USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 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 7 THR OG1 : rot -108:sc= 0.709 USER MOD Set 1.2: A 9 GLN : amide:sc= 0.801 K(o=1.7,f=1.2) USER MOD Set 1.3: A 10 SER OG : rot 180:sc= 0.229 USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00428) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -80:sc= 1.26 USER MOD Single : A 16 SER OG : rot 87:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.95 (180deg=1.42) USER MOD Single : A 34 MET CE :methyl -152:sc= -0.0925 (180deg=-0.306) USER MOD Single : A 44 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 3.67 (180deg=3.52) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.19) USER MOD Single : A 60 ASN : amide:sc= 0.327! C(o=0.33!,f=-5.1!) USER MOD Single : A 61 GLN : amide:sc= 0.637 K(o=0.64,f=-0.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.465 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 132:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.15) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : A 87 SER OG : rot 14:sc= 0.613 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 1.71 (180deg=1.67) USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 2.46 (180deg=2.38) USER MOD Single : A 97 GLN : amide:sc= 0.868 K(o=0.87,f=-0.012) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.0148 X(o=-0.015,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.284 2.186 0.954 1.00 0.00 N ATOM 31 CA ILE A 3 7.191 2.670 1.991 1.00 0.00 C ATOM 32 C ILE A 3 6.571 3.965 2.534 1.00 0.00 C ATOM 33 O ILE A 3 6.001 4.763 1.781 1.00 0.00 O ATOM 34 CB ILE A 3 8.607 2.897 1.415 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.214 1.570 0.899 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.584 3.514 2.439 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.939 1.775 -0.428 1.00 0.00 C ATOM 0 HA ILE A 3 7.311 1.944 2.795 1.00 0.00 H new ATOM 0 HB ILE A 3 8.480 3.603 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.909 1.173 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.424 0.830 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.561 3.649 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.203 4.480 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.679 2.849 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.355 0.826 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.236 2.149 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.744 2.497 -0.295 1.00 0.00 H new ATOM 49 N VAL A 4 6.710 4.184 3.837 1.00 0.00 N ATOM 50 CA VAL A 4 6.158 5.303 4.584 1.00 0.00 C ATOM 51 C VAL A 4 7.287 5.830 5.476 1.00 0.00 C ATOM 52 O VAL A 4 8.257 5.120 5.763 1.00 0.00 O ATOM 53 CB VAL A 4 4.920 4.831 5.390 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.151 5.985 6.052 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.912 4.049 4.526 1.00 0.00 C ATOM 0 H VAL A 4 7.241 3.548 4.432 1.00 0.00 H new ATOM 0 HA VAL A 4 5.808 6.107 3.936 1.00 0.00 H new ATOM 0 HB VAL A 4 5.342 4.183 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.297 5.586 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.810 6.513 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.800 6.675 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.066 3.743 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.559 4.684 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.397 3.165 4.111 1.00 0.00 H new ATOM 65 N LYS A 5 7.156 7.076 5.924 1.00 0.00 N ATOM 66 CA LYS A 5 8.100 7.759 6.802 1.00 0.00 C ATOM 67 C LYS A 5 7.340 8.008 8.099 1.00 0.00 C ATOM 68 O LYS A 5 6.225 8.534 8.045 1.00 0.00 O ATOM 69 CB LYS A 5 8.539 9.095 6.166 1.00 0.00 C ATOM 70 CG LYS A 5 9.076 8.998 4.725 1.00 0.00 C ATOM 71 CD LYS A 5 10.339 8.139 4.554 1.00 0.00 C ATOM 72 CE LYS A 5 11.556 8.681 5.324 1.00 0.00 C ATOM 73 NZ LYS A 5 12.022 9.996 4.808 1.00 0.00 N ATOM 0 H LYS A 5 6.358 7.660 5.675 1.00 0.00 H new ATOM 0 HA LYS A 5 9.002 7.172 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.689 9.778 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.311 9.540 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.290 8.591 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.289 10.005 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.128 7.124 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.587 8.078 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.299 8.779 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.371 7.961 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.863 10.299 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.262 9.908 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.267 10.702 4.924 1.00 0.00 H new ATOM 87 N ALA A 6 7.902 7.621 9.243 1.00 0.00 N ATOM 88 CA ALA A 6 7.201 7.695 10.526 1.00 0.00 C ATOM 89 C ALA A 6 8.104 8.192 11.652 1.00 0.00 C ATOM 90 O ALA A 6 9.330 8.218 11.532 1.00 0.00 O ATOM 91 CB ALA A 6 6.616 6.321 10.879 1.00 0.00 C ATOM 0 H ALA A 6 8.850 7.250 9.308 1.00 0.00 H new ATOM 0 HA ALA A 6 6.395 8.421 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.095 6.382 11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.915 6.014 10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.421 5.590 10.950 1.00 0.00 H new ATOM 97 N THR A 7 7.467 8.542 12.767 1.00 0.00 N ATOM 98 CA THR A 7 8.098 8.871 14.037 1.00 0.00 C ATOM 99 C THR A 7 7.291 8.196 15.146 1.00 0.00 C ATOM 100 O THR A 7 6.249 7.598 14.879 1.00 0.00 O ATOM 101 CB THR A 7 8.143 10.397 14.240 1.00 0.00 C ATOM 102 OG1 THR A 7 6.863 10.983 14.077 1.00 0.00 O ATOM 103 CG2 THR A 7 9.104 11.099 13.283 1.00 0.00 C ATOM 0 H THR A 7 6.450 8.606 12.809 1.00 0.00 H new ATOM 0 HA THR A 7 9.128 8.514 14.054 1.00 0.00 H new ATOM 0 HB THR A 7 8.498 10.535 15.262 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.838 11.487 13.237 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.091 12.172 13.476 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.113 10.716 13.434 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.795 10.911 12.255 1.00 0.00 H new ATOM 111 N ASP A 8 7.707 8.355 16.400 1.00 0.00 N ATOM 112 CA ASP A 8 6.939 7.952 17.581 1.00 0.00 C ATOM 113 C ASP A 8 5.484 8.449 17.541 1.00 0.00 C ATOM 114 O ASP A 8 4.583 7.791 18.063 1.00 0.00 O ATOM 115 CB ASP A 8 7.626 8.494 18.838 1.00 0.00 C ATOM 116 CG ASP A 8 6.810 8.189 20.107 1.00 0.00 C ATOM 117 OD1 ASP A 8 6.760 7.017 20.541 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.239 9.134 20.697 1.00 0.00 O ATOM 0 H ASP A 8 8.607 8.777 16.631 1.00 0.00 H new ATOM 0 HA ASP A 8 6.908 6.863 17.594 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.619 8.054 18.929 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.762 9.571 18.743 1.00 0.00 H new ATOM 123 N GLN A 9 5.250 9.592 16.886 1.00 0.00 N ATOM 124 CA GLN A 9 3.939 10.213 16.728 1.00 0.00 C ATOM 125 C GLN A 9 2.958 9.339 15.930 1.00 0.00 C ATOM 126 O GLN A 9 1.746 9.451 16.133 1.00 0.00 O ATOM 127 CB GLN A 9 4.093 11.564 16.008 1.00 0.00 C ATOM 128 CG GLN A 9 5.075 12.538 16.683 1.00 0.00 C ATOM 129 CD GLN A 9 5.275 13.797 15.840 1.00 0.00 C ATOM 130 OE1 GLN A 9 4.773 14.873 16.158 1.00 0.00 O ATOM 131 NE2 GLN A 9 6.012 13.691 14.744 1.00 0.00 N ATOM 0 H GLN A 9 5.996 10.124 16.438 1.00 0.00 H new ATOM 0 HA GLN A 9 3.529 10.345 17.729 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.427 11.381 14.987 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.115 12.041 15.943 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.698 12.813 17.668 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.034 12.043 16.835 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.423 12.793 14.491 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.168 14.508 14.153 1.00 0.00 H new ATOM 140 N SER A 10 3.459 8.483 15.035 1.00 0.00 N ATOM 141 CA SER A 10 2.668 7.777 14.036 1.00 0.00 C ATOM 142 C SER A 10 2.957 6.276 13.951 1.00 0.00 C ATOM 143 O SER A 10 2.111 5.523 13.467 1.00 0.00 O ATOM 144 CB SER A 10 2.951 8.472 12.699 1.00 0.00 C ATOM 145 OG SER A 10 4.346 8.661 12.467 1.00 0.00 O ATOM 0 H SER A 10 4.453 8.259 14.988 1.00 0.00 H new ATOM 0 HA SER A 10 1.615 7.826 14.314 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.528 7.879 11.888 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.449 9.439 12.682 1.00 0.00 H new ATOM 0 HG SER A 10 4.477 9.106 11.603 1.00 0.00 H new ATOM 151 N PHE A 11 4.115 5.826 14.440 1.00 0.00 N ATOM 152 CA PHE A 11 4.630 4.475 14.248 1.00 0.00 C ATOM 153 C PHE A 11 3.613 3.401 14.630 1.00 0.00 C ATOM 154 O PHE A 11 3.384 2.468 13.858 1.00 0.00 O ATOM 155 CB PHE A 11 5.921 4.320 15.062 1.00 0.00 C ATOM 156 CG PHE A 11 6.651 3.020 14.812 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.603 2.955 13.779 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.386 1.882 15.598 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.308 1.765 13.551 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.080 0.685 15.352 1.00 0.00 C ATOM 161 CZ PHE A 11 8.050 0.629 14.337 1.00 0.00 C ATOM 0 H PHE A 11 4.736 6.412 14.997 1.00 0.00 H new ATOM 0 HA PHE A 11 4.836 4.333 13.187 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.588 5.150 14.829 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.681 4.392 16.123 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.791 3.821 13.162 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.651 1.929 16.388 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.052 1.721 12.769 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.867 -0.193 15.944 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.597 -0.286 14.161 1.00 0.00 H new ATOM 171 N SER A 12 2.980 3.531 15.796 1.00 0.00 N ATOM 172 CA SER A 12 2.056 2.527 16.305 1.00 0.00 C ATOM 173 C SER A 12 0.822 2.391 15.412 1.00 0.00 C ATOM 174 O SER A 12 0.353 1.279 15.168 1.00 0.00 O ATOM 175 CB SER A 12 1.666 2.883 17.745 1.00 0.00 C ATOM 176 OG SER A 12 2.818 3.222 18.507 1.00 0.00 O ATOM 0 H SER A 12 3.096 4.336 16.411 1.00 0.00 H new ATOM 0 HA SER A 12 2.553 1.557 16.299 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.967 3.719 17.742 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.153 2.040 18.207 1.00 0.00 H new ATOM 0 HG SER A 12 2.550 3.448 19.422 1.00 0.00 H new ATOM 182 N ALA A 13 0.312 3.507 14.884 1.00 0.00 N ATOM 183 CA ALA A 13 -0.811 3.491 13.965 1.00 0.00 C ATOM 184 C ALA A 13 -0.391 2.849 12.646 1.00 0.00 C ATOM 185 O ALA A 13 -1.103 1.994 12.117 1.00 0.00 O ATOM 186 CB ALA A 13 -1.342 4.912 13.745 1.00 0.00 C ATOM 0 H ALA A 13 0.670 4.440 15.086 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.618 2.897 14.395 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.184 4.883 13.053 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.669 5.330 14.697 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.551 5.535 13.328 1.00 0.00 H new ATOM 192 N GLU A 14 0.780 3.231 12.134 1.00 0.00 N ATOM 193 CA GLU A 14 1.276 2.737 10.858 1.00 0.00 C ATOM 194 C GLU A 14 1.503 1.224 10.904 1.00 0.00 C ATOM 195 O GLU A 14 1.218 0.542 9.920 1.00 0.00 O ATOM 196 CB GLU A 14 2.564 3.470 10.436 1.00 0.00 C ATOM 197 CG GLU A 14 2.340 4.929 9.999 1.00 0.00 C ATOM 198 CD GLU A 14 1.362 5.095 8.818 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.163 4.133 8.040 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.781 6.194 8.671 1.00 0.00 O ATOM 0 H GLU A 14 1.407 3.891 12.595 1.00 0.00 H new ATOM 0 HA GLU A 14 0.513 2.943 10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.268 3.455 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.029 2.923 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.964 5.497 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.300 5.365 9.724 1.00 0.00 H new ATOM 207 N THR A 15 1.962 0.690 12.035 1.00 0.00 N ATOM 208 CA THR A 15 2.280 -0.720 12.197 1.00 0.00 C ATOM 209 C THR A 15 1.062 -1.587 12.535 1.00 0.00 C ATOM 210 O THR A 15 1.200 -2.808 12.640 1.00 0.00 O ATOM 211 CB THR A 15 3.434 -0.872 13.201 1.00 0.00 C ATOM 212 OG1 THR A 15 3.206 -0.159 14.397 1.00 0.00 O ATOM 213 CG2 THR A 15 4.758 -0.387 12.595 1.00 0.00 C ATOM 0 H THR A 15 2.125 1.240 12.878 1.00 0.00 H new ATOM 0 HA THR A 15 2.612 -1.106 11.233 1.00 0.00 H new ATOM 0 HB THR A 15 3.491 -1.936 13.433 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.423 0.787 14.260 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.558 -0.506 13.326 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.988 -0.975 11.707 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.669 0.664 12.321 1.00 0.00 H new ATOM 221 N SER A 16 -0.135 -1.001 12.648 1.00 0.00 N ATOM 222 CA SER A 16 -1.350 -1.700 13.049 1.00 0.00 C ATOM 223 C SER A 16 -2.251 -2.000 11.842 1.00 0.00 C ATOM 224 O SER A 16 -3.476 -2.030 11.964 1.00 0.00 O ATOM 225 CB SER A 16 -2.061 -0.911 14.157 1.00 0.00 C ATOM 226 OG SER A 16 -1.248 -0.824 15.311 1.00 0.00 O ATOM 0 H SER A 16 -0.284 -0.010 12.459 1.00 0.00 H new ATOM 0 HA SER A 16 -1.086 -2.673 13.462 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.302 0.090 13.800 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.005 -1.396 14.407 1.00 0.00 H new ATOM 0 HG SER A 16 -0.651 -0.051 15.233 1.00 0.00 H new ATOM 232 N GLU A 17 -1.649 -2.217 10.668 1.00 0.00 N ATOM 233 CA GLU A 17 -2.360 -2.430 9.406 1.00 0.00 C ATOM 234 C GLU A 17 -1.794 -3.650 8.660 1.00 0.00 C ATOM 235 O GLU A 17 -1.405 -3.564 7.493 1.00 0.00 O ATOM 236 CB GLU A 17 -2.393 -1.136 8.570 1.00 0.00 C ATOM 237 CG GLU A 17 -3.178 -0.013 9.267 1.00 0.00 C ATOM 238 CD GLU A 17 -3.478 1.160 8.320 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.521 1.774 7.798 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.670 1.482 8.105 1.00 0.00 O ATOM 0 H GLU A 17 -0.634 -2.250 10.568 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.403 -2.671 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.373 -0.801 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.844 -1.344 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.115 -0.413 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.608 0.350 10.122 1.00 0.00 H new ATOM 247 N GLY A 18 -1.728 -4.793 9.352 1.00 0.00 N ATOM 248 CA GLY A 18 -1.281 -6.066 8.795 1.00 0.00 C ATOM 249 C GLY A 18 0.169 -6.314 9.186 1.00 0.00 C ATOM 250 O GLY A 18 0.625 -5.797 10.209 1.00 0.00 O ATOM 0 H GLY A 18 -1.990 -4.856 10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.911 -6.876 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.378 -6.054 7.709 1.00 0.00 H new ATOM 254 N VAL A 19 0.881 -7.131 8.407 1.00 0.00 N ATOM 255 CA VAL A 19 2.333 -7.226 8.532 1.00 0.00 C ATOM 256 C VAL A 19 2.895 -5.905 8.007 1.00 0.00 C ATOM 257 O VAL A 19 2.476 -5.409 6.956 1.00 0.00 O ATOM 258 CB VAL A 19 2.913 -8.438 7.771 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.452 -8.490 7.849 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.367 -9.751 8.356 1.00 0.00 C ATOM 0 H VAL A 19 0.477 -7.732 7.688 1.00 0.00 H new ATOM 0 HA VAL A 19 2.616 -7.389 9.572 1.00 0.00 H new ATOM 0 HB VAL A 19 2.612 -8.322 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.815 -9.359 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.869 -7.583 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.761 -8.565 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.786 -10.595 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.647 -9.825 9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.281 -9.764 8.268 1.00 0.00 H new ATOM 270 N VAL A 20 3.867 -5.357 8.725 1.00 0.00 N ATOM 271 CA VAL A 20 4.543 -4.114 8.413 1.00 0.00 C ATOM 272 C VAL A 20 6.017 -4.358 8.730 1.00 0.00 C ATOM 273 O VAL A 20 6.336 -5.119 9.643 1.00 0.00 O ATOM 274 CB VAL A 20 3.916 -2.974 9.249 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.569 -1.624 8.928 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.398 -2.850 8.993 1.00 0.00 C ATOM 0 H VAL A 20 4.218 -5.791 9.579 1.00 0.00 H new ATOM 0 HA VAL A 20 4.442 -3.811 7.371 1.00 0.00 H new ATOM 0 HB VAL A 20 4.089 -3.229 10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.106 -0.843 9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.635 -1.673 9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.431 -1.395 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.992 -2.039 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.223 -2.639 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.906 -3.785 9.263 1.00 0.00 H new ATOM 286 N LEU A 21 6.929 -3.737 7.985 1.00 0.00 N ATOM 287 CA LEU A 21 8.361 -3.960 8.127 1.00 0.00 C ATOM 288 C LEU A 21 8.991 -2.592 8.357 1.00 0.00 C ATOM 289 O LEU A 21 9.136 -1.786 7.440 1.00 0.00 O ATOM 290 CB LEU A 21 8.862 -4.741 6.902 1.00 0.00 C ATOM 291 CG LEU A 21 10.258 -5.370 7.068 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.597 -6.176 5.809 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.381 -4.364 7.330 1.00 0.00 C ATOM 0 H LEU A 21 6.690 -3.060 7.261 1.00 0.00 H new ATOM 0 HA LEU A 21 8.640 -4.581 8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.147 -5.531 6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.880 -4.070 6.043 1.00 0.00 H new ATOM 0 HG LEU A 21 10.201 -6.002 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.584 -6.625 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.855 -6.962 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.593 -5.515 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.328 -4.894 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.446 -3.666 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.170 -3.815 8.248 1.00 0.00 H new ATOM 305 N ALA A 22 9.264 -2.283 9.621 1.00 0.00 N ATOM 306 CA ALA A 22 9.846 -1.021 10.021 1.00 0.00 C ATOM 307 C ALA A 22 11.351 -1.056 9.785 1.00 0.00 C ATOM 308 O ALA A 22 11.983 -2.097 9.975 1.00 0.00 O ATOM 309 CB ALA A 22 9.555 -0.771 11.496 1.00 0.00 C ATOM 0 H ALA A 22 9.082 -2.915 10.401 1.00 0.00 H new ATOM 0 HA ALA A 22 9.411 -0.215 9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.994 0.180 11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.477 -0.740 11.654 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.986 -1.575 12.093 1.00 0.00 H new ATOM 315 N ASP A 23 11.921 0.097 9.451 1.00 0.00 N ATOM 316 CA ASP A 23 13.313 0.288 9.073 1.00 0.00 C ATOM 317 C ASP A 23 13.880 1.429 9.909 1.00 0.00 C ATOM 318 O ASP A 23 13.689 2.609 9.609 1.00 0.00 O ATOM 319 CB ASP A 23 13.431 0.554 7.566 1.00 0.00 C ATOM 320 CG ASP A 23 14.825 1.078 7.183 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.836 0.476 7.604 1.00 0.00 O ATOM 322 OD2 ASP A 23 14.892 2.073 6.424 1.00 0.00 O ATOM 0 H ASP A 23 11.393 0.970 9.437 1.00 0.00 H new ATOM 0 HA ASP A 23 13.892 -0.614 9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.226 -0.366 7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.675 1.280 7.265 1.00 0.00 H new ATOM 327 N PHE A 24 14.500 1.054 11.025 1.00 0.00 N ATOM 328 CA PHE A 24 15.206 1.946 11.921 1.00 0.00 C ATOM 329 C PHE A 24 16.519 2.291 11.234 1.00 0.00 C ATOM 330 O PHE A 24 17.372 1.416 11.030 1.00 0.00 O ATOM 331 CB PHE A 24 15.403 1.281 13.292 1.00 0.00 C ATOM 332 CG PHE A 24 14.104 1.160 14.071 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.138 0.203 13.700 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.819 2.068 15.109 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.878 0.196 14.321 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.558 2.058 15.729 1.00 0.00 C ATOM 337 CZ PHE A 24 11.579 1.141 15.315 1.00 0.00 C ATOM 0 H PHE A 24 14.521 0.083 11.336 1.00 0.00 H new ATOM 0 HA PHE A 24 14.646 2.860 12.119 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.833 0.289 13.153 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.119 1.861 13.874 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.367 -0.526 12.937 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.571 2.774 15.429 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.139 -0.537 14.033 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.342 2.756 16.524 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.596 1.163 15.761 1.00 0.00 H new ATOM 347 N TRP A 25 16.647 3.559 10.847 1.00 0.00 N ATOM 348 CA TRP A 25 17.756 4.079 10.065 1.00 0.00 C ATOM 349 C TRP A 25 17.972 5.547 10.456 1.00 0.00 C ATOM 350 O TRP A 25 17.310 6.039 11.366 1.00 0.00 O ATOM 351 CB TRP A 25 17.474 3.860 8.557 1.00 0.00 C ATOM 352 CG TRP A 25 17.251 5.071 7.700 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.142 5.596 6.827 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.133 6.009 7.728 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.607 6.732 6.253 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.407 7.077 6.826 1.00 0.00 C ATOM 357 CE3 TRP A 25 14.943 6.096 8.475 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.551 8.178 6.679 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.081 7.203 8.349 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.387 8.247 7.461 1.00 0.00 C ATOM 0 H TRP A 25 15.956 4.272 11.079 1.00 0.00 H new ATOM 0 HA TRP A 25 18.686 3.550 10.273 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.312 3.304 8.138 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.594 3.223 8.471 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.119 5.190 6.613 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.049 7.252 5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.686 5.299 9.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 15.784 8.962 5.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.178 7.249 8.940 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.729 9.100 7.380 1.00 0.00 H new ATOM 371 N ALA A 26 18.903 6.244 9.805 1.00 0.00 N ATOM 372 CA ALA A 26 19.053 7.690 9.876 1.00 0.00 C ATOM 373 C ALA A 26 19.785 8.118 8.601 1.00 0.00 C ATOM 374 O ALA A 26 20.608 7.340 8.113 1.00 0.00 O ATOM 375 CB ALA A 26 19.879 8.072 11.104 1.00 0.00 C ATOM 0 H ALA A 26 19.592 5.801 9.197 1.00 0.00 H new ATOM 0 HA ALA A 26 18.084 8.181 9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.986 9.156 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.376 7.720 12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.865 7.613 11.036 1.00 0.00 H new ATOM 381 N PRO A 27 19.565 9.319 8.043 1.00 0.00 N ATOM 382 CA PRO A 27 20.272 9.743 6.838 1.00 0.00 C ATOM 383 C PRO A 27 21.797 9.824 6.964 1.00 0.00 C ATOM 384 O PRO A 27 22.476 9.790 5.936 1.00 0.00 O ATOM 385 CB PRO A 27 19.677 11.091 6.436 1.00 0.00 C ATOM 386 CG PRO A 27 18.313 11.112 7.127 1.00 0.00 C ATOM 387 CD PRO A 27 18.527 10.276 8.390 1.00 0.00 C ATOM 0 HA PRO A 27 20.128 8.979 6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.305 11.919 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.578 11.177 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.003 12.129 7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.537 10.685 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.833 10.901 9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.609 9.770 8.688 1.00 0.00 H new ATOM 395 N TRP A 28 22.364 9.897 8.174 1.00 0.00 N ATOM 396 CA TRP A 28 23.818 9.840 8.341 1.00 0.00 C ATOM 397 C TRP A 28 24.377 8.444 8.028 1.00 0.00 C ATOM 398 O TRP A 28 25.579 8.307 7.789 1.00 0.00 O ATOM 399 CB TRP A 28 24.237 10.284 9.751 1.00 0.00 C ATOM 400 CG TRP A 28 23.871 9.378 10.894 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.800 9.536 11.700 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.559 8.186 11.395 1.00 0.00 C ATOM 403 NE1 TRP A 28 22.777 8.546 12.659 1.00 0.00 N ATOM 404 CE2 TRP A 28 23.821 7.663 12.500 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.732 7.486 11.031 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.205 6.499 13.184 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.125 6.314 11.705 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.363 5.816 12.777 1.00 0.00 C ATOM 0 H TRP A 28 21.842 9.995 9.045 1.00 0.00 H new ATOM 0 HA TRP A 28 24.246 10.538 7.621 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.319 10.414 9.756 1.00 0.00 H new ATOM 0 HB3 TRP A 28 23.797 11.263 9.942 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.067 10.324 11.607 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.074 8.476 13.395 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.339 7.858 10.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.617 6.133 14.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.019 5.793 11.396 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.667 4.913 13.285 1.00 0.00 H new ATOM 419 N CYS A 29 23.524 7.413 8.063 1.00 0.00 N ATOM 420 CA CYS A 29 23.903 6.018 7.954 1.00 0.00 C ATOM 421 C CYS A 29 24.616 5.743 6.626 1.00 0.00 C ATOM 422 O CYS A 29 24.266 6.326 5.595 1.00 0.00 O ATOM 423 CB CYS A 29 22.633 5.171 8.058 1.00 0.00 C ATOM 424 SG CYS A 29 22.900 3.395 8.243 1.00 0.00 S ATOM 0 H CYS A 29 22.518 7.542 8.172 1.00 0.00 H new ATOM 0 HA CYS A 29 24.597 5.764 8.756 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.050 5.524 8.908 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.030 5.340 7.166 1.00 0.00 H new ATOM 429 N GLY A 30 25.553 4.795 6.640 1.00 0.00 N ATOM 430 CA GLY A 30 26.206 4.272 5.446 1.00 0.00 C ATOM 431 C GLY A 30 25.539 2.976 4.984 1.00 0.00 C ATOM 432 O GLY A 30 24.921 2.981 3.919 1.00 0.00 O ATOM 0 H GLY A 30 25.884 4.362 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.162 5.013 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.260 4.089 5.653 1.00 0.00 H new ATOM 436 N PRO A 31 25.562 1.880 5.771 1.00 0.00 N ATOM 437 CA PRO A 31 25.036 0.590 5.320 1.00 0.00 C ATOM 438 C PRO A 31 23.532 0.614 5.015 1.00 0.00 C ATOM 439 O PRO A 31 23.075 -0.138 4.154 1.00 0.00 O ATOM 440 CB PRO A 31 25.407 -0.431 6.403 1.00 0.00 C ATOM 441 CG PRO A 31 25.739 0.413 7.633 1.00 0.00 C ATOM 442 CD PRO A 31 26.258 1.719 7.042 1.00 0.00 C ATOM 0 HA PRO A 31 25.481 0.319 4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.582 -1.114 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.258 -1.040 6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.860 0.576 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.489 -0.069 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 26.056 2.558 7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.337 1.681 6.895 1.00 0.00 H new ATOM 450 N CYS A 32 22.764 1.514 5.642 1.00 0.00 N ATOM 451 CA CYS A 32 21.345 1.696 5.341 1.00 0.00 C ATOM 452 C CYS A 32 21.124 2.039 3.861 1.00 0.00 C ATOM 453 O CYS A 32 20.139 1.610 3.263 1.00 0.00 O ATOM 454 CB CYS A 32 20.738 2.803 6.211 1.00 0.00 C ATOM 455 SG CYS A 32 21.019 2.678 8.002 1.00 0.00 S ATOM 0 H CYS A 32 23.113 2.135 6.372 1.00 0.00 H new ATOM 0 HA CYS A 32 20.849 0.751 5.561 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.134 3.760 5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.662 2.823 6.036 1.00 0.00 H new ATOM 460 N LYS A 33 22.048 2.783 3.244 1.00 0.00 N ATOM 461 CA LYS A 33 21.941 3.182 1.845 1.00 0.00 C ATOM 462 C LYS A 33 22.075 1.970 0.919 1.00 0.00 C ATOM 463 O LYS A 33 21.547 2.007 -0.190 1.00 0.00 O ATOM 464 CB LYS A 33 22.999 4.252 1.508 1.00 0.00 C ATOM 465 CG LYS A 33 23.066 5.442 2.488 1.00 0.00 C ATOM 466 CD LYS A 33 21.817 6.344 2.497 1.00 0.00 C ATOM 467 CE LYS A 33 21.810 7.349 3.667 1.00 0.00 C ATOM 468 NZ LYS A 33 23.066 8.126 3.781 1.00 0.00 N ATOM 0 H LYS A 33 22.891 3.124 3.706 1.00 0.00 H new ATOM 0 HA LYS A 33 20.953 3.615 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.978 3.774 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.798 4.636 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.225 5.056 3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.935 6.051 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.763 6.890 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.925 5.720 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.975 8.038 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.639 6.810 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.908 8.953 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.809 7.527 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.364 8.445 2.837 1.00 0.00 H new ATOM 482 N MET A 34 22.747 0.897 1.357 1.00 0.00 N ATOM 483 CA MET A 34 22.875 -0.330 0.581 1.00 0.00 C ATOM 484 C MET A 34 21.544 -1.077 0.541 1.00 0.00 C ATOM 485 O MET A 34 21.159 -1.584 -0.510 1.00 0.00 O ATOM 486 CB MET A 34 23.951 -1.263 1.164 1.00 0.00 C ATOM 487 CG MET A 34 25.313 -0.591 1.380 1.00 0.00 C ATOM 488 SD MET A 34 26.658 -1.712 1.876 1.00 0.00 S ATOM 489 CE MET A 34 25.889 -2.636 3.240 1.00 0.00 C ATOM 0 H MET A 34 23.216 0.862 2.262 1.00 0.00 H new ATOM 0 HA MET A 34 23.172 -0.041 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.597 -1.657 2.117 1.00 0.00 H new ATOM 0 HB3 MET A 34 24.080 -2.114 0.495 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.602 -0.087 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.203 0.180 2.143 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.660 -2.965 3.937 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.180 -1.993 3.761 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.365 -3.505 2.841 1.00 0.00 H new ATOM 499 N ILE A 35 20.844 -1.159 1.678 1.00 0.00 N ATOM 500 CA ILE A 35 19.604 -1.922 1.788 1.00 0.00 C ATOM 501 C ILE A 35 18.393 -1.103 1.314 1.00 0.00 C ATOM 502 O ILE A 35 17.399 -1.696 0.915 1.00 0.00 O ATOM 503 CB ILE A 35 19.456 -2.533 3.204 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.375 -3.637 3.219 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.233 -1.462 4.281 1.00 0.00 C ATOM 506 CD1 ILE A 35 18.228 -4.355 4.563 1.00 0.00 C ATOM 0 H ILE A 35 21.124 -0.698 2.544 1.00 0.00 H new ATOM 0 HA ILE A 35 19.648 -2.772 1.107 1.00 0.00 H new ATOM 0 HB ILE A 35 20.402 -3.010 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.416 -3.194 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.613 -4.373 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.135 -1.941 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.082 -0.779 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.323 -0.905 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.449 -5.114 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.173 -4.830 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.957 -3.633 5.333 1.00 0.00 H new ATOM 518 N ALA A 36 18.458 0.234 1.288 1.00 0.00 N ATOM 519 CA ALA A 36 17.364 1.079 0.805 1.00 0.00 C ATOM 520 C ALA A 36 16.797 0.637 -0.564 1.00 0.00 C ATOM 521 O ALA A 36 15.586 0.407 -0.639 1.00 0.00 O ATOM 522 CB ALA A 36 17.790 2.553 0.819 1.00 0.00 C ATOM 0 H ALA A 36 19.274 0.759 1.603 1.00 0.00 H new ATOM 0 HA ALA A 36 16.531 0.955 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.969 3.172 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.047 2.848 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.657 2.687 0.173 1.00 0.00 H new ATOM 528 N PRO A 37 17.598 0.430 -1.632 1.00 0.00 N ATOM 529 CA PRO A 37 17.062 -0.058 -2.901 1.00 0.00 C ATOM 530 C PRO A 37 16.545 -1.497 -2.806 1.00 0.00 C ATOM 531 O PRO A 37 15.608 -1.855 -3.517 1.00 0.00 O ATOM 532 CB PRO A 37 18.196 0.082 -3.922 1.00 0.00 C ATOM 533 CG PRO A 37 19.459 0.049 -3.065 1.00 0.00 C ATOM 534 CD PRO A 37 19.013 0.739 -1.778 1.00 0.00 C ATOM 0 HA PRO A 37 16.190 0.524 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.184 -0.730 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.117 1.013 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.796 -0.971 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.285 0.577 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.583 0.376 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.174 1.815 -1.835 1.00 0.00 H new ATOM 542 N VAL A 38 17.107 -2.321 -1.919 1.00 0.00 N ATOM 543 CA VAL A 38 16.619 -3.671 -1.672 1.00 0.00 C ATOM 544 C VAL A 38 15.213 -3.595 -1.058 1.00 0.00 C ATOM 545 O VAL A 38 14.343 -4.361 -1.466 1.00 0.00 O ATOM 546 CB VAL A 38 17.626 -4.471 -0.812 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.210 -5.937 -0.662 1.00 0.00 C ATOM 548 CG2 VAL A 38 19.038 -4.444 -1.424 1.00 0.00 C ATOM 0 H VAL A 38 17.916 -2.066 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 38 16.535 -4.219 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 38 17.632 -3.988 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.944 -6.463 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.233 -5.991 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.157 -6.403 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.719 -5.016 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.011 -4.884 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.386 -3.413 -1.492 1.00 0.00 H new ATOM 558 N LEU A 39 14.948 -2.655 -0.141 1.00 0.00 N ATOM 559 CA LEU A 39 13.614 -2.426 0.401 1.00 0.00 C ATOM 560 C LEU A 39 12.671 -1.867 -0.656 1.00 0.00 C ATOM 561 O LEU A 39 11.501 -2.228 -0.645 1.00 0.00 O ATOM 562 CB LEU A 39 13.633 -1.489 1.620 1.00 0.00 C ATOM 563 CG LEU A 39 14.342 -2.064 2.858 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.272 -1.049 4.005 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.745 -3.403 3.316 1.00 0.00 C ATOM 0 H LEU A 39 15.659 -2.033 0.243 1.00 0.00 H new ATOM 0 HA LEU A 39 13.248 -3.400 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.122 -0.557 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.606 -1.242 1.888 1.00 0.00 H new ATOM 0 HG LEU A 39 15.378 -2.254 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.774 -1.456 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.763 -0.124 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.229 -0.844 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.285 -3.761 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.694 -3.265 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.833 -4.134 2.512 1.00 0.00 H new ATOM 577 N GLU A 40 13.140 -1.021 -1.575 1.00 0.00 N ATOM 578 CA GLU A 40 12.314 -0.581 -2.698 1.00 0.00 C ATOM 579 C GLU A 40 11.921 -1.769 -3.580 1.00 0.00 C ATOM 580 O GLU A 40 10.770 -1.877 -4.007 1.00 0.00 O ATOM 581 CB GLU A 40 13.005 0.519 -3.518 1.00 0.00 C ATOM 582 CG GLU A 40 13.054 1.858 -2.769 1.00 0.00 C ATOM 583 CD GLU A 40 13.709 2.959 -3.621 1.00 0.00 C ATOM 584 OE1 GLU A 40 13.007 3.598 -4.439 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.924 3.217 -3.469 1.00 0.00 O ATOM 0 H GLU A 40 14.082 -0.629 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 40 11.402 -0.147 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.020 0.204 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.476 0.652 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.043 2.161 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.611 1.736 -1.840 1.00 0.00 H new ATOM 592 N GLU A 41 12.848 -2.683 -3.854 1.00 0.00 N ATOM 593 CA GLU A 41 12.549 -3.893 -4.606 1.00 0.00 C ATOM 594 C GLU A 41 11.578 -4.784 -3.825 1.00 0.00 C ATOM 595 O GLU A 41 10.647 -5.331 -4.411 1.00 0.00 O ATOM 596 CB GLU A 41 13.841 -4.636 -4.974 1.00 0.00 C ATOM 597 CG GLU A 41 14.585 -3.936 -6.122 1.00 0.00 C ATOM 598 CD GLU A 41 15.892 -4.659 -6.485 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.840 -5.863 -6.826 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.973 -4.028 -6.471 1.00 0.00 O ATOM 0 H GLU A 41 13.822 -2.604 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 41 12.059 -3.615 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.490 -4.694 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.604 -5.660 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.939 -3.892 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.806 -2.908 -5.837 1.00 0.00 H new ATOM 607 N LEU A 42 11.746 -4.881 -2.503 1.00 0.00 N ATOM 608 CA LEU A 42 10.841 -5.615 -1.625 1.00 0.00 C ATOM 609 C LEU A 42 9.433 -5.007 -1.722 1.00 0.00 C ATOM 610 O LEU A 42 8.451 -5.727 -1.902 1.00 0.00 O ATOM 611 CB LEU A 42 11.370 -5.587 -0.172 1.00 0.00 C ATOM 612 CG LEU A 42 10.991 -6.808 0.690 1.00 0.00 C ATOM 613 CD1 LEU A 42 11.246 -6.482 2.164 1.00 0.00 C ATOM 614 CD2 LEU A 42 9.544 -7.273 0.533 1.00 0.00 C ATOM 0 H LEU A 42 12.525 -4.445 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 42 10.789 -6.658 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.457 -5.506 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.995 -4.688 0.317 1.00 0.00 H new ATOM 0 HG LEU A 42 11.617 -7.628 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.980 -7.342 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.301 -6.246 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.640 -5.625 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.367 -8.135 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.869 -6.465 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.362 -7.551 -0.505 1.00 0.00 H new ATOM 626 N ASP A 43 9.325 -3.679 -1.659 1.00 0.00 N ATOM 627 CA ASP A 43 8.058 -2.962 -1.750 1.00 0.00 C ATOM 628 C ASP A 43 7.348 -3.260 -3.062 1.00 0.00 C ATOM 629 O ASP A 43 6.148 -3.519 -3.086 1.00 0.00 O ATOM 630 CB ASP A 43 8.275 -1.449 -1.655 1.00 0.00 C ATOM 631 CG ASP A 43 6.921 -0.744 -1.516 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.236 -0.978 -0.497 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.559 0.053 -2.410 1.00 0.00 O ATOM 0 H ASP A 43 10.130 -3.064 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 43 7.444 -3.302 -0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.908 -1.215 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.794 -1.089 -2.543 1.00 0.00 H new ATOM 638 N GLN A 44 8.104 -3.276 -4.156 1.00 0.00 N ATOM 639 CA GLN A 44 7.584 -3.558 -5.486 1.00 0.00 C ATOM 640 C GLN A 44 7.182 -5.035 -5.664 1.00 0.00 C ATOM 641 O GLN A 44 6.534 -5.374 -6.655 1.00 0.00 O ATOM 642 CB GLN A 44 8.608 -3.087 -6.527 1.00 0.00 C ATOM 643 CG GLN A 44 8.714 -1.551 -6.530 1.00 0.00 C ATOM 644 CD GLN A 44 9.909 -1.083 -7.356 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.798 -0.771 -8.540 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.082 -1.037 -6.748 1.00 0.00 N ATOM 0 H GLN A 44 9.107 -3.091 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 44 6.657 -3.003 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.583 -3.523 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.316 -3.438 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.798 -1.121 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.811 -1.188 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.158 -1.299 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.911 -0.739 -7.262 1.00 0.00 H new ATOM 655 N GLU A 45 7.533 -5.913 -4.719 1.00 0.00 N ATOM 656 CA GLU A 45 7.278 -7.349 -4.757 1.00 0.00 C ATOM 657 C GLU A 45 6.160 -7.744 -3.793 1.00 0.00 C ATOM 658 O GLU A 45 5.401 -8.663 -4.104 1.00 0.00 O ATOM 659 CB GLU A 45 8.596 -8.093 -4.476 1.00 0.00 C ATOM 660 CG GLU A 45 9.490 -8.011 -5.732 1.00 0.00 C ATOM 661 CD GLU A 45 10.950 -8.460 -5.542 1.00 0.00 C ATOM 662 OE1 GLU A 45 11.246 -9.320 -4.684 1.00 0.00 O ATOM 663 OE2 GLU A 45 11.816 -7.999 -6.324 1.00 0.00 O ATOM 0 H GLU A 45 8.023 -5.626 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 45 6.925 -7.635 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.105 -7.649 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.395 -9.134 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.041 -8.621 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.489 -6.981 -6.089 1.00 0.00 H new ATOM 670 N MET A 46 6.002 -7.021 -2.680 1.00 0.00 N ATOM 671 CA MET A 46 5.091 -7.407 -1.600 1.00 0.00 C ATOM 672 C MET A 46 4.121 -6.303 -1.198 1.00 0.00 C ATOM 673 O MET A 46 3.238 -6.564 -0.384 1.00 0.00 O ATOM 674 CB MET A 46 5.895 -7.847 -0.370 1.00 0.00 C ATOM 675 CG MET A 46 6.882 -8.979 -0.665 1.00 0.00 C ATOM 676 SD MET A 46 6.203 -10.508 -1.368 1.00 0.00 S ATOM 677 CE MET A 46 5.333 -11.145 0.077 1.00 0.00 C ATOM 0 H MET A 46 6.503 -6.150 -2.503 1.00 0.00 H new ATOM 0 HA MET A 46 4.492 -8.232 -1.986 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.442 -6.990 0.023 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.205 -8.170 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.638 -8.598 -1.352 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.393 -9.232 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.852 -12.090 -0.175 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.043 -11.305 0.888 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.577 -10.426 0.393 1.00 0.00 H new ATOM 687 N GLY A 47 4.232 -5.091 -1.744 1.00 0.00 N ATOM 688 CA GLY A 47 3.438 -3.926 -1.344 1.00 0.00 C ATOM 689 C GLY A 47 1.925 -4.093 -1.504 1.00 0.00 C ATOM 690 O GLY A 47 1.163 -3.277 -0.989 1.00 0.00 O ATOM 0 H GLY A 47 4.892 -4.886 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.655 -3.697 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.758 -3.066 -1.933 1.00 0.00 H new ATOM 694 N ASP A 48 1.469 -5.151 -2.175 1.00 0.00 N ATOM 695 CA ASP A 48 0.058 -5.523 -2.247 1.00 0.00 C ATOM 696 C ASP A 48 -0.487 -5.934 -0.871 1.00 0.00 C ATOM 697 O ASP A 48 -1.668 -5.733 -0.586 1.00 0.00 O ATOM 698 CB ASP A 48 -0.130 -6.667 -3.247 1.00 0.00 C ATOM 699 CG ASP A 48 -1.612 -7.060 -3.377 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.410 -6.256 -3.910 1.00 0.00 O ATOM 701 OD2 ASP A 48 -1.978 -8.192 -2.991 1.00 0.00 O ATOM 0 H ASP A 48 2.081 -5.783 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.502 -4.650 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.256 -6.368 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.451 -7.532 -2.926 1.00 0.00 H new ATOM 706 N LYS A 49 0.385 -6.461 0.000 1.00 0.00 N ATOM 707 CA LYS A 49 0.059 -6.932 1.348 1.00 0.00 C ATOM 708 C LYS A 49 0.904 -6.227 2.412 1.00 0.00 C ATOM 709 O LYS A 49 0.475 -6.142 3.562 1.00 0.00 O ATOM 710 CB LYS A 49 0.312 -8.450 1.435 1.00 0.00 C ATOM 711 CG LYS A 49 -0.479 -9.313 0.435 1.00 0.00 C ATOM 712 CD LYS A 49 -2.010 -9.232 0.569 1.00 0.00 C ATOM 713 CE LYS A 49 -2.501 -9.703 1.947 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.983 -9.692 2.046 1.00 0.00 N ATOM 0 H LYS A 49 1.373 -6.574 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.990 -6.705 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.376 -8.632 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.072 -8.783 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.202 -9.015 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.174 -10.352 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.333 -8.204 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.473 -9.841 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.133 -10.711 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.082 -9.059 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.270 -10.017 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.334 -8.726 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.384 -10.326 1.326 1.00 0.00 H new ATOM 728 N LEU A 50 2.095 -5.743 2.050 1.00 0.00 N ATOM 729 CA LEU A 50 3.093 -5.233 2.983 1.00 0.00 C ATOM 730 C LEU A 50 3.053 -3.704 3.023 1.00 0.00 C ATOM 731 O LEU A 50 2.562 -3.052 2.100 1.00 0.00 O ATOM 732 CB LEU A 50 4.479 -5.750 2.533 1.00 0.00 C ATOM 733 CG LEU A 50 5.657 -5.500 3.500 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.425 -6.157 4.864 1.00 0.00 C ATOM 735 CD2 LEU A 50 6.950 -6.037 2.883 1.00 0.00 C ATOM 0 H LEU A 50 2.395 -5.695 1.076 1.00 0.00 H new ATOM 0 HA LEU A 50 2.885 -5.585 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.402 -6.823 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.720 -5.289 1.575 1.00 0.00 H new ATOM 0 HG LEU A 50 5.736 -4.424 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.277 -5.957 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.521 -5.749 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.312 -7.233 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.780 -5.860 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.850 -7.107 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.142 -5.527 1.939 1.00 0.00 H new ATOM 747 N LYS A 51 3.622 -3.128 4.078 1.00 0.00 N ATOM 748 CA LYS A 51 3.924 -1.710 4.221 1.00 0.00 C ATOM 749 C LYS A 51 5.331 -1.678 4.809 1.00 0.00 C ATOM 750 O LYS A 51 5.655 -2.539 5.632 1.00 0.00 O ATOM 751 CB LYS A 51 2.891 -1.056 5.157 1.00 0.00 C ATOM 752 CG LYS A 51 3.133 0.450 5.370 1.00 0.00 C ATOM 753 CD LYS A 51 2.370 1.012 6.575 1.00 0.00 C ATOM 754 CE LYS A 51 0.848 0.967 6.396 1.00 0.00 C ATOM 755 NZ LYS A 51 0.179 1.627 7.532 1.00 0.00 N ATOM 0 H LYS A 51 3.899 -3.667 4.898 1.00 0.00 H new ATOM 0 HA LYS A 51 3.878 -1.157 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.893 -1.202 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.914 -1.561 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.200 0.626 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.834 0.991 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.642 0.446 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.680 2.043 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.570 1.461 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.514 -0.068 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.852 1.574 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.445 1.149 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.472 2.624 7.576 1.00 0.00 H new ATOM 769 N ILE A 52 6.152 -0.704 4.429 1.00 0.00 N ATOM 770 CA ILE A 52 7.493 -0.532 4.981 1.00 0.00 C ATOM 771 C ILE A 52 7.472 0.822 5.690 1.00 0.00 C ATOM 772 O ILE A 52 6.860 1.759 5.181 1.00 0.00 O ATOM 773 CB ILE A 52 8.560 -0.683 3.866 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.484 -2.099 3.236 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.980 -0.386 4.388 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.511 -2.376 2.131 1.00 0.00 C ATOM 0 H ILE A 52 5.905 -0.008 3.726 1.00 0.00 H new ATOM 0 HA ILE A 52 7.772 -1.298 5.704 1.00 0.00 H new ATOM 0 HB ILE A 52 8.342 0.055 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.615 -2.839 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.484 -2.244 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.698 -0.503 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.023 0.636 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.225 -1.080 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.376 -3.390 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.370 -1.666 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.518 -2.269 2.535 1.00 0.00 H new ATOM 788 N VAL A 53 8.089 0.945 6.867 1.00 0.00 N ATOM 789 CA VAL A 53 7.938 2.130 7.719 1.00 0.00 C ATOM 790 C VAL A 53 9.324 2.574 8.188 1.00 0.00 C ATOM 791 O VAL A 53 9.877 2.038 9.147 1.00 0.00 O ATOM 792 CB VAL A 53 6.943 1.828 8.866 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.818 2.990 9.859 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.533 1.561 8.316 1.00 0.00 C ATOM 0 H VAL A 53 8.705 0.231 7.256 1.00 0.00 H new ATOM 0 HA VAL A 53 7.507 2.967 7.170 1.00 0.00 H new ATOM 0 HB VAL A 53 7.344 0.951 9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.108 2.725 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.791 3.193 10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.466 3.879 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.854 1.352 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.183 2.438 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.561 0.704 7.643 1.00 0.00 H new ATOM 804 N LYS A 54 9.915 3.542 7.491 1.00 0.00 N ATOM 805 CA LYS A 54 11.219 4.084 7.855 1.00 0.00 C ATOM 806 C LYS A 54 11.041 4.975 9.080 1.00 0.00 C ATOM 807 O LYS A 54 10.094 5.765 9.116 1.00 0.00 O ATOM 808 CB LYS A 54 11.803 4.884 6.682 1.00 0.00 C ATOM 809 CG LYS A 54 11.947 4.002 5.425 1.00 0.00 C ATOM 810 CD LYS A 54 12.594 4.708 4.227 1.00 0.00 C ATOM 811 CE LYS A 54 14.017 5.228 4.479 1.00 0.00 C ATOM 812 NZ LYS A 54 15.024 4.150 4.653 1.00 0.00 N ATOM 0 H LYS A 54 9.504 3.970 6.661 1.00 0.00 H new ATOM 0 HA LYS A 54 11.913 3.276 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.158 5.735 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.777 5.286 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.541 3.124 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.960 3.645 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.619 4.016 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.963 5.546 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.316 5.861 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.012 5.856 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.920 4.562 4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.679 3.462 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.180 3.670 3.744 1.00 0.00 H new ATOM 826 N ILE A 55 11.950 4.896 10.049 1.00 0.00 N ATOM 827 CA ILE A 55 11.921 5.721 11.250 1.00 0.00 C ATOM 828 C ILE A 55 13.358 6.122 11.610 1.00 0.00 C ATOM 829 O ILE A 55 14.276 5.293 11.638 1.00 0.00 O ATOM 830 CB ILE A 55 11.116 5.019 12.370 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.102 5.889 13.644 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.592 3.585 12.669 1.00 0.00 C ATOM 833 CD1 ILE A 55 9.996 5.503 14.632 1.00 0.00 C ATOM 0 H ILE A 55 12.737 4.248 10.020 1.00 0.00 H new ATOM 0 HA ILE A 55 11.384 6.655 11.085 1.00 0.00 H new ATOM 0 HB ILE A 55 10.096 4.911 12.002 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.068 5.807 14.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.977 6.934 13.360 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.981 3.157 13.464 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.497 2.975 11.771 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.635 3.606 12.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.044 6.155 15.505 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.024 5.612 14.151 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.132 4.468 14.944 1.00 0.00 H new ATOM 845 N ASP A 56 13.539 7.433 11.806 1.00 0.00 N ATOM 846 CA ASP A 56 14.841 8.079 11.941 1.00 0.00 C ATOM 847 C ASP A 56 15.280 8.056 13.401 1.00 0.00 C ATOM 848 O ASP A 56 14.722 8.785 14.226 1.00 0.00 O ATOM 849 CB ASP A 56 14.770 9.520 11.416 1.00 0.00 C ATOM 850 CG ASP A 56 16.117 10.267 11.509 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.123 9.690 11.978 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.157 11.441 11.078 1.00 0.00 O ATOM 0 H ASP A 56 12.760 8.088 11.876 1.00 0.00 H new ATOM 0 HA ASP A 56 15.577 7.535 11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.441 9.506 10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.017 10.069 11.981 1.00 0.00 H new ATOM 857 N VAL A 57 16.254 7.217 13.750 1.00 0.00 N ATOM 858 CA VAL A 57 16.710 7.059 15.126 1.00 0.00 C ATOM 859 C VAL A 57 17.295 8.356 15.703 1.00 0.00 C ATOM 860 O VAL A 57 17.328 8.497 16.926 1.00 0.00 O ATOM 861 CB VAL A 57 17.679 5.863 15.270 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.999 4.558 14.833 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.998 6.027 14.502 1.00 0.00 C ATOM 0 H VAL A 57 16.750 6.626 13.082 1.00 0.00 H new ATOM 0 HA VAL A 57 15.830 6.832 15.727 1.00 0.00 H new ATOM 0 HB VAL A 57 17.933 5.826 16.329 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.698 3.729 14.942 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.123 4.378 15.456 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.692 4.639 13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.620 5.145 14.655 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.788 6.142 13.439 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.523 6.910 14.866 1.00 0.00 H new ATOM 873 N ASP A 58 17.693 9.331 14.874 1.00 0.00 N ATOM 874 CA ASP A 58 18.201 10.623 15.349 1.00 0.00 C ATOM 875 C ASP A 58 17.112 11.452 16.042 1.00 0.00 C ATOM 876 O ASP A 58 17.424 12.362 16.810 1.00 0.00 O ATOM 877 CB ASP A 58 18.819 11.423 14.197 1.00 0.00 C ATOM 878 CG ASP A 58 19.505 12.705 14.701 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.511 12.605 15.439 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.083 13.819 14.316 1.00 0.00 O ATOM 0 H ASP A 58 17.672 9.245 13.858 1.00 0.00 H new ATOM 0 HA ASP A 58 18.974 10.408 16.087 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.546 10.803 13.672 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.043 11.684 13.477 1.00 0.00 H new ATOM 885 N GLU A 59 15.834 11.097 15.859 1.00 0.00 N ATOM 886 CA GLU A 59 14.692 11.781 16.469 1.00 0.00 C ATOM 887 C GLU A 59 13.771 10.802 17.218 1.00 0.00 C ATOM 888 O GLU A 59 12.748 11.222 17.761 1.00 0.00 O ATOM 889 CB GLU A 59 13.916 12.552 15.384 1.00 0.00 C ATOM 890 CG GLU A 59 14.740 13.678 14.743 1.00 0.00 C ATOM 891 CD GLU A 59 13.863 14.583 13.857 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.611 14.243 12.678 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.427 15.660 14.325 1.00 0.00 O ATOM 0 H GLU A 59 15.562 10.310 15.270 1.00 0.00 H new ATOM 0 HA GLU A 59 15.069 12.486 17.210 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.598 11.855 14.608 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.012 12.975 15.823 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.210 14.276 15.523 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.543 13.248 14.144 1.00 0.00 H new ATOM 900 N ASN A 60 14.112 9.505 17.265 1.00 0.00 N ATOM 901 CA ASN A 60 13.217 8.443 17.744 1.00 0.00 C ATOM 902 C ASN A 60 13.960 7.444 18.633 1.00 0.00 C ATOM 903 O ASN A 60 13.739 6.232 18.543 1.00 0.00 O ATOM 904 CB ASN A 60 12.506 7.760 16.561 1.00 0.00 C ATOM 905 CG ASN A 60 11.582 8.722 15.828 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.457 8.967 16.246 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.031 9.296 14.725 1.00 0.00 N ATOM 0 H ASN A 60 15.026 9.162 16.969 1.00 0.00 H new ATOM 0 HA ASN A 60 12.447 8.897 18.368 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.249 7.369 15.866 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.931 6.909 16.925 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.439 9.950 14.213 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.969 9.085 14.386 1.00 0.00 H new ATOM 914 N GLN A 61 14.849 7.945 19.499 1.00 0.00 N ATOM 915 CA GLN A 61 15.552 7.125 20.484 1.00 0.00 C ATOM 916 C GLN A 61 14.580 6.323 21.353 1.00 0.00 C ATOM 917 O GLN A 61 14.913 5.213 21.760 1.00 0.00 O ATOM 918 CB GLN A 61 16.442 7.987 21.395 1.00 0.00 C ATOM 919 CG GLN A 61 17.558 8.731 20.647 1.00 0.00 C ATOM 920 CD GLN A 61 17.181 10.157 20.251 1.00 0.00 C ATOM 921 OE1 GLN A 61 16.990 11.036 21.089 1.00 0.00 O ATOM 922 NE2 GLN A 61 17.069 10.416 18.963 1.00 0.00 N ATOM 0 H GLN A 61 15.099 8.933 19.534 1.00 0.00 H new ATOM 0 HA GLN A 61 16.175 6.432 19.920 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.818 8.714 21.914 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.890 7.350 22.157 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.448 8.760 21.275 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.819 8.170 19.750 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.230 9.677 18.278 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.821 11.355 18.651 1.00 0.00 H new ATOM 931 N GLU A 62 13.387 6.857 21.636 1.00 0.00 N ATOM 932 CA GLU A 62 12.404 6.178 22.471 1.00 0.00 C ATOM 933 C GLU A 62 11.911 4.905 21.776 1.00 0.00 C ATOM 934 O GLU A 62 11.927 3.832 22.377 1.00 0.00 O ATOM 935 CB GLU A 62 11.228 7.117 22.791 1.00 0.00 C ATOM 936 CG GLU A 62 11.620 8.334 23.644 1.00 0.00 C ATOM 937 CD GLU A 62 12.136 7.941 25.041 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.317 7.602 25.926 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.364 7.989 25.279 1.00 0.00 O ATOM 0 H GLU A 62 13.082 7.767 21.292 1.00 0.00 H new ATOM 0 HA GLU A 62 12.877 5.896 23.412 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.789 7.466 21.856 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.456 6.552 23.314 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.390 8.904 23.124 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.756 8.990 23.752 1.00 0.00 H new ATOM 946 N THR A 63 11.523 4.995 20.503 1.00 0.00 N ATOM 947 CA THR A 63 11.015 3.860 19.746 1.00 0.00 C ATOM 948 C THR A 63 12.142 2.850 19.499 1.00 0.00 C ATOM 949 O THR A 63 11.923 1.650 19.589 1.00 0.00 O ATOM 950 CB THR A 63 10.415 4.345 18.417 1.00 0.00 C ATOM 951 OG1 THR A 63 9.932 5.677 18.520 1.00 0.00 O ATOM 952 CG2 THR A 63 9.284 3.441 17.921 1.00 0.00 C ATOM 0 H THR A 63 11.554 5.864 19.969 1.00 0.00 H new ATOM 0 HA THR A 63 10.230 3.366 20.319 1.00 0.00 H new ATOM 0 HB THR A 63 11.228 4.308 17.692 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.558 5.957 17.658 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.895 3.828 16.979 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.666 2.431 17.768 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.485 3.419 18.662 1.00 0.00 H new ATOM 960 N ALA A 64 13.369 3.309 19.240 1.00 0.00 N ATOM 961 CA ALA A 64 14.535 2.439 19.153 1.00 0.00 C ATOM 962 C ALA A 64 14.740 1.687 20.475 1.00 0.00 C ATOM 963 O ALA A 64 14.855 0.459 20.483 1.00 0.00 O ATOM 964 CB ALA A 64 15.759 3.287 18.777 1.00 0.00 C ATOM 0 H ALA A 64 13.578 4.295 19.085 1.00 0.00 H new ATOM 0 HA ALA A 64 14.386 1.685 18.380 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.638 2.647 18.709 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.586 3.769 17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.923 4.048 19.540 1.00 0.00 H new ATOM 970 N GLY A 65 14.707 2.404 21.600 1.00 0.00 N ATOM 971 CA GLY A 65 14.832 1.838 22.936 1.00 0.00 C ATOM 972 C GLY A 65 13.720 0.836 23.249 1.00 0.00 C ATOM 973 O GLY A 65 13.954 -0.112 23.999 1.00 0.00 O ATOM 0 H GLY A 65 14.590 3.417 21.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.799 1.345 23.030 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.811 2.642 23.672 1.00 0.00 H new ATOM 977 N LYS A 66 12.542 0.987 22.629 1.00 0.00 N ATOM 978 CA LYS A 66 11.394 0.100 22.792 1.00 0.00 C ATOM 979 C LYS A 66 11.754 -1.356 22.482 1.00 0.00 C ATOM 980 O LYS A 66 11.176 -2.256 23.091 1.00 0.00 O ATOM 981 CB LYS A 66 10.237 0.598 21.911 1.00 0.00 C ATOM 982 CG LYS A 66 8.883 0.031 22.362 1.00 0.00 C ATOM 983 CD LYS A 66 7.740 0.779 21.667 1.00 0.00 C ATOM 984 CE LYS A 66 6.368 0.127 21.904 1.00 0.00 C ATOM 985 NZ LYS A 66 5.918 0.206 23.318 1.00 0.00 N ATOM 0 H LYS A 66 12.361 1.754 21.982 1.00 0.00 H new ATOM 0 HA LYS A 66 11.078 0.122 23.835 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.202 1.687 21.941 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.422 0.313 20.875 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.829 -1.032 22.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.784 0.123 23.444 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.715 1.808 22.026 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.937 0.820 20.596 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.628 0.611 21.267 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.413 -0.919 21.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.988 -0.250 23.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.606 -0.280 23.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.845 1.203 23.604 1.00 0.00 H new ATOM 999 N TYR A 67 12.732 -1.587 21.595 1.00 0.00 N ATOM 1000 CA TYR A 67 13.186 -2.931 21.220 1.00 0.00 C ATOM 1001 C TYR A 67 14.693 -3.110 21.460 1.00 0.00 C ATOM 1002 O TYR A 67 15.277 -4.095 21.003 1.00 0.00 O ATOM 1003 CB TYR A 67 12.809 -3.230 19.759 1.00 0.00 C ATOM 1004 CG TYR A 67 11.537 -2.564 19.282 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.277 -3.068 19.651 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.628 -1.366 18.552 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.108 -2.379 19.284 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.469 -0.663 18.201 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.199 -1.168 18.561 1.00 0.00 C ATOM 1010 OH TYR A 67 8.061 -0.487 18.252 1.00 0.00 O ATOM 0 H TYR A 67 13.233 -0.840 21.115 1.00 0.00 H new ATOM 0 HA TYR A 67 12.678 -3.652 21.861 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.630 -2.916 19.115 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.705 -4.308 19.639 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.207 -3.985 20.217 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.596 -0.986 18.261 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.140 -2.775 19.555 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.546 0.266 17.655 1.00 0.00 H new ATOM 0 HH TYR A 67 8.115 -0.161 17.329 1.00 0.00 H new ATOM 1020 N GLY A 68 15.339 -2.166 22.155 1.00 0.00 N ATOM 1021 CA GLY A 68 16.778 -2.177 22.388 1.00 0.00 C ATOM 1022 C GLY A 68 17.586 -2.042 21.093 1.00 0.00 C ATOM 1023 O GLY A 68 18.684 -2.593 21.003 1.00 0.00 O ATOM 0 H GLY A 68 14.866 -1.365 22.574 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.039 -1.361 23.062 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.054 -3.105 22.889 1.00 0.00 H new ATOM 1027 N VAL A 69 17.055 -1.347 20.080 1.00 0.00 N ATOM 1028 CA VAL A 69 17.804 -0.993 18.878 1.00 0.00 C ATOM 1029 C VAL A 69 18.915 -0.027 19.312 1.00 0.00 C ATOM 1030 O VAL A 69 18.637 0.993 19.948 1.00 0.00 O ATOM 1031 CB VAL A 69 16.862 -0.379 17.815 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.616 -0.032 16.525 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.684 -1.306 17.474 1.00 0.00 C ATOM 0 H VAL A 69 16.090 -1.015 20.075 1.00 0.00 H new ATOM 0 HA VAL A 69 18.250 -1.870 18.409 1.00 0.00 H new ATOM 0 HB VAL A 69 16.467 0.535 18.259 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.922 0.397 15.802 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.402 0.690 16.746 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.061 -0.936 16.109 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.052 -0.830 16.724 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.065 -2.249 17.083 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.099 -1.496 18.374 1.00 0.00 H new ATOM 1043 N MET A 70 20.166 -0.350 18.973 1.00 0.00 N ATOM 1044 CA MET A 70 21.357 0.439 19.313 1.00 0.00 C ATOM 1045 C MET A 70 22.315 0.558 18.114 1.00 0.00 C ATOM 1046 O MET A 70 23.389 1.152 18.235 1.00 0.00 O ATOM 1047 CB MET A 70 22.072 -0.199 20.518 1.00 0.00 C ATOM 1048 CG MET A 70 21.243 -0.135 21.806 1.00 0.00 C ATOM 1049 SD MET A 70 22.074 -0.827 23.262 1.00 0.00 S ATOM 1050 CE MET A 70 20.749 -0.618 24.484 1.00 0.00 C ATOM 0 H MET A 70 20.386 -1.191 18.439 1.00 0.00 H new ATOM 0 HA MET A 70 21.039 1.448 19.576 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.299 -1.240 20.290 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.024 0.307 20.679 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.987 0.905 22.008 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.306 -0.669 21.648 1.00 0.00 H new ATOM 0 HE1 MET A 70 21.084 -0.993 25.451 1.00 0.00 H new ATOM 0 HE2 MET A 70 20.498 0.439 24.572 1.00 0.00 H new ATOM 0 HE3 MET A 70 19.868 -1.175 24.164 1.00 0.00 H new ATOM 1060 N SER A 71 21.919 0.025 16.956 1.00 0.00 N ATOM 1061 CA SER A 71 22.657 0.028 15.703 1.00 0.00 C ATOM 1062 C SER A 71 21.644 0.182 14.567 1.00 0.00 C ATOM 1063 O SER A 71 20.453 -0.083 14.763 1.00 0.00 O ATOM 1064 CB SER A 71 23.439 -1.290 15.551 1.00 0.00 C ATOM 1065 OG SER A 71 24.291 -1.532 16.663 1.00 0.00 O ATOM 0 H SER A 71 21.019 -0.447 16.869 1.00 0.00 H new ATOM 0 HA SER A 71 23.374 0.849 15.681 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.738 -2.118 15.444 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.034 -1.256 14.638 1.00 0.00 H new ATOM 0 HG SER A 71 24.769 -2.377 16.531 1.00 0.00 H new ATOM 1071 N ILE A 72 22.104 0.578 13.379 1.00 0.00 N ATOM 1072 CA ILE A 72 21.286 0.696 12.174 1.00 0.00 C ATOM 1073 C ILE A 72 22.116 0.222 10.960 1.00 0.00 C ATOM 1074 O ILE A 72 23.347 0.298 11.026 1.00 0.00 O ATOM 1075 CB ILE A 72 20.744 2.138 11.999 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.858 3.210 11.941 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.715 2.476 13.096 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.341 4.593 11.529 1.00 0.00 C ATOM 0 H ILE A 72 23.080 0.831 13.226 1.00 0.00 H new ATOM 0 HA ILE A 72 20.407 0.058 12.261 1.00 0.00 H new ATOM 0 HB ILE A 72 20.248 2.160 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.335 3.283 12.919 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.625 2.890 11.236 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.350 3.493 12.951 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.879 1.779 13.038 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.187 2.396 14.075 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.170 5.300 11.507 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.890 4.533 10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.595 4.931 12.248 1.00 0.00 H new ATOM 1090 N PRO A 73 21.501 -0.255 9.858 1.00 0.00 N ATOM 1091 CA PRO A 73 20.068 -0.469 9.688 1.00 0.00 C ATOM 1092 C PRO A 73 19.586 -1.599 10.600 1.00 0.00 C ATOM 1093 O PRO A 73 20.258 -2.624 10.734 1.00 0.00 O ATOM 1094 CB PRO A 73 19.871 -0.834 8.211 1.00 0.00 C ATOM 1095 CG PRO A 73 21.206 -1.460 7.811 1.00 0.00 C ATOM 1096 CD PRO A 73 22.218 -0.707 8.673 1.00 0.00 C ATOM 0 HA PRO A 73 19.492 0.417 9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.045 -1.533 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.645 0.045 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.224 -2.531 8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.408 -1.331 6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.051 -1.354 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.638 0.139 8.128 1.00 0.00 H new ATOM 1104 N THR A 74 18.409 -1.418 11.190 1.00 0.00 N ATOM 1105 CA THR A 74 17.751 -2.451 11.978 1.00 0.00 C ATOM 1106 C THR A 74 16.299 -2.512 11.519 1.00 0.00 C ATOM 1107 O THR A 74 15.696 -1.490 11.190 1.00 0.00 O ATOM 1108 CB THR A 74 17.933 -2.160 13.478 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.299 -2.297 13.809 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.144 -3.126 14.367 1.00 0.00 C ATOM 0 H THR A 74 17.883 -0.546 11.134 1.00 0.00 H new ATOM 0 HA THR A 74 18.190 -3.437 11.826 1.00 0.00 H new ATOM 0 HB THR A 74 17.565 -1.149 13.654 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.588 -1.521 14.334 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.310 -2.874 15.414 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.081 -3.046 14.138 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.479 -4.147 14.182 1.00 0.00 H new ATOM 1118 N LEU A 75 15.745 -3.720 11.459 1.00 0.00 N ATOM 1119 CA LEU A 75 14.465 -4.000 10.841 1.00 0.00 C ATOM 1120 C LEU A 75 13.605 -4.697 11.877 1.00 0.00 C ATOM 1121 O LEU A 75 14.041 -5.682 12.476 1.00 0.00 O ATOM 1122 CB LEU A 75 14.647 -4.900 9.610 1.00 0.00 C ATOM 1123 CG LEU A 75 15.542 -4.329 8.494 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.669 -5.367 7.380 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.012 -3.015 7.916 1.00 0.00 C ATOM 0 H LEU A 75 16.191 -4.549 11.851 1.00 0.00 H new ATOM 0 HA LEU A 75 13.994 -3.076 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.067 -5.851 9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.664 -5.113 9.190 1.00 0.00 H new ATOM 0 HG LEU A 75 16.514 -4.109 8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.301 -4.972 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.116 -6.277 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.681 -5.593 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.686 -2.663 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.020 -3.177 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.952 -2.267 8.707 1.00 0.00 H new ATOM 1137 N LEU A 76 12.384 -4.210 12.078 1.00 0.00 N ATOM 1138 CA LEU A 76 11.433 -4.788 13.021 1.00 0.00 C ATOM 1139 C LEU A 76 10.262 -5.170 12.143 1.00 0.00 C ATOM 1140 O LEU A 76 9.686 -4.307 11.483 1.00 0.00 O ATOM 1141 CB LEU A 76 11.018 -3.770 14.111 1.00 0.00 C ATOM 1142 CG LEU A 76 11.946 -3.594 15.334 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.886 -4.825 16.241 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.402 -3.315 14.960 1.00 0.00 C ATOM 0 H LEU A 76 12.023 -3.393 11.585 1.00 0.00 H new ATOM 0 HA LEU A 76 11.845 -5.633 13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.908 -2.796 13.633 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.033 -4.058 14.479 1.00 0.00 H new ATOM 0 HG LEU A 76 11.573 -2.717 15.863 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.547 -4.680 17.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.864 -4.969 16.593 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.204 -5.705 15.682 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.996 -3.203 15.867 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.792 -4.146 14.372 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.458 -2.398 14.374 1.00 0.00 H new ATOM 1156 N VAL A 77 9.930 -6.452 12.084 1.00 0.00 N ATOM 1157 CA VAL A 77 8.725 -6.885 11.402 1.00 0.00 C ATOM 1158 C VAL A 77 7.669 -6.813 12.494 1.00 0.00 C ATOM 1159 O VAL A 77 7.840 -7.435 13.546 1.00 0.00 O ATOM 1160 CB VAL A 77 8.871 -8.301 10.807 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.749 -8.564 9.792 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.222 -8.541 10.108 1.00 0.00 C ATOM 0 H VAL A 77 10.478 -7.206 12.499 1.00 0.00 H new ATOM 0 HA VAL A 77 8.476 -6.269 10.538 1.00 0.00 H new ATOM 0 HB VAL A 77 8.811 -8.986 11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.861 -9.566 9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.782 -8.483 10.289 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.806 -7.830 8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.253 -9.557 9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.339 -7.831 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.032 -8.405 10.825 1.00 0.00 H new ATOM 1172 N LEU A 78 6.602 -6.052 12.280 1.00 0.00 N ATOM 1173 CA LEU A 78 5.470 -5.988 13.186 1.00 0.00 C ATOM 1174 C LEU A 78 4.285 -6.621 12.475 1.00 0.00 C ATOM 1175 O LEU A 78 4.240 -6.672 11.245 1.00 0.00 O ATOM 1176 CB LEU A 78 5.156 -4.542 13.631 1.00 0.00 C ATOM 1177 CG LEU A 78 6.220 -3.929 14.569 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.297 -3.159 13.797 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.596 -2.990 15.608 1.00 0.00 C ATOM 0 H LEU A 78 6.501 -5.455 11.459 1.00 0.00 H new ATOM 0 HA LEU A 78 5.701 -6.530 14.103 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.061 -3.913 12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.190 -4.530 14.136 1.00 0.00 H new ATOM 0 HG LEU A 78 6.682 -4.774 15.079 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.022 -2.746 14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.803 -3.834 13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.833 -2.348 13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.379 -2.582 16.246 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.081 -2.175 15.099 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.883 -3.545 16.218 1.00 0.00 H new ATOM 1191 N LYS A 79 3.309 -7.081 13.246 1.00 0.00 N ATOM 1192 CA LYS A 79 2.025 -7.518 12.737 1.00 0.00 C ATOM 1193 C LYS A 79 0.979 -6.943 13.671 1.00 0.00 C ATOM 1194 O LYS A 79 1.043 -7.174 14.877 1.00 0.00 O ATOM 1195 CB LYS A 79 1.970 -9.052 12.645 1.00 0.00 C ATOM 1196 CG LYS A 79 0.643 -9.509 12.031 1.00 0.00 C ATOM 1197 CD LYS A 79 0.581 -11.025 11.819 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.803 -11.401 11.266 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.902 -12.842 10.931 1.00 0.00 N ATOM 0 H LYS A 79 3.393 -7.161 14.259 1.00 0.00 H new ATOM 0 HA LYS A 79 1.846 -7.164 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.801 -9.415 12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.086 -9.486 13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.177 -9.203 12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.497 -9.006 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.361 -11.340 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.763 -11.544 12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.567 -11.148 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.009 -10.808 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.867 -13.058 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.226 -13.070 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.682 -13.410 11.774 1.00 0.00 H new ATOM 1213 N ASP A 80 0.030 -6.198 13.104 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.120 -5.626 13.809 1.00 0.00 C ATOM 1215 C ASP A 80 -0.710 -4.887 15.099 1.00 0.00 C ATOM 1216 O ASP A 80 -1.377 -4.963 16.132 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.194 -6.708 14.019 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.510 -6.136 14.580 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -3.987 -5.093 14.081 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.110 -6.766 15.481 1.00 0.00 O ATOM 0 H ASP A 80 0.040 -5.968 12.110 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.566 -4.850 13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.394 -7.205 13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.812 -7.467 14.702 1.00 0.00 H new ATOM 1225 N GLY A 81 0.430 -4.189 15.044 1.00 0.00 N ATOM 1226 CA GLY A 81 0.863 -3.252 16.074 1.00 0.00 C ATOM 1227 C GLY A 81 1.920 -3.790 17.040 1.00 0.00 C ATOM 1228 O GLY A 81 2.368 -3.025 17.897 1.00 0.00 O ATOM 0 H GLY A 81 1.086 -4.264 14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.258 -2.360 15.588 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.009 -2.942 16.650 1.00 0.00 H new ATOM 1232 N GLU A 82 2.346 -5.055 16.935 1.00 0.00 N ATOM 1233 CA GLU A 82 3.338 -5.650 17.828 1.00 0.00 C ATOM 1234 C GLU A 82 4.412 -6.377 17.018 1.00 0.00 C ATOM 1235 O GLU A 82 4.145 -6.815 15.900 1.00 0.00 O ATOM 1236 CB GLU A 82 2.618 -6.562 18.831 1.00 0.00 C ATOM 1237 CG GLU A 82 2.090 -7.889 18.264 1.00 0.00 C ATOM 1238 CD GLU A 82 1.379 -8.716 19.351 1.00 0.00 C ATOM 1239 OE1 GLU A 82 2.038 -9.534 20.032 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.148 -8.570 19.532 1.00 0.00 O ATOM 0 H GLU A 82 2.006 -5.697 16.219 1.00 0.00 H new ATOM 0 HA GLU A 82 3.857 -4.878 18.396 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.303 -6.784 19.649 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.780 -6.011 19.258 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.398 -7.688 17.446 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.917 -8.465 17.848 1.00 0.00 H new ATOM 1247 N VAL A 83 5.631 -6.488 17.551 1.00 0.00 N ATOM 1248 CA VAL A 83 6.741 -7.147 16.864 1.00 0.00 C ATOM 1249 C VAL A 83 6.387 -8.616 16.654 1.00 0.00 C ATOM 1250 O VAL A 83 5.926 -9.304 17.568 1.00 0.00 O ATOM 1251 CB VAL A 83 8.068 -6.960 17.631 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.260 -7.489 16.816 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.332 -5.478 17.943 1.00 0.00 C ATOM 0 H VAL A 83 5.875 -6.123 18.472 1.00 0.00 H new ATOM 0 HA VAL A 83 6.896 -6.687 15.888 1.00 0.00 H new ATOM 0 HB VAL A 83 7.969 -7.522 18.560 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.180 -7.344 17.381 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.121 -8.551 16.616 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.325 -6.947 15.872 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.274 -5.382 18.483 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.389 -4.915 17.012 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.521 -5.085 18.556 1.00 0.00 H new ATOM 1263 N VAL A 84 6.648 -9.084 15.438 1.00 0.00 N ATOM 1264 CA VAL A 84 6.464 -10.453 15.008 1.00 0.00 C ATOM 1265 C VAL A 84 7.810 -11.044 14.543 1.00 0.00 C ATOM 1266 O VAL A 84 7.984 -12.256 14.665 1.00 0.00 O ATOM 1267 CB VAL A 84 5.302 -10.491 13.983 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.712 -10.107 12.554 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.584 -11.842 13.977 1.00 0.00 C ATOM 0 H VAL A 84 7.010 -8.486 14.696 1.00 0.00 H new ATOM 0 HA VAL A 84 6.158 -11.111 15.821 1.00 0.00 H new ATOM 0 HB VAL A 84 4.610 -9.722 14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.842 -10.159 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.109 -9.092 12.550 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.476 -10.797 12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.778 -11.822 13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.292 -12.629 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.170 -12.039 14.966 1.00 0.00 H new ATOM 1279 N GLU A 85 8.796 -10.232 14.113 1.00 0.00 N ATOM 1280 CA GLU A 85 10.153 -10.699 13.780 1.00 0.00 C ATOM 1281 C GLU A 85 11.137 -9.516 13.845 1.00 0.00 C ATOM 1282 O GLU A 85 10.728 -8.369 14.026 1.00 0.00 O ATOM 1283 CB GLU A 85 10.187 -11.382 12.387 1.00 0.00 C ATOM 1284 CG GLU A 85 10.398 -12.907 12.422 1.00 0.00 C ATOM 1285 CD GLU A 85 11.755 -13.387 12.979 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.528 -12.585 13.547 1.00 0.00 O ATOM 1287 OE2 GLU A 85 12.045 -14.601 12.873 1.00 0.00 O ATOM 0 H GLU A 85 8.671 -9.228 13.987 1.00 0.00 H new ATOM 0 HA GLU A 85 10.455 -11.448 14.511 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.250 -11.170 11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.985 -10.932 11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.603 -13.351 13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.286 -13.293 11.409 1.00 0.00 H new ATOM 1294 N THR A 86 12.444 -9.760 13.730 1.00 0.00 N ATOM 1295 CA THR A 86 13.490 -8.738 13.789 1.00 0.00 C ATOM 1296 C THR A 86 14.675 -9.162 12.902 1.00 0.00 C ATOM 1297 O THR A 86 14.895 -10.355 12.672 1.00 0.00 O ATOM 1298 CB THR A 86 13.913 -8.555 15.262 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.780 -8.332 16.083 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.889 -7.395 15.500 1.00 0.00 C ATOM 0 H THR A 86 12.814 -10.700 13.589 1.00 0.00 H new ATOM 0 HA THR A 86 13.123 -7.784 13.412 1.00 0.00 H new ATOM 0 HB THR A 86 14.424 -9.483 15.519 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.067 -8.220 17.013 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.134 -7.337 16.561 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.800 -7.562 14.926 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.427 -6.460 15.183 1.00 0.00 H new ATOM 1308 N SER A 87 15.447 -8.202 12.386 1.00 0.00 N ATOM 1309 CA SER A 87 16.722 -8.420 11.708 1.00 0.00 C ATOM 1310 C SER A 87 17.619 -7.194 11.922 1.00 0.00 C ATOM 1311 O SER A 87 17.120 -6.092 12.150 1.00 0.00 O ATOM 1312 CB SER A 87 16.467 -8.679 10.218 1.00 0.00 C ATOM 1313 OG SER A 87 15.862 -9.945 10.041 1.00 0.00 O ATOM 0 H SER A 87 15.189 -7.216 12.432 1.00 0.00 H new ATOM 0 HA SER A 87 17.230 -9.292 12.119 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.823 -7.900 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.407 -8.636 9.668 1.00 0.00 H new ATOM 0 HG SER A 87 15.538 -10.276 10.905 1.00 0.00 H new ATOM 1319 N VAL A 88 18.941 -7.368 11.858 1.00 0.00 N ATOM 1320 CA VAL A 88 19.924 -6.309 12.088 1.00 0.00 C ATOM 1321 C VAL A 88 20.957 -6.397 10.961 1.00 0.00 C ATOM 1322 O VAL A 88 21.321 -7.502 10.543 1.00 0.00 O ATOM 1323 CB VAL A 88 20.558 -6.475 13.491 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.515 -5.320 13.828 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.509 -6.566 14.615 1.00 0.00 C ATOM 0 H VAL A 88 19.366 -8.269 11.640 1.00 0.00 H new ATOM 0 HA VAL A 88 19.465 -5.320 12.074 1.00 0.00 H new ATOM 0 HB VAL A 88 21.108 -7.415 13.440 1.00 0.00 H new ATOM 0 HG11 VAL A 88 21.938 -5.476 14.821 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.319 -5.287 13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 88 20.968 -4.377 13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.013 -6.681 15.575 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.909 -5.656 14.627 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.861 -7.425 14.440 1.00 0.00 H new ATOM 1335 N GLY A 89 21.437 -5.252 10.474 1.00 0.00 N ATOM 1336 CA GLY A 89 22.402 -5.185 9.384 1.00 0.00 C ATOM 1337 C GLY A 89 21.750 -5.464 8.029 1.00 0.00 C ATOM 1338 O GLY A 89 20.533 -5.651 7.928 1.00 0.00 O ATOM 0 H GLY A 89 21.162 -4.337 10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.864 -4.198 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.199 -5.908 9.559 1.00 0.00 H new ATOM 1342 N PHE A 90 22.569 -5.467 6.972 1.00 0.00 N ATOM 1343 CA PHE A 90 22.116 -5.732 5.609 1.00 0.00 C ATOM 1344 C PHE A 90 21.479 -7.116 5.512 1.00 0.00 C ATOM 1345 O PHE A 90 21.918 -8.064 6.171 1.00 0.00 O ATOM 1346 CB PHE A 90 23.290 -5.579 4.627 1.00 0.00 C ATOM 1347 CG PHE A 90 22.915 -5.796 3.171 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.948 -7.091 2.614 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.506 -4.708 2.376 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.555 -7.298 1.281 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.121 -4.915 1.039 1.00 0.00 C ATOM 1352 CZ PHE A 90 22.142 -6.211 0.492 1.00 0.00 C ATOM 0 H PHE A 90 23.570 -5.284 7.042 1.00 0.00 H new ATOM 0 HA PHE A 90 21.352 -5.003 5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.713 -4.581 4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 90 24.072 -6.288 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.277 -7.927 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.488 -3.712 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.570 -8.293 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.809 -4.078 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.841 -6.370 -0.533 1.00 0.00 H new ATOM 1362 N LYS A 91 20.437 -7.222 4.685 1.00 0.00 N ATOM 1363 CA LYS A 91 19.644 -8.427 4.501 1.00 0.00 C ATOM 1364 C LYS A 91 19.109 -8.417 3.066 1.00 0.00 C ATOM 1365 O LYS A 91 18.675 -7.353 2.616 1.00 0.00 O ATOM 1366 CB LYS A 91 18.493 -8.411 5.532 1.00 0.00 C ATOM 1367 CG LYS A 91 18.268 -9.748 6.249 1.00 0.00 C ATOM 1368 CD LYS A 91 19.465 -10.286 7.054 1.00 0.00 C ATOM 1369 CE LYS A 91 19.877 -9.341 8.193 1.00 0.00 C ATOM 1370 NZ LYS A 91 21.304 -9.495 8.562 1.00 0.00 N ATOM 0 H LYS A 91 20.116 -6.444 4.109 1.00 0.00 H new ATOM 0 HA LYS A 91 20.232 -9.332 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.699 -7.643 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.571 -8.124 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.420 -9.638 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.989 -10.495 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.211 -11.262 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.312 -10.435 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.691 -8.310 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.255 -9.535 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.511 -8.913 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.501 -10.493 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.903 -9.187 7.769 1.00 0.00 H new ATOM 1384 N PRO A 92 19.129 -9.546 2.338 1.00 0.00 N ATOM 1385 CA PRO A 92 18.575 -9.607 0.995 1.00 0.00 C ATOM 1386 C PRO A 92 17.044 -9.584 1.045 1.00 0.00 C ATOM 1387 O PRO A 92 16.427 -10.033 2.018 1.00 0.00 O ATOM 1388 CB PRO A 92 19.114 -10.906 0.396 1.00 0.00 C ATOM 1389 CG PRO A 92 19.304 -11.811 1.611 1.00 0.00 C ATOM 1390 CD PRO A 92 19.692 -10.834 2.721 1.00 0.00 C ATOM 0 HA PRO A 92 18.862 -8.750 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.415 -11.338 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.053 -10.744 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.391 -12.354 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.082 -12.555 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.299 -11.161 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.775 -10.771 2.824 1.00 0.00 H new ATOM 1398 N LYS A 93 16.420 -9.102 -0.035 1.00 0.00 N ATOM 1399 CA LYS A 93 14.965 -8.983 -0.127 1.00 0.00 C ATOM 1400 C LYS A 93 14.277 -10.336 0.002 1.00 0.00 C ATOM 1401 O LYS A 93 13.159 -10.387 0.504 1.00 0.00 O ATOM 1402 CB LYS A 93 14.529 -8.268 -1.420 1.00 0.00 C ATOM 1403 CG LYS A 93 15.009 -8.948 -2.711 1.00 0.00 C ATOM 1404 CD LYS A 93 14.648 -8.125 -3.949 1.00 0.00 C ATOM 1405 CE LYS A 93 14.998 -8.940 -5.201 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.554 -8.273 -6.443 1.00 0.00 N ATOM 0 H LYS A 93 16.912 -8.784 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 93 14.648 -8.368 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.441 -8.207 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.905 -7.245 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.089 -9.088 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.562 -9.939 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.586 -7.879 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.194 -7.181 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.076 -9.097 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.534 -9.924 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.796 -8.867 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.524 -8.130 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.029 -7.352 -6.531 1.00 0.00 H new ATOM 1420 N GLU A 94 14.913 -11.415 -0.452 1.00 0.00 N ATOM 1421 CA GLU A 94 14.349 -12.756 -0.399 1.00 0.00 C ATOM 1422 C GLU A 94 14.209 -13.220 1.053 1.00 0.00 C ATOM 1423 O GLU A 94 13.176 -13.776 1.421 1.00 0.00 O ATOM 1424 CB GLU A 94 15.211 -13.756 -1.193 1.00 0.00 C ATOM 1425 CG GLU A 94 15.363 -13.414 -2.687 1.00 0.00 C ATOM 1426 CD GLU A 94 16.667 -12.659 -3.007 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.921 -11.596 -2.399 1.00 0.00 O ATOM 1428 OE2 GLU A 94 17.439 -13.126 -3.877 1.00 0.00 O ATOM 0 H GLU A 94 15.843 -11.379 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 94 13.361 -12.720 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.201 -13.804 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.771 -14.749 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.332 -14.335 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.513 -12.809 -3.003 1.00 0.00 H new ATOM 1435 N ALA A 95 15.216 -12.964 1.898 1.00 0.00 N ATOM 1436 CA ALA A 95 15.168 -13.350 3.304 1.00 0.00 C ATOM 1437 C ALA A 95 14.062 -12.576 4.018 1.00 0.00 C ATOM 1438 O ALA A 95 13.268 -13.150 4.765 1.00 0.00 O ATOM 1439 CB ALA A 95 16.524 -13.103 3.973 1.00 0.00 C ATOM 0 H ALA A 95 16.076 -12.488 1.625 1.00 0.00 H new ATOM 0 HA ALA A 95 14.947 -14.415 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.471 -13.396 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.291 -13.692 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.776 -12.045 3.904 1.00 0.00 H new ATOM 1445 N LEU A 96 13.984 -11.271 3.751 1.00 0.00 N ATOM 1446 CA LEU A 96 12.952 -10.424 4.326 1.00 0.00 C ATOM 1447 C LEU A 96 11.570 -10.877 3.868 1.00 0.00 C ATOM 1448 O LEU A 96 10.652 -10.936 4.681 1.00 0.00 O ATOM 1449 CB LEU A 96 13.199 -8.947 3.987 1.00 0.00 C ATOM 1450 CG LEU A 96 14.511 -8.380 4.563 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.655 -6.912 4.150 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.583 -8.500 6.091 1.00 0.00 C ATOM 0 H LEU A 96 14.632 -10.780 3.134 1.00 0.00 H new ATOM 0 HA LEU A 96 12.994 -10.521 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.211 -8.831 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.364 -8.355 4.362 1.00 0.00 H new ATOM 0 HG LEU A 96 15.331 -8.971 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.583 -6.509 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.674 -6.840 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.811 -6.341 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.527 -8.086 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.755 -7.950 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.518 -9.550 6.377 1.00 0.00 H new ATOM 1464 N GLN A 97 11.427 -11.258 2.599 1.00 0.00 N ATOM 1465 CA GLN A 97 10.193 -11.816 2.071 1.00 0.00 C ATOM 1466 C GLN A 97 9.808 -13.092 2.791 1.00 0.00 C ATOM 1467 O GLN A 97 8.634 -13.263 3.092 1.00 0.00 O ATOM 1468 CB GLN A 97 10.313 -12.085 0.562 1.00 0.00 C ATOM 1469 CG GLN A 97 9.878 -10.843 -0.199 1.00 0.00 C ATOM 1470 CD GLN A 97 10.228 -10.898 -1.682 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.547 -11.532 -2.483 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.288 -10.213 -2.072 1.00 0.00 N ATOM 0 H GLN A 97 12.173 -11.185 1.907 1.00 0.00 H new ATOM 0 HA GLN A 97 9.409 -11.078 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.341 -12.342 0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.692 -12.935 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.801 -10.716 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.349 -9.967 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.839 -9.693 -1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.555 -10.204 -3.056 1.00 0.00 H new ATOM 1481 N GLU A 98 10.759 -13.972 3.094 1.00 0.00 N ATOM 1482 CA GLU A 98 10.456 -15.182 3.843 1.00 0.00 C ATOM 1483 C GLU A 98 9.955 -14.820 5.241 1.00 0.00 C ATOM 1484 O GLU A 98 8.955 -15.380 5.683 1.00 0.00 O ATOM 1485 CB GLU A 98 11.668 -16.128 3.898 1.00 0.00 C ATOM 1486 CG GLU A 98 11.934 -16.851 2.569 1.00 0.00 C ATOM 1487 CD GLU A 98 10.853 -17.899 2.242 1.00 0.00 C ATOM 1488 OE1 GLU A 98 10.950 -19.049 2.728 1.00 0.00 O ATOM 1489 OE2 GLU A 98 9.911 -17.594 1.478 1.00 0.00 O ATOM 0 H GLU A 98 11.740 -13.868 2.833 1.00 0.00 H new ATOM 0 HA GLU A 98 9.662 -15.721 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.554 -15.557 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.507 -16.869 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.981 -16.118 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.908 -17.339 2.613 1.00 0.00 H new ATOM 1496 N LEU A 99 10.579 -13.850 5.916 1.00 0.00 N ATOM 1497 CA LEU A 99 10.117 -13.422 7.242 1.00 0.00 C ATOM 1498 C LEU A 99 8.714 -12.816 7.175 1.00 0.00 C ATOM 1499 O LEU A 99 7.883 -13.125 8.024 1.00 0.00 O ATOM 1500 CB LEU A 99 11.090 -12.437 7.913 1.00 0.00 C ATOM 1501 CG LEU A 99 12.484 -13.006 8.239 1.00 0.00 C ATOM 1502 CD1 LEU A 99 13.258 -11.986 9.081 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.436 -14.350 8.980 1.00 0.00 C ATOM 0 H LEU A 99 11.398 -13.350 5.571 1.00 0.00 H new ATOM 0 HA LEU A 99 10.081 -14.320 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.212 -11.572 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.637 -12.078 8.837 1.00 0.00 H new ATOM 0 HG LEU A 99 12.984 -13.191 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.246 -12.382 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.363 -11.057 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.716 -11.792 10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.452 -14.693 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.904 -14.227 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.918 -15.086 8.365 1.00 0.00 H new ATOM 1515 N VAL A 100 8.417 -11.998 6.165 1.00 0.00 N ATOM 1516 CA VAL A 100 7.070 -11.497 5.901 1.00 0.00 C ATOM 1517 C VAL A 100 6.116 -12.687 5.706 1.00 0.00 C ATOM 1518 O VAL A 100 5.063 -12.767 6.340 1.00 0.00 O ATOM 1519 CB VAL A 100 7.133 -10.549 4.678 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.759 -10.187 4.100 1.00 0.00 C ATOM 1521 CG2 VAL A 100 7.874 -9.244 5.008 1.00 0.00 C ATOM 0 H VAL A 100 9.114 -11.661 5.500 1.00 0.00 H new ATOM 0 HA VAL A 100 6.680 -10.921 6.740 1.00 0.00 H new ATOM 0 HB VAL A 100 7.678 -11.117 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.887 -9.521 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.249 -11.095 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.163 -9.688 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.897 -8.605 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.357 -8.727 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.894 -9.473 5.317 1.00 0.00 H new ATOM 1531 N ASN A 101 6.503 -13.640 4.860 1.00 0.00 N ATOM 1532 CA ASN A 101 5.694 -14.780 4.444 1.00 0.00 C ATOM 1533 C ASN A 101 5.347 -15.697 5.622 1.00 0.00 C ATOM 1534 O ASN A 101 4.250 -16.256 5.648 1.00 0.00 O ATOM 1535 CB ASN A 101 6.445 -15.540 3.341 1.00 0.00 C ATOM 1536 CG ASN A 101 5.610 -16.632 2.684 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.363 -17.691 3.251 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.197 -16.403 1.449 1.00 0.00 N ATOM 0 H ASN A 101 7.427 -13.637 4.429 1.00 0.00 H new ATOM 0 HA ASN A 101 4.743 -14.417 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.769 -14.832 2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.345 -15.986 3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.662 -17.114 0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.413 -15.515 0.995 1.00 0.00 H new ATOM 1545 N LYS A 102 6.223 -15.801 6.633 1.00 0.00 N ATOM 1546 CA LYS A 102 5.940 -16.553 7.859 1.00 0.00 C ATOM 1547 C LYS A 102 4.698 -16.029 8.586 1.00 0.00 C ATOM 1548 O LYS A 102 4.084 -16.803 9.324 1.00 0.00 O ATOM 1549 CB LYS A 102 7.131 -16.510 8.837 1.00 0.00 C ATOM 1550 CG LYS A 102 8.332 -17.374 8.426 1.00 0.00 C ATOM 1551 CD LYS A 102 9.427 -17.318 9.500 1.00 0.00 C ATOM 1552 CE LYS A 102 10.635 -18.163 9.071 1.00 0.00 C ATOM 1553 NZ LYS A 102 11.691 -18.205 10.113 1.00 0.00 N ATOM 0 H LYS A 102 7.145 -15.366 6.621 1.00 0.00 H new ATOM 0 HA LYS A 102 5.760 -17.580 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.462 -15.477 8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.788 -16.833 9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.012 -18.405 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.730 -17.024 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.736 -16.285 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.035 -17.686 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.305 -19.178 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.052 -17.755 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.486 -18.787 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.026 -17.240 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.302 -18.618 10.985 1.00 0.00 H new ATOM 1567 N HIS A 103 4.319 -14.758 8.396 1.00 0.00 N ATOM 1568 CA HIS A 103 3.303 -14.104 9.217 1.00 0.00 C ATOM 1569 C HIS A 103 2.156 -13.489 8.410 1.00 0.00 C ATOM 1570 O HIS A 103 1.120 -13.184 9.006 1.00 0.00 O ATOM 1571 CB HIS A 103 3.993 -13.078 10.129 1.00 0.00 C ATOM 1572 CG HIS A 103 5.090 -13.696 10.964 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.948 -14.718 11.878 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.428 -13.420 10.876 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.171 -15.043 12.331 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.111 -14.278 11.748 1.00 0.00 N ATOM 0 H HIS A 103 4.710 -14.159 7.669 1.00 0.00 H new ATOM 0 HA HIS A 103 2.817 -14.867 9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.412 -12.277 9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.252 -12.624 10.786 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.069 -15.152 12.161 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.879 -12.670 10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.371 -15.812 13.062 1.00 0.00 H new ATOM 1584 N LEU A 104 2.290 -13.322 7.088 1.00 0.00 N ATOM 1585 CA LEU A 104 1.167 -12.966 6.225 1.00 0.00 C ATOM 1586 C LEU A 104 0.080 -14.029 6.355 1.00 0.00 C ATOM 1587 O LEU A 104 -1.104 -13.653 6.467 1.00 0.00 O ATOM 1588 CB LEU A 104 1.591 -12.820 4.749 1.00 0.00 C ATOM 1589 CG LEU A 104 2.270 -11.491 4.378 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.623 -11.512 2.886 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.380 -10.272 4.651 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.401 -15.236 6.307 1.00 0.00 O ATOM 0 H LEU A 104 3.176 -13.430 6.594 1.00 0.00 H new ATOM 0 HA LEU A 104 0.787 -11.996 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.271 -13.635 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.707 -12.943 4.123 1.00 0.00 H new ATOM 0 HG LEU A 104 3.160 -11.398 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.105 -10.573 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.302 -12.341 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.713 -11.637 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.912 -9.363 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.464 -10.352 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.131 -10.233 5.711 1.00 0.00 H new