 1.00 0.00 O ATOM 287 CB SER A 19 1.841 6.047 3.176 1.00 0.00 C ATOM 288 OG SER A 19 3.132 6.240 2.615 1.00 0.00 O ATOM 0 H SER A 19 -0.705 5.905 3.447 1.00 0.00 H new ATOM 0 HA SER A 19 1.154 7.963 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.850 6.302 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.552 4.999 3.102 1.00 0.00 H new ATOM 0 HG SER A 19 3.522 7.067 2.968 1.00 0.00 H new ATOM 294 N LEU A 20 0.050 5.501 0.616 1.00 0.00 N ATOM 295 CA LEU A 20 -0.029 5.118 -0.785 1.00 0.00 C ATOM 296 C LEU A 20 -0.671 6.245 -1.588 1.00 0.00 C ATOM 297 O LEU A 20 -0.136 6.671 -2.610 1.00 0.00 O ATOM 298 CB LEU A 20 -0.817 3.793 -0.913 1.00 0.00 C ATOM 299 CG LEU A 20 -1.644 3.691 -2.217 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.717 3.552 -3.426 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.556 2.469 -2.134 1.00 0.00 C ATOM 0 H LEU A 20 -0.490 4.924 1.261 1.00 0.00 H new ATOM 0 HA LEU A 20 0.970 4.952 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.118 2.958 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.487 3.693 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.240 4.596 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.313 3.481 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.065 4.423 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.111 2.652 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.142 2.390 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.951 1.571 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.227 2.573 -1.281 1.00 0.00 H new ATOM 313 N VAL A 21 -1.823 6.719 -1.123 1.00 0.00 N ATOM 314 CA VAL A 21 -2.510 7.792 -1.821 1.00 0.00 C ATOM 315 C VAL A 21 -1.608 9.029 -1.843 1.00 0.00 C ATOM 316 O VAL A 21 -1.453 9.669 -2.882 1.00 0.00 O ATOM 317 CB VAL A 21 -3.870 8.110 -1.142 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.297 9.568 -1.383 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.953 7.173 -1.691 1.00 0.00 C ATOM 0 H VAL A 21 -2.291 6.382 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.721 7.482 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.748 7.961 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.253 9.753 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.543 10.240 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.398 9.745 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.906 7.399 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.045 7.315 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.679 6.139 -1.483 1.00 0.00 H new ATOM 329 N HIS A 22 -1.015 9.361 -0.692 1.00 0.00 N ATOM 330 CA HIS A 22 -0.140 10.525 -0.620 1.00 0.00 C ATOM 331 C HIS A 22 1.133 10.302 -1.428 1.00 0.00 C ATOM 332 O HIS A 22 1.527 11.150 -2.222 1.00 0.00 O ATOM 333 CB HIS A 22 0.212 10.843 0.832 1.00 0.00 C ATOM 334 CG HIS A 22 0.931 12.160 0.895 1.00 0.00 C ATOM 335 ND1 HIS A 22 2.118 12.535 1.471 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 0.410 13.308 0.320 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 2.333 13.894 1.259 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 1.273 14.310 0.561 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.124 8.849 0.184 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.676 11.373 -1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.694 10.882 1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.839 10.054 1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.520 13.384 -0.223 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.175 14.485 1.588 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.135 15.271 0.249 1.00 0.00 H new ATOM 346 N ALA A 23 1.769 9.161 -1.219 1.00 0.00 N ATOM 347 CA ALA A 23 3.002 8.834 -1.936 1.00 0.00 C ATOM 348 C ALA A 23 2.755 8.692 -3.436 1.00 0.00 C ATOM 349 O ALA A 23 3.660 8.916 -4.241 1.00 0.00 O ATOM 350 CB ALA A 23 3.597 7.530 -1.402 1.00 0.00 C ATOM 0 H ALA A 23 1.458 8.445 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 23 3.701 9.654 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.514 7.299 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.821 7.640 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.881 6.720 -1.539 1.00 0.00 H new ATOM 356 N ALA A 24 1.535 8.310 -3.814 1.00 0.00 N ATOM 357 CA ALA A 24 1.204 8.139 -5.223 1.00 0.00 C ATOM 358 C ALA A 24 0.663 9.428 -5.811 1.00 0.00 C ATOM 359 O ALA A 24 0.371 9.493 -6.989 1.00 0.00 O ATOM 360 CB ALA A 24 0.169 7.042 -5.366 1.00 0.00 C ATOM 0 H ALA A 24 0.769 8.116 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 24 2.111 7.868 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.080 6.912 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.571 6.109 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.729 7.314 -4.811 1.00 0.00 H new ATOM 366 N GLN A 25 0.539 10.446 -4.976 1.00 0.00 N ATOM 367 CA GLN A 25 0.045 11.755 -5.387 1.00 0.00 C ATOM 368 C GLN A 25 1.129 12.801 -5.191 1.00 0.00 C ATOM 369 O GLN A 25 1.247 13.742 -5.975 1.00 0.00 O ATOM 370 CB GLN A 25 -1.163 12.103 -4.521 1.00 0.00 C ATOM 371 CG GLN A 25 -2.343 11.192 -4.870 1.00 0.00 C ATOM 372 CD GLN A 25 -3.165 11.779 -5.992 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.712 10.971 -6.831 1.00 0.00 O flip ATOM 374 NE2 GLN A 25 -3.313 12.995 -6.106 1.00 0.00 N flip ATOM 0 H GLN A 25 0.779 10.390 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.236 11.735 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.908 11.993 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.441 13.146 -4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.974 10.208 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.970 11.050 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.875 13.627 -5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.873 13.371 -6.871 1.00 0.00 H new ATOM 383 N CYS A 26 1.941 12.612 -4.158 1.00 0.00 N ATOM 384 CA CYS A 26 3.044 13.529 -3.885 1.00 0.00 C ATOM 385 C CYS A 26 4.345 12.902 -4.360 1.00 0.00 C ATOM 386 O CYS A 26 5.092 12.317 -3.578 1.00 0.00 O ATOM 387 CB CYS A 26 3.129 13.836 -2.388 1.00 0.00 C ATOM 388 SG CYS A 26 4.389 15.106 -2.106 1.00 0.00 S ATOM 0 H CYS A 26 1.859 11.838 -3.499 1.00 0.00 H new ATOM 0 HA CYS A 26 2.870 14.464 -4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.162 14.179 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.378 12.931 -1.833 1.00 0.00 H new ATOM 0 HG CYS A 26 4.462 15.370 -0.835 1.00 0.00 H new ATOM 394 N ARG A 27 4.600 13.031 -5.656 1.00 0.00 N ATOM 395 CA ARG A 27 5.807 12.478 -6.254 1.00 0.00 C ATOM 396 C ARG A 27 6.961 13.466 -6.061 1.00 0.00 C ATOM 397 O ARG A 27 7.722 13.770 -6.968 1.00 0.00 O ATOM 398 CB ARG A 27 5.520 12.187 -7.743 1.00 0.00 C ATOM 399 CG ARG A 27 6.800 11.805 -8.517 1.00 0.00 C ATOM 400 CD ARG A 27 7.571 10.721 -7.760 1.00 0.00 C ATOM 401 NE ARG A 27 8.604 10.156 -8.619 1.00 0.00 N ATOM 402 CZ ARG A 27 9.631 9.477 -8.115 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.723 9.292 -6.827 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.544 8.992 -8.910 1.00 0.00 N ATOM 0 H ARG A 27 3.987 13.514 -6.313 1.00 0.00 H new ATOM 0 HA ARG A 27 6.099 11.543 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.795 11.377 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.067 13.065 -8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.539 11.447 -9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.430 12.685 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.023 11.143 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.888 9.937 -7.434 1.00 0.00 H new ATOM 0 HE ARG A 27 8.538 10.284 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.007 9.668 -6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.511 8.771 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.470 9.133 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.332 8.471 -8.524 1.00 0.00 H new ATOM 418 N ASN A 28 7.079 13.986 -4.851 1.00 0.00 N ATOM 419 CA ASN A 28 8.136 14.942 -4.560 1.00 0.00 C ATOM 420 C ASN A 28 9.502 14.290 -4.734 1.00 0.00 C ATOM 421 O ASN A 28 10.418 14.899 -5.283 1.00 0.00 O ATOM 422 CB ASN A 28 7.996 15.452 -3.127 1.00 0.00 C ATOM 423 CG ASN A 28 9.086 16.475 -2.833 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.879 16.293 -1.908 1.00 0.00 O ATOM 425 ND2 ASN A 28 9.177 17.546 -3.574 1.00 0.00 N ATOM 0 H ASN A 28 6.467 13.768 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 28 8.049 15.778 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.014 15.903 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.067 14.620 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.906 18.235 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.519 17.694 -4.339 1.00 0.00 H new ATOM 432 N ALA A 29 9.611 13.053 -4.241 1.00 0.00 N ATOM 433 CA ALA A 29 10.851 12.266 -4.298 1.00 0.00 C ATOM 434 C ALA A 29 11.624 12.406 -2.991 1.00 0.00 C ATOM 435 O ALA A 29 12.128 11.424 -2.445 1.00 0.00 O ATOM 436 CB ALA A 29 11.739 12.692 -5.475 1.00 0.00 C ATOM 0 H ALA A 29 8.838 12.565 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 29 10.572 11.223 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.646 12.088 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.198 12.548 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.005 13.744 -5.368 1.00 0.00 H new ATOM 442 N ASN A 30 11.715 13.638 -2.496 1.00 0.00 N ATOM 443 CA ASN A 30 12.429 13.915 -1.251 1.00 0.00 C ATOM 444 C ASN A 30 11.465 13.944 -0.071 1.00 0.00 C ATOM 445 O ASN A 30 11.816 14.423 1.008 1.00 0.00 O ATOM 446 CB ASN A 30 13.138 15.264 -1.353 1.00 0.00 C ATOM 447 CG ASN A 30 14.220 15.205 -2.425 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.855 14.167 -2.611 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.468 16.263 -3.147 1.00 0.00 N ATOM 0 H ASN A 30 11.304 14.460 -2.937 1.00 0.00 H new ATOM 0 HA ASN A 30 13.160 13.122 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.417 16.045 -1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.581 15.525 -0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.189 16.231 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.940 17.122 -2.991 1.00 0.00 H new ATOM 456 N CYS A 31 10.242 13.446 -0.291 1.00 0.00 N ATOM 457 CA CYS A 31 9.210 13.428 0.753 1.00 0.00 C ATOM 458 C CYS A 31 9.830 13.257 2.142 1.00 0.00 C ATOM 459 O CYS A 31 10.774 12.487 2.316 1.00 0.00 O ATOM 460 CB CYS A 31 8.227 12.289 0.487 1.00 0.00 C ATOM 461 SG CYS A 31 6.754 12.515 1.515 1.00 0.00 S ATOM 0 H CYS A 31 9.943 13.050 -1.182 1.00 0.00 H new ATOM 0 HA CYS A 31 8.685 14.383 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.949 12.272 -0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.695 11.330 0.709 1.00 0.00 H new ATOM 0 HG CYS A 31 5.745 12.841 0.762 1.00 0.00 H new ATOM 467 N SER A 32 9.312 13.998 3.122 1.00 0.00 N ATOM 468 CA SER A 32 9.841 13.936 4.482 1.00 0.00 C ATOM 469 C SER A 32 9.067 12.958 5.349 1.00 0.00 C ATOM 470 O SER A 32 9.289 12.898 6.555 1.00 0.00 O ATOM 471 CB SER A 32 9.795 15.313 5.126 1.00 0.00 C ATOM 472 OG SER A 32 8.482 15.843 5.012 1.00 0.00 O ATOM 0 H SER A 32 8.532 14.644 3.000 1.00 0.00 H new ATOM 0 HA SER A 32 10.872 13.589 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.082 15.246 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.511 15.977 4.642 1.00 0.00 H new ATOM 0 HG SER A 32 8.450 16.730 5.428 1.00 0.00 H new ATOM 478 N LEU A 33 8.171 12.184 4.740 1.00 0.00 N ATOM 479 CA LEU A 33 7.399 11.196 5.483 1.00 0.00 C ATOM 480 C LEU A 33 8.010 9.818 5.247 1.00 0.00 C ATOM 481 O LEU A 33 7.837 9.244 4.172 1.00 0.00 O ATOM 482 CB LEU A 33 5.934 11.225 5.027 1.00 0.00 C ATOM 483 CG LEU A 33 5.252 12.531 5.533 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.462 13.200 4.401 1.00 0.00 C ATOM 485 CD2 LEU A 33 4.284 12.216 6.685 1.00 0.00 C ATOM 0 H LEU A 33 7.964 12.222 3.742 1.00 0.00 H new ATOM 0 HA LEU A 33 7.426 11.425 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.881 11.173 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.405 10.354 5.414 1.00 0.00 H new ATOM 0 HG LEU A 33 6.036 13.204 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.993 14.111 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.138 13.449 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.693 12.517 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.815 13.138 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.516 11.526 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.834 11.760 7.508 1.00 0.00 H new ATOM 497 N PRO A 34 8.740 9.275 6.200 1.00 0.00 N ATOM 498 CA PRO A 34 9.389 7.955 6.020 1.00 0.00 C ATOM 499 C PRO A 34 8.440 6.948 5.384 1.00 0.00 C ATOM 500 O PRO A 34 8.864 6.055 4.654 1.00 0.00 O ATOM 501 CB PRO A 34 9.778 7.543 7.445 1.00 0.00 C ATOM 502 CG PRO A 34 10.001 8.834 8.163 1.00 0.00 C ATOM 503 CD PRO A 34 9.038 9.843 7.533 1.00 0.00 C ATOM 0 HA PRO A 34 10.246 7.997 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.989 6.958 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.677 6.927 7.448 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.807 8.725 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.034 9.164 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.133 9.956 8.129 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.492 10.831 7.453 1.00 0.00 H new ATOM 511 N SER A 35 7.152 7.113 5.657 1.00 0.00 N ATOM 512 CA SER A 35 6.146 6.228 5.095 1.00 0.00 C ATOM 513 C SER A 35 6.071 6.408 3.586 1.00 0.00 C ATOM 514 O SER A 35 5.830 5.451 2.850 1.00 0.00 O ATOM 515 CB SER A 35 4.784 6.513 5.730 1.00 0.00 C ATOM 516 OG SER A 35 4.782 6.038 7.070 1.00 0.00 O ATOM 0 H SER A 35 6.783 7.848 6.261 1.00 0.00 H new ATOM 0 HA SER A 35 6.425 5.196 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.578 7.583 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.994 6.026 5.158 1.00 0.00 H new ATOM 0 HG SER A 35 3.911 6.221 7.481 1.00 0.00 H new ATOM 522 N CYS A 36 6.283 7.638 3.121 1.00 0.00 N ATOM 523 CA CYS A 36 6.242 7.898 1.683 1.00 0.00 C ATOM 524 C CYS A 36 7.455 7.286 0.988 1.00 0.00 C ATOM 525 O CYS A 36 7.315 6.505 0.047 1.00 0.00 O ATOM 526 CB CYS A 36 6.199 9.407 1.419 1.00 0.00 C ATOM 527 SG CYS A 36 4.480 9.955 1.274 1.00 0.00 S ATOM 0 H CYS A 36 6.480 8.452 3.702 1.00 0.00 H new ATOM 0 HA CYS A 36 5.340 7.438 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.694 9.942 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.743 9.641 0.504 1.00 0.00 H new ATOM 0 HG CYS A 36 4.434 11.254 1.313 1.00 0.00 H new ATOM 533 N GLN A 37 8.642 7.660 1.446 1.00 0.00 N ATOM 534 CA GLN A 37 9.871 7.167 0.855 1.00 0.00 C ATOM 535 C GLN A 37 9.855 5.664 0.744 1.00 0.00 C ATOM 536 O GLN A 37 10.374 5.094 -0.215 1.00 0.00 O ATOM 537 CB GLN A 37 11.058 7.552 1.724 1.00 0.00 C ATOM 538 CG GLN A 37 11.176 9.078 1.786 1.00 0.00 C ATOM 539 CD GLN A 37 12.453 9.479 2.519 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.214 8.618 2.959 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.739 10.745 2.671 1.00 0.00 N ATOM 0 H GLN A 37 8.776 8.304 2.226 1.00 0.00 H new ATOM 0 HA GLN A 37 9.956 7.610 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.934 7.146 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.974 7.123 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.182 9.491 0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.309 9.497 2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.107 11.458 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.594 11.020 3.155 1.00 0.00 H new ATOM 550 N LYS A 38 9.265 5.020 1.734 1.00 0.00 N ATOM 551 CA LYS A 38 9.196 3.583 1.739 1.00 0.00 C ATOM 552 C LYS A 38 8.108 3.129 0.771 1.00 0.00 C ATOM 553 O LYS A 38 8.214 2.063 0.162 1.00 0.00 O ATOM 554 CB LYS A 38 9.002 3.081 3.201 1.00 0.00 C ATOM 555 CG LYS A 38 8.006 1.908 3.301 1.00 0.00 C ATOM 556 CD LYS A 38 6.596 2.480 3.429 1.00 0.00 C ATOM 557 CE LYS A 38 5.563 1.360 3.321 1.00 0.00 C ATOM 558 NZ LYS A 38 4.212 1.903 3.638 1.00 0.00 N ATOM 0 H LYS A 38 8.831 5.473 2.538 1.00 0.00 H new ATOM 0 HA LYS A 38 10.126 3.137 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.965 2.769 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.649 3.906 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.079 1.273 2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.241 1.284 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.489 2.993 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.424 3.221 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.571 0.938 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.813 0.552 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.798 1.365 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.295 2.904 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.599 1.819 2.802 1.00 0.00 H new ATOM 572 N MET A 39 7.066 3.948 0.619 1.00 0.00 N ATOM 573 CA MET A 39 5.994 3.607 -0.298 1.00 0.00 C ATOM 574 C MET A 39 6.455 3.851 -1.716 1.00 0.00 C ATOM 575 O MET A 39 6.090 3.126 -2.637 1.00 0.00 O ATOM 576 CB MET A 39 4.705 4.391 0.002 1.00 0.00 C ATOM 577 CG MET A 39 3.828 3.684 1.061 1.00 0.00 C ATOM 578 SD MET A 39 3.548 1.935 0.645 1.00 0.00 S ATOM 579 CE MET A 39 2.914 2.183 -1.029 1.00 0.00 C ATOM 0 H MET A 39 6.948 4.834 1.111 1.00 0.00 H new ATOM 0 HA MET A 39 5.754 2.552 -0.168 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.962 5.390 0.353 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.133 4.514 -0.918 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.309 3.753 2.037 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.870 4.197 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.254 1.357 -1.294 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.359 3.120 -1.073 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.747 2.221 -1.731 1.00 0.00 H new ATOM 589 N LYS A 40 7.291 4.854 -1.894 1.00 0.00 N ATOM 590 CA LYS A 40 7.813 5.111 -3.209 1.00 0.00 C ATOM 591 C LYS A 40 8.683 3.938 -3.574 1.00 0.00 C ATOM 592 O LYS A 40 8.632 3.421 -4.670 1.00 0.00 O ATOM 593 CB LYS A 40 8.604 6.411 -3.251 1.00 0.00 C ATOM 594 CG LYS A 40 7.640 7.586 -3.067 1.00 0.00 C ATOM 595 CD LYS A 40 8.413 8.903 -3.083 1.00 0.00 C ATOM 596 CE LYS A 40 7.446 10.062 -2.840 1.00 0.00 C ATOM 597 NZ LYS A 40 8.206 11.339 -2.808 1.00 0.00 N ATOM 0 H LYS A 40 7.614 5.487 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 40 6.998 5.226 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.360 6.417 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.131 6.501 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.894 7.583 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.102 7.482 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.186 8.893 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.917 9.030 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.693 10.093 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.916 9.917 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.580 12.108 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.005 11.251 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.565 11.553 -3.760 1.00 0.00 H new ATOM 611 N ARG A 41 9.445 3.495 -2.603 1.00 0.00 N ATOM 612 CA ARG A 41 10.304 2.351 -2.776 1.00 0.00 C ATOM 613 C ARG A 41 9.460 1.200 -3.285 1.00 0.00 C ATOM 614 O ARG A 41 9.904 0.430 -4.107 1.00 0.00 O ATOM 615 CB ARG A 41 10.935 2.000 -1.419 1.00 0.00 C ATOM 616 CG ARG A 41 12.326 1.387 -1.620 1.00 0.00 C ATOM 617 CD ARG A 41 12.948 1.069 -0.262 1.00 0.00 C ATOM 618 NE ARG A 41 13.357 2.295 0.416 1.00 0.00 N ATOM 619 CZ ARG A 41 14.521 2.878 0.138 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.307 2.367 -0.772 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.878 3.961 0.771 1.00 0.00 N ATOM 0 H ARG A 41 9.486 3.916 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 41 11.100 2.559 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.011 2.896 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.295 1.299 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.251 0.479 -2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.963 2.079 -2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.230 0.528 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.810 0.416 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 41 12.741 2.712 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.029 1.521 -1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.199 2.814 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.265 4.363 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.770 4.406 0.557 1.00 0.00 H new ATOM 635 N VAL A 42 8.235 1.126 -2.769 1.00 0.00 N ATOM 636 CA VAL A 42 7.269 0.095 -3.151 1.00 0.00 C ATOM 637 C VAL A 42 6.679 0.373 -4.541 1.00 0.00 C ATOM 638 O VAL A 42 6.618 -0.520 -5.387 1.00 0.00 O ATOM 639 CB VAL A 42 6.140 0.030 -2.097 1.00 0.00 C ATOM 640 CG1 VAL A 42 4.988 -0.844 -2.610 1.00 0.00 C ATOM 641 CG2 VAL A 42 6.702 -0.560 -0.795 1.00 0.00 C ATOM 0 H VAL A 42 7.882 1.781 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 42 7.786 -0.864 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 42 5.759 1.034 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.198 -0.883 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.592 -0.419 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.354 -1.852 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.911 -0.609 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.084 -1.563 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.510 0.073 -0.428 1.00 0.00 H new ATOM 651 N VAL A 43 6.245 1.614 -4.767 1.00 0.00 N ATOM 652 CA VAL A 43 5.665 1.994 -6.051 1.00 0.00 C ATOM 653 C VAL A 43 6.759 2.097 -7.114 1.00 0.00 C ATOM 654 O VAL A 43 6.677 1.487 -8.180 1.00 0.00 O ATOM 655 CB VAL A 43 4.932 3.330 -5.915 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.385 3.757 -7.275 1.00 0.00 C ATOM 657 CG2 VAL A 43 3.768 3.168 -4.934 1.00 0.00 C ATOM 0 H VAL A 43 6.285 2.367 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 43 4.952 1.229 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 43 5.625 4.087 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.863 4.709 -7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.209 3.867 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.692 3.000 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.242 4.117 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.080 2.410 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.152 2.861 -3.961 1.00 0.00 H new ATOM 667 N GLN A 44 7.796 2.857 -6.798 1.00 0.00 N ATOM 668 CA GLN A 44 8.915 3.022 -7.702 1.00 0.00 C ATOM 669 C GLN A 44 9.464 1.644 -8.071 1.00 0.00 C ATOM 670 O GLN A 44 9.880 1.425 -9.211 1.00 0.00 O ATOM 671 CB GLN A 44 10.009 3.885 -7.046 1.00 0.00 C ATOM 672 CG GLN A 44 9.463 5.283 -6.746 1.00 0.00 C ATOM 673 CD GLN A 44 9.170 6.021 -8.048 1.00 0.00 C ATOM 674 OE1 GLN A 44 9.989 6.010 -8.967 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.046 6.670 -8.180 1.00 0.00 N ATOM 0 H GLN A 44 7.883 3.369 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 44 8.583 3.531 -8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.352 3.414 -6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.872 3.957 -7.707 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.554 5.207 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.186 5.845 -6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.369 6.678 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.844 7.170 -9.046 1.00 0.00 H new ATOM 684 N HIS A 45 9.437 0.700 -7.117 1.00 0.00 N ATOM 685 CA HIS A 45 9.897 -0.652 -7.394 1.00 0.00 C ATOM 686 C HIS A 45 8.847 -1.399 -8.208 1.00 0.00 C ATOM 687 O HIS A 45 9.179 -2.187 -9.095 1.00 0.00 O ATOM 688 CB HIS A 45 10.145 -1.381 -6.074 1.00 0.00 C ATOM 689 CG HIS A 45 9.981 -2.858 -6.242 1.00 0.00 C ATOM 690 ND1 HIS A 45 10.622 -3.581 -7.234 1.00 0.00 N ATOM 691 CD2 HIS A 45 9.178 -3.746 -5.583 1.00 0.00 C ATOM 692 CE1 HIS A 45 10.191 -4.846 -7.143 1.00 0.00 C ATOM 693 NE2 HIS A 45 9.310 -4.991 -6.155 1.00 0.00 N ATOM 0 H HIS A 45 9.106 0.853 -6.165 1.00 0.00 H new ATOM 0 HA HIS A 45 10.824 -0.610 -7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.151 -1.161 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.450 -1.018 -5.317 1.00 0.00 H new ATOM 0 HD1 HIS A 45 11.296 -3.218 -7.908 1.00 0.00 H new ATOM 0 HD2 HIS A 45 8.540 -3.508 -4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 45 10.517 -5.647 -7.789 1.00 0.00 H new ATOM 701 N THR A 46 7.583 -1.180 -7.872 1.00 0.00 N ATOM 702 CA THR A 46 6.511 -1.880 -8.563 1.00 0.00 C ATOM 703 C THR A 46 6.660 -1.766 -10.064 1.00 0.00 C ATOM 704 O THR A 46 6.436 -2.740 -10.784 1.00 0.00 O ATOM 705 CB THR A 46 5.141 -1.339 -8.108 1.00 0.00 C ATOM 706 OG1 THR A 46 4.800 -1.909 -6.851 1.00 0.00 O ATOM 707 CG2 THR A 46 4.038 -1.654 -9.134 1.00 0.00 C ATOM 0 H THR A 46 7.279 -0.537 -7.141 1.00 0.00 H new ATOM 0 HA THR A 46 6.573 -2.937 -8.304 1.00 0.00 H new ATOM 0 HB THR A 46 5.218 -0.255 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.401 -1.560 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.087 -1.257 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.289 -1.195 -10.090 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.956 -2.734 -9.261 1.00 0.00 H new ATOM 715 N LYS A 47 7.005 -0.592 -10.544 1.00 0.00 N ATOM 716 CA LYS A 47 7.139 -0.421 -11.983 1.00 0.00 C ATOM 717 C LYS A 47 8.434 -1.030 -12.504 1.00 0.00 C ATOM 718 O LYS A 47 8.447 -1.688 -13.546 1.00 0.00 O ATOM 719 CB LYS A 47 7.109 1.056 -12.351 1.00 0.00 C ATOM 720 CG LYS A 47 5.774 1.656 -11.950 1.00 0.00 C ATOM 721 CD LYS A 47 5.750 3.123 -12.360 1.00 0.00 C ATOM 722 CE LYS A 47 4.466 3.740 -11.848 1.00 0.00 C ATOM 723 NZ LYS A 47 4.384 5.168 -12.270 1.00 0.00 N ATOM 0 H LYS A 47 7.194 0.239 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 47 6.297 -0.937 -12.445 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.921 1.582 -11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.266 1.177 -13.423 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.958 1.117 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.627 1.563 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.613 3.646 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.809 3.215 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.609 3.188 -12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.427 3.670 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.735 5.680 -11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.329 5.600 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.032 5.222 -13.247 1.00 0.00 H new ATOM 737 N GLY A 48 9.526 -0.795 -11.785 1.00 0.00 N ATOM 738 CA GLY A 48 10.823 -1.311 -12.200 1.00 0.00 C ATOM 739 C GLY A 48 10.712 -2.764 -12.625 1.00 0.00 C ATOM 740 O GLY A 48 11.549 -3.272 -13.372 1.00 0.00 O ATOM 0 H GLY A 48 9.539 -0.255 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.210 -0.714 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.535 -1.220 -11.380 1.00 0.00 H new ATOM 744 N CYS A 49 9.665 -3.428 -12.149 1.00 0.00 N ATOM 745 CA CYS A 49 9.434 -4.834 -12.489 1.00 0.00 C ATOM 746 C CYS A 49 8.168 -4.981 -13.339 1.00 0.00 C ATOM 747 O CYS A 49 7.102 -4.486 -12.970 1.00 0.00 O ATOM 748 CB CYS A 49 9.305 -5.634 -11.212 1.00 0.00 C ATOM 749 SG CYS A 49 9.447 -7.403 -11.595 1.00 0.00 S ATOM 0 H CYS A 49 8.964 -3.021 -11.530 1.00 0.00 H new ATOM 0 HA CYS A 49 10.276 -5.208 -13.071 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.081 -5.340 -10.505 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.346 -5.429 -10.736 1.00 0.00 H new ATOM 0 HG CYS A 49 9.339 -8.094 -10.499 1.00 0.00 H new ATOM 755 N LYS A 50 8.290 -5.662 -14.482 1.00 0.00 N ATOM 756 CA LYS A 50 7.149 -5.865 -15.374 1.00 0.00 C ATOM 757 C LYS A 50 6.351 -7.099 -14.970 1.00 0.00 C ATOM 758 O LYS A 50 5.134 -7.142 -15.140 1.00 0.00 O ATOM 759 CB LYS A 50 7.640 -5.998 -16.822 1.00 0.00 C ATOM 760 CG LYS A 50 8.213 -4.661 -17.322 1.00 0.00 C ATOM 761 CD LYS A 50 7.076 -3.694 -17.689 1.00 0.00 C ATOM 762 CE LYS A 50 7.665 -2.384 -18.208 1.00 0.00 C ATOM 763 NZ LYS A 50 6.554 -1.446 -18.535 1.00 0.00 N ATOM 0 H LYS A 50 9.162 -6.079 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 50 6.491 -5.000 -15.296 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.404 -6.773 -16.883 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.816 -6.310 -17.464 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.842 -4.217 -16.551 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.848 -4.833 -18.191 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.435 -4.142 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.451 -3.503 -16.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.321 -1.943 -17.457 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.273 -2.570 -19.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.948 -0.551 -18.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.946 -1.869 -19.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.992 -1.262 -17.680 1.00 0.00 H new ATOM 777 N ARG A 51 7.038 -8.090 -14.421 1.00 0.00 N ATOM 778 CA ARG A 51 6.376 -9.304 -13.974 1.00 0.00 C ATOM 779 C ARG A 51 5.554 -9.016 -12.727 1.00 0.00 C ATOM 780 O ARG A 51 4.428 -9.492 -12.579 1.00 0.00 O ATOM 781 CB ARG A 51 7.413 -10.394 -13.682 1.00 0.00 C ATOM 782 CG ARG A 51 6.728 -11.639 -13.060 1.00 0.00 C ATOM 783 CD ARG A 51 6.948 -11.666 -11.539 1.00 0.00 C ATOM 784 NE ARG A 51 8.372 -11.770 -11.243 1.00 0.00 N ATOM 785 CZ ARG A 51 9.008 -12.932 -11.330 1.00 0.00 C ATOM 786 NH1 ARG A 51 8.362 -14.003 -11.704 1.00 0.00 N ATOM 787 NH2 ARG A 51 10.281 -13.002 -11.053 1.00 0.00 N ATOM 0 H ARG A 51 8.047 -8.077 -14.275 1.00 0.00 H new ATOM 0 HA ARG A 51 5.712 -9.656 -14.763 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.924 -10.674 -14.603 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.172 -10.010 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.660 -11.623 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.132 -12.547 -13.509 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.540 -10.762 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.415 -12.510 -11.101 1.00 0.00 H new ATOM 0 HE ARG A 51 8.888 -10.936 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.369 -13.947 -11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.850 -14.896 -11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.788 -12.164 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.769 -13.895 -11.120 1.00 0.00 H new ATOM 801 N LYS A 52 6.139 -8.229 -11.833 1.00 0.00 N ATOM 802 CA LYS A 52 5.482 -7.862 -10.593 1.00 0.00 C ATOM 803 C LYS A 52 4.322 -6.919 -10.864 1.00 0.00 C ATOM 804 O LYS A 52 3.284 -6.991 -10.208 1.00 0.00 O ATOM 805 CB LYS A 52 6.514 -7.239 -9.634 1.00 0.00 C ATOM 806 CG LYS A 52 5.883 -6.154 -8.741 1.00 0.00 C ATOM 807 CD LYS A 52 6.812 -5.815 -7.557 1.00 0.00 C ATOM 808 CE LYS A 52 6.036 -5.115 -6.424 1.00 0.00 C ATOM 809 NZ LYS A 52 6.813 -5.240 -5.161 1.00 0.00 N ATOM 0 H LYS A 52 7.072 -7.833 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 52 5.068 -8.752 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.946 -8.020 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.331 -6.805 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.693 -5.256 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.919 -6.499 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.270 -6.728 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.622 -5.171 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.879 -4.064 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.051 -5.566 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.717 -4.365 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.450 -6.042 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.816 -5.400 -5.385 1.00 0.00 H new ATOM 823 N THR A 53 4.510 -6.026 -11.820 1.00 0.00 N ATOM 824 CA THR A 53 3.471 -5.073 -12.145 1.00 0.00 C ATOM 825 C THR A 53 2.203 -5.811 -12.544 1.00 0.00 C ATOM 826 O THR A 53 1.094 -5.374 -12.234 1.00 0.00 O ATOM 827 CB THR A 53 3.942 -4.123 -13.266 1.00 0.00 C ATOM 828 OG1 THR A 53 4.761 -3.107 -12.704 1.00 0.00 O ATOM 829 CG2 THR A 53 2.749 -3.477 -13.995 1.00 0.00 C ATOM 0 H THR A 53 5.361 -5.943 -12.376 1.00 0.00 H new ATOM 0 HA THR A 53 3.253 -4.466 -11.266 1.00 0.00 H new ATOM 0 HB THR A 53 4.507 -4.705 -13.994 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.513 -3.518 -12.228 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.117 -2.814 -14.778 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.130 -4.256 -14.440 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.155 -2.903 -13.283 1.00 0.00 H new ATOM 837 N ASN A 54 2.375 -6.926 -13.232 1.00 0.00 N ATOM 838 CA ASN A 54 1.233 -7.713 -13.662 1.00 0.00 C ATOM 839 C ASN A 54 0.510 -8.283 -12.450 1.00 0.00 C ATOM 840 O ASN A 54 -0.529 -8.932 -12.585 1.00 0.00 O ATOM 841 CB ASN A 54 1.696 -8.860 -14.561 1.00 0.00 C ATOM 842 CG ASN A 54 2.239 -8.309 -15.874 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.955 -7.167 -16.235 1.00 0.00 O ATOM 844 ND2 ASN A 54 3.010 -9.058 -16.614 1.00 0.00 N ATOM 0 H ASN A 54 3.283 -7.304 -13.502 1.00 0.00 H new ATOM 0 HA ASN A 54 0.554 -7.069 -14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.467 -9.441 -14.055 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.865 -9.537 -14.758 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.379 -8.697 -17.494 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.244 -10.004 -16.312 1.00 0.00 H new ATOM 851 N GLY A 55 1.072 -8.053 -11.256 1.00 0.00 N ATOM 852 CA GLY A 55 0.468 -8.575 -10.023 1.00 0.00 C ATOM 853 C GLY A 55 1.267 -9.763 -9.507 1.00 0.00 C ATOM 854 O GLY A 55 0.949 -10.339 -8.468 1.00 0.00 O ATOM 0 H GLY A 55 1.929 -7.518 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.437 -7.792 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.562 -8.876 -10.213 1.00 0.00 H new ATOM 858 N GLY A 56 2.292 -10.137 -10.260 1.00 0.00 N ATOM 859 CA GLY A 56 3.120 -11.280 -9.899 1.00 0.00 C ATOM 860 C GLY A 56 3.509 -11.259 -8.423 1.00 0.00 C ATOM 861 O GLY A 56 3.567 -12.305 -7.776 1.00 0.00 O ATOM 0 H GLY A 56 2.570 -9.668 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.582 -12.202 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.021 -11.283 -10.512 1.00 0.00 H new ATOM 865 N CYS A 57 3.810 -10.070 -7.900 1.00 0.00 N ATOM 866 CA CYS A 57 4.232 -9.933 -6.523 1.00 0.00 C ATOM 867 C CYS A 57 3.060 -9.728 -5.571 1.00 0.00 C ATOM 868 O CYS A 57 2.191 -8.901 -5.838 1.00 0.00 O ATOM 869 CB CYS A 57 5.118 -8.714 -6.393 1.00 0.00 C ATOM 870 SG CYS A 57 5.766 -8.624 -4.712 1.00 0.00 S ATOM 0 H CYS A 57 3.766 -9.192 -8.417 1.00 0.00 H new ATOM 0 HA CYS A 57 4.750 -10.855 -6.260 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.938 -8.769 -7.109 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.552 -7.812 -6.625 1.00 0.00 H new ATOM 0 HG CYS A 57 6.509 -9.665 -4.477 1.00 0.00 H new ATOM 876 N PRO A 58 3.046 -10.381 -4.436 1.00 0.00 N ATOM 877 CA PRO A 58 1.978 -10.155 -3.429 1.00 0.00 C ATOM 878 C PRO A 58 1.825 -8.658 -3.153 1.00 0.00 C ATOM 879 O PRO A 58 0.739 -8.184 -2.819 1.00 0.00 O ATOM 880 CB PRO A 58 2.491 -10.898 -2.185 1.00 0.00 C ATOM 881 CG PRO A 58 3.379 -11.972 -2.720 1.00 0.00 C ATOM 882 CD PRO A 58 4.004 -11.413 -3.995 1.00 0.00 C ATOM 0 HA PRO A 58 0.998 -10.508 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.037 -10.228 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.667 -11.317 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.148 -12.239 -1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.811 -12.878 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.989 -10.988 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.132 -12.188 -4.750 1.00 0.00 H new ATOM 890 N ILE A 59 2.927 -7.919 -3.317 1.00 0.00 N ATOM 891 CA ILE A 59 2.901 -6.483 -3.110 1.00 0.00 C ATOM 892 C ILE A 59 2.069 -5.835 -4.198 1.00 0.00 C ATOM 893 O ILE A 59 1.237 -4.987 -3.915 1.00 0.00 O ATOM 894 CB ILE A 59 4.323 -5.894 -3.118 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.092 -6.405 -1.903 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.265 -4.365 -3.060 1.00 0.00 C ATOM 897 CD1 ILE A 59 6.580 -6.046 -2.041 1.00 0.00 C ATOM 0 H ILE A 59 3.835 -8.294 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 59 2.459 -6.281 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 59 4.824 -6.201 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.685 -5.965 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.976 -7.485 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.278 -3.962 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.719 -3.989 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.757 -4.055 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.125 -6.413 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.983 -6.507 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.688 -4.963 -2.107 1.00 0.00 H new ATOM 909 N CYS A 60 2.274 -6.253 -5.451 1.00 0.00 N ATOM 910 CA CYS A 60 1.505 -5.686 -6.539 1.00 0.00 C ATOM 911 C CYS A 60 0.108 -6.273 -6.542 1.00 0.00 C ATOM 912 O CYS A 60 -0.873 -5.566 -6.748 1.00 0.00 O ATOM 913 CB CYS A 60 2.206 -5.897 -7.888 1.00 0.00 C ATOM 914 SG CYS A 60 3.351 -4.527 -8.162 1.00 0.00 S ATOM 0 H CYS A 60 2.951 -6.965 -5.723 1.00 0.00 H new ATOM 0 HA CYS A 60 1.428 -4.609 -6.387 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.743 -6.845 -7.891 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.472 -5.944 -8.693 1.00 0.00 H new ATOM 0 HG CYS A 60 3.463 -3.830 -7.070 1.00 0.00 H new ATOM 920 N LYS A 61 0.017 -7.565 -6.285 1.00 0.00 N ATOM 921 CA LYS A 61 -1.288 -8.206 -6.245 1.00 0.00 C ATOM 922 C LYS A 61 -2.133 -7.549 -5.157 1.00 0.00 C ATOM 923 O LYS A 61 -3.291 -7.194 -5.380 1.00 0.00 O ATOM 924 CB LYS A 61 -1.134 -9.700 -5.957 1.00 0.00 C ATOM 925 CG LYS A 61 -2.381 -10.441 -6.444 1.00 0.00 C ATOM 926 CD LYS A 61 -2.333 -11.895 -5.982 1.00 0.00 C ATOM 927 CE LYS A 61 -1.159 -12.622 -6.644 1.00 0.00 C ATOM 928 NZ LYS A 61 -1.363 -14.095 -6.535 1.00 0.00 N ATOM 0 H LYS A 61 0.810 -8.181 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.779 -8.089 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.247 -10.089 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.994 -9.863 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.277 -9.956 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.439 -10.397 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.231 -11.936 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.268 -12.395 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.081 -12.331 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.223 -12.337 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.566 -14.590 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.417 -14.365 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.248 -14.359 -7.013 1.00 0.00 H new ATOM 942 N GLN A 62 -1.531 -7.378 -3.985 1.00 0.00 N ATOM 943 CA GLN A 62 -2.217 -6.748 -2.864 1.00 0.00 C ATOM 944 C GLN A 62 -2.455 -5.264 -3.143 1.00 0.00 C ATOM 945 O GLN A 62 -3.524 -4.732 -2.843 1.00 0.00 O ATOM 946 CB GLN A 62 -1.385 -6.904 -1.587 1.00 0.00 C ATOM 947 CG GLN A 62 -2.149 -6.322 -0.395 1.00 0.00 C ATOM 948 CD GLN A 62 -1.384 -6.600 0.896 1.00 0.00 C ATOM 949 OE1 GLN A 62 -0.572 -7.524 0.951 1.00 0.00 O ATOM 950 NE2 GLN A 62 -1.592 -5.848 1.943 1.00 0.00 N ATOM 0 H GLN A 62 -0.573 -7.666 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.181 -7.239 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.166 -7.957 -1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.428 -6.394 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.281 -5.248 -0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.145 -6.762 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.265 -5.083 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.081 -6.026 2.808 1.00 0.00 H new ATOM 959 N LEU A 63 -1.448 -4.598 -3.714 1.00 0.00 N ATOM 960 CA LEU A 63 -1.563 -3.170 -4.018 1.00 0.00 C ATOM 961 C LEU A 63 -2.663 -2.933 -5.046 1.00 0.00 C ATOM 962 O LEU A 63 -3.485 -2.034 -4.888 1.00 0.00 O ATOM 963 CB LEU A 63 -0.231 -2.635 -4.550 1.00 0.00 C ATOM 964 CG LEU A 63 -0.283 -1.117 -4.727 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.470 -0.420 -3.365 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.035 -0.657 -5.367 1.00 0.00 C ATOM 0 H LEU A 63 -0.555 -5.018 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.819 -2.640 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.572 -2.897 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.000 -3.108 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.127 -0.853 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.505 0.660 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.402 -0.755 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.364 -0.671 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.016 0.425 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.868 -0.928 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.157 -1.141 -6.336 1.00 0.00 H new ATOM 978 N ILE A 64 -2.689 -3.762 -6.085 1.00 0.00 N ATOM 979 CA ILE A 64 -3.714 -3.644 -7.112 1.00 0.00 C ATOM 980 C ILE A 64 -5.090 -3.806 -6.471 1.00 0.00 C ATOM 981 O ILE A 64 -6.040 -3.110 -6.826 1.00 0.00 O ATOM 982 CB ILE A 64 -3.485 -4.693 -8.211 1.00 0.00 C ATOM 983 CG1 ILE A 64 -2.245 -4.307 -9.027 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.699 -4.766 -9.144 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.818 -5.483 -9.910 1.00 0.00 C ATOM 0 H ILE A 64 -2.018 -4.515 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.659 -2.659 -7.576 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.339 -5.667 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.462 -3.436 -9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.431 -4.028 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.520 -5.514 -9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.583 -5.042 -8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.858 -3.794 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.937 -5.203 -10.487 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.583 -6.343 -9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.630 -5.741 -10.590 1.00 0.00 H new ATOM 997 N ALA A 65 -5.182 -4.723 -5.515 1.00 0.00 N ATOM 998 CA ALA A 65 -6.433 -4.960 -4.810 1.00 0.00 C ATOM 999 C ALA A 65 -6.752 -3.775 -3.907 1.00 0.00 C ATOM 1000 O ALA A 65 -7.861 -3.241 -3.930 1.00 0.00 O ATOM 1001 CB ALA A 65 -6.331 -6.236 -3.971 1.00 0.00 C ATOM 0 H ALA A 65 -4.407 -5.312 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.232 -5.079 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.272 -6.404 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.122 -7.084 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.526 -6.130 -3.244 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.761 -3.344 -3.138 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.948 -2.197 -2.264 1.00 0.00 C ATOM 1009 C LEU A 66 -6.358 -1.016 -3.129 1.00 0.00 C ATOM 1010 O LEU A 66 -7.256 -0.240 -2.787 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.640 -1.895 -1.516 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.739 -0.568 -0.757 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.942 -0.586 0.187 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.454 -0.373 0.056 1.00 0.00 C ATOM 0 H LEU A 66 -4.833 -3.765 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.720 -2.398 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.421 -2.703 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.813 -1.853 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.865 0.249 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.000 0.363 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.855 -0.735 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.829 -1.399 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.509 0.568 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.341 -1.196 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.597 -0.352 -0.617 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.709 -0.926 -4.280 1.00 0.00 N ATOM 1027 CA ALA A 67 -6.007 0.114 -5.242 1.00 0.00 C ATOM 1028 C ALA A 67 -7.429 -0.063 -5.750 1.00 0.00 C ATOM 1029 O ALA A 67 -8.127 0.912 -6.015 1.00 0.00 O ATOM 1030 CB ALA A 67 -5.038 0.025 -6.418 1.00 0.00 C ATOM 0 H ALA A 67 -4.969 -1.566 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.904 1.087 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.267 0.810 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.017 0.150 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.137 -0.948 -6.898 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.856 -1.319 -5.885 1.00 0.00 N ATOM 1037 CA ALA A 68 -9.207 -1.596 -6.365 1.00 0.00 C ATOM 1038 C ALA A 68 -10.225 -0.885 -5.482 1.00 0.00 C ATOM 1039 O ALA A 68 -11.135 -0.219 -5.980 1.00 0.00 O ATOM 1040 CB ALA A 68 -9.480 -3.101 -6.364 1.00 0.00 C ATOM 0 H ALA A 68 -7.297 -2.145 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.295 -1.228 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.492 -3.288 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.764 -3.601 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.379 -3.488 -5.350 1.00 0.00 H new ATOM 1046 N TYR A 69 -10.061 -1.018 -4.170 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.969 -0.366 -3.235 1.00 0.00 C ATOM 1048 C TYR A 69 -10.907 1.154 -3.398 1.00 0.00 C ATOM 1049 O TYR A 69 -11.939 1.825 -3.402 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.611 -0.749 -1.795 1.00 0.00 C ATOM 1051 CG TYR A 69 -11.000 -2.188 -1.543 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -12.324 -2.507 -1.219 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -10.038 -3.203 -1.632 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.687 -3.837 -0.987 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -10.402 -4.535 -1.398 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.727 -4.852 -1.076 1.00 0.00 C ATOM 1057 OH TYR A 69 -12.086 -6.164 -0.846 1.00 0.00 O ATOM 0 H TYR A 69 -9.318 -1.564 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.983 -0.701 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.542 -0.616 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.128 -0.094 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -13.066 -1.725 -1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.016 -2.958 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.709 -4.082 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.661 -5.317 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.301 -6.741 -0.949 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.695 1.694 -3.534 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.533 3.138 -3.700 1.00 0.00 C ATOM 1069 C HIS A 70 -10.054 3.611 -5.058 1.00 0.00 C ATOM 1070 O HIS A 70 -10.792 4.593 -5.142 1.00 0.00 O ATOM 1071 CB HIS A 70 -8.058 3.516 -3.561 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.906 5.003 -3.730 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.755 5.907 -3.112 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -7.014 5.758 -4.451 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.359 7.143 -3.469 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.301 7.109 -4.283 1.00 0.00 N ATOM 0 H HIS A 70 -8.824 1.163 -3.533 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.117 3.629 -2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.683 3.210 -2.585 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.464 2.991 -4.310 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.212 5.363 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.839 8.052 -3.137 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.809 7.903 -4.693 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.662 2.912 -6.116 1.00 0.00 N ATOM 1085 CA ALA A 71 -10.086 3.276 -7.468 1.00 0.00 C ATOM 1086 C ALA A 71 -11.599 3.154 -7.613 1.00 0.00 C ATOM 1087 O ALA A 71 -12.192 3.734 -8.522 1.00 0.00 O ATOM 1088 CB ALA A 71 -9.393 2.387 -8.503 1.00 0.00 C ATOM 0 H ALA A 71 -9.055 2.094 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.801 4.314 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.719 2.671 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.313 2.512 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.652 1.344 -8.319 1.00 0.00 H new ATOM 1094 N LYS A 72 -12.220 2.405 -6.706 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.671 2.229 -6.733 1.00 0.00 C ATOM 1096 C LYS A 72 -14.345 3.405 -6.031 1.00 0.00 C ATOM 1097 O LYS A 72 -15.116 4.142 -6.645 1.00 0.00 O ATOM 1098 CB LYS A 72 -14.053 0.908 -6.046 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.914 -0.254 -7.044 1.00 0.00 C ATOM 1100 CD LYS A 72 -14.050 -1.606 -6.324 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.817 -2.735 -7.327 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.935 -4.046 -6.630 1.00 0.00 N ATOM 0 H LYS A 72 -11.747 1.913 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.010 2.194 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.411 0.737 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.077 0.962 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.677 -0.169 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.947 -0.198 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.328 -1.672 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.041 -1.697 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.545 -2.674 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.830 -2.638 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.777 -4.816 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.224 -4.102 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.886 -4.137 -6.220 1.00 0.00 H new ATOM 1116 N HIS A 73 -14.048 3.583 -4.747 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.633 4.678 -3.999 1.00 0.00 C ATOM 1118 C HIS A 73 -14.381 5.995 -4.711 1.00 0.00 C ATOM 1119 O HIS A 73 -15.264 6.853 -4.771 1.00 0.00 O ATOM 1120 CB HIS A 73 -14.052 4.714 -2.581 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.605 5.893 -1.830 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -13.786 6.875 -1.295 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -15.889 6.263 -1.515 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -14.577 7.781 -0.693 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -15.869 7.456 -0.796 1.00 0.00 N ATOM 0 H HIS A 73 -13.414 2.989 -4.213 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.710 4.524 -3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.296 3.791 -2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.965 4.778 -2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.779 5.713 -1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.212 8.663 -0.188 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.669 7.971 -0.427 1.00 0.00 H new ATOM 1133 N CYS A 74 -13.195 6.144 -5.288 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.884 7.352 -6.032 1.00 0.00 C ATOM 1135 C CYS A 74 -13.559 7.259 -7.391 1.00 0.00 C ATOM 1136 O CYS A 74 -13.113 6.516 -8.267 1.00 0.00 O ATOM 1137 CB CYS A 74 -11.371 7.493 -6.204 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.987 9.142 -6.841 1.00 0.00 S ATOM 0 H CYS A 74 -12.445 5.454 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.246 8.227 -5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.869 7.334 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.000 6.731 -6.889 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.842 9.086 -8.132 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.656 7.991 -7.554 1.00 0.00 N ATOM 1145 CA GLN A 75 -15.404 7.951 -8.800 1.00 0.00 C ATOM 1146 C GLN A 75 -14.717 8.799 -9.854 1.00 0.00 C ATOM 1147 O GLN A 75 -15.174 8.899 -10.993 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.828 8.468 -8.578 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.541 7.593 -7.544 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.753 6.190 -8.099 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.366 5.157 -7.402 1.00 0.00 O flip ATOM 1152 NE2 GLN A 75 -18.287 6.029 -9.197 1.00 0.00 N flip ATOM 0 H GLN A 75 -15.042 8.613 -6.844 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.446 6.917 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.800 9.502 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -17.379 8.458 -9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -16.951 7.545 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -18.501 8.037 -7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -18.589 6.837 -9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.427 5.087 -9.563 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.616 9.409 -9.452 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.834 10.269 -10.341 1.00 0.00 C ATOM 1163 C GLU A 76 -11.458 9.681 -10.566 1.00 0.00 C ATOM 1164 O GLU A 76 -10.836 9.155 -9.643 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.709 11.673 -9.739 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.913 12.574 -10.688 1.00 0.00 C ATOM 1167 CD GLU A 76 -11.923 14.010 -10.173 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -12.319 14.208 -9.036 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.538 14.890 -10.925 1.00 0.00 O ATOM 0 H GLU A 76 -13.236 9.327 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.348 10.337 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.699 12.095 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.212 11.621 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.887 12.215 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.344 12.534 -11.688 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.982 9.777 -11.802 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.676 9.252 -12.129 1.00 0.00 C ATOM 1178 C ASN A 77 -8.626 10.239 -11.672 1.00 0.00 C ATOM 1179 O ASN A 77 -8.247 11.138 -12.423 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.549 9.028 -13.638 1.00 0.00 C ATOM 1181 CG ASN A 77 -8.135 8.569 -13.982 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -7.338 9.350 -14.503 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -7.773 7.343 -13.718 1.00 0.00 N ATOM 0 H ASN A 77 -11.479 10.209 -12.581 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.537 8.295 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.272 8.281 -13.965 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.780 9.950 -14.171 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.829 7.030 -13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.435 6.698 -13.286 1.00 0.00 H new ATOM 1190 N LYS A 78 -8.173 10.080 -10.427 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.176 10.981 -9.861 1.00 0.00 C ATOM 1192 C LYS A 78 -6.196 11.438 -10.932 1.00 0.00 C ATOM 1193 O LYS A 78 -6.185 12.621 -11.259 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.438 10.294 -8.702 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.309 10.262 -7.439 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.318 11.648 -6.763 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.112 11.589 -5.458 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.252 12.968 -4.911 1.00 0.00 N ATOM 0 H LYS A 78 -8.481 9.339 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.684 11.863 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.169 9.277 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.508 10.823 -8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.327 9.969 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.928 9.513 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.296 11.970 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.759 12.386 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.095 11.153 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.604 10.948 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.792 12.936 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.309 13.367 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.754 13.565 -5.599 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.425 10.481 -11.490 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.456 10.738 -12.577 1.00 0.00 C ATOM 1214 C CYS A 79 -3.048 10.216 -12.246 1.00 0.00 C ATOM 1215 O CYS A 79 -2.516 9.404 -13.004 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.393 12.217 -12.994 1.00 0.00 C ATOM 1217 SG CYS A 79 -3.121 12.432 -14.260 1.00 0.00 S ATOM 0 H CYS A 79 -5.457 9.504 -11.198 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.834 10.175 -13.430 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.361 12.539 -13.377 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.169 12.841 -12.129 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.068 13.682 -14.615 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.415 10.637 -11.168 1.00 0.00 N ATOM 1224 CA PRO A 80 -1.047 10.150 -10.833 1.00 0.00 C ATOM 1225 C PRO A 80 -1.032 8.648 -10.545 1.00 0.00 C ATOM 1226 O PRO A 80 -0.094 7.957 -10.930 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.666 10.957 -9.582 1.00 0.00 C ATOM 1228 CG PRO A 80 -1.962 11.321 -8.973 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.894 11.584 -10.149 1.00 0.00 C ATOM 0 HA PRO A 80 -0.347 10.288 -11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.057 10.366 -8.898 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.086 11.843 -9.841 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.341 10.517 -8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.866 12.204 -8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.936 11.402 -9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.828 12.616 -10.494 1.00 0.00 H new ATOM 1237 N VAL A 81 -2.077 8.155 -9.870 1.00 0.00 N ATOM 1238 CA VAL A 81 -2.167 6.738 -9.533 1.00 0.00 C ATOM 1239 C VAL A 81 -2.182 5.893 -10.820 1.00 0.00 C ATOM 1240 O VAL A 81 -3.165 5.928 -11.561 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.442 6.472 -8.724 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.325 5.117 -8.009 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.647 7.589 -7.690 1.00 0.00 C ATOM 0 H VAL A 81 -2.866 8.717 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.300 6.461 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.298 6.451 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.232 4.929 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.193 4.326 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.467 5.133 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.555 7.394 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.792 7.620 -7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.740 8.547 -8.202 1.00 0.00 H new ATOM 1253 N PRO A 82 -1.129 5.158 -11.125 1.00 0.00 N ATOM 1254 CA PRO A 82 -1.072 4.330 -12.378 1.00 0.00 C ATOM 1255 C PRO A 82 -2.234 3.345 -12.529 1.00 0.00 C ATOM 1256 O PRO A 82 -2.897 3.294 -13.566 1.00 0.00 O ATOM 1257 CB PRO A 82 0.256 3.561 -12.244 1.00 0.00 C ATOM 1258 CG PRO A 82 1.091 4.369 -11.310 1.00 0.00 C ATOM 1259 CD PRO A 82 0.116 5.015 -10.335 1.00 0.00 C ATOM 0 HA PRO A 82 -1.142 4.966 -13.261 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.090 2.557 -11.854 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.745 3.450 -13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.810 3.740 -10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.662 5.124 -11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.039 4.394 -9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.481 5.981 -9.985 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.441 2.542 -11.498 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.483 1.516 -11.524 1.00 0.00 C ATOM 1269 C PHE A 83 -4.865 2.112 -11.778 1.00 0.00 C ATOM 1270 O PHE A 83 -5.634 1.579 -12.578 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.493 0.748 -10.193 1.00 0.00 C ATOM 1272 CG PHE A 83 -2.085 0.667 -9.643 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -1.052 0.144 -10.432 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.813 1.125 -8.347 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.252 0.075 -9.923 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.510 1.056 -7.840 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.522 0.532 -8.628 1.00 0.00 C ATOM 0 H PHE A 83 -1.904 2.577 -10.631 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.254 0.838 -12.346 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.145 1.249 -9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.894 -0.254 -10.343 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.261 -0.206 -11.432 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.608 1.531 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.048 -0.331 -10.530 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.301 1.407 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.527 0.480 -8.236 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.190 3.205 -11.099 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.500 3.816 -11.287 1.00 0.00 C ATOM 1289 C CYS A 84 -6.753 4.053 -12.770 1.00 0.00 C ATOM 1290 O CYS A 84 -7.814 3.728 -13.285 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.604 5.132 -10.502 1.00 0.00 C ATOM 1292 SG CYS A 84 -5.917 6.506 -11.472 1.00 0.00 S ATOM 0 H CYS A 84 -4.582 3.677 -10.429 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.262 3.136 -10.905 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.647 5.336 -10.259 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.068 5.042 -9.557 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.641 6.323 -11.641 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.764 4.602 -13.454 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.897 4.856 -14.881 1.00 0.00 C ATOM 1300 C LEU A 85 -6.128 3.538 -15.621 1.00 0.00 C ATOM 1301 O LEU A 85 -6.870 3.477 -16.592 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.615 5.523 -15.416 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.576 7.017 -15.034 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.136 7.548 -15.144 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.469 7.833 -15.983 1.00 0.00 C ATOM 0 H LEU A 85 -4.869 4.878 -13.051 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.746 5.520 -15.045 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.739 5.016 -15.011 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.570 5.419 -16.500 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.936 7.118 -14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.116 8.604 -14.873 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.489 6.988 -14.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.782 7.430 -16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.432 8.886 -15.702 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.113 7.718 -17.007 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.496 7.475 -15.914 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.481 2.487 -15.156 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.608 1.186 -15.785 1.00 0.00 C ATOM 1319 C ASN A 86 -6.982 0.582 -15.548 1.00 0.00 C ATOM 1320 O ASN A 86 -7.462 -0.191 -16.367 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.540 0.239 -15.253 1.00 0.00 C ATOM 1322 CG ASN A 86 -3.159 0.751 -15.644 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.983 1.302 -16.731 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -2.165 0.605 -14.814 1.00 0.00 N ATOM 0 H ASN A 86 -4.862 2.508 -14.345 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.476 1.326 -16.858 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.616 0.162 -14.168 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.695 -0.762 -15.655 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.237 0.948 -15.064 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.315 0.148 -13.914 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.594 0.913 -14.410 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.916 0.378 -14.066 1.00 0.00 C ATOM 1333 C ILE A 87 -10.038 1.350 -14.437 1.00 0.00 C ATOM 1334 O ILE A 87 -11.033 0.952 -15.045 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.972 0.058 -12.569 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.959 -1.049 -12.263 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.377 -0.419 -12.188 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.824 -1.226 -10.751 1.00 0.00 C ATOM 0 H ILE A 87 -7.200 1.545 -13.713 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.067 -0.534 -14.643 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.734 0.954 -11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.280 -1.985 -12.720 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.991 -0.798 -12.697 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.408 -0.644 -11.122 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.101 0.364 -12.415 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.623 -1.316 -12.756 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.102 -2.015 -10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.482 -0.292 -10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.792 -1.497 -10.329 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.896 2.614 -14.044 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.945 3.605 -14.330 1.00 0.00 C ATOM 1352 C LYS A 88 -11.014 3.973 -15.816 1.00 0.00 C ATOM 1353 O LYS A 88 -12.102 4.012 -16.392 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.767 4.894 -13.468 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.751 4.905 -12.282 1.00 0.00 C ATOM 1356 CD LYS A 88 -13.159 5.262 -12.776 1.00 0.00 C ATOM 1357 CE LYS A 88 -14.124 5.250 -11.593 1.00 0.00 C ATOM 1358 NZ LYS A 88 -15.498 5.554 -12.079 1.00 0.00 N ATOM 0 H LYS A 88 -9.087 2.976 -13.538 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.889 3.131 -14.061 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.744 4.949 -13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.929 5.776 -14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.762 3.928 -11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.424 5.627 -11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.154 6.245 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.484 4.548 -13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.106 4.276 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.817 5.986 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.160 5.547 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.508 6.492 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.788 4.835 -12.773 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.869 4.255 -16.434 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.865 4.628 -17.852 1.00 0.00 C ATOM 1374 C GLN A 89 -9.807 3.399 -18.737 1.00 0.00 C ATOM 1375 O GLN A 89 -10.097 3.485 -19.929 1.00 0.00 O ATOM 1376 CB GLN A 89 -8.681 5.535 -18.177 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.913 6.933 -17.603 1.00 0.00 C ATOM 1378 CD GLN A 89 -7.797 7.867 -18.058 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -6.938 7.470 -18.845 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -7.759 9.093 -17.612 1.00 0.00 N ATOM 0 H GLN A 89 -8.951 4.234 -15.991 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.792 5.167 -18.047 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.765 5.112 -17.764 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.545 5.595 -19.257 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.878 7.316 -17.933 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.943 6.889 -16.514 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.472 9.421 -16.960 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.017 9.723 -17.916 1.00 0.00 H new ATOM 1389 N LYS A 90 -9.418 2.268 -18.147 1.00 0.00 N ATOM 1390 CA LYS A 90 -9.306 0.995 -18.879 1.00 0.00 C ATOM 1391 C LYS A 90 -10.128 0.996 -20.173 1.00 0.00 C ATOM 1392 O LYS A 90 -9.539 0.834 -21.228 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.785 -0.157 -17.983 1.00 0.00 C ATOM 1394 CG LYS A 90 -9.074 -1.462 -18.378 1.00 0.00 C ATOM 1395 CD LYS A 90 -9.447 -2.577 -17.401 1.00 0.00 C ATOM 1396 CE LYS A 90 -8.666 -3.841 -17.760 1.00 0.00 C ATOM 1397 NZ LYS A 90 -9.060 -4.947 -16.843 1.00 0.00 N ATOM 1398 OXT LYS A 90 -11.333 1.164 -20.081 1.00 0.00 O ATOM 0 H LYS A 90 -9.173 2.203 -17.159 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.258 0.864 -19.147 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.581 0.076 -16.938 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.864 -0.278 -18.078 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.355 -1.747 -19.392 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.994 -1.312 -18.377 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.220 -2.273 -16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.518 -2.772 -17.445 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.866 -4.123 -18.794 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.595 -3.654 -17.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.528 -5.807 -17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.848 -4.676 -15.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.079 -5.131 -16.939 1.00 0.00 H new ATOM 1572 N PRO B 12 -2.670 -10.925 14.653 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.408 -9.868 15.678 1.00 0.00 C ATOM 1574 C PRO B 12 -1.795 -8.600 15.067 1.00 0.00 C ATOM 1575 O PRO B 12 -0.605 -8.582 14.748 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.425 -10.550 16.632 1.00 0.00 C ATOM 1577 CG PRO B 12 -1.808 -11.992 16.586 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.261 -12.257 15.148 1.00 0.00 C ATOM 0 HA PRO B 12 -3.321 -9.524 16.163 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.393 -10.402 16.313 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.507 -10.148 17.642 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -0.965 -12.629 16.854 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.608 -12.207 17.294 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -1.455 -12.677 14.546 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.087 -12.967 15.114 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.563 -7.544 14.895 1.00 0.00 N ATOM 1587 CA PRO B 13 -2.038 -6.272 14.307 1.00 0.00 C ATOM 1588 C PRO B 13 -0.828 -5.746 15.076 1.00 0.00 C ATOM 1589 O PRO B 13 -0.886 -5.556 16.291 1.00 0.00 O ATOM 1590 CB PRO B 13 -3.230 -5.301 14.409 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.437 -6.177 14.491 1.00 0.00 C ATOM 1592 CD PRO B 13 -3.995 -7.437 15.226 1.00 0.00 C ATOM 0 HA PRO B 13 -1.685 -6.404 13.284 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.145 -4.663 15.289 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.278 -4.643 13.541 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.246 -5.678 15.025 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.813 -6.417 13.496 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.153 -7.351 16.301 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.551 -8.313 14.891 1.00 0.00 H new ATOM 1600 N LEU B 14 0.265 -5.508 14.355 1.00 0.00 N ATOM 1601 CA LEU B 14 1.496 -4.999 14.965 1.00 0.00 C ATOM 1602 C LEU B 14 1.696 -3.531 14.603 1.00 0.00 C ATOM 1603 O LEU B 14 2.774 -2.978 14.813 1.00 0.00 O ATOM 1604 CB LEU B 14 2.694 -5.813 14.468 1.00 0.00 C ATOM 1605 CG LEU B 14 2.404 -7.312 14.604 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.587 -8.105 14.045 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.199 -7.678 16.079 1.00 0.00 C ATOM 0 H LEU B 14 0.326 -5.659 13.348 1.00 0.00 H new ATOM 0 HA LEU B 14 1.415 -5.091 16.048 1.00 0.00 H new ATOM 0 HB2 LEU B 14 2.903 -5.568 13.427 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.584 -5.553 15.042 1.00 0.00 H new ATOM 0 HG LEU B 14 1.498 -7.554 14.049 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.387 -9.172 14.139 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.729 -7.854 12.994 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.489 -7.855 14.603 1.00 0.00 H new ATOM 0 HD21 LEU B 14 1.994 -8.745 16.164 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.100 -7.436 16.643 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.357 -7.113 16.480 1.00 0.00 H new ATOM 1619 N SER B 15 0.655 -2.920 14.032 1.00 0.00 N ATOM 1620 CA SER B 15 0.709 -1.519 13.605 1.00 0.00 C ATOM 1621 C SER B 15 1.268 -1.431 12.191 1.00 0.00 C ATOM 1622 O SER B 15 0.926 -0.528 11.428 1.00 0.00 O ATOM 1623 CB SER B 15 1.580 -0.682 14.553 1.00 0.00 C ATOM 1624 OG SER B 15 2.936 -0.751 14.133 1.00 0.00 O ATOM 0 H SER B 15 -0.240 -3.376 13.854 1.00 0.00 H new ATOM 0 HA SER B 15 -0.305 -1.120 13.627 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.241 0.354 14.556 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.485 -1.052 15.574 1.00 0.00 H new ATOM 0 HG SER B 15 3.387 -1.483 14.603 1.00 0.00 H new ATOM 1630 N GLN B 16 2.123 -2.393 11.847 1.00 0.00 N ATOM 1631 CA GLN B 16 2.733 -2.453 10.521 1.00 0.00 C ATOM 1632 C GLN B 16 2.181 -3.656 9.776 1.00 0.00 C ATOM 1633 O GLN B 16 2.816 -4.191 8.867 1.00 0.00 O ATOM 1634 CB GLN B 16 4.253 -2.582 10.652 1.00 0.00 C ATOM 1635 CG GLN B 16 4.827 -1.288 11.234 1.00 0.00 C ATOM 1636 CD GLN B 16 6.340 -1.410 11.381 1.00 0.00 C ATOM 1637 OE1 GLN B 16 6.933 -2.386 10.921 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.004 -0.475 12.003 1.00 0.00 N ATOM 0 H GLN B 16 2.410 -3.145 12.473 1.00 0.00 H new ATOM 0 HA GLN B 16 2.502 -1.540 9.972 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.503 -3.425 11.296 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.697 -2.783 9.677 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.583 -0.447 10.584 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.374 -1.083 12.204 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.512 0.333 12.384 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.016 -0.552 12.109 1.00 0.00 H new ATOM 1647 N GLU B 17 0.993 -4.089 10.192 1.00 0.00 N ATOM 1648 CA GLU B 17 0.349 -5.248 9.588 1.00 0.00 C ATOM 1649 C GLU B 17 0.526 -5.251 8.073 1.00 0.00 C ATOM 1650 O GLU B 17 1.054 -6.207 7.505 1.00 0.00 O ATOM 1651 CB GLU B 17 -1.142 -5.256 9.939 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.804 -6.504 9.350 1.00 0.00 C ATOM 1653 CD GLU B 17 -3.222 -6.647 9.890 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.737 -5.673 10.414 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.773 -7.729 9.771 1.00 0.00 O ATOM 0 H GLU B 17 0.459 -3.654 10.944 1.00 0.00 H new ATOM 0 HA GLU B 17 0.822 -6.146 9.986 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.271 -5.241 11.021 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.622 -4.359 9.548 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.826 -6.435 8.262 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.219 -7.389 9.602 1.00 0.00 H new ATOM 1662 N THR B 18 0.092 -4.173 7.424 1.00 0.00 N ATOM 1663 CA THR B 18 0.225 -4.069 5.975 1.00 0.00 C ATOM 1664 C THR B 18 1.629 -3.652 5.592 1.00 0.00 C ATOM 1665 O THR B 18 2.299 -4.357 4.830 1.00 0.00 O ATOM 1666 CB THR B 18 -0.788 -3.066 5.417 1.00 0.00 C ATOM 1667 OG1 THR B 18 -2.090 -3.417 5.860 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.736 -3.074 3.888 1.00 0.00 C ATOM 0 H THR B 18 -0.349 -3.370 7.872 1.00 0.00 H new ATOM 0 HA THR B 18 0.026 -5.051 5.546 1.00 0.00 H new ATOM 0 HB THR B 18 -0.544 -2.065 5.773 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.160 -3.261 6.825 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.459 -2.359 3.496 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.265 -2.798 3.557 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.977 -4.072 3.521 1.00 0.00 H new ATOM 1676 N PHE B 19 2.074 -2.511 6.123 1.00 0.00 N ATOM 1677 CA PHE B 19 3.408 -2.006 5.825 1.00 0.00 C ATOM 1678 C PHE B 19 4.384 -3.162 5.683 1.00 0.00 C ATOM 1679 O PHE B 19 5.071 -3.297 4.659 1.00 0.00 O ATOM 1680 CB PHE B 19 3.868 -1.073 6.954 1.00 0.00 C ATOM 1681 CG PHE B 19 3.065 0.206 6.909 1.00 0.00 C ATOM 1682 CD1 PHE B 19 1.766 0.237 7.432 1.00 0.00 C ATOM 1683 CD2 PHE B 19 3.620 1.366 6.352 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.020 1.421 7.388 1.00 0.00 C ATOM 1685 CE2 PHE B 19 2.874 2.548 6.309 1.00 0.00 C ATOM 1686 CZ PHE B 19 1.576 2.577 6.831 1.00 0.00 C ATOM 0 H PHE B 19 1.531 -1.925 6.757 1.00 0.00 H new ATOM 0 HA PHE B 19 3.379 -1.452 4.887 1.00 0.00 H new ATOM 0 HB2 PHE B 19 3.739 -1.562 7.920 1.00 0.00 H new ATOM 0 HB3 PHE B 19 4.930 -0.852 6.848 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.339 -0.653 7.870 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.624 1.347 5.956 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.015 1.442 7.784 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.300 3.439 5.873 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.003 3.492 6.804 1.00 0.00 H new ATOM 1696 N SER B 20 4.431 -3.993 6.732 1.00 0.00 N ATOM 1697 CA SER B 20 5.319 -5.146 6.770 1.00 0.00 C ATOM 1698 C SER B 20 5.518 -5.732 5.386 1.00 0.00 C ATOM 1699 O SER B 20 6.621 -5.758 4.870 1.00 0.00 O ATOM 1700 CB SER B 20 4.727 -6.219 7.682 1.00 0.00 C ATOM 1701 OG SER B 20 3.487 -6.659 7.146 1.00 0.00 O ATOM 0 H SER B 20 3.857 -3.881 7.568 1.00 0.00 H new ATOM 0 HA SER B 20 6.285 -4.815 7.151 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.417 -7.059 7.770 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.581 -5.820 8.686 1.00 0.00 H new ATOM 0 HG SER B 20 2.751 -6.211 7.614 1.00 0.00 H new ATOM 1707 N ASP B 21 4.433 -6.196 4.798 1.00 0.00 N ATOM 1708 CA ASP B 21 4.485 -6.801 3.478 1.00 0.00 C ATOM 1709 C ASP B 21 4.909 -5.813 2.387 1.00 0.00 C ATOM 1710 O ASP B 21 5.705 -6.152 1.517 1.00 0.00 O ATOM 1711 CB ASP B 21 3.107 -7.369 3.136 1.00 0.00 C ATOM 1712 CG ASP B 21 2.812 -8.591 4.001 1.00 0.00 C ATOM 1713 OD1 ASP B 21 3.738 -9.102 4.609 1.00 0.00 O ATOM 1714 OD2 ASP B 21 1.661 -8.994 4.047 1.00 0.00 O ATOM 0 H ASP B 21 3.502 -6.166 5.213 1.00 0.00 H new ATOM 0 HA ASP B 21 5.238 -7.588 3.509 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.342 -6.609 3.295 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.070 -7.643 2.082 1.00 0.00 H new ATOM 1719 N LEU B 22 4.341 -4.615 2.398 1.00 0.00 N ATOM 1720 CA LEU B 22 4.637 -3.638 1.355 1.00 0.00 C ATOM 1721 C LEU B 22 6.109 -3.609 0.959 1.00 0.00 C ATOM 1722 O LEU B 22 6.454 -3.933 -0.178 1.00 0.00 O ATOM 1723 CB LEU B 22 4.249 -2.233 1.809 1.00 0.00 C ATOM 1724 CG LEU B 22 2.799 -2.203 2.284 1.00 0.00 C ATOM 1725 CD1 LEU B 22 2.400 -0.756 2.647 1.00 0.00 C ATOM 1726 CD2 LEU B 22 1.861 -2.730 1.179 1.00 0.00 C ATOM 0 H LEU B 22 3.680 -4.297 3.107 1.00 0.00 H new ATOM 0 HA LEU B 22 4.052 -3.949 0.489 1.00 0.00 H new ATOM 0 HB2 LEU B 22 4.908 -1.911 2.615 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.383 -1.530 0.987 1.00 0.00 H new ATOM 0 HG LEU B 22 2.706 -2.841 3.163 1.00 0.00 H new ATOM 0 HD11 LEU B 22 1.364 -0.738 2.986 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.048 -0.389 3.443 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.506 -0.118 1.769 1.00 0.00 H new ATOM 0 HD21 LEU B 22 0.830 -2.702 1.533 1.00 0.00 H new ATOM 0 HD22 LEU B 22 1.957 -2.104 0.292 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.132 -3.756 0.931 1.00 0.00 H new ATOM 1738 N TRP B 23 6.971 -3.149 1.866 1.00 0.00 N ATOM 1739 CA TRP B 23 8.400 -3.010 1.533 1.00 0.00 C ATOM 1740 C TRP B 23 9.243 -4.243 1.869 1.00 0.00 C ATOM 1741 O TRP B 23 10.370 -4.322 1.419 1.00 0.00 O ATOM 1742 CB TRP B 23 8.987 -1.746 2.210 1.00 0.00 C ATOM 1743 CG TRP B 23 9.665 -2.088 3.501 1.00 0.00 C ATOM 1744 CD1 TRP B 23 10.998 -2.231 3.674 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.057 -2.340 4.787 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.241 -2.557 4.997 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.069 -2.642 5.722 1.00 0.00 C ATOM 1748 CE3 TRP B 23 7.732 -2.344 5.218 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 9.768 -2.927 7.054 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.420 -2.631 6.550 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.435 -2.931 7.468 1.00 0.00 C ATOM 0 H TRP B 23 6.720 -2.871 2.815 1.00 0.00 H new ATOM 0 HA TRP B 23 8.449 -2.907 0.449 1.00 0.00 H new ATOM 0 HB2 TRP B 23 9.699 -1.268 1.538 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.190 -1.026 2.395 1.00 0.00 H new ATOM 0 HD1 TRP B 23 11.749 -2.111 2.907 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.170 -2.715 5.388 1.00 0.00 H new ATOM 0 HE3 TRP B 23 6.940 -2.124 4.518 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 10.558 -3.142 7.758 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.390 -2.621 6.874 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.187 -3.165 8.493 1.00 0.00 H new ATOM 1762 N LYS B 24 8.746 -5.181 2.679 1.00 0.00 N ATOM 1763 CA LYS B 24 9.571 -6.353 3.031 1.00 0.00 C ATOM 1764 C LYS B 24 9.358 -7.533 2.081 1.00 0.00 C ATOM 1765 O LYS B 24 10.106 -8.509 2.147 1.00 0.00 O ATOM 1766 CB LYS B 24 9.317 -6.812 4.471 1.00 0.00 C ATOM 1767 CG LYS B 24 9.676 -5.675 5.452 1.00 0.00 C ATOM 1768 CD LYS B 24 9.861 -6.224 6.883 1.00 0.00 C ATOM 1769 CE LYS B 24 8.500 -6.432 7.571 1.00 0.00 C ATOM 1770 NZ LYS B 24 8.582 -7.626 8.460 1.00 0.00 N ATOM 0 H LYS B 24 7.814 -5.162 3.093 1.00 0.00 H new ATOM 0 HA LYS B 24 10.605 -6.022 2.935 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.271 -7.094 4.594 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.914 -7.697 4.691 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.592 -5.182 5.125 1.00 0.00 H new ATOM 0 HG3 LYS B 24 8.889 -4.921 5.446 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.403 -7.169 6.847 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.466 -5.531 7.467 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.233 -5.549 8.151 1.00 0.00 H new ATOM 0 HE3 LYS B 24 7.718 -6.572 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 7.665 -7.773 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 8.820 -8.465 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.318 -7.474 9.179 1.00 0.00 H new ATOM 1784 N LEU B 25 8.360 -7.463 1.191 1.00 0.00 N ATOM 1785 CA LEU B 25 8.129 -8.569 0.245 1.00 0.00 C ATOM 1786 C LEU B 25 8.779 -8.301 -1.114 1.00 0.00 C ATOM 1787 O LEU B 25 8.754 -9.170 -1.985 1.00 0.00 O ATOM 1788 CB LEU B 25 6.624 -8.815 0.063 1.00 0.00 C ATOM 1789 CG LEU B 25 6.059 -9.688 1.200 1.00 0.00 C ATOM 1790 CD1 LEU B 25 4.526 -9.826 1.035 1.00 0.00 C ATOM 1791 CD2 LEU B 25 6.717 -11.094 1.180 1.00 0.00 C ATOM 0 H LEU B 25 7.715 -6.678 1.104 1.00 0.00 H new ATOM 0 HA LEU B 25 8.592 -9.460 0.669 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.098 -7.861 0.038 1.00 0.00 H new ATOM 0 HB3 LEU B 25 6.446 -9.302 -0.896 1.00 0.00 H new ATOM 0 HG LEU B 25 6.281 -9.211 2.155 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.128 -10.444 1.840 1.00 0.00 H new ATOM 0 HD12 LEU B 25 4.066 -8.839 1.073 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.304 -10.293 0.075 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.308 -11.699 1.989 1.00 0.00 H new ATOM 0 HD22 LEU B 25 6.512 -11.578 0.225 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.794 -10.993 1.312 1.00 0.00 H new ATOM 1803 N LEU B 26 9.357 -7.115 -1.292 1.00 0.00 N ATOM 1804 CA LEU B 26 10.008 -6.757 -2.539 1.00 0.00 C ATOM 1805 C LEU B 26 10.684 -7.988 -3.188 1.00 0.00 C ATOM 1806 O LEU B 26 11.614 -8.560 -2.631 1.00 0.00 O ATOM 1807 CB LEU B 26 10.980 -5.587 -2.275 1.00 0.00 C ATOM 1808 CG LEU B 26 12.327 -6.042 -1.672 1.00 0.00 C ATOM 1809 CD1 LEU B 26 13.402 -5.089 -2.123 1.00 0.00 C ATOM 1810 CD2 LEU B 26 12.308 -6.083 -0.144 1.00 0.00 C ATOM 0 H LEU B 26 9.385 -6.385 -0.580 1.00 0.00 H new ATOM 0 HA LEU B 26 9.271 -6.418 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU B 26 11.167 -5.060 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU B 26 10.507 -4.876 -1.598 1.00 0.00 H new ATOM 0 HG LEU B 26 12.519 -7.057 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU B 26 14.360 -5.397 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.462 -5.096 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.163 -4.082 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.281 -6.410 0.223 1.00 0.00 H new ATOM 0 HD22 LEU B 26 12.089 -5.088 0.244 1.00 0.00 H new ATOM 0 HD23 LEU B 26 11.541 -6.781 0.192 1.00 0.00 H new ATOM 1822 N PRO B 27 10.241 -8.448 -4.333 1.00 0.00 N ATOM 1823 CA PRO B 27 10.880 -9.621 -4.971 1.00 0.00 C ATOM 1824 C PRO B 27 12.369 -9.361 -5.146 1.00 0.00 C ATOM 1825 O PRO B 27 13.214 -10.126 -4.681 1.00 0.00 O ATOM 1826 CB PRO B 27 10.177 -9.751 -6.338 1.00 0.00 C ATOM 1827 CG PRO B 27 8.905 -8.974 -6.223 1.00 0.00 C ATOM 1828 CD PRO B 27 9.115 -7.941 -5.116 1.00 0.00 C ATOM 0 HA PRO B 27 10.785 -10.532 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO B 27 10.804 -9.357 -7.138 1.00 0.00 H new ATOM 0 HB3 PRO B 27 9.976 -10.796 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO B 27 8.664 -8.485 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO B 27 8.070 -9.633 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO B 27 9.334 -6.957 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO B 27 8.222 -7.836 -4.500 1.00 0.00 H new