USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 596 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.73 K(o=-1.7,f=-5.8!) USER MOD Single : A 1 HIS :FLIP no HD1:sc= 0.122 F(o=-1.2,f=0.12) USER MOD Single : A 1 HIS N :NH3+ 156:sc= 0.287 (180deg=0.101) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -71:sc= 0.549 USER MOD Single : A 9 TYR OH : rot 165:sc= -0.505 USER MOD Single : A 10 GLN : amide:sc=-0.00424 X(o=-0.0042,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.879 K(o=-0.88,f=-6.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.23 F(o=-2.9,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00122) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.99 K(o=-3,f=-5.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.0779 (180deg=-0.577) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.952 F(o=-1.5,f=-0.95) USER MOD Single : A 38 THR OG1 : rot -42:sc= 0.171 USER MOD Single : A 39 ASN : amide:sc= -2.97! C(o=-3!,f=-6.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= -0.304 (180deg=-0.308) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0307 USER MOD Single : A 60 SER OG : rot -6:sc= 0.115! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.111 (180deg=-0.323) USER MOD Single : A 67 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.16) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.282 2.268 -0.444 1.00 11.11 N ATOM 2 CA HIS A 1 -0.077 2.111 -0.950 1.00 31.32 C ATOM 3 C HIS A 1 -0.654 0.757 -0.546 1.00 0.34 C ATOM 4 O HIS A 1 0.085 -0.202 -0.326 1.00 74.21 O ATOM 5 CB HIS A 1 -0.097 2.253 -2.472 1.00 63.50 C ATOM 6 CG HIS A 1 0.409 3.576 -2.957 1.00 11.31 C ATOM 7 ND1 HIS A 1 1.631 4.149 -2.854 1.00 15.24 N flip ATOM 8 CD2 HIS A 1 -0.379 4.479 -3.639 1.00 30.03 C flip ATOM 9 CE1 HIS A 1 1.560 5.374 -3.470 1.00 43.23 C flip ATOM 10 NE2 HIS A 1 0.336 5.549 -3.935 1.00 11.23 N flip ATOM 0 H1 HIS A 1 1.793 2.958 -1.031 1.00 11.11 H new ATOM 0 H2 HIS A 1 1.250 2.606 0.539 1.00 11.11 H new ATOM 0 H3 HIS A 1 1.773 1.352 -0.479 1.00 11.11 H new ATOM 0 HA HIS A 1 -0.694 2.895 -0.512 1.00 31.32 H new ATOM 0 HB2 HIS A 1 0.508 1.459 -2.911 1.00 63.50 H new ATOM 0 HB3 HIS A 1 -1.117 2.111 -2.829 1.00 63.50 H new ATOM 0 HD2 HIS A 1 -1.419 4.334 -3.892 1.00 30.03 H new ATOM 0 HE1 HIS A 1 2.373 6.080 -3.560 1.00 43.23 H new ATOM 0 HE2 HIS A 1 0.000 6.371 -4.437 1.00 11.23 H new ATOM 18 N MET A 2 -1.978 0.689 -0.449 1.00 23.13 N ATOM 19 CA MET A 2 -2.653 -0.547 -0.071 1.00 61.32 C ATOM 20 C MET A 2 -2.560 -1.581 -1.189 1.00 42.12 C ATOM 21 O MET A 2 -2.044 -1.296 -2.271 1.00 10.32 O ATOM 22 CB MET A 2 -4.120 -0.271 0.263 1.00 51.34 C ATOM 23 CG MET A 2 -4.331 0.280 1.664 1.00 73.53 C ATOM 24 SD MET A 2 -4.228 2.079 1.726 1.00 21.43 S ATOM 25 CE MET A 2 -5.198 2.423 3.192 1.00 20.31 C ATOM 0 H MET A 2 -2.604 1.475 -0.627 1.00 23.13 H new ATOM 0 HA MET A 2 -2.156 -0.947 0.813 1.00 61.32 H new ATOM 0 HB2 MET A 2 -4.522 0.437 -0.461 1.00 51.34 H new ATOM 0 HB3 MET A 2 -4.689 -1.195 0.155 1.00 51.34 H new ATOM 0 HG2 MET A 2 -5.307 -0.037 2.032 1.00 73.53 H new ATOM 0 HG3 MET A 2 -3.584 -0.146 2.334 1.00 73.53 H new ATOM 0 HE1 MET A 2 -5.228 3.499 3.364 1.00 20.31 H new ATOM 0 HE2 MET A 2 -6.212 2.049 3.053 1.00 20.31 H new ATOM 0 HE3 MET A 2 -4.744 1.931 4.052 1.00 20.31 H new ATOM 35 N LEU A 3 -3.061 -2.782 -0.922 1.00 13.42 N ATOM 36 CA LEU A 3 -3.034 -3.858 -1.906 1.00 34.42 C ATOM 37 C LEU A 3 -4.168 -3.703 -2.915 1.00 3.44 C ATOM 38 O LEU A 3 -5.337 -3.620 -2.541 1.00 74.22 O ATOM 39 CB LEU A 3 -3.140 -5.216 -1.208 1.00 50.24 C ATOM 40 CG LEU A 3 -2.453 -6.387 -1.911 1.00 45.24 C ATOM 41 CD1 LEU A 3 -3.067 -6.621 -3.283 1.00 20.54 C ATOM 42 CD2 LEU A 3 -0.957 -6.133 -2.031 1.00 61.05 C ATOM 0 H LEU A 3 -3.491 -3.035 -0.032 1.00 13.42 H new ATOM 0 HA LEU A 3 -2.086 -3.803 -2.441 1.00 34.42 H new ATOM 0 HB2 LEU A 3 -2.719 -5.121 -0.207 1.00 50.24 H new ATOM 0 HB3 LEU A 3 -4.196 -5.459 -1.088 1.00 50.24 H new ATOM 0 HG LEU A 3 -2.603 -7.284 -1.311 1.00 45.24 H new ATOM 0 HD11 LEU A 3 -2.565 -7.458 -3.768 1.00 20.54 H new ATOM 0 HD12 LEU A 3 -4.127 -6.848 -3.173 1.00 20.54 H new ATOM 0 HD13 LEU A 3 -2.949 -5.725 -3.892 1.00 20.54 H new ATOM 0 HD21 LEU A 3 -0.484 -6.977 -2.534 1.00 61.05 H new ATOM 0 HD22 LEU A 3 -0.787 -5.225 -2.609 1.00 61.05 H new ATOM 0 HD23 LEU A 3 -0.527 -6.016 -1.036 1.00 61.05 H new ATOM 54 N ALA A 4 -3.813 -3.665 -4.195 1.00 25.13 N ATOM 55 CA ALA A 4 -4.800 -3.524 -5.258 1.00 1.24 C ATOM 56 C ALA A 4 -5.326 -4.884 -5.703 1.00 30.24 C ATOM 57 O ALA A 4 -4.581 -5.863 -5.755 1.00 30.02 O ATOM 58 CB ALA A 4 -4.200 -2.776 -6.439 1.00 12.51 C ATOM 0 H ALA A 4 -2.849 -3.730 -4.521 1.00 25.13 H new ATOM 0 HA ALA A 4 -5.640 -2.950 -4.866 1.00 1.24 H new ATOM 0 HB1 ALA A 4 -4.948 -2.678 -7.226 1.00 12.51 H new ATOM 0 HB2 ALA A 4 -3.880 -1.785 -6.117 1.00 12.51 H new ATOM 0 HB3 ALA A 4 -3.342 -3.328 -6.821 1.00 12.51 H new ATOM 64 N LYS A 5 -6.615 -4.939 -6.022 1.00 65.31 N ATOM 65 CA LYS A 5 -7.242 -6.179 -6.463 1.00 65.55 C ATOM 66 C LYS A 5 -8.001 -5.970 -7.769 1.00 74.34 C ATOM 67 O LYS A 5 -8.951 -5.190 -7.827 1.00 2.23 O ATOM 68 CB LYS A 5 -8.193 -6.706 -5.386 1.00 43.43 C ATOM 69 CG LYS A 5 -9.266 -5.709 -4.984 1.00 33.44 C ATOM 70 CD LYS A 5 -9.724 -5.931 -3.552 1.00 32.51 C ATOM 71 CE LYS A 5 -10.192 -4.635 -2.909 1.00 10.11 C ATOM 72 NZ LYS A 5 -10.514 -4.816 -1.466 1.00 41.22 N ATOM 0 H LYS A 5 -7.246 -4.138 -5.983 1.00 65.31 H new ATOM 0 HA LYS A 5 -6.455 -6.914 -6.634 1.00 65.55 H new ATOM 0 HB2 LYS A 5 -8.671 -7.616 -5.749 1.00 43.43 H new ATOM 0 HB3 LYS A 5 -7.614 -6.980 -4.504 1.00 43.43 H new ATOM 0 HG2 LYS A 5 -8.880 -4.695 -5.091 1.00 33.44 H new ATOM 0 HG3 LYS A 5 -10.118 -5.799 -5.658 1.00 33.44 H new ATOM 0 HD2 LYS A 5 -10.535 -6.659 -3.537 1.00 32.51 H new ATOM 0 HD3 LYS A 5 -8.906 -6.353 -2.969 1.00 32.51 H new ATOM 0 HE2 LYS A 5 -9.417 -3.876 -3.016 1.00 10.11 H new ATOM 0 HE3 LYS A 5 -11.073 -4.267 -3.434 1.00 10.11 H new ATOM 0 HZ1 LYS A 5 -10.829 -3.910 -1.064 1.00 41.22 H new ATOM 0 HZ2 LYS A 5 -11.271 -5.522 -1.365 1.00 41.22 H new ATOM 0 HZ3 LYS A 5 -9.667 -5.143 -0.960 1.00 41.22 H new ATOM 86 N GLU A 6 -7.577 -6.674 -8.815 1.00 15.32 N ATOM 87 CA GLU A 6 -8.220 -6.564 -10.119 1.00 64.34 C ATOM 88 C GLU A 6 -8.778 -7.913 -10.566 1.00 10.53 C ATOM 89 O GLU A 6 -8.248 -8.965 -10.209 1.00 11.23 O ATOM 90 CB GLU A 6 -7.226 -6.042 -11.159 1.00 52.13 C ATOM 91 CG GLU A 6 -5.991 -6.913 -11.312 1.00 44.12 C ATOM 92 CD GLU A 6 -4.924 -6.266 -12.173 1.00 45.34 C ATOM 93 OE1 GLU A 6 -5.025 -6.358 -13.414 1.00 72.15 O ATOM 94 OE2 GLU A 6 -3.987 -5.666 -11.605 1.00 65.34 O ATOM 0 H GLU A 6 -6.793 -7.325 -8.784 1.00 15.32 H new ATOM 0 HA GLU A 6 -9.047 -5.859 -10.030 1.00 64.34 H new ATOM 0 HB2 GLU A 6 -7.728 -5.966 -12.123 1.00 52.13 H new ATOM 0 HB3 GLU A 6 -6.917 -5.034 -10.880 1.00 52.13 H new ATOM 0 HG2 GLU A 6 -5.577 -7.126 -10.326 1.00 44.12 H new ATOM 0 HG3 GLU A 6 -6.277 -7.869 -11.751 1.00 44.12 H new ATOM 101 N ASP A 7 -9.851 -7.872 -11.348 1.00 12.13 N ATOM 102 CA ASP A 7 -10.482 -9.089 -11.844 1.00 32.42 C ATOM 103 C ASP A 7 -10.137 -9.321 -13.312 1.00 12.13 C ATOM 104 O ASP A 7 -9.571 -8.449 -13.972 1.00 21.43 O ATOM 105 CB ASP A 7 -12.000 -9.010 -11.670 1.00 63.11 C ATOM 106 CG ASP A 7 -12.411 -8.895 -10.215 1.00 44.13 C ATOM 107 OD1 ASP A 7 -12.117 -9.829 -9.440 1.00 34.12 O ATOM 108 OD2 ASP A 7 -13.025 -7.870 -9.852 1.00 64.21 O ATOM 0 H ASP A 7 -10.302 -7.009 -11.652 1.00 12.13 H new ATOM 0 HA ASP A 7 -10.101 -9.929 -11.263 1.00 32.42 H new ATOM 0 HB2 ASP A 7 -12.382 -8.151 -12.221 1.00 63.11 H new ATOM 0 HB3 ASP A 7 -12.459 -9.898 -12.105 1.00 63.11 H new ATOM 113 N TYR A 8 -10.481 -10.501 -13.816 1.00 12.32 N ATOM 114 CA TYR A 8 -10.205 -10.848 -15.205 1.00 22.44 C ATOM 115 C TYR A 8 -10.933 -9.905 -16.158 1.00 21.35 C ATOM 116 O TYR A 8 -10.445 -9.608 -17.248 1.00 42.30 O ATOM 117 CB TYR A 8 -10.621 -12.294 -15.483 1.00 2.21 C ATOM 118 CG TYR A 8 -10.005 -13.295 -14.532 1.00 11.12 C ATOM 119 CD1 TYR A 8 -10.755 -14.343 -14.013 1.00 55.20 C ATOM 120 CD2 TYR A 8 -8.672 -13.193 -14.153 1.00 31.44 C ATOM 121 CE1 TYR A 8 -10.197 -15.259 -13.143 1.00 71.12 C ATOM 122 CE2 TYR A 8 -8.105 -14.106 -13.284 1.00 61.14 C ATOM 123 CZ TYR A 8 -8.872 -15.137 -12.782 1.00 45.20 C ATOM 124 OH TYR A 8 -8.311 -16.048 -11.917 1.00 32.41 O ATOM 0 H TYR A 8 -10.951 -11.233 -13.284 1.00 12.32 H new ATOM 0 HA TYR A 8 -9.133 -10.746 -15.372 1.00 22.44 H new ATOM 0 HB2 TYR A 8 -11.707 -12.369 -15.423 1.00 2.21 H new ATOM 0 HB3 TYR A 8 -10.340 -12.554 -16.503 1.00 2.21 H new ATOM 0 HD1 TYR A 8 -11.793 -14.443 -14.295 1.00 55.20 H new ATOM 0 HD2 TYR A 8 -8.069 -12.387 -14.544 1.00 31.44 H new ATOM 0 HE1 TYR A 8 -10.795 -16.067 -12.748 1.00 71.12 H new ATOM 0 HE2 TYR A 8 -7.067 -14.013 -13.000 1.00 61.14 H new ATOM 0 HH TYR A 8 -8.676 -15.913 -11.018 1.00 32.41 H new ATOM 134 N TYR A 9 -12.103 -9.438 -15.737 1.00 72.24 N ATOM 135 CA TYR A 9 -12.901 -8.530 -16.553 1.00 21.02 C ATOM 136 C TYR A 9 -12.066 -7.341 -17.020 1.00 33.43 C ATOM 137 O TYR A 9 -12.175 -6.906 -18.165 1.00 41.54 O ATOM 138 CB TYR A 9 -14.115 -8.037 -15.764 1.00 53.54 C ATOM 139 CG TYR A 9 -15.002 -9.151 -15.257 1.00 61.42 C ATOM 140 CD1 TYR A 9 -14.892 -9.614 -13.952 1.00 24.40 C ATOM 141 CD2 TYR A 9 -15.951 -9.741 -16.084 1.00 23.15 C ATOM 142 CE1 TYR A 9 -15.699 -10.633 -13.485 1.00 30.31 C ATOM 143 CE2 TYR A 9 -16.764 -10.760 -15.624 1.00 45.45 C ATOM 144 CZ TYR A 9 -16.634 -11.202 -14.325 1.00 25.43 C ATOM 145 OH TYR A 9 -17.441 -12.217 -13.863 1.00 3.43 O ATOM 0 H TYR A 9 -12.520 -9.673 -14.836 1.00 72.24 H new ATOM 0 HA TYR A 9 -13.244 -9.077 -17.431 1.00 21.02 H new ATOM 0 HB2 TYR A 9 -13.770 -7.444 -14.917 1.00 53.54 H new ATOM 0 HB3 TYR A 9 -14.705 -7.374 -16.398 1.00 53.54 H new ATOM 0 HD1 TYR A 9 -14.163 -9.169 -13.291 1.00 24.40 H new ATOM 0 HD2 TYR A 9 -16.055 -9.398 -17.103 1.00 23.15 H new ATOM 0 HE1 TYR A 9 -15.599 -10.982 -12.468 1.00 30.31 H new ATOM 0 HE2 TYR A 9 -17.497 -11.207 -16.279 1.00 45.45 H new ATOM 0 HH TYR A 9 -18.192 -12.344 -14.479 1.00 3.43 H new ATOM 155 N GLN A 10 -11.233 -6.823 -16.123 1.00 14.00 N ATOM 156 CA GLN A 10 -10.380 -5.685 -16.442 1.00 42.24 C ATOM 157 C GLN A 10 -9.205 -6.114 -17.315 1.00 5.53 C ATOM 158 O GLN A 10 -8.828 -5.412 -18.254 1.00 1.21 O ATOM 159 CB GLN A 10 -9.866 -5.030 -15.159 1.00 64.11 C ATOM 160 CG GLN A 10 -10.966 -4.426 -14.301 1.00 44.13 C ATOM 161 CD GLN A 10 -10.511 -4.144 -12.883 1.00 10.41 C ATOM 162 OE1 GLN A 10 -9.514 -3.455 -12.664 1.00 21.23 O ATOM 163 NE2 GLN A 10 -11.242 -4.675 -11.910 1.00 1.01 N ATOM 0 H GLN A 10 -11.131 -7.173 -15.170 1.00 14.00 H new ATOM 0 HA GLN A 10 -10.976 -4.960 -16.997 1.00 42.24 H new ATOM 0 HB2 GLN A 10 -9.326 -5.773 -14.573 1.00 64.11 H new ATOM 0 HB3 GLN A 10 -9.151 -4.250 -15.421 1.00 64.11 H new ATOM 0 HG2 GLN A 10 -11.311 -3.499 -14.759 1.00 44.13 H new ATOM 0 HG3 GLN A 10 -11.818 -5.106 -14.277 1.00 44.13 H new ATOM 0 HE21 GLN A 10 -12.061 -5.240 -12.137 1.00 1.01 H new ATOM 0 HE22 GLN A 10 -10.985 -4.518 -10.935 1.00 1.01 H new ATOM 172 N ILE A 11 -8.629 -7.269 -16.998 1.00 15.31 N ATOM 173 CA ILE A 11 -7.498 -7.791 -17.754 1.00 4.55 C ATOM 174 C ILE A 11 -7.864 -7.998 -19.219 1.00 42.12 C ATOM 175 O ILE A 11 -6.992 -8.040 -20.089 1.00 11.25 O ATOM 176 CB ILE A 11 -6.996 -9.124 -17.168 1.00 12.33 C ATOM 177 CG1 ILE A 11 -6.600 -8.944 -15.701 1.00 21.42 C ATOM 178 CG2 ILE A 11 -5.822 -9.650 -17.979 1.00 24.22 C ATOM 179 CD1 ILE A 11 -6.495 -10.247 -14.940 1.00 21.34 C ATOM 0 H ILE A 11 -8.927 -7.861 -16.223 1.00 15.31 H new ATOM 0 HA ILE A 11 -6.702 -7.050 -17.683 1.00 4.55 H new ATOM 0 HB ILE A 11 -7.804 -9.854 -17.220 1.00 12.33 H new ATOM 0 HG12 ILE A 11 -5.642 -8.426 -15.652 1.00 21.42 H new ATOM 0 HG13 ILE A 11 -7.334 -8.304 -15.211 1.00 21.42 H new ATOM 0 HG21 ILE A 11 -5.478 -10.592 -17.553 1.00 24.22 H new ATOM 0 HG22 ILE A 11 -6.135 -9.811 -19.010 1.00 24.22 H new ATOM 0 HG23 ILE A 11 -5.009 -8.924 -17.956 1.00 24.22 H new ATOM 0 HD11 ILE A 11 -6.211 -10.043 -13.908 1.00 21.34 H new ATOM 0 HD12 ILE A 11 -7.458 -10.757 -14.957 1.00 21.34 H new ATOM 0 HD13 ILE A 11 -5.740 -10.881 -15.406 1.00 21.34 H new ATOM 191 N LEU A 12 -9.159 -8.125 -19.487 1.00 64.53 N ATOM 192 CA LEU A 12 -9.642 -8.327 -20.849 1.00 42.50 C ATOM 193 C LEU A 12 -10.336 -7.073 -21.371 1.00 52.21 C ATOM 194 O LEU A 12 -10.539 -6.919 -22.575 1.00 14.14 O ATOM 195 CB LEU A 12 -10.604 -9.515 -20.900 1.00 2.24 C ATOM 196 CG LEU A 12 -9.962 -10.891 -21.078 1.00 42.04 C ATOM 197 CD1 LEU A 12 -10.993 -11.991 -20.877 1.00 44.04 C ATOM 198 CD2 LEU A 12 -9.319 -11.005 -22.453 1.00 3.02 C ATOM 0 H LEU A 12 -9.893 -8.092 -18.780 1.00 64.53 H new ATOM 0 HA LEU A 12 -8.783 -8.537 -21.486 1.00 42.50 H new ATOM 0 HB2 LEU A 12 -11.187 -9.525 -19.979 1.00 2.24 H new ATOM 0 HB3 LEU A 12 -11.305 -9.354 -21.719 1.00 2.24 H new ATOM 0 HG LEU A 12 -9.184 -11.008 -20.324 1.00 42.04 H new ATOM 0 HD11 LEU A 12 -10.518 -12.963 -21.008 1.00 44.04 H new ATOM 0 HD12 LEU A 12 -11.408 -11.922 -19.871 1.00 44.04 H new ATOM 0 HD13 LEU A 12 -11.794 -11.877 -21.608 1.00 44.04 H new ATOM 0 HD21 LEU A 12 -8.867 -11.991 -22.563 1.00 3.02 H new ATOM 0 HD22 LEU A 12 -10.079 -10.867 -23.222 1.00 3.02 H new ATOM 0 HD23 LEU A 12 -8.551 -10.239 -22.560 1.00 3.02 H new ATOM 210 N GLY A 13 -10.697 -6.177 -20.456 1.00 65.54 N ATOM 211 CA GLY A 13 -11.362 -4.948 -20.844 1.00 52.41 C ATOM 212 C GLY A 13 -12.833 -5.155 -21.146 1.00 51.11 C ATOM 213 O GLY A 13 -13.432 -4.393 -21.906 1.00 21.15 O ATOM 0 H GLY A 13 -10.540 -6.281 -19.454 1.00 65.54 H new ATOM 0 HA2 GLY A 13 -11.258 -4.214 -20.045 1.00 52.41 H new ATOM 0 HA3 GLY A 13 -10.869 -4.533 -21.723 1.00 52.41 H new ATOM 217 N VAL A 14 -13.418 -6.190 -20.551 1.00 63.14 N ATOM 218 CA VAL A 14 -14.828 -6.496 -20.761 1.00 63.12 C ATOM 219 C VAL A 14 -15.640 -6.236 -19.498 1.00 14.11 C ATOM 220 O VAL A 14 -15.134 -6.310 -18.378 1.00 33.10 O ATOM 221 CB VAL A 14 -15.026 -7.961 -21.193 1.00 62.22 C ATOM 222 CG1 VAL A 14 -14.246 -8.253 -22.466 1.00 54.35 C ATOM 223 CG2 VAL A 14 -14.611 -8.906 -20.076 1.00 23.41 C ATOM 0 H VAL A 14 -12.937 -6.831 -19.920 1.00 63.14 H new ATOM 0 HA VAL A 14 -15.179 -5.840 -21.557 1.00 63.12 H new ATOM 0 HB VAL A 14 -16.084 -8.121 -21.399 1.00 62.22 H new ATOM 0 HG11 VAL A 14 -14.398 -9.293 -22.756 1.00 54.35 H new ATOM 0 HG12 VAL A 14 -14.595 -7.599 -23.265 1.00 54.35 H new ATOM 0 HG13 VAL A 14 -13.185 -8.077 -22.291 1.00 54.35 H new ATOM 0 HG21 VAL A 14 -14.757 -9.937 -20.398 1.00 23.41 H new ATOM 0 HG22 VAL A 14 -13.560 -8.747 -19.836 1.00 23.41 H new ATOM 0 HG23 VAL A 14 -15.218 -8.713 -19.192 1.00 23.41 H new ATOM 233 N PRO A 15 -16.932 -5.924 -19.679 1.00 52.32 N ATOM 234 CA PRO A 15 -17.844 -5.647 -18.565 1.00 4.00 C ATOM 235 C PRO A 15 -18.159 -6.897 -17.750 1.00 3.52 C ATOM 236 O PRO A 15 -17.740 -8.000 -18.100 1.00 42.24 O ATOM 237 CB PRO A 15 -19.106 -5.129 -19.259 1.00 63.23 C ATOM 238 CG PRO A 15 -19.059 -5.725 -20.624 1.00 31.42 C ATOM 239 CD PRO A 15 -17.603 -5.817 -20.986 1.00 24.30 C ATOM 0 HA PRO A 15 -17.414 -4.943 -17.852 1.00 4.00 H new ATOM 0 HB2 PRO A 15 -20.006 -5.434 -18.724 1.00 63.23 H new ATOM 0 HB3 PRO A 15 -19.115 -4.040 -19.303 1.00 63.23 H new ATOM 0 HG2 PRO A 15 -19.527 -6.709 -20.636 1.00 31.42 H new ATOM 0 HG3 PRO A 15 -19.600 -5.106 -21.339 1.00 31.42 H new ATOM 0 HD2 PRO A 15 -17.399 -6.684 -21.614 1.00 24.30 H new ATOM 0 HD3 PRO A 15 -17.270 -4.938 -21.538 1.00 24.30 H new ATOM 247 N ARG A 16 -18.899 -6.716 -16.661 1.00 74.02 N ATOM 248 CA ARG A 16 -19.270 -7.829 -15.796 1.00 22.41 C ATOM 249 C ARG A 16 -20.429 -8.621 -16.394 1.00 51.24 C ATOM 250 O ARG A 16 -20.787 -9.688 -15.898 1.00 24.01 O ATOM 251 CB ARG A 16 -19.652 -7.318 -14.406 1.00 4.43 C ATOM 252 CG ARG A 16 -18.535 -6.558 -13.709 1.00 11.43 C ATOM 253 CD ARG A 16 -18.740 -5.054 -13.805 1.00 14.14 C ATOM 254 NE ARG A 16 -20.002 -4.634 -13.201 1.00 32.12 N ATOM 255 CZ ARG A 16 -20.187 -4.516 -11.891 1.00 24.03 C ATOM 256 NH1 ARG A 16 -19.196 -4.784 -11.052 1.00 23.25 N ATOM 257 NH2 ARG A 16 -21.364 -4.128 -11.417 1.00 71.55 N ATOM 0 H ARG A 16 -19.253 -5.809 -16.357 1.00 74.02 H new ATOM 0 HA ARG A 16 -18.408 -8.490 -15.709 1.00 22.41 H new ATOM 0 HB2 ARG A 16 -20.523 -6.668 -14.494 1.00 4.43 H new ATOM 0 HB3 ARG A 16 -19.947 -8.164 -13.785 1.00 4.43 H new ATOM 0 HG2 ARG A 16 -18.491 -6.854 -12.661 1.00 11.43 H new ATOM 0 HG3 ARG A 16 -17.578 -6.825 -14.156 1.00 11.43 H new ATOM 0 HD2 ARG A 16 -17.914 -4.543 -13.311 1.00 14.14 H new ATOM 0 HD3 ARG A 16 -18.721 -4.752 -14.852 1.00 14.14 H new ATOM 0 HE ARG A 16 -20.784 -4.420 -13.819 1.00 32.12 H new ATOM 0 HH11 ARG A 16 -18.289 -5.081 -11.412 1.00 23.25 H new ATOM 0 HH12 ARG A 16 -19.340 -4.693 -10.046 1.00 23.25 H new ATOM 0 HH21 ARG A 16 -22.129 -3.920 -12.059 1.00 71.55 H new ATOM 0 HH22 ARG A 16 -21.504 -4.038 -10.411 1.00 71.55 H new ATOM 271 N ASN A 17 -21.012 -8.089 -17.464 1.00 12.12 N ATOM 272 CA ASN A 17 -22.132 -8.745 -18.129 1.00 42.14 C ATOM 273 C ASN A 17 -21.739 -9.203 -19.531 1.00 0.13 C ATOM 274 O ASN A 17 -22.571 -9.701 -20.288 1.00 33.10 O ATOM 275 CB ASN A 17 -23.331 -7.798 -18.208 1.00 33.23 C ATOM 276 CG ASN A 17 -22.962 -6.443 -18.780 1.00 71.43 C ATOM 277 OD1 ASN A 17 -21.974 -6.311 -19.503 1.00 55.13 O ATOM 278 ND2 ASN A 17 -23.756 -5.429 -18.458 1.00 51.13 N ATOM 0 H ASN A 17 -20.727 -7.206 -17.889 1.00 12.12 H new ATOM 0 HA ASN A 17 -22.408 -9.622 -17.543 1.00 42.14 H new ATOM 0 HB2 ASN A 17 -24.107 -8.250 -18.825 1.00 33.23 H new ATOM 0 HB3 ASN A 17 -23.752 -7.666 -17.211 1.00 33.23 H new ATOM 0 HD21 ASN A 17 -23.558 -4.494 -18.813 1.00 51.13 H new ATOM 0 HD22 ASN A 17 -24.564 -5.585 -17.856 1.00 51.13 H new ATOM 285 N ALA A 18 -20.465 -9.031 -19.868 1.00 51.11 N ATOM 286 CA ALA A 18 -19.961 -9.429 -21.177 1.00 0.24 C ATOM 287 C ALA A 18 -20.299 -10.886 -21.475 1.00 44.52 C ATOM 288 O ALA A 18 -20.583 -11.666 -20.566 1.00 43.35 O ATOM 289 CB ALA A 18 -18.458 -9.207 -21.253 1.00 24.13 C ATOM 0 H ALA A 18 -19.763 -8.619 -19.253 1.00 51.11 H new ATOM 0 HA ALA A 18 -20.447 -8.809 -21.931 1.00 0.24 H new ATOM 0 HB1 ALA A 18 -18.095 -9.508 -22.236 1.00 24.13 H new ATOM 0 HB2 ALA A 18 -18.238 -8.152 -21.093 1.00 24.13 H new ATOM 0 HB3 ALA A 18 -17.963 -9.802 -20.485 1.00 24.13 H new ATOM 295 N SER A 19 -20.266 -11.245 -22.754 1.00 73.44 N ATOM 296 CA SER A 19 -20.574 -12.608 -23.173 1.00 65.01 C ATOM 297 C SER A 19 -19.308 -13.340 -23.610 1.00 34.54 C ATOM 298 O SER A 19 -18.299 -12.716 -23.936 1.00 73.33 O ATOM 299 CB SER A 19 -21.590 -12.596 -24.317 1.00 3.23 C ATOM 300 OG SER A 19 -22.723 -11.814 -23.983 1.00 53.42 O ATOM 0 H SER A 19 -20.029 -10.612 -23.518 1.00 73.44 H new ATOM 0 HA SER A 19 -21.003 -13.136 -22.321 1.00 65.01 H new ATOM 0 HB2 SER A 19 -21.123 -12.199 -25.218 1.00 3.23 H new ATOM 0 HB3 SER A 19 -21.901 -13.616 -24.542 1.00 3.23 H new ATOM 0 HG SER A 19 -23.357 -11.820 -24.730 1.00 53.42 H new ATOM 306 N GLN A 20 -19.372 -14.668 -23.612 1.00 22.10 N ATOM 307 CA GLN A 20 -18.231 -15.486 -24.007 1.00 74.14 C ATOM 308 C GLN A 20 -17.754 -15.114 -25.407 1.00 70.13 C ATOM 309 O GLN A 20 -16.580 -15.279 -25.739 1.00 3.32 O ATOM 310 CB GLN A 20 -18.600 -16.970 -23.959 1.00 10.11 C ATOM 311 CG GLN A 20 -19.301 -17.381 -22.674 1.00 51.12 C ATOM 312 CD GLN A 20 -18.666 -16.770 -21.441 1.00 45.42 C ATOM 313 OE1 GLN A 20 -17.620 -17.412 -20.934 1.00 34.53 O flip ATOM 314 NE2 GLN A 20 -19.109 -15.731 -20.950 1.00 2.43 N flip ATOM 0 H GLN A 20 -20.201 -15.200 -23.345 1.00 22.10 H new ATOM 0 HA GLN A 20 -17.420 -15.297 -23.304 1.00 74.14 H new ATOM 0 HB2 GLN A 20 -19.246 -17.203 -24.806 1.00 10.11 H new ATOM 0 HB3 GLN A 20 -17.694 -17.565 -24.075 1.00 10.11 H new ATOM 0 HG2 GLN A 20 -20.348 -17.082 -22.724 1.00 51.12 H new ATOM 0 HG3 GLN A 20 -19.283 -18.467 -22.587 1.00 51.12 H new ATOM 0 HE21 GLN A 20 -19.915 -15.271 -21.372 1.00 2.43 H new ATOM 0 HE22 GLN A 20 -18.670 -15.331 -20.121 1.00 2.43 H new ATOM 323 N LYS A 21 -18.672 -14.612 -26.226 1.00 51.01 N ATOM 324 CA LYS A 21 -18.346 -14.215 -27.591 1.00 30.32 C ATOM 325 C LYS A 21 -17.640 -12.863 -27.610 1.00 64.54 C ATOM 326 O LYS A 21 -16.624 -12.694 -28.284 1.00 70.11 O ATOM 327 CB LYS A 21 -19.616 -14.151 -28.442 1.00 61.45 C ATOM 328 CG LYS A 21 -20.223 -15.513 -28.732 1.00 33.22 C ATOM 329 CD LYS A 21 -19.459 -16.244 -29.823 1.00 55.14 C ATOM 330 CE LYS A 21 -19.846 -15.741 -31.206 1.00 22.30 C ATOM 331 NZ LYS A 21 -21.147 -16.307 -31.658 1.00 62.14 N ATOM 0 H LYS A 21 -19.649 -14.470 -25.968 1.00 51.01 H new ATOM 0 HA LYS A 21 -17.673 -14.963 -28.010 1.00 30.32 H new ATOM 0 HB2 LYS A 21 -20.355 -13.534 -27.931 1.00 61.45 H new ATOM 0 HB3 LYS A 21 -19.386 -13.656 -29.386 1.00 61.45 H new ATOM 0 HG2 LYS A 21 -20.223 -16.113 -27.822 1.00 33.22 H new ATOM 0 HG3 LYS A 21 -21.263 -15.392 -29.034 1.00 33.22 H new ATOM 0 HD2 LYS A 21 -18.388 -16.109 -29.672 1.00 55.14 H new ATOM 0 HD3 LYS A 21 -19.658 -17.313 -29.754 1.00 55.14 H new ATOM 0 HE2 LYS A 21 -19.908 -14.653 -31.192 1.00 22.30 H new ATOM 0 HE3 LYS A 21 -19.067 -16.007 -31.920 1.00 22.30 H new ATOM 0 HZ1 LYS A 21 -21.367 -15.954 -32.611 1.00 62.14 H new ATOM 0 HZ2 LYS A 21 -21.085 -17.345 -31.679 1.00 62.14 H new ATOM 0 HZ3 LYS A 21 -21.899 -16.018 -31.000 1.00 62.14 H new ATOM 345 N GLU A 22 -18.184 -11.906 -26.866 1.00 44.41 N ATOM 346 CA GLU A 22 -17.604 -10.569 -26.799 1.00 23.43 C ATOM 347 C GLU A 22 -16.205 -10.614 -26.191 1.00 45.43 C ATOM 348 O GLU A 22 -15.348 -9.792 -26.519 1.00 51.22 O ATOM 349 CB GLU A 22 -18.500 -9.641 -25.976 1.00 22.42 C ATOM 350 CG GLU A 22 -17.963 -8.225 -25.857 1.00 2.12 C ATOM 351 CD GLU A 22 -18.186 -7.409 -27.115 1.00 43.12 C ATOM 352 OE1 GLU A 22 -19.157 -6.625 -27.149 1.00 10.54 O ATOM 353 OE2 GLU A 22 -17.390 -7.554 -28.066 1.00 63.42 O ATOM 0 H GLU A 22 -19.024 -12.031 -26.302 1.00 44.41 H new ATOM 0 HA GLU A 22 -17.528 -10.182 -27.815 1.00 23.43 H new ATOM 0 HB2 GLU A 22 -19.490 -9.608 -26.431 1.00 22.42 H new ATOM 0 HB3 GLU A 22 -18.622 -10.060 -24.977 1.00 22.42 H new ATOM 0 HG2 GLU A 22 -18.445 -7.727 -25.015 1.00 2.12 H new ATOM 0 HG3 GLU A 22 -16.896 -8.262 -25.637 1.00 2.12 H new ATOM 360 N ILE A 23 -15.981 -11.578 -25.305 1.00 11.43 N ATOM 361 CA ILE A 23 -14.687 -11.729 -24.652 1.00 23.41 C ATOM 362 C ILE A 23 -13.612 -12.143 -25.652 1.00 31.45 C ATOM 363 O ILE A 23 -12.447 -11.769 -25.518 1.00 62.22 O ATOM 364 CB ILE A 23 -14.746 -12.771 -23.519 1.00 13.33 C ATOM 365 CG1 ILE A 23 -15.742 -12.330 -22.444 1.00 31.32 C ATOM 366 CG2 ILE A 23 -13.365 -12.977 -22.916 1.00 22.20 C ATOM 367 CD1 ILE A 23 -16.425 -13.484 -21.743 1.00 65.21 C ATOM 0 H ILE A 23 -16.679 -12.266 -25.023 1.00 11.43 H new ATOM 0 HA ILE A 23 -14.432 -10.758 -24.228 1.00 23.41 H new ATOM 0 HB ILE A 23 -15.084 -13.720 -23.935 1.00 13.33 H new ATOM 0 HG12 ILE A 23 -15.220 -11.723 -21.704 1.00 31.32 H new ATOM 0 HG13 ILE A 23 -16.500 -11.694 -22.901 1.00 31.32 H new ATOM 0 HG21 ILE A 23 -13.423 -13.716 -22.117 1.00 22.20 H new ATOM 0 HG22 ILE A 23 -12.680 -13.330 -23.687 1.00 22.20 H new ATOM 0 HG23 ILE A 23 -13.000 -12.033 -22.511 1.00 22.20 H new ATOM 0 HD11 ILE A 23 -17.117 -13.097 -20.995 1.00 65.21 H new ATOM 0 HD12 ILE A 23 -16.975 -14.079 -22.472 1.00 65.21 H new ATOM 0 HD13 ILE A 23 -15.676 -14.109 -21.256 1.00 65.21 H new ATOM 379 N LYS A 24 -14.012 -12.917 -26.655 1.00 21.21 N ATOM 380 CA LYS A 24 -13.085 -13.381 -27.681 1.00 10.43 C ATOM 381 C LYS A 24 -12.491 -12.204 -28.449 1.00 23.35 C ATOM 382 O LYS A 24 -11.300 -12.191 -28.761 1.00 60.43 O ATOM 383 CB LYS A 24 -13.796 -14.329 -28.649 1.00 51.51 C ATOM 384 CG LYS A 24 -13.976 -15.734 -28.102 1.00 74.02 C ATOM 385 CD LYS A 24 -14.797 -16.598 -29.045 1.00 62.30 C ATOM 386 CE LYS A 24 -13.958 -17.106 -30.208 1.00 20.23 C ATOM 387 NZ LYS A 24 -14.606 -18.255 -30.899 1.00 23.34 N ATOM 0 H LYS A 24 -14.973 -13.237 -26.780 1.00 21.21 H new ATOM 0 HA LYS A 24 -12.274 -13.917 -27.188 1.00 10.43 H new ATOM 0 HB2 LYS A 24 -14.774 -13.916 -28.896 1.00 51.51 H new ATOM 0 HB3 LYS A 24 -13.228 -14.380 -29.578 1.00 51.51 H new ATOM 0 HG2 LYS A 24 -13.000 -16.192 -27.944 1.00 74.02 H new ATOM 0 HG3 LYS A 24 -14.467 -15.687 -27.130 1.00 74.02 H new ATOM 0 HD2 LYS A 24 -15.211 -17.444 -28.497 1.00 62.30 H new ATOM 0 HD3 LYS A 24 -15.640 -16.022 -29.427 1.00 62.30 H new ATOM 0 HE2 LYS A 24 -13.798 -16.297 -30.921 1.00 20.23 H new ATOM 0 HE3 LYS A 24 -12.976 -17.408 -29.843 1.00 20.23 H new ATOM 0 HZ1 LYS A 24 -14.003 -18.572 -31.685 1.00 23.34 H new ATOM 0 HZ2 LYS A 24 -14.736 -19.037 -30.225 1.00 23.34 H new ATOM 0 HZ3 LYS A 24 -15.532 -17.960 -31.270 1.00 23.34 H new ATOM 401 N LYS A 25 -13.327 -11.216 -28.749 1.00 30.35 N ATOM 402 CA LYS A 25 -12.885 -10.033 -29.477 1.00 64.53 C ATOM 403 C LYS A 25 -11.931 -9.198 -28.630 1.00 4.40 C ATOM 404 O LYS A 25 -10.865 -8.793 -29.095 1.00 13.05 O ATOM 405 CB LYS A 25 -14.089 -9.186 -29.894 1.00 62.24 C ATOM 406 CG LYS A 25 -15.019 -9.889 -30.869 1.00 4.35 C ATOM 407 CD LYS A 25 -16.463 -9.462 -30.667 1.00 30.00 C ATOM 408 CE LYS A 25 -16.736 -8.105 -31.297 1.00 75.13 C ATOM 409 NZ LYS A 25 -18.184 -7.756 -31.256 1.00 45.20 N ATOM 0 H LYS A 25 -14.316 -11.211 -28.499 1.00 30.35 H new ATOM 0 HA LYS A 25 -12.355 -10.364 -30.370 1.00 64.53 H new ATOM 0 HB2 LYS A 25 -14.653 -8.908 -29.004 1.00 62.24 H new ATOM 0 HB3 LYS A 25 -13.732 -8.261 -30.348 1.00 62.24 H new ATOM 0 HG2 LYS A 25 -14.712 -9.666 -31.891 1.00 4.35 H new ATOM 0 HG3 LYS A 25 -14.936 -10.968 -30.739 1.00 4.35 H new ATOM 0 HD2 LYS A 25 -17.128 -10.207 -31.103 1.00 30.00 H new ATOM 0 HD3 LYS A 25 -16.686 -9.421 -29.601 1.00 30.00 H new ATOM 0 HE2 LYS A 25 -16.163 -7.340 -30.774 1.00 75.13 H new ATOM 0 HE3 LYS A 25 -16.392 -8.109 -32.331 1.00 75.13 H new ATOM 0 HZ1 LYS A 25 -18.329 -6.824 -31.695 1.00 45.20 H new ATOM 0 HZ2 LYS A 25 -18.729 -8.473 -31.777 1.00 45.20 H new ATOM 0 HZ3 LYS A 25 -18.506 -7.727 -30.268 1.00 45.20 H new ATOM 423 N ALA A 26 -12.320 -8.944 -27.385 1.00 23.12 N ATOM 424 CA ALA A 26 -11.497 -8.160 -26.472 1.00 53.31 C ATOM 425 C ALA A 26 -10.176 -8.863 -26.182 1.00 22.12 C ATOM 426 O ALA A 26 -9.156 -8.216 -25.942 1.00 14.35 O ATOM 427 CB ALA A 26 -12.252 -7.894 -25.178 1.00 24.13 C ATOM 0 H ALA A 26 -13.200 -9.270 -26.985 1.00 23.12 H new ATOM 0 HA ALA A 26 -11.273 -7.207 -26.951 1.00 53.31 H new ATOM 0 HB1 ALA A 26 -11.626 -7.308 -24.505 1.00 24.13 H new ATOM 0 HB2 ALA A 26 -13.166 -7.342 -25.397 1.00 24.13 H new ATOM 0 HB3 ALA A 26 -12.506 -8.842 -24.703 1.00 24.13 H new ATOM 433 N TYR A 27 -10.200 -10.191 -26.205 1.00 14.03 N ATOM 434 CA TYR A 27 -9.005 -10.982 -25.941 1.00 25.33 C ATOM 435 C TYR A 27 -8.032 -10.907 -27.114 1.00 23.45 C ATOM 436 O TYR A 27 -6.815 -10.911 -26.927 1.00 23.42 O ATOM 437 CB TYR A 27 -9.382 -12.440 -25.669 1.00 5.54 C ATOM 438 CG TYR A 27 -8.191 -13.369 -25.592 1.00 12.32 C ATOM 439 CD1 TYR A 27 -7.143 -13.116 -24.715 1.00 13.20 C ATOM 440 CD2 TYR A 27 -8.114 -14.499 -26.396 1.00 42.33 C ATOM 441 CE1 TYR A 27 -6.053 -13.961 -24.642 1.00 33.53 C ATOM 442 CE2 TYR A 27 -7.028 -15.351 -26.329 1.00 15.33 C ATOM 443 CZ TYR A 27 -6.001 -15.078 -25.450 1.00 42.32 C ATOM 444 OH TYR A 27 -4.917 -15.923 -25.381 1.00 33.21 O ATOM 0 H TYR A 27 -11.035 -10.742 -26.404 1.00 14.03 H new ATOM 0 HA TYR A 27 -8.515 -10.570 -25.059 1.00 25.33 H new ATOM 0 HB2 TYR A 27 -9.936 -12.495 -24.732 1.00 5.54 H new ATOM 0 HB3 TYR A 27 -10.052 -12.786 -26.456 1.00 5.54 H new ATOM 0 HD1 TYR A 27 -7.182 -12.244 -24.080 1.00 13.20 H new ATOM 0 HD2 TYR A 27 -8.917 -14.716 -27.085 1.00 42.33 H new ATOM 0 HE1 TYR A 27 -5.246 -13.749 -23.956 1.00 33.53 H new ATOM 0 HE2 TYR A 27 -6.984 -16.225 -26.961 1.00 15.33 H new ATOM 0 HH TYR A 27 -5.037 -16.661 -26.014 1.00 33.21 H new ATOM 454 N TYR A 28 -8.578 -10.838 -28.323 1.00 24.44 N ATOM 455 CA TYR A 28 -7.760 -10.764 -29.527 1.00 64.23 C ATOM 456 C TYR A 28 -7.193 -9.360 -29.716 1.00 31.24 C ATOM 457 O TYR A 28 -6.003 -9.190 -29.977 1.00 63.22 O ATOM 458 CB TYR A 28 -8.583 -11.163 -30.753 1.00 41.33 C ATOM 459 CG TYR A 28 -7.834 -11.016 -32.059 1.00 35.41 C ATOM 460 CD1 TYR A 28 -8.309 -10.183 -33.065 1.00 33.52 C ATOM 461 CD2 TYR A 28 -6.653 -11.711 -32.287 1.00 74.43 C ATOM 462 CE1 TYR A 28 -7.629 -10.047 -34.260 1.00 34.14 C ATOM 463 CE2 TYR A 28 -5.966 -11.580 -33.478 1.00 71.03 C ATOM 464 CZ TYR A 28 -6.458 -10.747 -34.461 1.00 51.04 C ATOM 465 OH TYR A 28 -5.777 -10.614 -35.650 1.00 31.52 O ATOM 0 H TYR A 28 -9.583 -10.832 -28.495 1.00 24.44 H new ATOM 0 HA TYR A 28 -6.928 -11.459 -29.414 1.00 64.23 H new ATOM 0 HB2 TYR A 28 -8.905 -12.199 -30.643 1.00 41.33 H new ATOM 0 HB3 TYR A 28 -9.484 -10.551 -30.790 1.00 41.33 H new ATOM 0 HD1 TYR A 28 -9.225 -9.633 -32.910 1.00 33.52 H new ATOM 0 HD2 TYR A 28 -6.265 -12.365 -31.520 1.00 74.43 H new ATOM 0 HE1 TYR A 28 -8.012 -9.396 -35.032 1.00 34.14 H new ATOM 0 HE2 TYR A 28 -5.049 -12.127 -33.639 1.00 71.03 H new ATOM 0 HH TYR A 28 -4.972 -11.173 -35.630 1.00 31.52 H new ATOM 475 N GLN A 29 -8.056 -8.358 -29.580 1.00 24.24 N ATOM 476 CA GLN A 29 -7.642 -6.969 -29.735 1.00 1.44 C ATOM 477 C GLN A 29 -6.558 -6.607 -28.724 1.00 72.31 C ATOM 478 O GLN A 29 -5.703 -5.761 -28.990 1.00 74.34 O ATOM 479 CB GLN A 29 -8.842 -6.035 -29.568 1.00 74.42 C ATOM 480 CG GLN A 29 -9.241 -5.809 -28.119 1.00 21.22 C ATOM 481 CD GLN A 29 -8.645 -4.541 -27.541 1.00 12.51 C ATOM 482 OE1 GLN A 29 -7.552 -4.124 -27.924 1.00 43.23 O ATOM 483 NE2 GLN A 29 -9.363 -3.918 -26.613 1.00 61.40 N ATOM 0 H GLN A 29 -9.045 -8.482 -29.363 1.00 24.24 H new ATOM 0 HA GLN A 29 -7.233 -6.849 -30.738 1.00 1.44 H new ATOM 0 HB2 GLN A 29 -8.610 -5.074 -30.026 1.00 74.42 H new ATOM 0 HB3 GLN A 29 -9.692 -6.449 -30.110 1.00 74.42 H new ATOM 0 HG2 GLN A 29 -10.328 -5.760 -28.049 1.00 21.22 H new ATOM 0 HG3 GLN A 29 -8.921 -6.662 -27.521 1.00 21.22 H new ATOM 0 HE21 GLN A 29 -10.264 -4.299 -26.325 1.00 61.40 H new ATOM 0 HE22 GLN A 29 -9.013 -3.059 -26.189 1.00 61.40 H new ATOM 492 N LEU A 30 -6.599 -7.253 -27.564 1.00 13.11 N ATOM 493 CA LEU A 30 -5.621 -7.000 -26.512 1.00 44.52 C ATOM 494 C LEU A 30 -4.282 -7.650 -26.846 1.00 42.31 C ATOM 495 O LEU A 30 -3.223 -7.061 -26.629 1.00 33.05 O ATOM 496 CB LEU A 30 -6.136 -7.526 -25.171 1.00 43.34 C ATOM 497 CG LEU A 30 -6.537 -6.467 -24.144 1.00 53.53 C ATOM 498 CD1 LEU A 30 -7.504 -5.467 -24.759 1.00 14.32 C ATOM 499 CD2 LEU A 30 -7.153 -7.121 -22.916 1.00 62.01 C ATOM 0 H LEU A 30 -7.299 -7.956 -27.328 1.00 13.11 H new ATOM 0 HA LEU A 30 -5.473 -5.923 -26.439 1.00 44.52 H new ATOM 0 HB2 LEU A 30 -6.999 -8.164 -25.361 1.00 43.34 H new ATOM 0 HB3 LEU A 30 -5.364 -8.157 -24.730 1.00 43.34 H new ATOM 0 HG LEU A 30 -5.640 -5.931 -23.834 1.00 53.53 H new ATOM 0 HD11 LEU A 30 -7.779 -4.721 -24.014 1.00 14.32 H new ATOM 0 HD12 LEU A 30 -7.028 -4.975 -25.607 1.00 14.32 H new ATOM 0 HD13 LEU A 30 -8.400 -5.988 -25.098 1.00 14.32 H new ATOM 0 HD21 LEU A 30 -7.432 -6.352 -22.196 1.00 62.01 H new ATOM 0 HD22 LEU A 30 -8.040 -7.683 -23.209 1.00 62.01 H new ATOM 0 HD23 LEU A 30 -6.429 -7.797 -22.462 1.00 62.01 H new ATOM 511 N ALA A 31 -4.337 -8.866 -27.378 1.00 30.52 N ATOM 512 CA ALA A 31 -3.129 -9.595 -27.746 1.00 53.20 C ATOM 513 C ALA A 31 -2.291 -8.800 -28.741 1.00 41.14 C ATOM 514 O ALA A 31 -1.065 -8.753 -28.638 1.00 41.24 O ATOM 515 CB ALA A 31 -3.489 -10.955 -28.324 1.00 71.41 C ATOM 0 H ALA A 31 -5.205 -9.368 -27.564 1.00 30.52 H new ATOM 0 HA ALA A 31 -2.534 -9.742 -26.845 1.00 53.20 H new ATOM 0 HB1 ALA A 31 -2.578 -11.488 -28.594 1.00 71.41 H new ATOM 0 HB2 ALA A 31 -4.040 -11.532 -27.581 1.00 71.41 H new ATOM 0 HB3 ALA A 31 -4.108 -10.821 -29.211 1.00 71.41 H new ATOM 521 N LYS A 32 -2.959 -8.177 -29.706 1.00 12.42 N ATOM 522 CA LYS A 32 -2.276 -7.383 -30.721 1.00 15.35 C ATOM 523 C LYS A 32 -1.518 -6.222 -30.084 1.00 61.41 C ATOM 524 O LYS A 32 -0.599 -5.664 -30.684 1.00 54.23 O ATOM 525 CB LYS A 32 -3.283 -6.849 -31.742 1.00 40.42 C ATOM 526 CG LYS A 32 -3.892 -7.930 -32.618 1.00 51.53 C ATOM 527 CD LYS A 32 -5.326 -7.599 -32.996 1.00 52.32 C ATOM 528 CE LYS A 32 -5.408 -6.308 -33.797 1.00 60.20 C ATOM 529 NZ LYS A 32 -6.738 -6.141 -34.445 1.00 72.13 N ATOM 0 H LYS A 32 -3.974 -8.207 -29.807 1.00 12.42 H new ATOM 0 HA LYS A 32 -1.559 -8.027 -31.229 1.00 15.35 H new ATOM 0 HB2 LYS A 32 -4.082 -6.328 -31.214 1.00 40.42 H new ATOM 0 HB3 LYS A 32 -2.789 -6.114 -32.377 1.00 40.42 H new ATOM 0 HG2 LYS A 32 -3.294 -8.047 -33.522 1.00 51.53 H new ATOM 0 HG3 LYS A 32 -3.864 -8.884 -32.092 1.00 51.53 H new ATOM 0 HD2 LYS A 32 -5.748 -8.418 -33.579 1.00 52.32 H new ATOM 0 HD3 LYS A 32 -5.929 -7.507 -32.093 1.00 52.32 H new ATOM 0 HE2 LYS A 32 -5.215 -5.460 -33.140 1.00 60.20 H new ATOM 0 HE3 LYS A 32 -4.629 -6.304 -34.560 1.00 60.20 H new ATOM 0 HZ1 LYS A 32 -6.754 -5.250 -34.981 1.00 72.13 H new ATOM 0 HZ2 LYS A 32 -6.912 -6.937 -35.091 1.00 72.13 H new ATOM 0 HZ3 LYS A 32 -7.479 -6.119 -33.716 1.00 72.13 H new ATOM 543 N LYS A 33 -1.907 -5.865 -28.865 1.00 23.22 N ATOM 544 CA LYS A 33 -1.262 -4.773 -28.145 1.00 30.31 C ATOM 545 C LYS A 33 0.033 -5.243 -27.490 1.00 61.12 C ATOM 546 O LYS A 33 1.027 -4.517 -27.467 1.00 1.12 O ATOM 547 CB LYS A 33 -2.207 -4.208 -27.082 1.00 50.54 C ATOM 548 CG LYS A 33 -3.614 -3.951 -27.594 1.00 60.41 C ATOM 549 CD LYS A 33 -4.313 -2.872 -26.786 1.00 14.44 C ATOM 550 CE LYS A 33 -4.121 -1.497 -27.408 1.00 13.02 C ATOM 551 NZ LYS A 33 -4.767 -1.399 -28.746 1.00 52.30 N ATOM 0 H LYS A 33 -2.666 -6.316 -28.354 1.00 23.22 H new ATOM 0 HA LYS A 33 -1.022 -3.989 -28.863 1.00 30.31 H new ATOM 0 HB2 LYS A 33 -2.256 -4.904 -26.244 1.00 50.54 H new ATOM 0 HB3 LYS A 33 -1.793 -3.276 -26.698 1.00 50.54 H new ATOM 0 HG2 LYS A 33 -3.572 -3.653 -28.642 1.00 60.41 H new ATOM 0 HG3 LYS A 33 -4.193 -4.873 -27.548 1.00 60.41 H new ATOM 0 HD2 LYS A 33 -5.377 -3.097 -26.720 1.00 14.44 H new ATOM 0 HD3 LYS A 33 -3.924 -2.869 -25.768 1.00 14.44 H new ATOM 0 HE2 LYS A 33 -4.538 -0.738 -26.747 1.00 13.02 H new ATOM 0 HE3 LYS A 33 -3.056 -1.287 -27.503 1.00 13.02 H new ATOM 0 HZ1 LYS A 33 -5.023 -0.409 -28.936 1.00 52.30 H new ATOM 0 HZ2 LYS A 33 -4.105 -1.732 -29.476 1.00 52.30 H new ATOM 0 HZ3 LYS A 33 -5.624 -1.988 -28.762 1.00 52.30 H new ATOM 565 N TYR A 34 0.015 -6.461 -26.961 1.00 31.31 N ATOM 566 CA TYR A 34 1.188 -7.027 -26.305 1.00 72.32 C ATOM 567 C TYR A 34 1.893 -8.027 -27.217 1.00 54.22 C ATOM 568 O TYR A 34 2.639 -8.889 -26.753 1.00 63.32 O ATOM 569 CB TYR A 34 0.787 -7.709 -24.996 1.00 73.20 C ATOM 570 CG TYR A 34 0.114 -6.780 -24.011 1.00 34.40 C ATOM 571 CD1 TYR A 34 0.856 -6.082 -23.067 1.00 13.44 C ATOM 572 CD2 TYR A 34 -1.264 -6.602 -24.024 1.00 32.34 C ATOM 573 CE1 TYR A 34 0.245 -5.232 -22.164 1.00 61.41 C ATOM 574 CE2 TYR A 34 -1.883 -5.754 -23.126 1.00 31.20 C ATOM 575 CZ TYR A 34 -1.124 -5.072 -22.198 1.00 54.31 C ATOM 576 OH TYR A 34 -1.737 -4.227 -21.301 1.00 53.02 O ATOM 0 H TYR A 34 -0.799 -7.076 -26.973 1.00 31.31 H new ATOM 0 HA TYR A 34 1.879 -6.213 -26.086 1.00 72.32 H new ATOM 0 HB2 TYR A 34 0.115 -8.538 -25.219 1.00 73.20 H new ATOM 0 HB3 TYR A 34 1.676 -8.136 -24.531 1.00 73.20 H new ATOM 0 HD1 TYR A 34 1.929 -6.205 -23.038 1.00 13.44 H new ATOM 0 HD2 TYR A 34 -1.861 -7.136 -24.748 1.00 32.34 H new ATOM 0 HE1 TYR A 34 0.837 -4.696 -21.436 1.00 61.41 H new ATOM 0 HE2 TYR A 34 -2.955 -5.626 -23.151 1.00 31.20 H new ATOM 0 HH TYR A 34 -2.704 -4.227 -21.460 1.00 53.02 H new ATOM 586 N HIS A 35 1.650 -7.904 -28.518 1.00 42.24 N ATOM 587 CA HIS A 35 2.262 -8.795 -29.498 1.00 1.04 C ATOM 588 C HIS A 35 3.783 -8.685 -29.456 1.00 63.40 C ATOM 589 O HIS A 35 4.346 -7.712 -28.954 1.00 64.33 O ATOM 590 CB HIS A 35 1.754 -8.469 -30.902 1.00 71.44 C ATOM 591 CG HIS A 35 0.785 -9.478 -31.438 1.00 22.53 C ATOM 592 ND1 HIS A 35 -0.006 -10.372 -30.799 1.00 32.12 N flip ATOM 593 CD2 HIS A 35 0.547 -9.652 -32.785 1.00 12.40 C flip ATOM 594 CE1 HIS A 35 -0.702 -11.061 -31.762 1.00 64.13 C flip ATOM 595 NE2 HIS A 35 -0.351 -10.607 -32.951 1.00 11.44 N flip ATOM 0 H HIS A 35 1.034 -7.196 -28.918 1.00 42.24 H new ATOM 0 HA HIS A 35 1.982 -9.818 -29.247 1.00 1.04 H new ATOM 0 HB2 HIS A 35 1.276 -7.490 -30.888 1.00 71.44 H new ATOM 0 HB3 HIS A 35 2.605 -8.399 -31.580 1.00 71.44 H new ATOM 0 HD1 HIS A 35 -0.073 -10.508 -29.790 1.00 32.12 H new ATOM 0 HD2 HIS A 35 1.020 -9.095 -33.580 1.00 12.40 H new ATOM 0 HE1 HIS A 35 -1.420 -11.846 -31.577 1.00 64.13 H new ATOM 603 N PRO A 36 4.466 -9.707 -29.995 1.00 13.23 N ATOM 604 CA PRO A 36 5.931 -9.749 -30.031 1.00 54.50 C ATOM 605 C PRO A 36 6.516 -8.721 -30.994 1.00 21.31 C ATOM 606 O PRO A 36 7.719 -8.459 -30.981 1.00 11.03 O ATOM 607 CB PRO A 36 6.233 -11.169 -30.515 1.00 41.23 C ATOM 608 CG PRO A 36 5.023 -11.572 -31.285 1.00 20.31 C ATOM 609 CD PRO A 36 3.860 -10.899 -30.610 1.00 73.44 C ATOM 0 HA PRO A 36 6.370 -9.512 -29.062 1.00 54.50 H new ATOM 0 HB2 PRO A 36 7.126 -11.193 -31.140 1.00 41.23 H new ATOM 0 HB3 PRO A 36 6.412 -11.843 -29.677 1.00 41.23 H new ATOM 0 HG2 PRO A 36 5.102 -11.262 -32.327 1.00 20.31 H new ATOM 0 HG3 PRO A 36 4.902 -12.655 -31.283 1.00 20.31 H new ATOM 0 HD2 PRO A 36 3.081 -10.631 -31.324 1.00 73.44 H new ATOM 0 HD3 PRO A 36 3.399 -11.546 -29.864 1.00 73.44 H new ATOM 617 N ASP A 37 5.659 -8.143 -31.828 1.00 13.14 N ATOM 618 CA ASP A 37 6.091 -7.143 -32.797 1.00 1.33 C ATOM 619 C ASP A 37 6.289 -5.787 -32.126 1.00 43.35 C ATOM 620 O ASP A 37 6.977 -4.914 -32.657 1.00 2.20 O ATOM 621 CB ASP A 37 5.069 -7.022 -33.928 1.00 14.13 C ATOM 622 CG ASP A 37 4.776 -8.355 -34.588 1.00 55.30 C ATOM 623 OD1 ASP A 37 5.645 -8.851 -35.334 1.00 62.54 O ATOM 624 OD2 ASP A 37 3.677 -8.902 -34.358 1.00 11.52 O ATOM 0 H ASP A 37 4.661 -8.350 -31.852 1.00 13.14 H new ATOM 0 HA ASP A 37 7.045 -7.465 -33.214 1.00 1.33 H new ATOM 0 HB2 ASP A 37 4.143 -6.604 -33.534 1.00 14.13 H new ATOM 0 HB3 ASP A 37 5.441 -6.323 -34.677 1.00 14.13 H new ATOM 629 N THR A 38 5.681 -5.616 -30.957 1.00 11.23 N ATOM 630 CA THR A 38 5.788 -4.366 -30.215 1.00 3.11 C ATOM 631 C THR A 38 6.639 -4.542 -28.962 1.00 53.50 C ATOM 632 O THR A 38 6.694 -3.657 -28.109 1.00 43.43 O ATOM 633 CB THR A 38 4.401 -3.832 -29.809 1.00 63.44 C ATOM 634 OG1 THR A 38 3.876 -4.607 -28.726 1.00 31.21 O ATOM 635 CG2 THR A 38 3.438 -3.879 -30.986 1.00 45.33 C ATOM 0 H THR A 38 5.109 -6.328 -30.503 1.00 11.23 H new ATOM 0 HA THR A 38 6.266 -3.645 -30.878 1.00 3.11 H new ATOM 0 HB THR A 38 4.513 -2.795 -29.492 1.00 63.44 H new ATOM 0 HG1 THR A 38 4.052 -5.557 -28.888 1.00 31.21 H new ATOM 0 HG21 THR A 38 2.465 -3.497 -30.676 1.00 45.33 H new ATOM 0 HG22 THR A 38 3.826 -3.265 -31.799 1.00 45.33 H new ATOM 0 HG23 THR A 38 3.331 -4.908 -31.328 1.00 45.33 H new ATOM 643 N ASN A 39 7.301 -5.689 -28.858 1.00 34.42 N ATOM 644 CA ASN A 39 8.149 -5.981 -27.708 1.00 42.40 C ATOM 645 C ASN A 39 9.588 -5.544 -27.969 1.00 73.31 C ATOM 646 O ASN A 39 10.504 -5.916 -27.236 1.00 0.34 O ATOM 647 CB ASN A 39 8.109 -7.475 -27.384 1.00 32.34 C ATOM 648 CG ASN A 39 7.016 -7.822 -26.391 1.00 74.25 C ATOM 649 OD1 ASN A 39 7.257 -8.512 -25.401 1.00 2.45 O ATOM 650 ND2 ASN A 39 5.805 -7.345 -26.655 1.00 13.44 N ATOM 0 H ASN A 39 7.267 -6.432 -29.556 1.00 34.42 H new ATOM 0 HA ASN A 39 7.766 -5.421 -26.855 1.00 42.40 H new ATOM 0 HB2 ASN A 39 7.953 -8.039 -28.303 1.00 32.34 H new ATOM 0 HB3 ASN A 39 9.074 -7.783 -26.981 1.00 32.34 H new ATOM 0 HD21 ASN A 39 5.029 -7.547 -26.025 1.00 13.44 H new ATOM 0 HD22 ASN A 39 5.651 -6.777 -27.488 1.00 13.44 H new ATOM 657 N LYS A 40 9.779 -4.753 -29.019 1.00 54.22 N ATOM 658 CA LYS A 40 11.104 -4.263 -29.378 1.00 24.03 C ATOM 659 C LYS A 40 11.649 -3.330 -28.301 1.00 23.11 C ATOM 660 O LYS A 40 12.832 -3.382 -27.962 1.00 53.41 O ATOM 661 CB LYS A 40 11.055 -3.534 -30.722 1.00 52.51 C ATOM 662 CG LYS A 40 11.364 -4.427 -31.911 1.00 24.13 C ATOM 663 CD LYS A 40 10.104 -5.058 -32.477 1.00 74.13 C ATOM 664 CE LYS A 40 9.878 -6.454 -31.916 1.00 43.24 C ATOM 665 NZ LYS A 40 10.473 -7.505 -32.788 1.00 50.41 N ATOM 0 H LYS A 40 9.032 -4.437 -29.637 1.00 54.22 H new ATOM 0 HA LYS A 40 11.770 -5.121 -29.462 1.00 24.03 H new ATOM 0 HB2 LYS A 40 10.065 -3.098 -30.853 1.00 52.51 H new ATOM 0 HB3 LYS A 40 11.766 -2.708 -30.704 1.00 52.51 H new ATOM 0 HG2 LYS A 40 11.859 -3.843 -32.687 1.00 24.13 H new ATOM 0 HG3 LYS A 40 12.059 -5.210 -31.608 1.00 24.13 H new ATOM 0 HD2 LYS A 40 9.245 -4.428 -32.245 1.00 74.13 H new ATOM 0 HD3 LYS A 40 10.178 -5.109 -33.563 1.00 74.13 H new ATOM 0 HE2 LYS A 40 10.314 -6.520 -30.919 1.00 43.24 H new ATOM 0 HE3 LYS A 40 8.808 -6.634 -31.809 1.00 43.24 H new ATOM 0 HZ1 LYS A 40 10.298 -8.442 -32.372 1.00 50.41 H new ATOM 0 HZ2 LYS A 40 10.039 -7.459 -33.732 1.00 50.41 H new ATOM 0 HZ3 LYS A 40 11.498 -7.349 -32.870 1.00 50.41 H new ATOM 679 N ASP A 41 10.780 -2.480 -27.766 1.00 51.33 N ATOM 680 CA ASP A 41 11.174 -1.537 -26.726 1.00 13.03 C ATOM 681 C ASP A 41 10.393 -1.790 -25.440 1.00 11.43 C ATOM 682 O ASP A 41 10.369 -0.949 -24.541 1.00 2.32 O ATOM 683 CB ASP A 41 10.950 -0.100 -27.199 1.00 2.23 C ATOM 684 CG ASP A 41 11.287 0.086 -28.665 1.00 75.03 C ATOM 685 OD1 ASP A 41 10.349 0.118 -29.489 1.00 72.31 O ATOM 686 OD2 ASP A 41 12.488 0.199 -28.989 1.00 75.33 O ATOM 0 H ASP A 41 9.798 -2.425 -28.035 1.00 51.33 H new ATOM 0 HA ASP A 41 12.235 -1.682 -26.521 1.00 13.03 H new ATOM 0 HB2 ASP A 41 9.909 0.177 -27.030 1.00 2.23 H new ATOM 0 HB3 ASP A 41 11.561 0.576 -26.600 1.00 2.23 H new ATOM 691 N ASP A 42 9.755 -2.952 -25.360 1.00 13.00 N ATOM 692 CA ASP A 42 8.973 -3.316 -24.184 1.00 55.41 C ATOM 693 C ASP A 42 9.133 -4.798 -23.862 1.00 71.10 C ATOM 694 O ASP A 42 8.293 -5.628 -24.210 1.00 20.53 O ATOM 695 CB ASP A 42 7.496 -2.986 -24.406 1.00 35.11 C ATOM 696 CG ASP A 42 6.794 -2.582 -23.124 1.00 52.22 C ATOM 697 OD1 ASP A 42 7.436 -2.633 -22.055 1.00 24.11 O ATOM 698 OD2 ASP A 42 5.602 -2.215 -23.190 1.00 53.14 O ATOM 0 H ASP A 42 9.764 -3.659 -26.096 1.00 13.00 H new ATOM 0 HA ASP A 42 9.344 -2.737 -23.338 1.00 55.41 H new ATOM 0 HB2 ASP A 42 7.412 -2.178 -25.133 1.00 35.11 H new ATOM 0 HB3 ASP A 42 6.993 -3.853 -24.834 1.00 35.11 H new ATOM 703 N PRO A 43 10.238 -5.140 -23.182 1.00 74.25 N ATOM 704 CA PRO A 43 10.534 -6.524 -22.799 1.00 45.41 C ATOM 705 C PRO A 43 9.591 -7.041 -21.719 1.00 1.15 C ATOM 706 O PRO A 43 9.607 -8.225 -21.380 1.00 41.42 O ATOM 707 CB PRO A 43 11.967 -6.444 -22.265 1.00 72.01 C ATOM 708 CG PRO A 43 12.123 -5.035 -21.808 1.00 11.23 C ATOM 709 CD PRO A 43 11.282 -4.203 -22.736 1.00 14.24 C ATOM 0 HA PRO A 43 10.413 -7.213 -23.635 1.00 45.41 H new ATOM 0 HB2 PRO A 43 12.124 -7.146 -21.446 1.00 72.01 H new ATOM 0 HB3 PRO A 43 12.693 -6.691 -23.040 1.00 72.01 H new ATOM 0 HG2 PRO A 43 11.794 -4.921 -20.775 1.00 11.23 H new ATOM 0 HG3 PRO A 43 13.168 -4.726 -21.845 1.00 11.23 H new ATOM 0 HD2 PRO A 43 10.856 -3.339 -22.226 1.00 14.24 H new ATOM 0 HD3 PRO A 43 11.865 -3.822 -23.574 1.00 14.24 H new ATOM 717 N LYS A 44 8.769 -6.147 -21.180 1.00 0.32 N ATOM 718 CA LYS A 44 7.816 -6.512 -20.138 1.00 64.43 C ATOM 719 C LYS A 44 6.451 -6.835 -20.738 1.00 45.41 C ATOM 720 O LYS A 44 5.627 -7.495 -20.108 1.00 35.41 O ATOM 721 CB LYS A 44 7.683 -5.378 -19.120 1.00 32.13 C ATOM 722 CG LYS A 44 8.600 -5.528 -17.918 1.00 61.14 C ATOM 723 CD LYS A 44 8.217 -6.729 -17.071 1.00 33.44 C ATOM 724 CE LYS A 44 9.439 -7.378 -16.438 1.00 75.02 C ATOM 725 NZ LYS A 44 10.078 -8.365 -17.352 1.00 31.13 N ATOM 0 H LYS A 44 8.744 -5.163 -21.448 1.00 0.32 H new ATOM 0 HA LYS A 44 8.191 -7.402 -19.633 1.00 64.43 H new ATOM 0 HB2 LYS A 44 7.898 -4.431 -19.614 1.00 32.13 H new ATOM 0 HB3 LYS A 44 6.650 -5.330 -18.775 1.00 32.13 H new ATOM 0 HG2 LYS A 44 9.631 -5.634 -18.257 1.00 61.14 H new ATOM 0 HG3 LYS A 44 8.556 -4.624 -17.310 1.00 61.14 H new ATOM 0 HD2 LYS A 44 7.523 -6.418 -16.290 1.00 33.44 H new ATOM 0 HD3 LYS A 44 7.695 -7.460 -17.689 1.00 33.44 H new ATOM 0 HE2 LYS A 44 10.163 -6.608 -16.172 1.00 75.02 H new ATOM 0 HE3 LYS A 44 9.148 -7.875 -15.513 1.00 75.02 H new ATOM 0 HZ1 LYS A 44 10.907 -8.785 -16.885 1.00 31.13 H new ATOM 0 HZ2 LYS A 44 9.396 -9.114 -17.586 1.00 31.13 H new ATOM 0 HZ3 LYS A 44 10.379 -7.886 -18.225 1.00 31.13 H new ATOM 739 N ALA A 45 6.221 -6.365 -21.960 1.00 2.32 N ATOM 740 CA ALA A 45 4.958 -6.606 -22.646 1.00 32.15 C ATOM 741 C ALA A 45 4.664 -8.099 -22.746 1.00 64.12 C ATOM 742 O ALA A 45 3.513 -8.525 -22.646 1.00 5.32 O ATOM 743 CB ALA A 45 4.980 -5.976 -24.030 1.00 61.03 C ATOM 0 H ALA A 45 6.893 -5.815 -22.495 1.00 2.32 H new ATOM 0 HA ALA A 45 4.162 -6.144 -22.062 1.00 32.15 H new ATOM 0 HB1 ALA A 45 4.030 -6.164 -24.531 1.00 61.03 H new ATOM 0 HB2 ALA A 45 5.135 -4.901 -23.938 1.00 61.03 H new ATOM 0 HB3 ALA A 45 5.791 -6.411 -24.615 1.00 61.03 H new ATOM 749 N LYS A 46 5.712 -8.891 -22.946 1.00 64.11 N ATOM 750 CA LYS A 46 5.568 -10.338 -23.060 1.00 43.51 C ATOM 751 C LYS A 46 4.923 -10.921 -21.807 1.00 1.50 C ATOM 752 O LYS A 46 4.047 -11.781 -21.892 1.00 45.23 O ATOM 753 CB LYS A 46 6.933 -10.990 -23.295 1.00 13.23 C ATOM 754 CG LYS A 46 7.960 -10.651 -22.228 1.00 61.14 C ATOM 755 CD LYS A 46 9.377 -10.890 -22.723 1.00 52.13 C ATOM 756 CE LYS A 46 9.773 -9.879 -23.788 1.00 50.04 C ATOM 757 NZ LYS A 46 11.237 -9.609 -23.779 1.00 44.23 N ATOM 0 H LYS A 46 6.671 -8.555 -23.033 1.00 64.11 H new ATOM 0 HA LYS A 46 4.921 -10.548 -23.911 1.00 43.51 H new ATOM 0 HB2 LYS A 46 6.807 -12.072 -23.336 1.00 13.23 H new ATOM 0 HB3 LYS A 46 7.314 -10.676 -24.267 1.00 13.23 H new ATOM 0 HG2 LYS A 46 7.848 -9.608 -21.932 1.00 61.14 H new ATOM 0 HG3 LYS A 46 7.777 -11.256 -21.340 1.00 61.14 H new ATOM 0 HD2 LYS A 46 10.071 -10.828 -21.885 1.00 52.13 H new ATOM 0 HD3 LYS A 46 9.456 -11.898 -23.129 1.00 52.13 H new ATOM 0 HE2 LYS A 46 9.478 -10.251 -24.769 1.00 50.04 H new ATOM 0 HE3 LYS A 46 9.231 -8.948 -23.624 1.00 50.04 H new ATOM 0 HZ1 LYS A 46 11.462 -8.890 -24.496 1.00 44.23 H new ATOM 0 HZ2 LYS A 46 11.520 -9.262 -22.840 1.00 44.23 H new ATOM 0 HZ3 LYS A 46 11.753 -10.486 -23.994 1.00 44.23 H new ATOM 771 N GLU A 47 5.361 -10.445 -20.645 1.00 51.13 N ATOM 772 CA GLU A 47 4.824 -10.920 -19.375 1.00 43.33 C ATOM 773 C GLU A 47 3.355 -10.534 -19.227 1.00 5.31 C ATOM 774 O GLU A 47 2.551 -11.298 -18.694 1.00 22.43 O ATOM 775 CB GLU A 47 5.633 -10.349 -18.209 1.00 5.50 C ATOM 776 CG GLU A 47 5.146 -10.811 -16.846 1.00 64.10 C ATOM 777 CD GLU A 47 5.794 -10.050 -15.706 1.00 2.22 C ATOM 778 OE1 GLU A 47 5.116 -9.829 -14.680 1.00 45.12 O ATOM 779 OE2 GLU A 47 6.978 -9.675 -15.839 1.00 12.13 O ATOM 0 H GLU A 47 6.085 -9.732 -20.557 1.00 51.13 H new ATOM 0 HA GLU A 47 4.899 -12.007 -19.362 1.00 43.33 H new ATOM 0 HB2 GLU A 47 6.678 -10.635 -18.328 1.00 5.50 H new ATOM 0 HB3 GLU A 47 5.594 -9.260 -18.250 1.00 5.50 H new ATOM 0 HG2 GLU A 47 4.064 -10.689 -16.790 1.00 64.10 H new ATOM 0 HG3 GLU A 47 5.353 -11.875 -16.732 1.00 64.10 H new ATOM 786 N LYS A 48 3.012 -9.341 -19.702 1.00 24.21 N ATOM 787 CA LYS A 48 1.641 -8.852 -19.624 1.00 2.50 C ATOM 788 C LYS A 48 0.735 -9.617 -20.583 1.00 11.30 C ATOM 789 O LYS A 48 -0.438 -9.852 -20.290 1.00 43.34 O ATOM 790 CB LYS A 48 1.593 -7.356 -19.944 1.00 1.21 C ATOM 791 CG LYS A 48 2.491 -6.514 -19.054 1.00 22.20 C ATOM 792 CD LYS A 48 2.160 -6.709 -17.584 1.00 22.12 C ATOM 793 CE LYS A 48 3.017 -5.819 -16.697 1.00 13.42 C ATOM 794 NZ LYS A 48 2.900 -6.191 -15.260 1.00 0.44 N ATOM 0 H LYS A 48 3.665 -8.695 -20.145 1.00 24.21 H new ATOM 0 HA LYS A 48 1.282 -9.012 -18.607 1.00 2.50 H new ATOM 0 HB2 LYS A 48 1.883 -7.206 -20.984 1.00 1.21 H new ATOM 0 HB3 LYS A 48 0.566 -7.005 -19.846 1.00 1.21 H new ATOM 0 HG2 LYS A 48 3.533 -6.780 -19.232 1.00 22.20 H new ATOM 0 HG3 LYS A 48 2.381 -5.462 -19.316 1.00 22.20 H new ATOM 0 HD2 LYS A 48 1.106 -6.487 -17.415 1.00 22.12 H new ATOM 0 HD3 LYS A 48 2.314 -7.753 -17.311 1.00 22.12 H new ATOM 0 HE2 LYS A 48 4.059 -5.893 -17.007 1.00 13.42 H new ATOM 0 HE3 LYS A 48 2.718 -4.779 -16.829 1.00 13.42 H new ATOM 0 HZ1 LYS A 48 3.499 -5.561 -14.689 1.00 0.44 H new ATOM 0 HZ2 LYS A 48 1.910 -6.097 -14.956 1.00 0.44 H new ATOM 0 HZ3 LYS A 48 3.210 -7.175 -15.130 1.00 0.44 H new ATOM 808 N PHE A 49 1.286 -10.004 -21.728 1.00 71.34 N ATOM 809 CA PHE A 49 0.527 -10.744 -22.730 1.00 50.33 C ATOM 810 C PHE A 49 -0.013 -12.048 -22.150 1.00 40.24 C ATOM 811 O PHE A 49 -1.137 -12.453 -22.447 1.00 22.22 O ATOM 812 CB PHE A 49 1.403 -11.039 -23.949 1.00 42.24 C ATOM 813 CG PHE A 49 0.762 -11.971 -24.937 1.00 71.11 C ATOM 814 CD1 PHE A 49 0.014 -11.475 -25.993 1.00 32.42 C ATOM 815 CD2 PHE A 49 0.908 -13.343 -24.810 1.00 75.11 C ATOM 816 CE1 PHE A 49 -0.578 -12.331 -26.902 1.00 60.34 C ATOM 817 CE2 PHE A 49 0.318 -14.204 -25.717 1.00 4.00 C ATOM 818 CZ PHE A 49 -0.425 -13.697 -26.765 1.00 65.11 C ATOM 0 H PHE A 49 2.255 -9.818 -21.986 1.00 71.34 H new ATOM 0 HA PHE A 49 -0.317 -10.127 -23.039 1.00 50.33 H new ATOM 0 HB2 PHE A 49 1.643 -10.101 -24.450 1.00 42.24 H new ATOM 0 HB3 PHE A 49 2.346 -11.471 -23.613 1.00 42.24 H new ATOM 0 HD1 PHE A 49 -0.108 -10.408 -26.107 1.00 32.42 H new ATOM 0 HD2 PHE A 49 1.489 -13.745 -23.993 1.00 75.11 H new ATOM 0 HE1 PHE A 49 -1.160 -11.932 -27.719 1.00 60.34 H new ATOM 0 HE2 PHE A 49 0.438 -15.272 -25.606 1.00 4.00 H new ATOM 0 HZ PHE A 49 -0.885 -14.367 -27.476 1.00 65.11 H new ATOM 828 N SER A 50 0.797 -12.700 -21.322 1.00 73.35 N ATOM 829 CA SER A 50 0.403 -13.961 -20.704 1.00 2.22 C ATOM 830 C SER A 50 -0.839 -13.776 -19.837 1.00 61.24 C ATOM 831 O SER A 50 -1.686 -14.665 -19.752 1.00 53.45 O ATOM 832 CB SER A 50 1.550 -14.518 -19.859 1.00 21.52 C ATOM 833 OG SER A 50 2.543 -15.114 -20.676 1.00 31.01 O ATOM 0 H SER A 50 1.729 -12.376 -21.064 1.00 73.35 H new ATOM 0 HA SER A 50 0.168 -14.670 -21.498 1.00 2.22 H new ATOM 0 HB2 SER A 50 1.994 -13.716 -19.269 1.00 21.52 H new ATOM 0 HB3 SER A 50 1.163 -15.255 -19.156 1.00 21.52 H new ATOM 0 HG SER A 50 3.266 -15.461 -20.112 1.00 31.01 H new ATOM 839 N GLN A 51 -0.938 -12.616 -19.196 1.00 75.24 N ATOM 840 CA GLN A 51 -2.076 -12.315 -18.336 1.00 12.34 C ATOM 841 C GLN A 51 -3.378 -12.331 -19.129 1.00 54.43 C ATOM 842 O GLN A 51 -4.444 -12.631 -18.589 1.00 23.23 O ATOM 843 CB GLN A 51 -1.889 -10.952 -17.667 1.00 14.15 C ATOM 844 CG GLN A 51 -0.696 -10.894 -16.727 1.00 42.10 C ATOM 845 CD GLN A 51 -0.123 -9.496 -16.597 1.00 62.40 C ATOM 846 OE1 GLN A 51 -0.554 -8.570 -17.284 1.00 45.14 O ATOM 847 NE2 GLN A 51 0.854 -9.337 -15.712 1.00 1.21 N ATOM 0 H GLN A 51 -0.245 -11.870 -19.256 1.00 75.24 H new ATOM 0 HA GLN A 51 -2.132 -13.085 -17.567 1.00 12.34 H new ATOM 0 HB2 GLN A 51 -1.770 -10.191 -18.438 1.00 14.15 H new ATOM 0 HB3 GLN A 51 -2.792 -10.703 -17.110 1.00 14.15 H new ATOM 0 HG2 GLN A 51 -0.996 -11.253 -15.742 1.00 42.10 H new ATOM 0 HG3 GLN A 51 0.080 -11.568 -17.089 1.00 42.10 H new ATOM 0 HE21 GLN A 51 1.180 -10.133 -15.164 1.00 1.21 H new ATOM 0 HE22 GLN A 51 1.278 -8.419 -15.580 1.00 1.21 H new ATOM 856 N LEU A 52 -3.286 -12.005 -20.414 1.00 15.12 N ATOM 857 CA LEU A 52 -4.458 -11.981 -21.283 1.00 21.41 C ATOM 858 C LEU A 52 -5.046 -13.380 -21.442 1.00 52.30 C ATOM 859 O LEU A 52 -6.252 -13.577 -21.296 1.00 0.25 O ATOM 860 CB LEU A 52 -4.089 -11.412 -22.654 1.00 1.11 C ATOM 861 CG LEU A 52 -3.399 -10.047 -22.650 1.00 62.43 C ATOM 862 CD1 LEU A 52 -2.704 -9.797 -23.980 1.00 12.02 C ATOM 863 CD2 LEU A 52 -4.403 -8.943 -22.355 1.00 2.25 C ATOM 0 H LEU A 52 -2.413 -11.754 -20.877 1.00 15.12 H new ATOM 0 HA LEU A 52 -5.210 -11.341 -20.821 1.00 21.41 H new ATOM 0 HB2 LEU A 52 -3.437 -12.125 -23.158 1.00 1.11 H new ATOM 0 HB3 LEU A 52 -4.998 -11.336 -23.250 1.00 1.11 H new ATOM 0 HG LEU A 52 -2.645 -10.044 -21.863 1.00 62.43 H new ATOM 0 HD11 LEU A 52 -2.219 -8.821 -23.959 1.00 12.02 H new ATOM 0 HD12 LEU A 52 -1.956 -10.571 -24.151 1.00 12.02 H new ATOM 0 HD13 LEU A 52 -3.439 -9.819 -24.785 1.00 12.02 H new ATOM 0 HD21 LEU A 52 -3.894 -7.979 -22.356 1.00 2.25 H new ATOM 0 HD22 LEU A 52 -5.180 -8.944 -23.119 1.00 2.25 H new ATOM 0 HD23 LEU A 52 -4.855 -9.114 -21.378 1.00 2.25 H new ATOM 875 N ALA A 53 -4.186 -14.348 -21.741 1.00 3.53 N ATOM 876 CA ALA A 53 -4.619 -15.728 -21.915 1.00 74.12 C ATOM 877 C ALA A 53 -5.065 -16.336 -20.589 1.00 45.52 C ATOM 878 O ALA A 53 -5.972 -17.166 -20.550 1.00 50.54 O ATOM 879 CB ALA A 53 -3.502 -16.559 -22.530 1.00 13.52 C ATOM 0 H ALA A 53 -3.185 -14.201 -21.868 1.00 3.53 H new ATOM 0 HA ALA A 53 -5.474 -15.731 -22.591 1.00 74.12 H new ATOM 0 HB1 ALA A 53 -3.840 -17.588 -22.654 1.00 13.52 H new ATOM 0 HB2 ALA A 53 -3.234 -16.145 -23.502 1.00 13.52 H new ATOM 0 HB3 ALA A 53 -2.631 -16.540 -21.875 1.00 13.52 H new ATOM 885 N GLU A 54 -4.419 -15.916 -19.505 1.00 60.52 N ATOM 886 CA GLU A 54 -4.749 -16.422 -18.178 1.00 3.44 C ATOM 887 C GLU A 54 -6.168 -16.026 -17.782 1.00 75.11 C ATOM 888 O GLU A 54 -6.963 -16.865 -17.358 1.00 64.35 O ATOM 889 CB GLU A 54 -3.753 -15.891 -17.144 1.00 11.10 C ATOM 890 CG GLU A 54 -2.549 -16.795 -16.938 1.00 52.14 C ATOM 891 CD GLU A 54 -1.879 -16.577 -15.596 1.00 22.42 C ATOM 892 OE1 GLU A 54 -2.603 -16.420 -14.590 1.00 60.33 O ATOM 893 OE2 GLU A 54 -0.631 -16.564 -15.550 1.00 51.22 O ATOM 0 H GLU A 54 -3.666 -15.228 -19.520 1.00 60.52 H new ATOM 0 HA GLU A 54 -4.688 -17.510 -18.206 1.00 3.44 H new ATOM 0 HB2 GLU A 54 -3.408 -14.906 -17.457 1.00 11.10 H new ATOM 0 HB3 GLU A 54 -4.266 -15.761 -16.191 1.00 11.10 H new ATOM 0 HG2 GLU A 54 -2.863 -17.836 -17.018 1.00 52.14 H new ATOM 0 HG3 GLU A 54 -1.826 -16.618 -17.734 1.00 52.14 H new ATOM 900 N ALA A 55 -6.480 -14.742 -17.923 1.00 42.15 N ATOM 901 CA ALA A 55 -7.803 -14.235 -17.583 1.00 11.42 C ATOM 902 C ALA A 55 -8.846 -14.697 -18.595 1.00 44.23 C ATOM 903 O ALA A 55 -9.964 -15.058 -18.228 1.00 61.43 O ATOM 904 CB ALA A 55 -7.781 -12.715 -17.501 1.00 71.52 C ATOM 0 H ALA A 55 -5.834 -14.034 -18.271 1.00 42.15 H new ATOM 0 HA ALA A 55 -8.079 -14.637 -16.608 1.00 11.42 H new ATOM 0 HB1 ALA A 55 -8.776 -12.350 -17.246 1.00 71.52 H new ATOM 0 HB2 ALA A 55 -7.072 -12.402 -16.734 1.00 71.52 H new ATOM 0 HB3 ALA A 55 -7.479 -12.303 -18.464 1.00 71.52 H new ATOM 910 N TYR A 56 -8.473 -14.682 -19.870 1.00 45.10 N ATOM 911 CA TYR A 56 -9.377 -15.097 -20.936 1.00 2.31 C ATOM 912 C TYR A 56 -9.784 -16.557 -20.768 1.00 25.53 C ATOM 913 O TYR A 56 -10.866 -16.963 -21.188 1.00 73.43 O ATOM 914 CB TYR A 56 -8.717 -14.893 -22.301 1.00 32.31 C ATOM 915 CG TYR A 56 -9.434 -15.597 -23.431 1.00 31.32 C ATOM 916 CD1 TYR A 56 -10.498 -14.992 -24.089 1.00 2.13 C ATOM 917 CD2 TYR A 56 -9.049 -16.868 -23.840 1.00 4.21 C ATOM 918 CE1 TYR A 56 -11.156 -15.632 -25.121 1.00 54.51 C ATOM 919 CE2 TYR A 56 -9.700 -17.514 -24.872 1.00 73.22 C ATOM 920 CZ TYR A 56 -10.754 -16.892 -25.509 1.00 64.25 C ATOM 921 OH TYR A 56 -11.406 -17.533 -26.537 1.00 73.43 O ATOM 0 H TYR A 56 -7.551 -14.387 -20.190 1.00 45.10 H new ATOM 0 HA TYR A 56 -10.274 -14.480 -20.878 1.00 2.31 H new ATOM 0 HB2 TYR A 56 -8.673 -13.826 -22.518 1.00 32.31 H new ATOM 0 HB3 TYR A 56 -7.689 -15.251 -22.255 1.00 32.31 H new ATOM 0 HD1 TYR A 56 -10.816 -14.005 -23.788 1.00 2.13 H new ATOM 0 HD2 TYR A 56 -8.226 -17.359 -23.342 1.00 4.21 H new ATOM 0 HE1 TYR A 56 -11.981 -15.148 -25.621 1.00 54.51 H new ATOM 0 HE2 TYR A 56 -9.386 -18.501 -25.179 1.00 73.22 H new ATOM 0 HH TYR A 56 -10.998 -18.412 -26.686 1.00 73.43 H new ATOM 931 N GLU A 57 -8.906 -17.342 -20.149 1.00 14.32 N ATOM 932 CA GLU A 57 -9.174 -18.758 -19.925 1.00 4.53 C ATOM 933 C GLU A 57 -10.406 -18.946 -19.044 1.00 42.05 C ATOM 934 O GLU A 57 -11.270 -19.773 -19.336 1.00 13.51 O ATOM 935 CB GLU A 57 -7.962 -19.432 -19.277 1.00 14.43 C ATOM 936 CG GLU A 57 -6.958 -19.973 -20.280 1.00 71.21 C ATOM 937 CD GLU A 57 -5.583 -20.181 -19.675 1.00 73.02 C ATOM 938 OE1 GLU A 57 -4.590 -19.757 -20.302 1.00 2.42 O ATOM 939 OE2 GLU A 57 -5.501 -20.768 -18.576 1.00 45.12 O ATOM 0 H GLU A 57 -8.005 -17.021 -19.795 1.00 14.32 H new ATOM 0 HA GLU A 57 -9.366 -19.223 -20.892 1.00 4.53 H new ATOM 0 HB2 GLU A 57 -7.462 -18.714 -18.627 1.00 14.43 H new ATOM 0 HB3 GLU A 57 -8.307 -20.249 -18.644 1.00 14.43 H new ATOM 0 HG2 GLU A 57 -7.322 -20.920 -20.679 1.00 71.21 H new ATOM 0 HG3 GLU A 57 -6.881 -19.282 -21.120 1.00 71.21 H new ATOM 946 N VAL A 58 -10.479 -18.173 -17.965 1.00 64.32 N ATOM 947 CA VAL A 58 -11.604 -18.254 -17.042 1.00 11.21 C ATOM 948 C VAL A 58 -12.847 -17.596 -17.632 1.00 22.43 C ATOM 949 O VAL A 58 -13.955 -18.122 -17.516 1.00 42.20 O ATOM 950 CB VAL A 58 -11.274 -17.585 -15.694 1.00 65.13 C ATOM 951 CG1 VAL A 58 -12.469 -17.655 -14.756 1.00 4.10 C ATOM 952 CG2 VAL A 58 -10.051 -18.235 -15.063 1.00 52.34 C ATOM 0 H VAL A 58 -9.772 -17.484 -17.709 1.00 64.32 H new ATOM 0 HA VAL A 58 -11.801 -19.313 -16.875 1.00 11.21 H new ATOM 0 HB VAL A 58 -11.047 -16.534 -15.875 1.00 65.13 H new ATOM 0 HG11 VAL A 58 -12.217 -17.177 -13.809 1.00 4.10 H new ATOM 0 HG12 VAL A 58 -13.317 -17.140 -15.208 1.00 4.10 H new ATOM 0 HG13 VAL A 58 -12.731 -18.698 -14.578 1.00 4.10 H new ATOM 0 HG21 VAL A 58 -9.832 -17.751 -14.112 1.00 52.34 H new ATOM 0 HG22 VAL A 58 -10.248 -19.294 -14.894 1.00 52.34 H new ATOM 0 HG23 VAL A 58 -9.196 -18.127 -15.731 1.00 52.34 H new ATOM 962 N LEU A 59 -12.656 -16.444 -18.265 1.00 23.33 N ATOM 963 CA LEU A 59 -13.761 -15.714 -18.874 1.00 55.34 C ATOM 964 C LEU A 59 -14.233 -16.404 -20.150 1.00 20.50 C ATOM 965 O LEU A 59 -15.252 -16.030 -20.730 1.00 70.12 O ATOM 966 CB LEU A 59 -13.339 -14.277 -19.185 1.00 54.42 C ATOM 967 CG LEU A 59 -13.844 -13.205 -18.218 1.00 41.14 C ATOM 968 CD1 LEU A 59 -13.525 -13.589 -16.782 1.00 21.01 C ATOM 969 CD2 LEU A 59 -13.236 -11.852 -18.558 1.00 13.41 C ATOM 0 H LEU A 59 -11.746 -15.996 -18.370 1.00 23.33 H new ATOM 0 HA LEU A 59 -14.588 -15.698 -18.164 1.00 55.34 H new ATOM 0 HB2 LEU A 59 -12.250 -14.236 -19.205 1.00 54.42 H new ATOM 0 HB3 LEU A 59 -13.686 -14.026 -20.187 1.00 54.42 H new ATOM 0 HG LEU A 59 -14.927 -13.131 -18.320 1.00 41.14 H new ATOM 0 HD11 LEU A 59 -13.892 -12.815 -16.108 1.00 21.01 H new ATOM 0 HD12 LEU A 59 -14.008 -14.536 -16.543 1.00 21.01 H new ATOM 0 HD13 LEU A 59 -12.446 -13.692 -16.664 1.00 21.01 H new ATOM 0 HD21 LEU A 59 -13.606 -11.101 -17.860 1.00 13.41 H new ATOM 0 HD22 LEU A 59 -12.150 -11.912 -18.484 1.00 13.41 H new ATOM 0 HD23 LEU A 59 -13.516 -11.572 -19.574 1.00 13.41 H new ATOM 981 N SER A 60 -13.486 -17.416 -20.580 1.00 23.22 N ATOM 982 CA SER A 60 -13.826 -18.159 -21.788 1.00 13.13 C ATOM 983 C SER A 60 -15.026 -19.070 -21.545 1.00 64.10 C ATOM 984 O SER A 60 -15.645 -19.564 -22.488 1.00 11.53 O ATOM 985 CB SER A 60 -12.629 -18.987 -22.257 1.00 62.22 C ATOM 986 OG SER A 60 -13.024 -19.962 -23.207 1.00 42.31 O ATOM 0 H SER A 60 -12.641 -17.740 -20.110 1.00 23.22 H new ATOM 0 HA SER A 60 -14.088 -17.441 -22.565 1.00 13.13 H new ATOM 0 HB2 SER A 60 -11.878 -18.330 -22.696 1.00 62.22 H new ATOM 0 HB3 SER A 60 -12.163 -19.476 -21.401 1.00 62.22 H new ATOM 0 HG SER A 60 -14.000 -19.959 -23.293 1.00 42.31 H new ATOM 992 N ASP A 61 -15.347 -19.289 -20.275 1.00 1.33 N ATOM 993 CA ASP A 61 -16.472 -20.140 -19.906 1.00 54.42 C ATOM 994 C ASP A 61 -17.305 -19.493 -18.804 1.00 3.53 C ATOM 995 O ASP A 61 -16.764 -18.986 -17.822 1.00 3.34 O ATOM 996 CB ASP A 61 -15.974 -21.511 -19.448 1.00 1.02 C ATOM 997 CG ASP A 61 -16.890 -22.636 -19.886 1.00 73.41 C ATOM 998 OD1 ASP A 61 -16.599 -23.270 -20.922 1.00 42.14 O ATOM 999 OD2 ASP A 61 -17.899 -22.884 -19.193 1.00 24.14 O ATOM 0 H ASP A 61 -14.844 -18.889 -19.483 1.00 1.33 H new ATOM 0 HA ASP A 61 -17.103 -20.267 -20.786 1.00 54.42 H new ATOM 0 HB2 ASP A 61 -14.975 -21.683 -19.848 1.00 1.02 H new ATOM 0 HB3 ASP A 61 -15.888 -21.519 -18.361 1.00 1.02 H new ATOM 1004 N GLU A 62 -18.623 -19.513 -18.975 1.00 21.12 N ATOM 1005 CA GLU A 62 -19.529 -18.926 -17.995 1.00 30.35 C ATOM 1006 C GLU A 62 -19.319 -19.550 -16.618 1.00 5.54 C ATOM 1007 O GLU A 62 -19.304 -18.852 -15.603 1.00 54.24 O ATOM 1008 CB GLU A 62 -20.983 -19.113 -18.434 1.00 65.54 C ATOM 1009 CG GLU A 62 -21.261 -18.615 -19.842 1.00 73.14 C ATOM 1010 CD GLU A 62 -22.741 -18.417 -20.109 1.00 1.12 C ATOM 1011 OE1 GLU A 62 -23.101 -17.387 -20.717 1.00 2.25 O ATOM 1012 OE2 GLU A 62 -23.538 -19.291 -19.710 1.00 15.21 O ATOM 0 H GLU A 62 -19.087 -19.929 -19.783 1.00 21.12 H new ATOM 0 HA GLU A 62 -19.311 -17.860 -17.930 1.00 30.35 H new ATOM 0 HB2 GLU A 62 -21.239 -20.171 -18.374 1.00 65.54 H new ATOM 0 HB3 GLU A 62 -21.635 -18.588 -17.736 1.00 65.54 H new ATOM 0 HG2 GLU A 62 -20.738 -17.672 -20.000 1.00 73.14 H new ATOM 0 HG3 GLU A 62 -20.858 -19.327 -20.562 1.00 73.14 H new ATOM 1019 N VAL A 63 -19.156 -20.869 -16.590 1.00 41.51 N ATOM 1020 CA VAL A 63 -18.946 -21.587 -15.339 1.00 24.00 C ATOM 1021 C VAL A 63 -17.700 -21.084 -14.619 1.00 2.42 C ATOM 1022 O VAL A 63 -17.748 -20.738 -13.438 1.00 54.11 O ATOM 1023 CB VAL A 63 -18.810 -23.103 -15.578 1.00 41.50 C ATOM 1024 CG1 VAL A 63 -18.768 -23.850 -14.254 1.00 63.42 C ATOM 1025 CG2 VAL A 63 -19.950 -23.608 -16.449 1.00 63.24 C ATOM 0 H VAL A 63 -19.165 -21.462 -17.420 1.00 41.51 H new ATOM 0 HA VAL A 63 -19.822 -21.401 -14.717 1.00 24.00 H new ATOM 0 HB VAL A 63 -17.873 -23.289 -16.102 1.00 41.50 H new ATOM 0 HG11 VAL A 63 -18.672 -24.919 -14.442 1.00 63.42 H new ATOM 0 HG12 VAL A 63 -17.915 -23.506 -13.669 1.00 63.42 H new ATOM 0 HG13 VAL A 63 -19.687 -23.661 -13.700 1.00 63.42 H new ATOM 0 HG21 VAL A 63 -19.839 -24.681 -16.608 1.00 63.24 H new ATOM 0 HG22 VAL A 63 -20.901 -23.411 -15.954 1.00 63.24 H new ATOM 0 HG23 VAL A 63 -19.928 -23.095 -17.410 1.00 63.24 H new ATOM 1035 N LYS A 64 -16.583 -21.044 -15.338 1.00 30.24 N ATOM 1036 CA LYS A 64 -15.323 -20.581 -14.769 1.00 64.22 C ATOM 1037 C LYS A 64 -15.425 -19.123 -14.334 1.00 12.03 C ATOM 1038 O LYS A 64 -15.011 -18.764 -13.231 1.00 74.12 O ATOM 1039 CB LYS A 64 -14.191 -20.742 -15.787 1.00 21.33 C ATOM 1040 CG LYS A 64 -13.776 -22.186 -16.012 1.00 34.11 C ATOM 1041 CD LYS A 64 -12.323 -22.288 -16.443 1.00 60.21 C ATOM 1042 CE LYS A 64 -11.378 -21.908 -15.313 1.00 54.22 C ATOM 1043 NZ LYS A 64 -9.982 -22.348 -15.585 1.00 72.35 N ATOM 0 H LYS A 64 -16.525 -21.327 -16.316 1.00 30.24 H new ATOM 0 HA LYS A 64 -15.104 -21.189 -13.891 1.00 64.22 H new ATOM 0 HB2 LYS A 64 -14.504 -20.311 -16.738 1.00 21.33 H new ATOM 0 HB3 LYS A 64 -13.325 -20.173 -15.448 1.00 21.33 H new ATOM 0 HG2 LYS A 64 -13.925 -22.755 -15.095 1.00 34.11 H new ATOM 0 HG3 LYS A 64 -14.415 -22.635 -16.773 1.00 34.11 H new ATOM 0 HD2 LYS A 64 -12.110 -23.306 -16.770 1.00 60.21 H new ATOM 0 HD3 LYS A 64 -12.150 -21.635 -17.299 1.00 60.21 H new ATOM 0 HE2 LYS A 64 -11.397 -20.827 -15.172 1.00 54.22 H new ATOM 0 HE3 LYS A 64 -11.725 -22.357 -14.383 1.00 54.22 H new ATOM 0 HZ1 LYS A 64 -9.370 -22.070 -14.792 1.00 72.35 H new ATOM 0 HZ2 LYS A 64 -9.959 -23.382 -15.695 1.00 72.35 H new ATOM 0 HZ3 LYS A 64 -9.641 -21.900 -16.459 1.00 72.35 H new ATOM 1057 N ARG A 65 -15.980 -18.287 -15.206 1.00 32.44 N ATOM 1058 CA ARG A 65 -16.137 -16.868 -14.910 1.00 72.43 C ATOM 1059 C ARG A 65 -17.011 -16.663 -13.676 1.00 64.30 C ATOM 1060 O ARG A 65 -16.718 -15.820 -12.828 1.00 54.32 O ATOM 1061 CB ARG A 65 -16.750 -16.141 -16.109 1.00 31.15 C ATOM 1062 CG ARG A 65 -16.936 -14.649 -15.885 1.00 71.24 C ATOM 1063 CD ARG A 65 -17.933 -14.059 -16.870 1.00 51.32 C ATOM 1064 NE ARG A 65 -19.245 -13.852 -16.263 1.00 72.11 N ATOM 1065 CZ ARG A 65 -20.158 -13.019 -16.751 1.00 62.42 C ATOM 1066 NH1 ARG A 65 -19.902 -12.320 -17.848 1.00 15.51 N ATOM 1067 NH2 ARG A 65 -21.329 -12.886 -16.142 1.00 52.11 N ATOM 0 H ARG A 65 -16.328 -18.568 -16.123 1.00 32.44 H new ATOM 0 HA ARG A 65 -15.150 -16.453 -14.707 1.00 72.43 H new ATOM 0 HB2 ARG A 65 -16.113 -16.293 -16.980 1.00 31.15 H new ATOM 0 HB3 ARG A 65 -17.717 -16.589 -16.340 1.00 31.15 H new ATOM 0 HG2 ARG A 65 -17.281 -14.473 -14.866 1.00 71.24 H new ATOM 0 HG3 ARG A 65 -15.977 -14.142 -15.988 1.00 71.24 H new ATOM 0 HD2 ARG A 65 -17.553 -13.109 -17.245 1.00 51.32 H new ATOM 0 HD3 ARG A 65 -18.031 -14.724 -17.728 1.00 51.32 H new ATOM 0 HE ARG A 65 -19.473 -14.376 -15.418 1.00 72.11 H new ATOM 0 HH11 ARG A 65 -19.003 -12.421 -18.319 1.00 15.51 H new ATOM 0 HH12 ARG A 65 -20.604 -11.681 -18.221 1.00 15.51 H new ATOM 0 HH21 ARG A 65 -21.529 -13.423 -15.298 1.00 52.11 H new ATOM 0 HH22 ARG A 65 -22.029 -12.246 -16.517 1.00 52.11 H new ATOM 1081 N LYS A 66 -18.084 -17.440 -13.582 1.00 35.11 N ATOM 1082 CA LYS A 66 -19.001 -17.346 -12.452 1.00 11.51 C ATOM 1083 C LYS A 66 -18.297 -17.708 -11.148 1.00 41.23 C ATOM 1084 O LYS A 66 -18.504 -17.063 -10.121 1.00 54.30 O ATOM 1085 CB LYS A 66 -20.205 -18.266 -12.667 1.00 23.03 C ATOM 1086 CG LYS A 66 -21.221 -17.718 -13.653 1.00 51.03 C ATOM 1087 CD LYS A 66 -22.098 -16.653 -13.017 1.00 34.24 C ATOM 1088 CE LYS A 66 -21.724 -15.260 -13.499 1.00 63.42 C ATOM 1089 NZ LYS A 66 -22.895 -14.341 -13.504 1.00 32.02 N ATOM 0 H LYS A 66 -18.341 -18.143 -14.275 1.00 35.11 H new ATOM 0 HA LYS A 66 -19.348 -16.315 -12.383 1.00 11.51 H new ATOM 0 HB2 LYS A 66 -19.853 -19.234 -13.022 1.00 23.03 H new ATOM 0 HB3 LYS A 66 -20.696 -18.437 -11.709 1.00 23.03 H new ATOM 0 HG2 LYS A 66 -20.703 -17.297 -14.514 1.00 51.03 H new ATOM 0 HG3 LYS A 66 -21.845 -18.531 -14.023 1.00 51.03 H new ATOM 0 HD2 LYS A 66 -23.143 -16.852 -13.254 1.00 34.24 H new ATOM 0 HD3 LYS A 66 -22.002 -16.702 -11.932 1.00 34.24 H new ATOM 0 HE2 LYS A 66 -20.944 -14.851 -12.857 1.00 63.42 H new ATOM 0 HE3 LYS A 66 -21.308 -15.323 -14.504 1.00 63.42 H new ATOM 0 HZ1 LYS A 66 -22.565 -13.358 -13.589 1.00 32.02 H new ATOM 0 HZ2 LYS A 66 -23.512 -14.570 -14.309 1.00 32.02 H new ATOM 0 HZ3 LYS A 66 -23.427 -14.452 -12.617 1.00 32.02 H new ATOM 1103 N GLN A 67 -17.464 -18.742 -11.199 1.00 24.03 N ATOM 1104 CA GLN A 67 -16.729 -19.188 -10.021 1.00 63.41 C ATOM 1105 C GLN A 67 -15.849 -18.070 -9.472 1.00 15.22 C ATOM 1106 O GLN A 67 -15.766 -17.871 -8.260 1.00 1.34 O ATOM 1107 CB GLN A 67 -15.870 -20.408 -10.362 1.00 0.45 C ATOM 1108 CG GLN A 67 -16.671 -21.688 -10.530 1.00 34.45 C ATOM 1109 CD GLN A 67 -17.349 -22.125 -9.246 1.00 21.53 C ATOM 1110 OE1 GLN A 67 -16.771 -22.861 -8.445 1.00 14.03 O ATOM 1111 NE2 GLN A 67 -18.581 -21.674 -9.043 1.00 11.21 N ATOM 0 H GLN A 67 -17.281 -19.286 -12.042 1.00 24.03 H new ATOM 0 HA GLN A 67 -17.454 -19.464 -9.255 1.00 63.41 H new ATOM 0 HB2 GLN A 67 -15.321 -20.209 -11.282 1.00 0.45 H new ATOM 0 HB3 GLN A 67 -15.130 -20.553 -9.574 1.00 0.45 H new ATOM 0 HG2 GLN A 67 -17.425 -21.541 -11.303 1.00 34.45 H new ATOM 0 HG3 GLN A 67 -16.010 -22.483 -10.876 1.00 34.45 H new ATOM 0 HE21 GLN A 67 -19.022 -21.066 -9.733 1.00 11.21 H new ATOM 0 HE22 GLN A 67 -19.087 -21.935 -8.197 1.00 11.21 H new ATOM 1120 N TYR A 68 -15.195 -17.343 -10.371 1.00 14.13 N ATOM 1121 CA TYR A 68 -14.320 -16.246 -9.976 1.00 2.21 C ATOM 1122 C TYR A 68 -15.132 -15.045 -9.499 1.00 23.52 C ATOM 1123 O TYR A 68 -14.740 -14.349 -8.562 1.00 65.23 O ATOM 1124 CB TYR A 68 -13.422 -15.836 -11.145 1.00 21.25 C ATOM 1125 CG TYR A 68 -12.288 -14.920 -10.744 1.00 43.15 C ATOM 1126 CD1 TYR A 68 -11.168 -15.414 -10.086 1.00 53.21 C ATOM 1127 CD2 TYR A 68 -12.335 -13.560 -11.026 1.00 11.01 C ATOM 1128 CE1 TYR A 68 -10.130 -14.580 -9.718 1.00 73.11 C ATOM 1129 CE2 TYR A 68 -11.301 -12.719 -10.663 1.00 0.01 C ATOM 1130 CZ TYR A 68 -10.201 -13.234 -10.009 1.00 11.41 C ATOM 1131 OH TYR A 68 -9.168 -12.400 -9.645 1.00 54.02 O ATOM 0 H TYR A 68 -15.254 -17.494 -11.378 1.00 14.13 H new ATOM 0 HA TYR A 68 -13.697 -16.591 -9.151 1.00 2.21 H new ATOM 0 HB2 TYR A 68 -13.008 -16.733 -11.606 1.00 21.25 H new ATOM 0 HB3 TYR A 68 -14.029 -15.339 -11.902 1.00 21.25 H new ATOM 0 HD1 TYR A 68 -11.108 -16.468 -9.858 1.00 53.21 H new ATOM 0 HD2 TYR A 68 -13.195 -13.154 -11.538 1.00 11.01 H new ATOM 0 HE1 TYR A 68 -9.268 -14.980 -9.205 1.00 73.11 H new ATOM 0 HE2 TYR A 68 -11.353 -11.664 -10.890 1.00 0.01 H new ATOM 0 HH TYR A 68 -9.374 -11.483 -9.924 1.00 54.02 H new ATOM 1141 N ASP A 69 -16.266 -14.810 -10.150 1.00 23.54 N ATOM 1142 CA ASP A 69 -17.136 -13.696 -9.792 1.00 45.12 C ATOM 1143 C ASP A 69 -17.738 -13.900 -8.405 1.00 42.45 C ATOM 1144 O ASP A 69 -18.076 -12.937 -7.718 1.00 33.04 O ATOM 1145 CB ASP A 69 -18.250 -13.538 -10.828 1.00 20.42 C ATOM 1146 CG ASP A 69 -19.268 -12.489 -10.428 1.00 11.25 C ATOM 1147 OD1 ASP A 69 -20.308 -12.862 -9.846 1.00 33.34 O ATOM 1148 OD2 ASP A 69 -19.024 -11.294 -10.695 1.00 54.14 O ATOM 0 H ASP A 69 -16.604 -15.376 -10.928 1.00 23.54 H new ATOM 0 HA ASP A 69 -16.534 -12.787 -9.776 1.00 45.12 H new ATOM 0 HB2 ASP A 69 -17.813 -13.268 -11.789 1.00 20.42 H new ATOM 0 HB3 ASP A 69 -18.753 -14.495 -10.965 1.00 20.42 H new ATOM 1153 N ALA A 70 -17.869 -15.159 -8.002 1.00 74.13 N ATOM 1154 CA ALA A 70 -18.430 -15.489 -6.698 1.00 21.02 C ATOM 1155 C ALA A 70 -17.521 -15.007 -5.572 1.00 72.10 C ATOM 1156 O ALA A 70 -17.994 -14.519 -4.545 1.00 71.22 O ATOM 1157 CB ALA A 70 -18.661 -16.989 -6.587 1.00 11.33 C ATOM 0 H ALA A 70 -17.594 -15.968 -8.560 1.00 74.13 H new ATOM 0 HA ALA A 70 -19.387 -14.977 -6.601 1.00 21.02 H new ATOM 0 HB1 ALA A 70 -19.080 -17.221 -5.608 1.00 11.33 H new ATOM 0 HB2 ALA A 70 -19.355 -17.309 -7.364 1.00 11.33 H new ATOM 0 HB3 ALA A 70 -17.713 -17.513 -6.709 1.00 11.33 H new ATOM 1163 N TYR A 71 -16.215 -15.147 -5.771 1.00 74.50 N ATOM 1164 CA TYR A 71 -15.241 -14.729 -4.771 1.00 25.12 C ATOM 1165 C TYR A 71 -14.545 -13.439 -5.194 1.00 13.30 C ATOM 1166 O TYR A 71 -13.414 -13.169 -4.792 1.00 14.42 O ATOM 1167 CB TYR A 71 -14.203 -15.831 -4.547 1.00 52.22 C ATOM 1168 CG TYR A 71 -14.809 -17.201 -4.342 1.00 54.34 C ATOM 1169 CD1 TYR A 71 -15.721 -17.433 -3.319 1.00 44.33 C ATOM 1170 CD2 TYR A 71 -14.471 -18.263 -5.171 1.00 24.20 C ATOM 1171 CE1 TYR A 71 -16.277 -18.683 -3.128 1.00 4.22 C ATOM 1172 CE2 TYR A 71 -15.023 -19.516 -4.988 1.00 24.11 C ATOM 1173 CZ TYR A 71 -15.925 -19.721 -3.965 1.00 21.11 C ATOM 1174 OH TYR A 71 -16.476 -20.968 -3.778 1.00 60.13 O ATOM 0 H TYR A 71 -15.807 -15.547 -6.616 1.00 74.50 H new ATOM 0 HA TYR A 71 -15.773 -14.545 -3.838 1.00 25.12 H new ATOM 0 HB2 TYR A 71 -13.531 -15.865 -5.404 1.00 52.22 H new ATOM 0 HB3 TYR A 71 -13.598 -15.577 -3.677 1.00 52.22 H new ATOM 0 HD1 TYR A 71 -16.000 -16.622 -2.662 1.00 44.33 H new ATOM 0 HD2 TYR A 71 -13.764 -18.106 -5.973 1.00 24.20 H new ATOM 0 HE1 TYR A 71 -16.983 -18.847 -2.328 1.00 4.22 H new ATOM 0 HE2 TYR A 71 -14.750 -20.331 -5.642 1.00 24.11 H new ATOM 0 HH TYR A 71 -16.124 -21.586 -4.452 1.00 60.13 H new ATOM 1184 N GLY A 72 -15.232 -12.644 -6.009 1.00 50.13 N ATOM 1185 CA GLY A 72 -14.666 -11.391 -6.474 1.00 14.10 C ATOM 1186 C GLY A 72 -15.041 -10.221 -5.586 1.00 52.11 C ATOM 1187 O GLY A 72 -15.550 -10.409 -4.481 1.00 61.41 O ATOM 0 H GLY A 72 -16.170 -12.845 -6.355 1.00 50.13 H new ATOM 0 HA2 GLY A 72 -13.580 -11.479 -6.515 1.00 14.10 H new ATOM 0 HA3 GLY A 72 -15.008 -11.196 -7.490 1.00 14.10 H new ATOM 1191 N SER A 73 -14.788 -9.009 -6.069 1.00 11.30 N ATOM 1192 CA SER A 73 -15.097 -7.803 -5.309 1.00 33.21 C ATOM 1193 C SER A 73 -16.316 -7.092 -5.890 1.00 64.12 C ATOM 1194 O SER A 73 -17.073 -6.446 -5.168 1.00 22.23 O ATOM 1195 CB SER A 73 -13.895 -6.857 -5.302 1.00 13.20 C ATOM 1196 OG SER A 73 -13.849 -6.083 -6.488 1.00 1.30 O ATOM 0 H SER A 73 -14.370 -8.836 -6.983 1.00 11.30 H new ATOM 0 HA SER A 73 -15.324 -8.097 -4.284 1.00 33.21 H new ATOM 0 HB2 SER A 73 -13.952 -6.198 -4.436 1.00 13.20 H new ATOM 0 HB3 SER A 73 -12.975 -7.433 -5.204 1.00 13.20 H new ATOM 0 HG SER A 73 -13.073 -5.485 -6.459 1.00 1.30 H new TER 1202 SER A 73