USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=19 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 102 LYS NZ :NH3+ 160:sc= 2.43 (180deg=0.815) USER MOD Set 1.2: A 103 HIS : no HE2:sc= -0.342 K(o=2.1,f=-7.3) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0.266 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 16 SER OG : rot 79:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 2.03 (180deg=1.49) USER MOD Single : A 34 MET CE :methyl -161:sc= -0.124 (180deg=-0.539) USER MOD Single : A 44 GLN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.22) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 3.57 (180deg=3.49) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.12) USER MOD Single : A 60 ASN : amide:sc= 0.939 K(o=0.94,f=-4.6!) USER MOD Single : A 61 GLN : amide:sc= 1.11 K(o=1.1,f=-0.049) USER MOD Single : A 63 THR OG1 : rot -52:sc= 1.26 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -146:sc= 0.286 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 129:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 10:sc= 0.58 USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= 2.16 (180deg=0.254) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 2.52 (180deg=2.52) USER MOD Single : A 97 GLN : amide:sc= 0.459 X(o=0.46,f=-0.0062) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.345 2.125 1.090 1.00 0.00 N ATOM 31 CA ILE A 3 7.340 2.682 1.979 1.00 0.00 C ATOM 32 C ILE A 3 6.773 3.990 2.520 1.00 0.00 C ATOM 33 O ILE A 3 6.243 4.814 1.769 1.00 0.00 O ATOM 34 CB ILE A 3 8.658 2.851 1.211 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.144 1.497 0.636 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.765 3.470 2.088 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.770 1.699 -0.741 1.00 0.00 C ATOM 0 HA ILE A 3 7.564 2.033 2.826 1.00 0.00 H new ATOM 0 HB ILE A 3 8.454 3.537 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.872 1.048 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.306 0.803 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.679 3.571 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.447 4.453 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.953 2.825 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.107 0.739 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.030 2.127 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.621 2.375 -0.658 1.00 0.00 H new ATOM 49 N VAL A 4 6.895 4.167 3.828 1.00 0.00 N ATOM 50 CA VAL A 4 6.299 5.247 4.592 1.00 0.00 C ATOM 51 C VAL A 4 7.385 5.755 5.544 1.00 0.00 C ATOM 52 O VAL A 4 8.351 5.047 5.847 1.00 0.00 O ATOM 53 CB VAL A 4 5.032 4.729 5.323 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.180 5.872 5.898 1.00 0.00 C ATOM 55 CG2 VAL A 4 4.116 3.879 4.417 1.00 0.00 C ATOM 0 H VAL A 4 7.439 3.530 4.410 1.00 0.00 H new ATOM 0 HA VAL A 4 5.963 6.073 3.965 1.00 0.00 H new ATOM 0 HB VAL A 4 5.422 4.108 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.305 5.457 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.772 6.443 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.858 6.528 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.248 3.547 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.786 4.478 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.667 3.011 4.055 1.00 0.00 H new ATOM 65 N LYS A 5 7.226 6.986 6.019 1.00 0.00 N ATOM 66 CA LYS A 5 8.159 7.686 6.893 1.00 0.00 C ATOM 67 C LYS A 5 7.382 7.998 8.163 1.00 0.00 C ATOM 68 O LYS A 5 6.302 8.587 8.073 1.00 0.00 O ATOM 69 CB LYS A 5 8.644 8.955 6.194 1.00 0.00 C ATOM 70 CG LYS A 5 9.468 8.592 4.942 1.00 0.00 C ATOM 71 CD LYS A 5 10.491 9.682 4.619 1.00 0.00 C ATOM 72 CE LYS A 5 11.610 9.620 5.670 1.00 0.00 C ATOM 73 NZ LYS A 5 12.301 10.929 5.816 1.00 0.00 N ATOM 0 H LYS A 5 6.405 7.548 5.794 1.00 0.00 H new ATOM 0 HA LYS A 5 9.044 7.096 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.791 9.571 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.251 9.547 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.981 7.644 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.800 8.452 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.900 9.535 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.016 10.663 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.191 9.321 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.334 8.856 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.049 10.848 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.722 11.203 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.615 11.653 6.111 1.00 0.00 H new ATOM 87 N ALA A 6 7.894 7.582 9.319 1.00 0.00 N ATOM 88 CA ALA A 6 7.176 7.694 10.588 1.00 0.00 C ATOM 89 C ALA A 6 8.092 8.183 11.705 1.00 0.00 C ATOM 90 O ALA A 6 9.320 8.162 11.587 1.00 0.00 O ATOM 91 CB ALA A 6 6.557 6.339 10.956 1.00 0.00 C ATOM 0 H ALA A 6 8.818 7.158 9.403 1.00 0.00 H new ATOM 0 HA ALA A 6 6.382 8.431 10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.023 6.428 11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.862 6.032 10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.346 5.593 11.053 1.00 0.00 H new ATOM 97 N THR A 7 7.470 8.579 12.810 1.00 0.00 N ATOM 98 CA THR A 7 8.106 8.942 14.065 1.00 0.00 C ATOM 99 C THR A 7 7.366 8.222 15.189 1.00 0.00 C ATOM 100 O THR A 7 6.339 7.583 14.957 1.00 0.00 O ATOM 101 CB THR A 7 8.066 10.469 14.268 1.00 0.00 C ATOM 102 OG1 THR A 7 6.761 10.978 14.058 1.00 0.00 O ATOM 103 CG2 THR A 7 9.029 11.195 13.323 1.00 0.00 C ATOM 0 H THR A 7 6.454 8.659 12.853 1.00 0.00 H new ATOM 0 HA THR A 7 9.155 8.644 14.060 1.00 0.00 H new ATOM 0 HB THR A 7 8.373 10.650 15.298 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.762 11.948 14.195 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.970 12.269 13.498 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.047 10.852 13.508 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.756 10.981 12.290 1.00 0.00 H new ATOM 111 N ASP A 8 7.841 8.359 16.425 1.00 0.00 N ATOM 112 CA ASP A 8 7.216 7.772 17.606 1.00 0.00 C ATOM 113 C ASP A 8 5.733 8.148 17.733 1.00 0.00 C ATOM 114 O ASP A 8 4.930 7.373 18.253 1.00 0.00 O ATOM 115 CB ASP A 8 7.966 8.223 18.864 1.00 0.00 C ATOM 116 CG ASP A 8 7.535 7.386 20.077 1.00 0.00 C ATOM 117 OD1 ASP A 8 7.925 6.198 20.147 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.842 7.922 20.971 1.00 0.00 O ATOM 0 H ASP A 8 8.686 8.890 16.637 1.00 0.00 H new ATOM 0 HA ASP A 8 7.272 6.689 17.497 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.040 8.123 18.709 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.768 9.278 19.054 1.00 0.00 H new ATOM 123 N GLN A 9 5.367 9.331 17.220 1.00 0.00 N ATOM 124 CA GLN A 9 4.009 9.860 17.222 1.00 0.00 C ATOM 125 C GLN A 9 3.049 9.047 16.340 1.00 0.00 C ATOM 126 O GLN A 9 1.852 9.002 16.632 1.00 0.00 O ATOM 127 CB GLN A 9 4.027 11.319 16.738 1.00 0.00 C ATOM 128 CG GLN A 9 4.853 12.251 17.638 1.00 0.00 C ATOM 129 CD GLN A 9 4.799 13.695 17.139 1.00 0.00 C ATOM 130 OE1 GLN A 9 5.604 14.117 16.312 1.00 0.00 O ATOM 131 NE2 GLN A 9 3.852 14.489 17.617 1.00 0.00 N ATOM 0 H GLN A 9 6.036 9.962 16.779 1.00 0.00 H new ATOM 0 HA GLN A 9 3.642 9.794 18.246 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.430 11.353 15.726 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.003 11.689 16.686 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.476 12.202 18.659 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.888 11.911 17.664 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.187 14.133 18.303 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.788 15.456 17.299 1.00 0.00 H new ATOM 140 N SER A 10 3.549 8.414 15.276 1.00 0.00 N ATOM 141 CA SER A 10 2.744 7.795 14.226 1.00 0.00 C ATOM 142 C SER A 10 3.048 6.308 14.023 1.00 0.00 C ATOM 143 O SER A 10 2.244 5.598 13.417 1.00 0.00 O ATOM 144 CB SER A 10 2.974 8.598 12.941 1.00 0.00 C ATOM 145 OG SER A 10 4.357 8.774 12.655 1.00 0.00 O ATOM 0 H SER A 10 4.552 8.317 15.119 1.00 0.00 H new ATOM 0 HA SER A 10 1.695 7.822 14.520 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.494 8.088 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.497 9.574 13.035 1.00 0.00 H new ATOM 0 HG SER A 10 4.457 9.289 11.827 1.00 0.00 H new ATOM 151 N PHE A 11 4.175 5.822 14.550 1.00 0.00 N ATOM 152 CA PHE A 11 4.684 4.479 14.314 1.00 0.00 C ATOM 153 C PHE A 11 3.635 3.408 14.609 1.00 0.00 C ATOM 154 O PHE A 11 3.403 2.531 13.775 1.00 0.00 O ATOM 155 CB PHE A 11 5.944 4.274 15.167 1.00 0.00 C ATOM 156 CG PHE A 11 6.681 2.994 14.854 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.506 2.939 13.715 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.548 1.867 15.685 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.206 1.763 13.415 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.249 0.688 15.378 1.00 0.00 C ATOM 161 CZ PHE A 11 8.079 0.636 14.247 1.00 0.00 C ATOM 0 H PHE A 11 4.771 6.371 15.169 1.00 0.00 H new ATOM 0 HA PHE A 11 4.934 4.377 13.258 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.617 5.118 15.015 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.664 4.275 16.220 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.599 3.802 13.073 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.910 1.907 16.555 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.844 1.722 12.544 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.149 -0.180 16.013 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.620 -0.270 14.016 1.00 0.00 H new ATOM 171 N SER A 12 2.967 3.488 15.761 1.00 0.00 N ATOM 172 CA SER A 12 1.981 2.498 16.178 1.00 0.00 C ATOM 173 C SER A 12 0.776 2.463 15.233 1.00 0.00 C ATOM 174 O SER A 12 0.276 1.387 14.898 1.00 0.00 O ATOM 175 CB SER A 12 1.545 2.798 17.618 1.00 0.00 C ATOM 176 OG SER A 12 2.676 3.056 18.442 1.00 0.00 O ATOM 0 H SER A 12 3.097 4.246 16.431 1.00 0.00 H new ATOM 0 HA SER A 12 2.439 1.510 16.137 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.877 3.659 17.629 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.983 1.953 18.017 1.00 0.00 H new ATOM 0 HG SER A 12 2.378 3.247 19.356 1.00 0.00 H new ATOM 182 N ALA A 13 0.329 3.633 14.767 1.00 0.00 N ATOM 183 CA ALA A 13 -0.788 3.734 13.844 1.00 0.00 C ATOM 184 C ALA A 13 -0.417 3.099 12.506 1.00 0.00 C ATOM 185 O ALA A 13 -1.204 2.338 11.942 1.00 0.00 O ATOM 186 CB ALA A 13 -1.204 5.199 13.665 1.00 0.00 C ATOM 0 H ALA A 13 0.736 4.532 15.023 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.640 3.193 14.255 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.042 5.257 12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.502 5.613 14.628 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.364 5.770 13.269 1.00 0.00 H new ATOM 192 N GLU A 14 0.791 3.376 12.014 1.00 0.00 N ATOM 193 CA GLU A 14 1.257 2.842 10.744 1.00 0.00 C ATOM 194 C GLU A 14 1.417 1.323 10.821 1.00 0.00 C ATOM 195 O GLU A 14 0.988 0.616 9.907 1.00 0.00 O ATOM 196 CB GLU A 14 2.574 3.511 10.307 1.00 0.00 C ATOM 197 CG GLU A 14 2.408 4.975 9.863 1.00 0.00 C ATOM 198 CD GLU A 14 1.423 5.170 8.691 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.170 4.210 7.927 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.891 6.293 8.536 1.00 0.00 O ATOM 0 H GLU A 14 1.468 3.975 12.486 1.00 0.00 H new ATOM 0 HA GLU A 14 0.503 3.068 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.284 3.470 11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.007 2.939 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.066 5.565 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.382 5.369 9.574 1.00 0.00 H new ATOM 207 N THR A 15 1.988 0.812 11.912 1.00 0.00 N ATOM 208 CA THR A 15 2.290 -0.600 12.090 1.00 0.00 C ATOM 209 C THR A 15 1.068 -1.448 12.446 1.00 0.00 C ATOM 210 O THR A 15 1.171 -2.676 12.497 1.00 0.00 O ATOM 211 CB THR A 15 3.446 -0.763 13.087 1.00 0.00 C ATOM 212 OG1 THR A 15 3.197 -0.084 14.296 1.00 0.00 O ATOM 213 CG2 THR A 15 4.772 -0.251 12.508 1.00 0.00 C ATOM 0 H THR A 15 2.258 1.385 12.712 1.00 0.00 H new ATOM 0 HA THR A 15 2.612 -0.993 11.126 1.00 0.00 H new ATOM 0 HB THR A 15 3.522 -1.833 13.283 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.464 0.855 14.205 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.565 -0.384 13.243 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.016 -0.812 11.606 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.678 0.807 12.263 1.00 0.00 H new ATOM 221 N SER A 16 -0.093 -0.824 12.662 1.00 0.00 N ATOM 222 CA SER A 16 -1.315 -1.556 12.944 1.00 0.00 C ATOM 223 C SER A 16 -1.887 -2.259 11.708 1.00 0.00 C ATOM 224 O SER A 16 -2.656 -3.208 11.849 1.00 0.00 O ATOM 225 CB SER A 16 -2.351 -0.607 13.548 1.00 0.00 C ATOM 226 OG SER A 16 -1.940 -0.144 14.824 1.00 0.00 O ATOM 0 H SER A 16 -0.205 0.190 12.645 1.00 0.00 H new ATOM 0 HA SER A 16 -1.068 -2.341 13.658 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.502 0.242 12.882 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.310 -1.119 13.635 1.00 0.00 H new ATOM 0 HG SER A 16 -1.275 0.568 14.715 1.00 0.00 H new ATOM 232 N GLU A 17 -1.541 -1.815 10.501 1.00 0.00 N ATOM 233 CA GLU A 17 -2.196 -2.276 9.278 1.00 0.00 C ATOM 234 C GLU A 17 -1.522 -3.540 8.719 1.00 0.00 C ATOM 235 O GLU A 17 -0.843 -3.497 7.690 1.00 0.00 O ATOM 236 CB GLU A 17 -2.307 -1.132 8.255 1.00 0.00 C ATOM 237 CG GLU A 17 -3.194 0.012 8.770 1.00 0.00 C ATOM 238 CD GLU A 17 -3.500 1.035 7.665 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.568 1.749 7.230 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.670 1.141 7.230 1.00 0.00 O ATOM 0 H GLU A 17 -0.803 -1.129 10.343 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.217 -2.573 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.312 -0.747 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.717 -1.518 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.128 -0.397 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.697 0.512 9.601 1.00 0.00 H new ATOM 247 N GLY A 18 -1.720 -4.675 9.396 1.00 0.00 N ATOM 248 CA GLY A 18 -1.297 -5.985 8.920 1.00 0.00 C ATOM 249 C GLY A 18 0.156 -6.244 9.294 1.00 0.00 C ATOM 250 O GLY A 18 0.628 -5.752 10.322 1.00 0.00 O ATOM 0 H GLY A 18 -2.186 -4.704 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.933 -6.758 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.416 -6.041 7.838 1.00 0.00 H new ATOM 254 N VAL A 19 0.846 -7.055 8.493 1.00 0.00 N ATOM 255 CA VAL A 19 2.295 -7.200 8.598 1.00 0.00 C ATOM 256 C VAL A 19 2.910 -5.910 8.060 1.00 0.00 C ATOM 257 O VAL A 19 2.554 -5.441 6.973 1.00 0.00 O ATOM 258 CB VAL A 19 2.818 -8.435 7.835 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.353 -8.556 7.925 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.208 -9.724 8.408 1.00 0.00 C ATOM 0 H VAL A 19 0.421 -7.624 7.761 1.00 0.00 H new ATOM 0 HA VAL A 19 2.579 -7.363 9.638 1.00 0.00 H new ATOM 0 HB VAL A 19 2.526 -8.304 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.681 -9.438 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.814 -7.667 7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.650 -8.648 8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.589 -10.583 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.479 -9.818 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.123 -9.686 8.315 1.00 0.00 H new ATOM 270 N VAL A 20 3.864 -5.366 8.804 1.00 0.00 N ATOM 271 CA VAL A 20 4.588 -4.155 8.473 1.00 0.00 C ATOM 272 C VAL A 20 6.046 -4.433 8.830 1.00 0.00 C ATOM 273 O VAL A 20 6.318 -5.120 9.816 1.00 0.00 O ATOM 274 CB VAL A 20 3.985 -2.968 9.257 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.679 -1.648 8.895 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.475 -2.828 8.981 1.00 0.00 C ATOM 0 H VAL A 20 4.163 -5.776 9.689 1.00 0.00 H new ATOM 0 HA VAL A 20 4.517 -3.884 7.420 1.00 0.00 H new ATOM 0 HB VAL A 20 4.142 -3.178 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.231 -0.833 9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.740 -1.717 9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.560 -1.455 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.078 -1.985 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.314 -2.659 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.963 -3.741 9.285 1.00 0.00 H new ATOM 286 N LEU A 21 6.987 -3.912 8.047 1.00 0.00 N ATOM 287 CA LEU A 21 8.410 -4.133 8.256 1.00 0.00 C ATOM 288 C LEU A 21 9.040 -2.753 8.405 1.00 0.00 C ATOM 289 O LEU A 21 9.169 -1.986 7.450 1.00 0.00 O ATOM 290 CB LEU A 21 8.963 -5.027 7.134 1.00 0.00 C ATOM 291 CG LEU A 21 10.359 -5.612 7.427 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.702 -6.674 6.375 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.472 -4.563 7.464 1.00 0.00 C ATOM 0 H LEU A 21 6.778 -3.320 7.243 1.00 0.00 H new ATOM 0 HA LEU A 21 8.649 -4.689 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.266 -5.847 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.010 -4.448 6.212 1.00 0.00 H new ATOM 0 HG LEU A 21 10.306 -6.048 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.689 -7.087 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.960 -7.472 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.701 -6.219 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.424 -5.050 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.529 -4.058 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.257 -3.832 8.244 1.00 0.00 H new ATOM 305 N ALA A 22 9.314 -2.385 9.651 1.00 0.00 N ATOM 306 CA ALA A 22 9.900 -1.111 9.995 1.00 0.00 C ATOM 307 C ALA A 22 11.411 -1.172 9.800 1.00 0.00 C ATOM 308 O ALA A 22 12.030 -2.201 10.074 1.00 0.00 O ATOM 309 CB ALA A 22 9.576 -0.784 11.446 1.00 0.00 C ATOM 0 H ALA A 22 9.129 -2.979 10.459 1.00 0.00 H new ATOM 0 HA ALA A 22 9.491 -0.333 9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.017 0.177 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.495 -0.735 11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.984 -1.560 12.094 1.00 0.00 H new ATOM 315 N ASP A 23 11.994 -0.044 9.411 1.00 0.00 N ATOM 316 CA ASP A 23 13.396 0.133 9.065 1.00 0.00 C ATOM 317 C ASP A 23 13.934 1.268 9.930 1.00 0.00 C ATOM 318 O ASP A 23 13.748 2.451 9.637 1.00 0.00 O ATOM 319 CB ASP A 23 13.537 0.428 7.565 1.00 0.00 C ATOM 320 CG ASP A 23 14.934 0.963 7.213 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.938 0.328 7.609 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.013 1.991 6.502 1.00 0.00 O ATOM 0 H ASP A 23 11.466 0.824 9.324 1.00 0.00 H new ATOM 0 HA ASP A 23 13.973 -0.772 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.343 -0.482 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.784 1.157 7.266 1.00 0.00 H new ATOM 327 N PHE A 24 14.514 0.885 11.064 1.00 0.00 N ATOM 328 CA PHE A 24 15.180 1.776 11.993 1.00 0.00 C ATOM 329 C PHE A 24 16.518 2.115 11.353 1.00 0.00 C ATOM 330 O PHE A 24 17.364 1.230 11.169 1.00 0.00 O ATOM 331 CB PHE A 24 15.326 1.101 13.368 1.00 0.00 C ATOM 332 CG PHE A 24 14.013 1.013 14.130 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.989 0.151 13.689 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.781 1.846 15.243 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.732 0.170 14.314 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.519 1.868 15.862 1.00 0.00 C ATOM 337 CZ PHE A 24 11.486 1.049 15.379 1.00 0.00 C ATOM 0 H PHE A 24 14.531 -0.089 11.366 1.00 0.00 H new ATOM 0 HA PHE A 24 14.614 2.689 12.178 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.729 0.097 13.233 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.049 1.657 13.965 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.172 -0.526 12.868 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.577 2.470 15.622 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.952 -0.495 13.974 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.344 2.515 16.709 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.504 1.096 15.826 1.00 0.00 H new ATOM 347 N TRP A 25 16.675 3.383 10.969 1.00 0.00 N ATOM 348 CA TRP A 25 17.804 3.874 10.192 1.00 0.00 C ATOM 349 C TRP A 25 18.057 5.339 10.567 1.00 0.00 C ATOM 350 O TRP A 25 17.407 5.854 11.473 1.00 0.00 O ATOM 351 CB TRP A 25 17.532 3.639 8.686 1.00 0.00 C ATOM 352 CG TRP A 25 17.336 4.837 7.801 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.232 5.317 6.907 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.232 5.792 7.796 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.719 6.445 6.299 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.521 6.823 6.857 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.038 5.911 8.528 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.674 7.922 6.660 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.186 7.019 8.355 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.506 8.025 7.429 1.00 0.00 C ATOM 0 H TRP A 25 16.000 4.113 11.198 1.00 0.00 H new ATOM 0 HA TRP A 25 18.721 3.330 10.419 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.365 3.062 8.284 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.642 3.015 8.603 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.200 4.884 6.701 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.173 6.938 5.530 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.769 5.140 9.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 15.917 8.678 5.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.280 7.095 8.938 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.853 8.877 7.309 1.00 0.00 H new ATOM 371 N ALA A 26 19.002 6.012 9.911 1.00 0.00 N ATOM 372 CA ALA A 26 19.174 7.457 9.964 1.00 0.00 C ATOM 373 C ALA A 26 19.830 7.855 8.639 1.00 0.00 C ATOM 374 O ALA A 26 20.632 7.069 8.129 1.00 0.00 O ATOM 375 CB ALA A 26 20.065 7.857 11.147 1.00 0.00 C ATOM 0 H ALA A 26 19.687 5.551 9.312 1.00 0.00 H new ATOM 0 HA ALA A 26 18.219 7.963 10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.179 8.941 11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.605 7.524 12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.044 7.391 11.039 1.00 0.00 H new ATOM 381 N PRO A 27 19.574 9.041 8.062 1.00 0.00 N ATOM 382 CA PRO A 27 20.240 9.459 6.831 1.00 0.00 C ATOM 383 C PRO A 27 21.768 9.527 6.924 1.00 0.00 C ATOM 384 O PRO A 27 22.438 9.512 5.891 1.00 0.00 O ATOM 385 CB PRO A 27 19.653 10.821 6.461 1.00 0.00 C ATOM 386 CG PRO A 27 18.326 10.872 7.218 1.00 0.00 C ATOM 387 CD PRO A 27 18.575 10.019 8.464 1.00 0.00 C ATOM 0 HA PRO A 27 20.058 8.706 6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.314 11.635 6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.502 10.911 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.057 11.895 7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.509 10.472 6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.932 10.629 9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.659 9.532 8.798 1.00 0.00 H new ATOM 395 N TRP A 28 22.337 9.579 8.129 1.00 0.00 N ATOM 396 CA TRP A 28 23.783 9.582 8.335 1.00 0.00 C ATOM 397 C TRP A 28 24.396 8.187 8.117 1.00 0.00 C ATOM 398 O TRP A 28 25.617 8.054 8.026 1.00 0.00 O ATOM 399 CB TRP A 28 24.114 10.123 9.735 1.00 0.00 C ATOM 400 CG TRP A 28 23.088 11.061 10.298 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.227 10.731 11.278 1.00 0.00 C ATOM 402 CD2 TRP A 28 22.698 12.401 9.863 1.00 0.00 C ATOM 403 NE1 TRP A 28 21.317 11.746 11.473 1.00 0.00 N ATOM 404 CE2 TRP A 28 21.561 12.808 10.626 1.00 0.00 C ATOM 405 CE3 TRP A 28 23.166 13.297 8.879 1.00 0.00 C ATOM 406 CZ2 TRP A 28 20.929 14.045 10.425 1.00 0.00 C ATOM 407 CZ3 TRP A 28 22.541 14.543 8.671 1.00 0.00 C ATOM 408 CH2 TRP A 28 21.426 14.918 9.443 1.00 0.00 C ATOM 0 H TRP A 28 21.801 9.621 8.996 1.00 0.00 H new ATOM 0 HA TRP A 28 24.229 10.241 7.590 1.00 0.00 H new ATOM 0 HB2 TRP A 28 24.232 9.281 10.417 1.00 0.00 H new ATOM 0 HB3 TRP A 28 25.074 10.637 9.694 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.247 9.804 11.832 1.00 0.00 H new ATOM 0 HE1 TRP A 28 20.560 11.717 12.156 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.018 13.023 8.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.070 14.323 11.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.920 15.214 7.914 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.953 15.875 9.281 1.00 0.00 H new ATOM 419 N CYS A 29 23.554 7.147 8.072 1.00 0.00 N ATOM 420 CA CYS A 29 23.941 5.754 7.936 1.00 0.00 C ATOM 421 C CYS A 29 24.621 5.500 6.584 1.00 0.00 C ATOM 422 O CYS A 29 24.302 6.161 5.590 1.00 0.00 O ATOM 423 CB CYS A 29 22.679 4.894 8.065 1.00 0.00 C ATOM 424 SG CYS A 29 22.938 3.113 8.225 1.00 0.00 S ATOM 0 H CYS A 29 22.543 7.268 8.133 1.00 0.00 H new ATOM 0 HA CYS A 29 24.658 5.496 8.715 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.118 5.238 8.934 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.053 5.072 7.191 1.00 0.00 H new ATOM 429 N GLY A 30 25.485 4.484 6.529 1.00 0.00 N ATOM 430 CA GLY A 30 26.089 3.988 5.296 1.00 0.00 C ATOM 431 C GLY A 30 25.416 2.687 4.855 1.00 0.00 C ATOM 432 O GLY A 30 24.725 2.701 3.838 1.00 0.00 O ATOM 0 H GLY A 30 25.789 3.974 7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 30 25.994 4.738 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.155 3.819 5.449 1.00 0.00 H new ATOM 436 N PRO A 31 25.521 1.577 5.615 1.00 0.00 N ATOM 437 CA PRO A 31 24.910 0.293 5.261 1.00 0.00 C ATOM 438 C PRO A 31 23.408 0.362 4.960 1.00 0.00 C ATOM 439 O PRO A 31 22.921 -0.372 4.101 1.00 0.00 O ATOM 440 CB PRO A 31 25.211 -0.641 6.437 1.00 0.00 C ATOM 441 CG PRO A 31 26.518 -0.086 6.996 1.00 0.00 C ATOM 442 CD PRO A 31 26.363 1.420 6.795 1.00 0.00 C ATOM 0 HA PRO A 31 25.332 -0.066 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.414 -0.622 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.319 -1.676 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.649 -0.342 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.384 -0.478 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.905 1.886 7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.332 1.897 6.651 1.00 0.00 H new ATOM 450 N CYS A 32 22.667 1.270 5.606 1.00 0.00 N ATOM 451 CA CYS A 32 21.241 1.469 5.350 1.00 0.00 C ATOM 452 C CYS A 32 20.969 1.837 3.883 1.00 0.00 C ATOM 453 O CYS A 32 19.943 1.458 3.318 1.00 0.00 O ATOM 454 CB CYS A 32 20.687 2.571 6.260 1.00 0.00 C ATOM 455 SG CYS A 32 21.041 2.417 8.037 1.00 0.00 S ATOM 0 H CYS A 32 23.044 1.889 6.324 1.00 0.00 H new ATOM 0 HA CYS A 32 20.740 0.525 5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.082 3.527 5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.605 2.608 6.130 1.00 0.00 H new ATOM 460 N LYS A 33 21.893 2.553 3.236 1.00 0.00 N ATOM 461 CA LYS A 33 21.758 2.949 1.840 1.00 0.00 C ATOM 462 C LYS A 33 21.846 1.731 0.916 1.00 0.00 C ATOM 463 O LYS A 33 21.310 1.783 -0.189 1.00 0.00 O ATOM 464 CB LYS A 33 22.825 3.999 1.471 1.00 0.00 C ATOM 465 CG LYS A 33 22.928 5.194 2.441 1.00 0.00 C ATOM 466 CD LYS A 33 21.691 6.110 2.466 1.00 0.00 C ATOM 467 CE LYS A 33 21.711 7.118 3.632 1.00 0.00 C ATOM 468 NZ LYS A 33 22.992 7.858 3.741 1.00 0.00 N ATOM 0 H LYS A 33 22.758 2.873 3.672 1.00 0.00 H new ATOM 0 HA LYS A 33 20.775 3.400 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.796 3.506 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.609 4.379 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.102 4.814 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.799 5.790 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.630 6.654 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.793 5.497 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.897 7.831 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.524 6.588 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.860 8.692 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.717 7.238 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.298 8.163 2.795 1.00 0.00 H new ATOM 482 N MET A 34 22.483 0.636 1.351 1.00 0.00 N ATOM 483 CA MET A 34 22.562 -0.598 0.581 1.00 0.00 C ATOM 484 C MET A 34 21.206 -1.298 0.546 1.00 0.00 C ATOM 485 O MET A 34 20.819 -1.823 -0.496 1.00 0.00 O ATOM 486 CB MET A 34 23.608 -1.564 1.162 1.00 0.00 C ATOM 487 CG MET A 34 24.997 -0.945 1.357 1.00 0.00 C ATOM 488 SD MET A 34 26.296 -2.110 1.872 1.00 0.00 S ATOM 489 CE MET A 34 25.473 -3.009 3.220 1.00 0.00 C ATOM 0 H MET A 34 22.958 0.588 2.252 1.00 0.00 H new ATOM 0 HA MET A 34 22.862 -0.324 -0.430 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.250 -1.934 2.123 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.697 -2.426 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.302 -0.474 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 34 24.924 -0.154 2.103 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.223 -3.500 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 34 24.900 -2.309 3.828 1.00 0.00 H new ATOM 0 HE3 MET A 34 24.802 -3.759 2.801 1.00 0.00 H new ATOM 499 N ILE A 35 20.481 -1.322 1.672 1.00 0.00 N ATOM 500 CA ILE A 35 19.200 -2.017 1.775 1.00 0.00 C ATOM 501 C ILE A 35 18.045 -1.153 1.243 1.00 0.00 C ATOM 502 O ILE A 35 17.028 -1.706 0.840 1.00 0.00 O ATOM 503 CB ILE A 35 18.983 -2.584 3.201 1.00 0.00 C ATOM 504 CG1 ILE A 35 17.795 -3.572 3.246 1.00 0.00 C ATOM 505 CG2 ILE A 35 18.847 -1.468 4.245 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.668 -4.340 4.566 1.00 0.00 C ATOM 0 H ILE A 35 20.769 -0.859 2.534 1.00 0.00 H new ATOM 0 HA ILE A 35 19.219 -2.889 1.121 1.00 0.00 H new ATOM 0 HB ILE A 35 19.877 -3.150 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 35 16.871 -3.021 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 35 17.901 -4.288 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.696 -1.908 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.754 -0.864 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 35 17.994 -0.838 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.811 -5.011 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.574 -4.921 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.529 -3.635 5.385 1.00 0.00 H new ATOM 518 N ALA A 36 18.180 0.177 1.167 1.00 0.00 N ATOM 519 CA ALA A 36 17.143 1.054 0.615 1.00 0.00 C ATOM 520 C ALA A 36 16.606 0.603 -0.767 1.00 0.00 C ATOM 521 O ALA A 36 15.389 0.448 -0.898 1.00 0.00 O ATOM 522 CB ALA A 36 17.637 2.507 0.605 1.00 0.00 C ATOM 0 H ALA A 36 19.011 0.674 1.487 1.00 0.00 H new ATOM 0 HA ALA A 36 16.279 0.981 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.861 3.152 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.867 2.820 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.534 2.582 -0.009 1.00 0.00 H new ATOM 528 N PRO A 37 17.438 0.311 -1.791 1.00 0.00 N ATOM 529 CA PRO A 37 16.927 -0.199 -3.060 1.00 0.00 C ATOM 530 C PRO A 37 16.311 -1.597 -2.924 1.00 0.00 C ATOM 531 O PRO A 37 15.413 -1.939 -3.689 1.00 0.00 O ATOM 532 CB PRO A 37 18.107 -0.177 -4.038 1.00 0.00 C ATOM 533 CG PRO A 37 19.330 -0.236 -3.125 1.00 0.00 C ATOM 534 CD PRO A 37 18.871 0.540 -1.892 1.00 0.00 C ATOM 0 HA PRO A 37 16.110 0.424 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.076 -1.025 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.105 0.726 -4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.601 -1.263 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.203 0.222 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.387 0.192 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.091 1.603 -1.994 1.00 0.00 H new ATOM 542 N VAL A 38 16.737 -2.397 -1.945 1.00 0.00 N ATOM 543 CA VAL A 38 16.122 -3.683 -1.650 1.00 0.00 C ATOM 544 C VAL A 38 14.705 -3.450 -1.102 1.00 0.00 C ATOM 545 O VAL A 38 13.784 -4.155 -1.503 1.00 0.00 O ATOM 546 CB VAL A 38 17.005 -4.516 -0.691 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.553 -5.977 -0.647 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.487 -4.526 -1.105 1.00 0.00 C ATOM 0 H VAL A 38 17.521 -2.166 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 38 16.038 -4.270 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 38 16.895 -4.037 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.193 -6.536 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.521 -6.028 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.622 -6.409 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.059 -5.125 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.583 -4.954 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 18.870 -3.506 -1.109 1.00 0.00 H new ATOM 558 N LEU A 39 14.486 -2.440 -0.250 1.00 0.00 N ATOM 559 CA LEU A 39 13.155 -2.043 0.194 1.00 0.00 C ATOM 560 C LEU A 39 12.314 -1.524 -0.973 1.00 0.00 C ATOM 561 O LEU A 39 11.112 -1.773 -0.994 1.00 0.00 O ATOM 562 CB LEU A 39 13.215 -1.000 1.326 1.00 0.00 C ATOM 563 CG LEU A 39 13.898 -1.489 2.619 1.00 0.00 C ATOM 564 CD1 LEU A 39 13.903 -0.368 3.667 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.232 -2.747 3.198 1.00 0.00 C ATOM 0 H LEU A 39 15.236 -1.876 0.150 1.00 0.00 H new ATOM 0 HA LEU A 39 12.673 -2.936 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.745 -0.120 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.199 -0.685 1.565 1.00 0.00 H new ATOM 0 HG LEU A 39 14.922 -1.758 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.387 -0.723 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.448 0.492 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.877 -0.076 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.752 -3.048 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.189 -2.532 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.282 -3.554 2.467 1.00 0.00 H new ATOM 577 N GLU A 40 12.905 -0.848 -1.964 1.00 0.00 N ATOM 578 CA GLU A 40 12.174 -0.495 -3.182 1.00 0.00 C ATOM 579 C GLU A 40 11.794 -1.746 -3.990 1.00 0.00 C ATOM 580 O GLU A 40 10.698 -1.832 -4.551 1.00 0.00 O ATOM 581 CB GLU A 40 12.955 0.511 -4.041 1.00 0.00 C ATOM 582 CG GLU A 40 13.055 1.888 -3.368 1.00 0.00 C ATOM 583 CD GLU A 40 13.771 2.906 -4.274 1.00 0.00 C ATOM 584 OE1 GLU A 40 13.111 3.525 -5.141 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.994 3.116 -4.119 1.00 0.00 O ATOM 0 H GLU A 40 13.877 -0.538 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 40 11.249 -0.008 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.957 0.126 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.467 0.616 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.055 2.251 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.594 1.795 -2.425 1.00 0.00 H new ATOM 592 N GLU A 41 12.662 -2.752 -4.055 1.00 0.00 N ATOM 593 CA GLU A 41 12.304 -4.028 -4.659 1.00 0.00 C ATOM 594 C GLU A 41 11.184 -4.694 -3.857 1.00 0.00 C ATOM 595 O GLU A 41 10.276 -5.269 -4.450 1.00 0.00 O ATOM 596 CB GLU A 41 13.530 -4.934 -4.836 1.00 0.00 C ATOM 597 CG GLU A 41 14.419 -4.427 -5.983 1.00 0.00 C ATOM 598 CD GLU A 41 15.613 -5.356 -6.249 1.00 0.00 C ATOM 599 OE1 GLU A 41 16.658 -5.231 -5.570 1.00 0.00 O ATOM 600 OE2 GLU A 41 15.517 -6.212 -7.159 1.00 0.00 O ATOM 0 H GLU A 41 13.616 -2.707 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 41 11.923 -3.846 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.104 -4.963 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.208 -5.954 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.822 -4.338 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.785 -3.429 -5.742 1.00 0.00 H new ATOM 607 N LEU A 42 11.177 -4.560 -2.530 1.00 0.00 N ATOM 608 CA LEU A 42 10.088 -5.043 -1.691 1.00 0.00 C ATOM 609 C LEU A 42 8.791 -4.276 -1.936 1.00 0.00 C ATOM 610 O LEU A 42 7.741 -4.912 -1.947 1.00 0.00 O ATOM 611 CB LEU A 42 10.450 -5.035 -0.199 1.00 0.00 C ATOM 612 CG LEU A 42 11.451 -6.106 0.255 1.00 0.00 C ATOM 613 CD1 LEU A 42 11.453 -6.098 1.785 1.00 0.00 C ATOM 614 CD2 LEU A 42 11.134 -7.526 -0.246 1.00 0.00 C ATOM 0 H LEU A 42 11.930 -4.112 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 42 9.923 -6.080 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.858 -4.055 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.533 -5.155 0.378 1.00 0.00 H new ATOM 0 HG LEU A 42 12.422 -5.857 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.154 -6.848 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.754 -5.114 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.452 -6.327 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.891 -8.219 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.154 -7.831 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.132 -7.535 -1.336 1.00 0.00 H new ATOM 626 N ASP A 43 8.814 -2.962 -2.180 1.00 0.00 N ATOM 627 CA ASP A 43 7.629 -2.243 -2.664 1.00 0.00 C ATOM 628 C ASP A 43 7.097 -2.920 -3.923 1.00 0.00 C ATOM 629 O ASP A 43 5.903 -3.209 -4.028 1.00 0.00 O ATOM 630 CB ASP A 43 7.933 -0.772 -2.982 1.00 0.00 C ATOM 631 CG ASP A 43 6.786 -0.115 -3.769 1.00 0.00 C ATOM 632 OD1 ASP A 43 5.767 0.245 -3.147 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.918 0.073 -4.999 1.00 0.00 O ATOM 0 H ASP A 43 9.638 -2.375 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 43 6.885 -2.271 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.098 -0.225 -2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.855 -0.707 -3.559 1.00 0.00 H new ATOM 638 N GLN A 44 8.004 -3.220 -4.853 1.00 0.00 N ATOM 639 CA GLN A 44 7.652 -3.762 -6.158 1.00 0.00 C ATOM 640 C GLN A 44 7.232 -5.246 -6.109 1.00 0.00 C ATOM 641 O GLN A 44 6.651 -5.736 -7.080 1.00 0.00 O ATOM 642 CB GLN A 44 8.819 -3.516 -7.126 1.00 0.00 C ATOM 643 CG GLN A 44 9.021 -2.011 -7.383 1.00 0.00 C ATOM 644 CD GLN A 44 10.343 -1.746 -8.097 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.427 -1.733 -9.323 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.407 -1.542 -7.338 1.00 0.00 N ATOM 0 H GLN A 44 9.007 -3.092 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 44 6.766 -3.240 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.733 -3.943 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.626 -4.026 -8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.197 -1.628 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.002 -1.472 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.319 -1.556 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.315 -1.370 -7.769 1.00 0.00 H new ATOM 655 N GLU A 45 7.483 -5.959 -5.004 1.00 0.00 N ATOM 656 CA GLU A 45 7.324 -7.413 -4.902 1.00 0.00 C ATOM 657 C GLU A 45 6.334 -7.831 -3.815 1.00 0.00 C ATOM 658 O GLU A 45 5.739 -8.906 -3.915 1.00 0.00 O ATOM 659 CB GLU A 45 8.702 -8.055 -4.668 1.00 0.00 C ATOM 660 CG GLU A 45 9.508 -8.002 -5.984 1.00 0.00 C ATOM 661 CD GLU A 45 10.925 -8.595 -5.923 1.00 0.00 C ATOM 662 OE1 GLU A 45 11.185 -9.547 -5.154 1.00 0.00 O ATOM 663 OE2 GLU A 45 11.781 -8.149 -6.722 1.00 0.00 O ATOM 0 H GLU A 45 7.809 -5.531 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 45 6.902 -7.769 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.235 -7.526 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.586 -9.087 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.946 -8.530 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.583 -6.962 -6.301 1.00 0.00 H new ATOM 670 N MET A 46 6.123 -6.986 -2.807 1.00 0.00 N ATOM 671 CA MET A 46 5.277 -7.280 -1.651 1.00 0.00 C ATOM 672 C MET A 46 4.288 -6.167 -1.311 1.00 0.00 C ATOM 673 O MET A 46 3.465 -6.378 -0.424 1.00 0.00 O ATOM 674 CB MET A 46 6.133 -7.554 -0.407 1.00 0.00 C ATOM 675 CG MET A 46 7.211 -8.614 -0.610 1.00 0.00 C ATOM 676 SD MET A 46 7.618 -9.476 0.929 1.00 0.00 S ATOM 677 CE MET A 46 6.345 -10.765 0.842 1.00 0.00 C ATOM 0 H MET A 46 6.544 -6.058 -2.770 1.00 0.00 H new ATOM 0 HA MET A 46 4.703 -8.162 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.608 -6.624 -0.095 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.480 -7.867 0.408 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.872 -9.338 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.110 -8.144 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.425 -11.415 1.714 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.359 -10.302 0.824 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.486 -11.355 -0.064 1.00 0.00 H new ATOM 687 N GLY A 47 4.317 -5.007 -1.976 1.00 0.00 N ATOM 688 CA GLY A 47 3.508 -3.841 -1.606 1.00 0.00 C ATOM 689 C GLY A 47 1.988 -4.072 -1.588 1.00 0.00 C ATOM 690 O GLY A 47 1.243 -3.236 -1.077 1.00 0.00 O ATOM 0 H GLY A 47 4.907 -4.850 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.819 -3.503 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.727 -3.032 -2.303 1.00 0.00 H new ATOM 694 N ASP A 48 1.520 -5.195 -2.135 1.00 0.00 N ATOM 695 CA ASP A 48 0.125 -5.627 -2.114 1.00 0.00 C ATOM 696 C ASP A 48 -0.298 -6.161 -0.735 1.00 0.00 C ATOM 697 O ASP A 48 -1.476 -6.095 -0.379 1.00 0.00 O ATOM 698 CB ASP A 48 -0.078 -6.711 -3.178 1.00 0.00 C ATOM 699 CG ASP A 48 -1.533 -7.195 -3.214 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.399 -6.489 -3.778 1.00 0.00 O ATOM 701 OD2 ASP A 48 -1.809 -8.299 -2.695 1.00 0.00 O ATOM 0 H ASP A 48 2.127 -5.853 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.500 -4.760 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.201 -6.319 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.582 -7.553 -2.972 1.00 0.00 H new ATOM 706 N LYS A 49 0.657 -6.666 0.056 1.00 0.00 N ATOM 707 CA LYS A 49 0.442 -7.266 1.376 1.00 0.00 C ATOM 708 C LYS A 49 1.271 -6.579 2.464 1.00 0.00 C ATOM 709 O LYS A 49 0.952 -6.743 3.642 1.00 0.00 O ATOM 710 CB LYS A 49 0.836 -8.755 1.329 1.00 0.00 C ATOM 711 CG LYS A 49 0.035 -9.640 0.357 1.00 0.00 C ATOM 712 CD LYS A 49 -1.301 -10.165 0.919 1.00 0.00 C ATOM 713 CE LYS A 49 -2.466 -9.163 0.926 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.125 -9.034 -0.396 1.00 0.00 N ATOM 0 H LYS A 49 1.639 -6.667 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.613 -7.145 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.891 -8.822 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.733 -9.168 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.166 -9.070 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.652 -10.491 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.600 -11.037 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.134 -10.506 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.204 -9.476 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.097 -8.186 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.973 -8.439 -0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.466 -8.597 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.399 -9.976 -0.741 1.00 0.00 H new ATOM 728 N LEU A 50 2.314 -5.829 2.101 1.00 0.00 N ATOM 729 CA LEU A 50 3.305 -5.304 3.028 1.00 0.00 C ATOM 730 C LEU A 50 3.300 -3.778 3.010 1.00 0.00 C ATOM 731 O LEU A 50 3.042 -3.157 1.979 1.00 0.00 O ATOM 732 CB LEU A 50 4.686 -5.845 2.606 1.00 0.00 C ATOM 733 CG LEU A 50 5.865 -5.459 3.520 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.680 -6.016 4.934 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.167 -5.985 2.915 1.00 0.00 C ATOM 0 H LEU A 50 2.492 -5.567 1.131 1.00 0.00 H new ATOM 0 HA LEU A 50 3.072 -5.622 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.630 -6.932 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.901 -5.491 1.598 1.00 0.00 H new ATOM 0 HG LEU A 50 5.904 -4.372 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.529 -5.726 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.762 -5.616 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.617 -7.103 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.003 -5.714 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.115 -7.070 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.313 -5.547 1.928 1.00 0.00 H new ATOM 747 N LYS A 51 3.659 -3.188 4.149 1.00 0.00 N ATOM 748 CA LYS A 51 3.974 -1.774 4.314 1.00 0.00 C ATOM 749 C LYS A 51 5.378 -1.754 4.911 1.00 0.00 C ATOM 750 O LYS A 51 5.715 -2.634 5.707 1.00 0.00 O ATOM 751 CB LYS A 51 2.935 -1.103 5.228 1.00 0.00 C ATOM 752 CG LYS A 51 3.194 0.405 5.419 1.00 0.00 C ATOM 753 CD LYS A 51 2.393 1.013 6.576 1.00 0.00 C ATOM 754 CE LYS A 51 0.886 1.023 6.306 1.00 0.00 C ATOM 755 NZ LYS A 51 0.167 1.706 7.399 1.00 0.00 N ATOM 0 H LYS A 51 3.741 -3.709 5.022 1.00 0.00 H new ATOM 0 HA LYS A 51 3.943 -1.216 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.940 -1.246 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.942 -1.595 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.257 0.565 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.944 0.930 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.592 0.448 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.734 2.033 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.684 1.526 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.522 0.000 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.858 1.586 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.451 1.295 8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.401 2.719 7.388 1.00 0.00 H new ATOM 769 N ILE A 52 6.190 -0.771 4.546 1.00 0.00 N ATOM 770 CA ILE A 52 7.568 -0.640 4.985 1.00 0.00 C ATOM 771 C ILE A 52 7.614 0.714 5.694 1.00 0.00 C ATOM 772 O ILE A 52 7.135 1.698 5.136 1.00 0.00 O ATOM 773 CB ILE A 52 8.512 -0.761 3.762 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.364 -2.138 3.063 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.972 -0.509 4.175 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.097 -2.254 1.720 1.00 0.00 C ATOM 0 H ILE A 52 5.897 -0.022 3.918 1.00 0.00 H new ATOM 0 HA ILE A 52 7.905 -1.420 5.668 1.00 0.00 H new ATOM 0 HB ILE A 52 8.222 0.004 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.736 -2.913 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.304 -2.337 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.618 -0.599 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.064 0.494 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.270 -1.243 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.939 -3.249 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.710 -1.505 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.164 -2.090 1.872 1.00 0.00 H new ATOM 788 N VAL A 53 8.141 0.791 6.918 1.00 0.00 N ATOM 789 CA VAL A 53 8.028 2.011 7.733 1.00 0.00 C ATOM 790 C VAL A 53 9.418 2.448 8.187 1.00 0.00 C ATOM 791 O VAL A 53 9.970 1.921 9.151 1.00 0.00 O ATOM 792 CB VAL A 53 7.018 1.799 8.885 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.928 3.013 9.820 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.604 1.556 8.331 1.00 0.00 C ATOM 0 H VAL A 53 8.648 0.029 7.368 1.00 0.00 H new ATOM 0 HA VAL A 53 7.623 2.833 7.142 1.00 0.00 H new ATOM 0 HB VAL A 53 7.383 0.935 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.205 2.811 10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.905 3.205 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.609 3.887 9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.909 1.409 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.291 2.418 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.608 0.668 7.699 1.00 0.00 H new ATOM 804 N LYS A 54 10.007 3.413 7.483 1.00 0.00 N ATOM 805 CA LYS A 54 11.298 3.974 7.858 1.00 0.00 C ATOM 806 C LYS A 54 11.099 4.864 9.083 1.00 0.00 C ATOM 807 O LYS A 54 10.144 5.648 9.116 1.00 0.00 O ATOM 808 CB LYS A 54 11.883 4.774 6.684 1.00 0.00 C ATOM 809 CG LYS A 54 12.061 3.906 5.423 1.00 0.00 C ATOM 810 CD LYS A 54 12.734 4.653 4.263 1.00 0.00 C ATOM 811 CE LYS A 54 14.136 5.195 4.585 1.00 0.00 C ATOM 812 NZ LYS A 54 15.152 4.130 4.800 1.00 0.00 N ATOM 0 H LYS A 54 9.603 3.824 6.641 1.00 0.00 H new ATOM 0 HA LYS A 54 12.002 3.178 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.227 5.614 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.847 5.192 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.656 3.028 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.085 3.546 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.805 3.982 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.096 5.485 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.464 5.839 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.079 5.817 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.030 4.555 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.792 3.441 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.345 3.648 3.899 1.00 0.00 H new ATOM 826 N ILE A 55 12.002 4.787 10.059 1.00 0.00 N ATOM 827 CA ILE A 55 11.979 5.625 11.253 1.00 0.00 C ATOM 828 C ILE A 55 13.421 6.013 11.613 1.00 0.00 C ATOM 829 O ILE A 55 14.317 5.162 11.702 1.00 0.00 O ATOM 830 CB ILE A 55 11.161 4.945 12.381 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.123 5.845 13.636 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.630 3.519 12.724 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.020 5.459 14.628 1.00 0.00 C ATOM 0 H ILE A 55 12.782 4.130 10.041 1.00 0.00 H new ATOM 0 HA ILE A 55 11.452 6.563 11.076 1.00 0.00 H new ATOM 0 HB ILE A 55 10.149 4.826 11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.088 5.795 14.140 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.978 6.880 13.327 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.008 3.113 13.522 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.546 2.886 11.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.669 3.547 13.053 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.050 6.131 15.485 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.048 5.537 14.140 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.176 4.434 14.965 1.00 0.00 H new ATOM 845 N ASP A 56 13.639 7.328 11.730 1.00 0.00 N ATOM 846 CA ASP A 56 14.953 7.938 11.914 1.00 0.00 C ATOM 847 C ASP A 56 15.316 7.895 13.394 1.00 0.00 C ATOM 848 O ASP A 56 14.758 8.658 14.186 1.00 0.00 O ATOM 849 CB ASP A 56 14.965 9.383 11.398 1.00 0.00 C ATOM 850 CG ASP A 56 16.321 10.092 11.601 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.284 9.481 12.114 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.416 11.277 11.207 1.00 0.00 O ATOM 0 H ASP A 56 12.883 8.012 11.698 1.00 0.00 H new ATOM 0 HA ASP A 56 15.691 7.378 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.717 9.385 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.186 9.950 11.908 1.00 0.00 H new ATOM 857 N VAL A 57 16.209 6.990 13.790 1.00 0.00 N ATOM 858 CA VAL A 57 16.552 6.774 15.190 1.00 0.00 C ATOM 859 C VAL A 57 17.092 8.044 15.849 1.00 0.00 C ATOM 860 O VAL A 57 16.911 8.207 17.056 1.00 0.00 O ATOM 861 CB VAL A 57 17.513 5.577 15.357 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.876 4.295 14.802 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.892 5.772 14.709 1.00 0.00 C ATOM 0 H VAL A 57 16.716 6.385 13.144 1.00 0.00 H new ATOM 0 HA VAL A 57 15.631 6.521 15.715 1.00 0.00 H new ATOM 0 HB VAL A 57 17.681 5.496 16.431 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.567 3.461 14.928 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.952 4.085 15.341 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.656 4.427 13.743 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.501 4.883 14.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.771 5.934 13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.384 6.637 15.153 1.00 0.00 H new ATOM 873 N ASP A 58 17.701 8.967 15.094 1.00 0.00 N ATOM 874 CA ASP A 58 18.310 10.177 15.654 1.00 0.00 C ATOM 875 C ASP A 58 17.267 11.115 16.278 1.00 0.00 C ATOM 876 O ASP A 58 17.609 11.957 17.107 1.00 0.00 O ATOM 877 CB ASP A 58 19.115 10.917 14.582 1.00 0.00 C ATOM 878 CG ASP A 58 19.877 12.116 15.173 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.793 11.907 16.000 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.604 13.268 14.770 1.00 0.00 O ATOM 0 H ASP A 58 17.785 8.895 14.080 1.00 0.00 H new ATOM 0 HA ASP A 58 18.982 9.860 16.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.822 10.229 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.444 11.263 13.796 1.00 0.00 H new ATOM 885 N GLU A 59 15.987 10.934 15.932 1.00 0.00 N ATOM 886 CA GLU A 59 14.863 11.704 16.458 1.00 0.00 C ATOM 887 C GLU A 59 13.844 10.792 17.161 1.00 0.00 C ATOM 888 O GLU A 59 12.797 11.265 17.605 1.00 0.00 O ATOM 889 CB GLU A 59 14.200 12.491 15.314 1.00 0.00 C ATOM 890 CG GLU A 59 15.132 13.537 14.685 1.00 0.00 C ATOM 891 CD GLU A 59 14.361 14.500 13.763 1.00 0.00 C ATOM 892 OE1 GLU A 59 14.004 14.122 12.624 1.00 0.00 O ATOM 893 OE2 GLU A 59 14.113 15.661 14.164 1.00 0.00 O ATOM 0 H GLU A 59 15.700 10.225 15.257 1.00 0.00 H new ATOM 0 HA GLU A 59 15.237 12.406 17.203 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.873 11.794 14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.307 12.989 15.693 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.627 14.105 15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.913 13.034 14.115 1.00 0.00 H new ATOM 900 N ASN A 60 14.128 9.487 17.266 1.00 0.00 N ATOM 901 CA ASN A 60 13.176 8.464 17.715 1.00 0.00 C ATOM 902 C ASN A 60 13.880 7.471 18.638 1.00 0.00 C ATOM 903 O ASN A 60 13.656 6.260 18.573 1.00 0.00 O ATOM 904 CB ASN A 60 12.491 7.786 16.517 1.00 0.00 C ATOM 905 CG ASN A 60 11.621 8.769 15.747 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.527 9.119 16.172 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.083 9.254 14.608 1.00 0.00 N ATOM 0 H ASN A 60 15.046 9.106 17.036 1.00 0.00 H new ATOM 0 HA ASN A 60 12.380 8.936 18.291 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.247 7.368 15.852 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.880 6.954 16.868 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.528 9.924 14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.995 8.958 14.260 1.00 0.00 H new ATOM 914 N GLN A 61 14.755 7.997 19.503 1.00 0.00 N ATOM 915 CA GLN A 61 15.478 7.225 20.506 1.00 0.00 C ATOM 916 C GLN A 61 14.516 6.440 21.402 1.00 0.00 C ATOM 917 O GLN A 61 14.861 5.346 21.841 1.00 0.00 O ATOM 918 CB GLN A 61 16.350 8.161 21.361 1.00 0.00 C ATOM 919 CG GLN A 61 17.533 8.765 20.589 1.00 0.00 C ATOM 920 CD GLN A 61 18.600 7.719 20.261 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.397 7.327 21.111 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.636 7.237 19.030 1.00 0.00 N ATOM 0 H GLN A 61 14.981 8.992 19.521 1.00 0.00 H new ATOM 0 HA GLN A 61 16.116 6.509 19.988 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.730 8.968 21.751 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.730 7.608 22.220 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.170 9.215 19.665 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.980 9.565 21.179 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.970 7.569 18.333 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.330 6.533 18.778 1.00 0.00 H new ATOM 931 N GLU A 62 13.314 6.964 21.660 1.00 0.00 N ATOM 932 CA GLU A 62 12.328 6.296 22.500 1.00 0.00 C ATOM 933 C GLU A 62 11.844 5.008 21.831 1.00 0.00 C ATOM 934 O GLU A 62 11.851 3.954 22.464 1.00 0.00 O ATOM 935 CB GLU A 62 11.146 7.236 22.792 1.00 0.00 C ATOM 936 CG GLU A 62 11.530 8.485 23.603 1.00 0.00 C ATOM 937 CD GLU A 62 12.085 8.142 24.999 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.296 7.774 25.900 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.310 8.261 25.219 1.00 0.00 O ATOM 0 H GLU A 62 13.002 7.862 21.291 1.00 0.00 H new ATOM 0 HA GLU A 62 12.798 6.034 23.448 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.702 7.550 21.847 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.380 6.683 23.336 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.276 9.056 23.051 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.655 9.125 23.712 1.00 0.00 H new ATOM 946 N THR A 63 11.471 5.059 20.550 1.00 0.00 N ATOM 947 CA THR A 63 10.968 3.898 19.827 1.00 0.00 C ATOM 948 C THR A 63 12.100 2.881 19.638 1.00 0.00 C ATOM 949 O THR A 63 11.889 1.686 19.792 1.00 0.00 O ATOM 950 CB THR A 63 10.401 4.332 18.467 1.00 0.00 C ATOM 951 OG1 THR A 63 9.960 5.676 18.475 1.00 0.00 O ATOM 952 CG2 THR A 63 9.263 3.441 17.964 1.00 0.00 C ATOM 0 H THR A 63 11.511 5.909 19.988 1.00 0.00 H new ATOM 0 HA THR A 63 10.168 3.432 20.401 1.00 0.00 H new ATOM 0 HB THR A 63 11.240 4.228 17.779 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.345 5.814 19.226 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.913 3.808 16.999 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.623 2.418 17.854 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.441 3.461 18.680 1.00 0.00 H new ATOM 960 N ALA A 64 13.322 3.339 19.350 1.00 0.00 N ATOM 961 CA ALA A 64 14.495 2.477 19.287 1.00 0.00 C ATOM 962 C ALA A 64 14.711 1.772 20.632 1.00 0.00 C ATOM 963 O ALA A 64 14.835 0.546 20.679 1.00 0.00 O ATOM 964 CB ALA A 64 15.711 3.321 18.878 1.00 0.00 C ATOM 0 H ALA A 64 13.521 4.320 19.154 1.00 0.00 H new ATOM 0 HA ALA A 64 14.349 1.697 18.539 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.595 2.685 18.828 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.531 3.769 17.901 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.872 4.108 19.614 1.00 0.00 H new ATOM 970 N GLY A 65 14.678 2.526 21.732 1.00 0.00 N ATOM 971 CA GLY A 65 14.816 2.001 23.083 1.00 0.00 C ATOM 972 C GLY A 65 13.706 1.011 23.434 1.00 0.00 C ATOM 973 O GLY A 65 13.947 0.075 24.197 1.00 0.00 O ATOM 0 H GLY A 65 14.552 3.538 21.704 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.784 1.509 23.183 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.803 2.826 23.795 1.00 0.00 H new ATOM 977 N LYS A 66 12.518 1.158 22.835 1.00 0.00 N ATOM 978 CA LYS A 66 11.362 0.291 23.045 1.00 0.00 C ATOM 979 C LYS A 66 11.695 -1.175 22.758 1.00 0.00 C ATOM 980 O LYS A 66 11.120 -2.054 23.403 1.00 0.00 O ATOM 981 CB LYS A 66 10.191 0.786 22.179 1.00 0.00 C ATOM 982 CG LYS A 66 8.839 0.287 22.708 1.00 0.00 C ATOM 983 CD LYS A 66 7.692 1.041 22.024 1.00 0.00 C ATOM 984 CE LYS A 66 6.308 0.483 22.392 1.00 0.00 C ATOM 985 NZ LYS A 66 5.946 0.709 23.815 1.00 0.00 N ATOM 0 H LYS A 66 12.333 1.909 22.170 1.00 0.00 H new ATOM 0 HA LYS A 66 11.071 0.341 24.094 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.192 1.876 22.155 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.328 0.445 21.153 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.741 -0.783 22.525 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.787 0.432 23.787 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.739 2.094 22.301 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.823 0.990 20.943 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.555 0.946 21.754 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.288 -0.587 22.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.003 0.311 24.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.645 0.245 24.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.936 1.730 24.013 1.00 0.00 H new ATOM 999 N TYR A 67 12.644 -1.439 21.853 1.00 0.00 N ATOM 1000 CA TYR A 67 13.069 -2.796 21.491 1.00 0.00 C ATOM 1001 C TYR A 67 14.576 -2.998 21.711 1.00 0.00 C ATOM 1002 O TYR A 67 15.133 -4.004 21.268 1.00 0.00 O ATOM 1003 CB TYR A 67 12.661 -3.110 20.042 1.00 0.00 C ATOM 1004 CG TYR A 67 11.394 -2.421 19.575 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.135 -2.823 20.060 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.499 -1.295 18.740 1.00 0.00 C ATOM 1007 CE1 TYR A 67 8.980 -2.104 19.703 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.355 -0.566 18.395 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.085 -0.968 18.866 1.00 0.00 C ATOM 1010 OH TYR A 67 7.980 -0.244 18.533 1.00 0.00 O ATOM 0 H TYR A 67 13.144 -0.709 21.346 1.00 0.00 H new ATOM 0 HA TYR A 67 12.560 -3.499 22.150 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.478 -2.825 19.379 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.530 -4.187 19.942 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.056 -3.684 20.707 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.465 -0.992 18.364 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.013 -2.419 20.068 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.443 0.308 17.766 1.00 0.00 H new ATOM 0 HH TYR A 67 8.079 0.105 17.623 1.00 0.00 H new ATOM 1020 N GLY A 68 15.249 -2.051 22.376 1.00 0.00 N ATOM 1021 CA GLY A 68 16.688 -2.091 22.605 1.00 0.00 C ATOM 1022 C GLY A 68 17.501 -1.994 21.309 1.00 0.00 C ATOM 1023 O GLY A 68 18.604 -2.539 21.245 1.00 0.00 O ATOM 0 H GLY A 68 14.798 -1.227 22.773 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.969 -1.271 23.266 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.943 -3.017 23.120 1.00 0.00 H new ATOM 1027 N VAL A 69 16.970 -1.338 20.270 1.00 0.00 N ATOM 1028 CA VAL A 69 17.715 -1.032 19.052 1.00 0.00 C ATOM 1029 C VAL A 69 18.878 -0.115 19.459 1.00 0.00 C ATOM 1030 O VAL A 69 18.663 0.922 20.090 1.00 0.00 O ATOM 1031 CB VAL A 69 16.787 -0.391 17.994 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.538 -0.089 16.690 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.569 -1.275 17.675 1.00 0.00 C ATOM 0 H VAL A 69 16.006 -1.005 20.255 1.00 0.00 H new ATOM 0 HA VAL A 69 18.112 -1.934 18.585 1.00 0.00 H new ATOM 0 HB VAL A 69 16.436 0.543 18.433 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.853 0.361 15.971 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.356 0.602 16.893 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.939 -1.015 16.278 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.948 -0.782 16.927 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.908 -2.236 17.289 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.987 -1.434 18.583 1.00 0.00 H new ATOM 1043 N MET A 70 20.103 -0.511 19.104 1.00 0.00 N ATOM 1044 CA MET A 70 21.342 0.181 19.474 1.00 0.00 C ATOM 1045 C MET A 70 22.304 0.275 18.274 1.00 0.00 C ATOM 1046 O MET A 70 23.394 0.839 18.387 1.00 0.00 O ATOM 1047 CB MET A 70 21.957 -0.562 20.678 1.00 0.00 C ATOM 1048 CG MET A 70 23.033 0.222 21.444 1.00 0.00 C ATOM 1049 SD MET A 70 22.476 1.792 22.169 1.00 0.00 S ATOM 1050 CE MET A 70 24.025 2.328 22.947 1.00 0.00 C ATOM 0 H MET A 70 20.266 -1.343 18.537 1.00 0.00 H new ATOM 0 HA MET A 70 21.136 1.212 19.763 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.157 -0.824 21.371 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.392 -1.497 20.325 1.00 0.00 H new ATOM 0 HG2 MET A 70 23.422 -0.411 22.242 1.00 0.00 H new ATOM 0 HG3 MET A 70 23.862 0.427 20.767 1.00 0.00 H new ATOM 0 HE1 MET A 70 23.870 3.285 23.445 1.00 0.00 H new ATOM 0 HE2 MET A 70 24.341 1.585 23.679 1.00 0.00 H new ATOM 0 HE3 MET A 70 24.796 2.437 22.185 1.00 0.00 H new ATOM 1060 N SER A 71 21.886 -0.237 17.113 1.00 0.00 N ATOM 1061 CA SER A 71 22.617 -0.248 15.857 1.00 0.00 C ATOM 1062 C SER A 71 21.597 -0.073 14.730 1.00 0.00 C ATOM 1063 O SER A 71 20.400 -0.292 14.944 1.00 0.00 O ATOM 1064 CB SER A 71 23.370 -1.580 15.699 1.00 0.00 C ATOM 1065 OG SER A 71 24.225 -1.844 16.803 1.00 0.00 O ATOM 0 H SER A 71 20.971 -0.680 17.027 1.00 0.00 H new ATOM 0 HA SER A 71 23.352 0.556 15.830 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.651 -2.393 15.595 1.00 0.00 H new ATOM 0 HB3 SER A 71 23.959 -1.557 14.782 1.00 0.00 H new ATOM 0 HG SER A 71 24.683 -2.699 16.665 1.00 0.00 H new ATOM 1071 N ILE A 72 22.055 0.289 13.530 1.00 0.00 N ATOM 1072 CA ILE A 72 21.230 0.414 12.331 1.00 0.00 C ATOM 1073 C ILE A 72 22.044 -0.074 11.112 1.00 0.00 C ATOM 1074 O ILE A 72 23.278 -0.039 11.179 1.00 0.00 O ATOM 1075 CB ILE A 72 20.716 1.864 12.152 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.850 2.912 12.095 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.688 2.226 13.243 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.365 4.294 11.644 1.00 0.00 C ATOM 0 H ILE A 72 23.037 0.509 13.363 1.00 0.00 H new ATOM 0 HA ILE A 72 20.342 -0.211 12.429 1.00 0.00 H new ATOM 0 HB ILE A 72 20.223 1.893 11.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.308 2.997 13.080 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.625 2.564 11.412 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.344 3.249 13.093 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.839 1.545 13.183 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.154 2.140 14.225 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.207 4.986 11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.932 4.220 10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.611 4.660 12.341 1.00 0.00 H new ATOM 1090 N PRO A 73 21.414 -0.513 10.003 1.00 0.00 N ATOM 1091 CA PRO A 73 19.977 -0.697 9.838 1.00 0.00 C ATOM 1092 C PRO A 73 19.483 -1.827 10.741 1.00 0.00 C ATOM 1093 O PRO A 73 20.131 -2.872 10.847 1.00 0.00 O ATOM 1094 CB PRO A 73 19.762 -1.034 8.357 1.00 0.00 C ATOM 1095 CG PRO A 73 21.085 -1.666 7.931 1.00 0.00 C ATOM 1096 CD PRO A 73 22.117 -0.957 8.808 1.00 0.00 C ATOM 0 HA PRO A 73 19.417 0.195 10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.928 -1.722 8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.538 -0.142 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.088 -2.743 8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.283 -1.508 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 73 22.934 -1.631 9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.557 -0.111 8.281 1.00 0.00 H new ATOM 1104 N THR A 74 18.325 -1.624 11.360 1.00 0.00 N ATOM 1105 CA THR A 74 17.664 -2.644 12.163 1.00 0.00 C ATOM 1106 C THR A 74 16.221 -2.718 11.682 1.00 0.00 C ATOM 1107 O THR A 74 15.625 -1.706 11.308 1.00 0.00 O ATOM 1108 CB THR A 74 17.840 -2.326 13.658 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.203 -2.477 13.992 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.040 -3.266 14.564 1.00 0.00 C ATOM 0 H THR A 74 17.816 -0.741 11.318 1.00 0.00 H new ATOM 0 HA THR A 74 18.102 -3.635 12.042 1.00 0.00 H new ATOM 0 HB THR A 74 17.480 -1.309 13.815 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.516 -1.675 14.460 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.204 -2.993 15.607 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.979 -3.182 14.329 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.367 -4.293 14.402 1.00 0.00 H new ATOM 1118 N LEU A 75 15.670 -3.928 11.648 1.00 0.00 N ATOM 1119 CA LEU A 75 14.409 -4.231 11.004 1.00 0.00 C ATOM 1120 C LEU A 75 13.503 -4.852 12.049 1.00 0.00 C ATOM 1121 O LEU A 75 13.889 -5.828 12.697 1.00 0.00 O ATOM 1122 CB LEU A 75 14.626 -5.196 9.828 1.00 0.00 C ATOM 1123 CG LEU A 75 15.584 -4.689 8.730 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.750 -5.781 7.670 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.122 -3.387 8.067 1.00 0.00 C ATOM 0 H LEU A 75 16.105 -4.742 12.081 1.00 0.00 H new ATOM 0 HA LEU A 75 13.956 -3.325 10.601 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.012 -6.138 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.659 -5.412 9.373 1.00 0.00 H new ATOM 0 HG LEU A 75 16.535 -4.464 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.426 -5.431 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.163 -6.677 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.779 -6.013 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.844 -3.090 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.148 -3.541 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.046 -2.602 8.820 1.00 0.00 H new ATOM 1137 N LEU A 76 12.304 -4.298 12.215 1.00 0.00 N ATOM 1138 CA LEU A 76 11.323 -4.793 13.175 1.00 0.00 C ATOM 1139 C LEU A 76 10.144 -5.200 12.316 1.00 0.00 C ATOM 1140 O LEU A 76 9.599 -4.365 11.596 1.00 0.00 O ATOM 1141 CB LEU A 76 10.926 -3.706 14.202 1.00 0.00 C ATOM 1142 CG LEU A 76 11.839 -3.498 15.430 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.737 -4.683 16.392 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.305 -3.266 15.062 1.00 0.00 C ATOM 0 H LEU A 76 11.985 -3.488 11.683 1.00 0.00 H new ATOM 0 HA LEU A 76 11.710 -5.618 13.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.858 -2.756 13.672 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.926 -3.941 14.566 1.00 0.00 H new ATOM 0 HG LEU A 76 11.479 -2.592 15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.389 -4.513 17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.707 -4.786 16.734 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.042 -5.595 15.879 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.891 -3.127 15.971 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.684 -4.129 14.514 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.387 -2.376 14.438 1.00 0.00 H new ATOM 1156 N VAL A 77 9.765 -6.471 12.350 1.00 0.00 N ATOM 1157 CA VAL A 77 8.546 -6.916 11.700 1.00 0.00 C ATOM 1158 C VAL A 77 7.492 -6.772 12.783 1.00 0.00 C ATOM 1159 O VAL A 77 7.639 -7.352 13.865 1.00 0.00 O ATOM 1160 CB VAL A 77 8.636 -8.367 11.187 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.487 -8.657 10.209 1.00 0.00 C ATOM 1162 CG2 VAL A 77 9.961 -8.682 10.476 1.00 0.00 C ATOM 0 H VAL A 77 10.287 -7.210 12.822 1.00 0.00 H new ATOM 0 HA VAL A 77 8.326 -6.333 10.806 1.00 0.00 H new ATOM 0 HB VAL A 77 8.571 -8.999 12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.562 -9.685 9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.533 -8.517 10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.550 -7.975 9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.957 -9.719 10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.078 -8.023 9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.790 -8.527 11.166 1.00 0.00 H new ATOM 1172 N LEU A 78 6.446 -6.005 12.499 1.00 0.00 N ATOM 1173 CA LEU A 78 5.288 -5.877 13.357 1.00 0.00 C ATOM 1174 C LEU A 78 4.123 -6.534 12.635 1.00 0.00 C ATOM 1175 O LEU A 78 4.096 -6.598 11.404 1.00 0.00 O ATOM 1176 CB LEU A 78 4.989 -4.403 13.708 1.00 0.00 C ATOM 1177 CG LEU A 78 6.059 -3.758 14.619 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.153 -3.039 13.821 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.449 -2.779 15.626 1.00 0.00 C ATOM 0 H LEU A 78 6.384 -5.446 11.648 1.00 0.00 H new ATOM 0 HA LEU A 78 5.469 -6.370 14.312 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.912 -3.826 12.786 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.019 -4.345 14.202 1.00 0.00 H new ATOM 0 HG LEU A 78 6.511 -4.588 15.162 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.878 -2.604 14.508 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.655 -3.752 13.167 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.704 -2.249 13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.240 -2.352 16.243 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.935 -1.980 15.091 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.738 -3.307 16.262 1.00 0.00 H new ATOM 1191 N LYS A 79 3.148 -7.010 13.400 1.00 0.00 N ATOM 1192 CA LYS A 79 1.908 -7.559 12.886 1.00 0.00 C ATOM 1193 C LYS A 79 0.807 -6.985 13.756 1.00 0.00 C ATOM 1194 O LYS A 79 0.860 -7.130 14.976 1.00 0.00 O ATOM 1195 CB LYS A 79 1.951 -9.096 12.926 1.00 0.00 C ATOM 1196 CG LYS A 79 0.730 -9.709 12.224 1.00 0.00 C ATOM 1197 CD LYS A 79 0.705 -11.244 12.265 1.00 0.00 C ATOM 1198 CE LYS A 79 0.432 -11.771 13.684 1.00 0.00 C ATOM 1199 NZ LYS A 79 0.246 -13.244 13.712 1.00 0.00 N ATOM 0 H LYS A 79 3.203 -7.023 14.418 1.00 0.00 H new ATOM 0 HA LYS A 79 1.737 -7.294 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.864 -9.449 12.446 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.985 -9.434 13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.177 -9.326 12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.716 -9.381 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.063 -11.614 11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.659 -11.633 11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.262 -11.499 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.459 -11.287 14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.065 -13.553 14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.562 -13.503 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.105 -13.709 13.356 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.171 -6.330 13.132 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.347 -5.760 13.797 1.00 0.00 C ATOM 1215 C ASP A 80 -0.965 -4.874 15.002 1.00 0.00 C ATOM 1216 O ASP A 80 -1.662 -4.828 16.016 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.345 -6.886 14.132 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.687 -6.369 14.685 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.302 -5.465 14.075 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.178 -6.920 15.697 1.00 0.00 O ATOM 0 H ASP A 80 -0.169 -6.176 12.124 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.851 -5.076 13.114 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.533 -7.474 13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.893 -7.556 14.863 1.00 0.00 H new ATOM 1225 N GLY A 81 0.173 -4.174 14.905 1.00 0.00 N ATOM 1226 CA GLY A 81 0.572 -3.136 15.850 1.00 0.00 C ATOM 1227 C GLY A 81 1.566 -3.587 16.923 1.00 0.00 C ATOM 1228 O GLY A 81 1.946 -2.758 17.750 1.00 0.00 O ATOM 0 H GLY A 81 0.849 -4.319 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.012 -2.308 15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.321 -2.751 16.342 1.00 0.00 H new ATOM 1232 N GLU A 82 2.015 -4.849 16.932 1.00 0.00 N ATOM 1233 CA GLU A 82 2.992 -5.353 17.895 1.00 0.00 C ATOM 1234 C GLU A 82 4.138 -6.044 17.160 1.00 0.00 C ATOM 1235 O GLU A 82 3.929 -6.579 16.071 1.00 0.00 O ATOM 1236 CB GLU A 82 2.285 -6.276 18.900 1.00 0.00 C ATOM 1237 CG GLU A 82 1.883 -7.663 18.370 1.00 0.00 C ATOM 1238 CD GLU A 82 1.188 -8.494 19.463 1.00 0.00 C ATOM 1239 OE1 GLU A 82 -0.057 -8.427 19.594 1.00 0.00 O ATOM 1240 OE2 GLU A 82 1.874 -9.238 20.200 1.00 0.00 O ATOM 0 H GLU A 82 1.704 -5.553 16.262 1.00 0.00 H new ATOM 0 HA GLU A 82 3.431 -4.530 18.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.939 -6.413 19.761 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.388 -5.771 19.259 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.216 -7.550 17.516 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.768 -8.191 18.015 1.00 0.00 H new ATOM 1247 N VAL A 83 5.349 -6.030 17.726 1.00 0.00 N ATOM 1248 CA VAL A 83 6.495 -6.721 17.139 1.00 0.00 C ATOM 1249 C VAL A 83 6.187 -8.212 17.099 1.00 0.00 C ATOM 1250 O VAL A 83 5.748 -8.806 18.088 1.00 0.00 O ATOM 1251 CB VAL A 83 7.804 -6.405 17.893 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.014 -7.080 17.224 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.067 -4.893 17.928 1.00 0.00 C ATOM 0 H VAL A 83 5.559 -5.543 18.597 1.00 0.00 H new ATOM 0 HA VAL A 83 6.658 -6.366 16.121 1.00 0.00 H new ATOM 0 HB VAL A 83 7.681 -6.789 18.906 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.920 -6.837 17.780 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.871 -8.161 17.218 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.110 -6.721 16.199 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.995 -4.697 18.465 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.151 -4.515 16.909 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.242 -4.392 18.435 1.00 0.00 H new ATOM 1263 N VAL A 84 6.461 -8.801 15.943 1.00 0.00 N ATOM 1264 CA VAL A 84 6.314 -10.213 15.675 1.00 0.00 C ATOM 1265 C VAL A 84 7.688 -10.819 15.331 1.00 0.00 C ATOM 1266 O VAL A 84 7.884 -12.003 15.603 1.00 0.00 O ATOM 1267 CB VAL A 84 5.197 -10.390 14.617 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.680 -10.224 13.169 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.461 -11.719 14.803 1.00 0.00 C ATOM 0 H VAL A 84 6.806 -8.280 15.137 1.00 0.00 H new ATOM 0 HA VAL A 84 5.985 -10.780 16.546 1.00 0.00 H new ATOM 0 HB VAL A 84 4.496 -9.574 14.792 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.841 -10.362 12.487 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.095 -9.225 13.036 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.448 -10.967 12.954 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.683 -11.813 14.045 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.167 -12.543 14.703 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.008 -11.748 15.794 1.00 0.00 H new ATOM 1279 N GLU A 85 8.666 -10.035 14.832 1.00 0.00 N ATOM 1280 CA GLU A 85 10.027 -10.535 14.586 1.00 0.00 C ATOM 1281 C GLU A 85 11.028 -9.369 14.534 1.00 0.00 C ATOM 1282 O GLU A 85 10.621 -8.217 14.384 1.00 0.00 O ATOM 1283 CB GLU A 85 10.027 -11.363 13.280 1.00 0.00 C ATOM 1284 CG GLU A 85 11.307 -12.126 12.923 1.00 0.00 C ATOM 1285 CD GLU A 85 11.744 -13.111 14.012 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.350 -12.669 15.013 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.495 -14.328 13.846 1.00 0.00 O ATOM 0 H GLU A 85 8.534 -9.052 14.592 1.00 0.00 H new ATOM 0 HA GLU A 85 10.343 -11.182 15.404 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.212 -12.084 13.340 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.797 -10.689 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.151 -12.670 11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.111 -11.412 12.744 1.00 0.00 H new ATOM 1294 N THR A 86 12.330 -9.655 14.625 1.00 0.00 N ATOM 1295 CA THR A 86 13.409 -8.667 14.543 1.00 0.00 C ATOM 1296 C THR A 86 14.527 -9.224 13.646 1.00 0.00 C ATOM 1297 O THR A 86 14.717 -10.441 13.562 1.00 0.00 O ATOM 1298 CB THR A 86 13.935 -8.361 15.963 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.876 -8.127 16.876 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.860 -7.138 16.012 1.00 0.00 C ATOM 0 H THR A 86 12.672 -10.606 14.761 1.00 0.00 H new ATOM 0 HA THR A 86 13.042 -7.737 14.108 1.00 0.00 H new ATOM 0 HB THR A 86 14.499 -9.250 16.246 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.245 -7.938 17.764 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.195 -6.976 17.036 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.724 -7.309 15.370 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.319 -6.258 15.664 1.00 0.00 H new ATOM 1308 N SER A 87 15.276 -8.353 12.967 1.00 0.00 N ATOM 1309 CA SER A 87 16.503 -8.671 12.240 1.00 0.00 C ATOM 1310 C SER A 87 17.414 -7.434 12.243 1.00 0.00 C ATOM 1311 O SER A 87 16.940 -6.318 12.464 1.00 0.00 O ATOM 1312 CB SER A 87 16.145 -9.114 10.815 1.00 0.00 C ATOM 1313 OG SER A 87 15.470 -10.358 10.847 1.00 0.00 O ATOM 0 H SER A 87 15.032 -7.364 12.907 1.00 0.00 H new ATOM 0 HA SER A 87 17.039 -9.491 12.719 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.515 -8.362 10.340 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.050 -9.198 10.214 1.00 0.00 H new ATOM 0 HG SER A 87 15.241 -10.582 11.773 1.00 0.00 H new ATOM 1319 N VAL A 88 18.718 -7.609 12.019 1.00 0.00 N ATOM 1320 CA VAL A 88 19.707 -6.530 12.067 1.00 0.00 C ATOM 1321 C VAL A 88 20.603 -6.659 10.829 1.00 0.00 C ATOM 1322 O VAL A 88 20.867 -7.773 10.365 1.00 0.00 O ATOM 1323 CB VAL A 88 20.502 -6.606 13.394 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.478 -5.428 13.555 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.588 -6.628 14.634 1.00 0.00 C ATOM 0 H VAL A 88 19.123 -8.518 11.796 1.00 0.00 H new ATOM 0 HA VAL A 88 19.231 -5.550 12.048 1.00 0.00 H new ATOM 0 HB VAL A 88 21.055 -7.543 13.332 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.012 -5.525 14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.193 -5.432 12.732 1.00 0.00 H new ATOM 0 HG13 VAL A 88 20.922 -4.491 13.547 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.199 -6.682 15.535 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.985 -5.720 14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.933 -7.498 14.588 1.00 0.00 H new ATOM 1335 N GLY A 89 21.090 -5.534 10.305 1.00 0.00 N ATOM 1336 CA GLY A 89 22.010 -5.502 9.179 1.00 0.00 C ATOM 1337 C GLY A 89 21.307 -5.752 7.844 1.00 0.00 C ATOM 1338 O GLY A 89 20.084 -5.898 7.775 1.00 0.00 O ATOM 0 H GLY A 89 20.850 -4.608 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.508 -4.533 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.785 -6.255 9.325 1.00 0.00 H new ATOM 1342 N PHE A 90 22.100 -5.777 6.772 1.00 0.00 N ATOM 1343 CA PHE A 90 21.626 -6.029 5.415 1.00 0.00 C ATOM 1344 C PHE A 90 21.066 -7.453 5.288 1.00 0.00 C ATOM 1345 O PHE A 90 21.537 -8.378 5.958 1.00 0.00 O ATOM 1346 CB PHE A 90 22.797 -5.814 4.439 1.00 0.00 C ATOM 1347 CG PHE A 90 22.452 -6.023 2.975 1.00 0.00 C ATOM 1348 CD1 PHE A 90 21.981 -4.947 2.199 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.589 -7.298 2.387 1.00 0.00 C ATOM 1350 CE1 PHE A 90 21.639 -5.147 0.850 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.235 -7.498 1.041 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.759 -6.423 0.272 1.00 0.00 C ATOM 0 H PHE A 90 23.106 -5.620 6.826 1.00 0.00 H new ATOM 0 HA PHE A 90 20.817 -5.339 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.177 -4.800 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.605 -6.494 4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 90 21.882 -3.966 2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.967 -8.123 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 90 21.283 -4.318 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 90 22.329 -8.479 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.486 -6.577 -0.762 1.00 0.00 H new ATOM 1362 N LYS A 91 20.094 -7.636 4.390 1.00 0.00 N ATOM 1363 CA LYS A 91 19.599 -8.929 3.921 1.00 0.00 C ATOM 1364 C LYS A 91 19.139 -8.732 2.472 1.00 0.00 C ATOM 1365 O LYS A 91 18.622 -7.654 2.162 1.00 0.00 O ATOM 1366 CB LYS A 91 18.421 -9.445 4.773 1.00 0.00 C ATOM 1367 CG LYS A 91 18.861 -10.236 6.014 1.00 0.00 C ATOM 1368 CD LYS A 91 18.733 -9.446 7.325 1.00 0.00 C ATOM 1369 CE LYS A 91 19.536 -10.152 8.428 1.00 0.00 C ATOM 1370 NZ LYS A 91 20.970 -9.775 8.401 1.00 0.00 N ATOM 0 H LYS A 91 19.611 -6.851 3.952 1.00 0.00 H new ATOM 0 HA LYS A 91 20.393 -9.672 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.813 -8.597 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.786 -10.079 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.262 -11.144 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.898 -10.547 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.101 -8.429 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.685 -9.370 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.114 -9.901 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.443 -11.232 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.554 -10.621 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.202 -9.358 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.161 -9.081 9.151 1.00 0.00 H new ATOM 1384 N PRO A 92 19.297 -9.736 1.590 1.00 0.00 N ATOM 1385 CA PRO A 92 18.781 -9.675 0.229 1.00 0.00 C ATOM 1386 C PRO A 92 17.251 -9.773 0.231 1.00 0.00 C ATOM 1387 O PRO A 92 16.646 -10.269 1.186 1.00 0.00 O ATOM 1388 CB PRO A 92 19.432 -10.856 -0.500 1.00 0.00 C ATOM 1389 CG PRO A 92 19.655 -11.881 0.612 1.00 0.00 C ATOM 1390 CD PRO A 92 19.963 -11.009 1.828 1.00 0.00 C ATOM 0 HA PRO A 92 19.017 -8.733 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.786 -11.249 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.370 -10.567 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.772 -12.500 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.479 -12.555 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.599 -11.474 2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 92 21.038 -10.871 1.946 1.00 0.00 H new ATOM 1398 N LYS A 93 16.616 -9.351 -0.869 1.00 0.00 N ATOM 1399 CA LYS A 93 15.154 -9.299 -0.969 1.00 0.00 C ATOM 1400 C LYS A 93 14.490 -10.650 -0.755 1.00 0.00 C ATOM 1401 O LYS A 93 13.370 -10.684 -0.260 1.00 0.00 O ATOM 1402 CB LYS A 93 14.705 -8.688 -2.305 1.00 0.00 C ATOM 1403 CG LYS A 93 15.083 -9.495 -3.558 1.00 0.00 C ATOM 1404 CD LYS A 93 14.689 -8.695 -4.800 1.00 0.00 C ATOM 1405 CE LYS A 93 14.907 -9.498 -6.084 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.418 -8.746 -7.260 1.00 0.00 N ATOM 0 H LYS A 93 17.099 -9.037 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 93 14.824 -8.652 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.622 -8.567 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.136 -7.690 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.154 -9.700 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.574 -10.459 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.641 -8.403 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.274 -7.776 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.967 -9.721 -6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.386 -10.453 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.575 -9.308 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.401 -8.555 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.933 -7.846 -7.335 1.00 0.00 H new ATOM 1420 N GLU A 94 15.147 -11.742 -1.137 1.00 0.00 N ATOM 1421 CA GLU A 94 14.605 -13.085 -0.973 1.00 0.00 C ATOM 1422 C GLU A 94 14.533 -13.439 0.516 1.00 0.00 C ATOM 1423 O GLU A 94 13.499 -13.908 0.989 1.00 0.00 O ATOM 1424 CB GLU A 94 15.460 -14.105 -1.741 1.00 0.00 C ATOM 1425 CG GLU A 94 15.388 -13.891 -3.261 1.00 0.00 C ATOM 1426 CD GLU A 94 16.189 -14.964 -4.020 1.00 0.00 C ATOM 1427 OE1 GLU A 94 15.624 -16.030 -4.357 1.00 0.00 O ATOM 1428 OE2 GLU A 94 17.388 -14.748 -4.309 1.00 0.00 O ATOM 0 H GLU A 94 16.071 -11.719 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 94 13.596 -13.115 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.497 -14.028 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.123 -15.114 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.347 -13.916 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.775 -12.903 -3.509 1.00 0.00 H new ATOM 1435 N ALA A 95 15.598 -13.159 1.276 1.00 0.00 N ATOM 1436 CA ALA A 95 15.625 -13.411 2.710 1.00 0.00 C ATOM 1437 C ALA A 95 14.596 -12.534 3.423 1.00 0.00 C ATOM 1438 O ALA A 95 13.891 -12.999 4.320 1.00 0.00 O ATOM 1439 CB ALA A 95 17.032 -13.162 3.264 1.00 0.00 C ATOM 0 H ALA A 95 16.459 -12.753 0.910 1.00 0.00 H new ATOM 0 HA ALA A 95 15.365 -14.454 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.040 -13.354 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.740 -13.828 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.318 -12.127 3.078 1.00 0.00 H new ATOM 1445 N LEU A 96 14.474 -11.274 3.000 1.00 0.00 N ATOM 1446 CA LEU A 96 13.474 -10.366 3.540 1.00 0.00 C ATOM 1447 C LEU A 96 12.061 -10.843 3.219 1.00 0.00 C ATOM 1448 O LEU A 96 11.188 -10.783 4.080 1.00 0.00 O ATOM 1449 CB LEU A 96 13.662 -8.950 2.995 1.00 0.00 C ATOM 1450 CG LEU A 96 14.958 -8.245 3.437 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.111 -6.912 2.701 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.978 -7.994 4.950 1.00 0.00 C ATOM 0 H LEU A 96 15.064 -10.861 2.278 1.00 0.00 H new ATOM 0 HA LEU A 96 13.608 -10.354 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.643 -8.991 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.812 -8.342 3.306 1.00 0.00 H new ATOM 0 HG LEU A 96 15.790 -8.904 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.031 -6.423 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.151 -7.092 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.260 -6.270 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.908 -7.495 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.133 -7.363 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.908 -8.945 5.478 1.00 0.00 H new ATOM 1464 N GLN A 97 11.824 -11.345 2.010 1.00 0.00 N ATOM 1465 CA GLN A 97 10.536 -11.910 1.643 1.00 0.00 C ATOM 1466 C GLN A 97 10.199 -13.079 2.555 1.00 0.00 C ATOM 1467 O GLN A 97 9.053 -13.189 2.973 1.00 0.00 O ATOM 1468 CB GLN A 97 10.525 -12.346 0.163 1.00 0.00 C ATOM 1469 CG GLN A 97 10.077 -11.191 -0.731 1.00 0.00 C ATOM 1470 CD GLN A 97 10.438 -11.357 -2.203 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.753 -12.042 -2.959 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.488 -10.686 -2.641 1.00 0.00 N ATOM 0 H GLN A 97 12.518 -11.370 1.263 1.00 0.00 H new ATOM 0 HA GLN A 97 9.773 -11.141 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.521 -12.677 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.855 -13.196 0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.996 -11.079 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.523 -10.268 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.041 -10.124 -1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.746 -10.729 -3.627 1.00 0.00 H new ATOM 1481 N GLU A 98 11.169 -13.916 2.914 1.00 0.00 N ATOM 1482 CA GLU A 98 10.924 -15.035 3.819 1.00 0.00 C ATOM 1483 C GLU A 98 10.606 -14.533 5.232 1.00 0.00 C ATOM 1484 O GLU A 98 9.689 -15.042 5.877 1.00 0.00 O ATOM 1485 CB GLU A 98 12.106 -16.016 3.831 1.00 0.00 C ATOM 1486 CG GLU A 98 12.181 -16.843 2.540 1.00 0.00 C ATOM 1487 CD GLU A 98 13.311 -17.887 2.605 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.480 -17.556 2.303 1.00 0.00 O ATOM 1489 OE2 GLU A 98 13.038 -19.061 2.944 1.00 0.00 O ATOM 0 H GLU A 98 12.134 -13.840 2.591 1.00 0.00 H new ATOM 0 HA GLU A 98 10.054 -15.578 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.036 -15.462 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.012 -16.686 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.229 -17.346 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.345 -16.180 1.691 1.00 0.00 H new ATOM 1496 N LEU A 99 11.315 -13.500 5.694 1.00 0.00 N ATOM 1497 CA LEU A 99 11.107 -12.844 6.973 1.00 0.00 C ATOM 1498 C LEU A 99 9.693 -12.248 7.072 1.00 0.00 C ATOM 1499 O LEU A 99 9.069 -12.325 8.129 1.00 0.00 O ATOM 1500 CB LEU A 99 12.220 -11.790 7.101 1.00 0.00 C ATOM 1501 CG LEU A 99 12.081 -10.814 8.269 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.190 -11.547 9.604 1.00 0.00 C ATOM 1503 CD2 LEU A 99 13.171 -9.747 8.154 1.00 0.00 C ATOM 0 H LEU A 99 12.079 -13.086 5.160 1.00 0.00 H new ATOM 0 HA LEU A 99 11.167 -13.548 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 99 13.175 -12.307 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.259 -11.216 6.175 1.00 0.00 H new ATOM 0 HG LEU A 99 11.099 -10.342 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.088 -10.832 10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.399 -12.294 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.161 -12.039 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.081 -9.045 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.151 -10.223 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.058 -9.212 7.211 1.00 0.00 H new ATOM 1515 N VAL A 100 9.163 -11.692 5.981 1.00 0.00 N ATOM 1516 CA VAL A 100 7.768 -11.276 5.879 1.00 0.00 C ATOM 1517 C VAL A 100 6.860 -12.516 5.872 1.00 0.00 C ATOM 1518 O VAL A 100 5.898 -12.603 6.638 1.00 0.00 O ATOM 1519 CB VAL A 100 7.591 -10.421 4.601 1.00 0.00 C ATOM 1520 CG1 VAL A 100 6.132 -10.008 4.363 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.443 -9.142 4.612 1.00 0.00 C ATOM 0 H VAL A 100 9.701 -11.517 5.132 1.00 0.00 H new ATOM 0 HA VAL A 100 7.485 -10.667 6.737 1.00 0.00 H new ATOM 0 HB VAL A 100 7.926 -11.074 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.067 -9.410 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.514 -10.900 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.778 -9.420 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.276 -8.585 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.161 -8.525 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.497 -9.408 4.689 1.00 0.00 H new ATOM 1531 N ASN A 101 7.177 -13.493 5.019 1.00 0.00 N ATOM 1532 CA ASN A 101 6.332 -14.639 4.691 1.00 0.00 C ATOM 1533 C ASN A 101 5.972 -15.455 5.921 1.00 0.00 C ATOM 1534 O ASN A 101 4.824 -15.873 6.061 1.00 0.00 O ATOM 1535 CB ASN A 101 7.028 -15.542 3.662 1.00 0.00 C ATOM 1536 CG ASN A 101 6.098 -16.631 3.149 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.933 -17.682 3.761 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.487 -16.400 1.999 1.00 0.00 N ATOM 0 H ASN A 101 8.066 -13.506 4.519 1.00 0.00 H new ATOM 0 HA ASN A 101 5.409 -14.243 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.377 -14.938 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.908 -15.999 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.863 -17.103 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.640 -15.519 1.508 1.00 0.00 H new ATOM 1545 N LYS A 102 6.925 -15.630 6.843 1.00 0.00 N ATOM 1546 CA LYS A 102 6.718 -16.416 8.060 1.00 0.00 C ATOM 1547 C LYS A 102 5.681 -15.801 9.014 1.00 0.00 C ATOM 1548 O LYS A 102 5.320 -16.455 9.993 1.00 0.00 O ATOM 1549 CB LYS A 102 8.064 -16.742 8.738 1.00 0.00 C ATOM 1550 CG LYS A 102 8.850 -15.518 9.234 1.00 0.00 C ATOM 1551 CD LYS A 102 10.217 -15.851 9.860 1.00 0.00 C ATOM 1552 CE LYS A 102 10.135 -16.675 11.157 1.00 0.00 C ATOM 1553 NZ LYS A 102 9.730 -15.874 12.339 1.00 0.00 N ATOM 0 H LYS A 102 7.860 -15.230 6.765 1.00 0.00 H new ATOM 0 HA LYS A 102 6.273 -17.365 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.878 -17.404 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.686 -17.294 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.004 -14.836 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.246 -14.988 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.813 -16.400 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.745 -14.920 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.423 -17.489 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.106 -17.131 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.369 -16.508 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.552 -15.350 12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.985 -15.202 12.064 1.00 0.00 H new ATOM 1567 N HIS A 103 5.172 -14.596 8.727 1.00 0.00 N ATOM 1568 CA HIS A 103 4.111 -13.938 9.494 1.00 0.00 C ATOM 1569 C HIS A 103 2.924 -13.481 8.634 1.00 0.00 C ATOM 1570 O HIS A 103 1.941 -12.989 9.193 1.00 0.00 O ATOM 1571 CB HIS A 103 4.704 -12.768 10.291 1.00 0.00 C ATOM 1572 CG HIS A 103 5.710 -13.236 11.305 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.441 -13.977 12.434 1.00 0.00 N ATOM 1574 CD2 HIS A 103 7.069 -13.121 11.209 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.610 -14.298 13.008 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.637 -13.816 12.285 1.00 0.00 N ATOM 0 H HIS A 103 5.496 -14.040 7.936 1.00 0.00 H new ATOM 0 HA HIS A 103 3.701 -14.680 10.179 1.00 0.00 H new ATOM 0 HB2 HIS A 103 5.178 -12.065 9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.902 -12.229 10.796 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.515 -14.236 12.774 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.609 -12.589 10.440 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.712 -14.864 13.922 1.00 0.00 H new ATOM 1584 N LEU A 104 2.974 -13.642 7.304 1.00 0.00 N ATOM 1585 CA LEU A 104 1.814 -13.427 6.445 1.00 0.00 C ATOM 1586 C LEU A 104 0.701 -14.386 6.857 1.00 0.00 C ATOM 1587 O LEU A 104 -0.470 -13.956 6.885 1.00 0.00 O ATOM 1588 CB LEU A 104 2.155 -13.620 4.957 1.00 0.00 C ATOM 1589 CG LEU A 104 2.999 -12.503 4.317 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.236 -12.827 2.838 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.349 -11.116 4.419 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.985 -15.575 7.113 1.00 0.00 O ATOM 0 H LEU A 104 3.816 -13.923 6.802 1.00 0.00 H new ATOM 0 HA LEU A 104 1.485 -12.395 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.689 -14.564 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.224 -13.712 4.398 1.00 0.00 H new ATOM 0 HG LEU A 104 3.937 -12.464 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.834 -12.037 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.765 -13.776 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.278 -12.899 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.996 -10.376 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.384 -11.128 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.205 -10.858 5.468 1.00 0.00 H new