USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 672 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 17 HIS : no HD1:sc= -0.244 X(o=-2.5,f=-2.8) USER MOD Set 1.2: A 81 GLN :FLIP amide:sc= -2.25! F(o=-4.1,f=-2.5!) USER MOD Set 2.1: A 16 ASN : amide:sc= -6.95! C(o=-7!,f=-21!) USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -136:sc= 0.306 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 67:sc= 0.0245 USER MOD Single : A 15 SER OG : rot -57:sc= 0.696 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -110:sc= -0.969 (180deg=-2.18!) USER MOD Single : A 28 SER OG : rot 124:sc=0.000499 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -0.118 (180deg=-0.646) USER MOD Single : A 37 THR OG1 : rot 85:sc= 0.0166 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 16:sc= -0.219 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0856 K(o=-0.086,f=-1.9!) USER MOD Single : A 67 THR OG1 : rot -22:sc= 1.12 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0229 F(o=-0.96,f=-0.023) USER MOD Single : A 72 THR OG1 : rot 87:sc= 1.06 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.287 F(o=-1.2,f=-0.29) USER MOD Single : A 75 MET CE :methyl -140:sc= -2.36! (180deg=-2.93!) USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0644) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 139:sc= -0.484 (180deg=-1.67!) USER MOD Single : A 86 SER OG : rot 30:sc= 1.15 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.077 11.371 14.932 1.00 0.00 N ATOM 2 CA GLY A 1 0.736 10.290 14.223 1.00 0.00 C ATOM 3 C GLY A 1 2.131 10.666 13.763 1.00 0.00 C ATOM 4 O GLY A 1 2.300 11.283 12.711 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.873 11.065 15.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.634 11.625 15.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.004 12.198 14.307 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.794 9.416 14.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.135 10.007 13.359 1.00 0.00 H new ATOM 8 N SER A 2 3.133 10.295 14.553 1.00 0.00 N ATOM 9 CA SER A 2 4.521 10.601 14.223 1.00 0.00 C ATOM 10 C SER A 2 5.368 9.333 14.206 1.00 0.00 C ATOM 11 O SER A 2 5.584 8.704 15.242 1.00 0.00 O ATOM 12 CB SER A 2 5.097 11.600 15.228 1.00 0.00 C ATOM 13 OG SER A 2 6.506 11.685 15.112 1.00 0.00 O ATOM 0 H SER A 2 3.010 9.782 15.426 1.00 0.00 H new ATOM 0 HA SER A 2 4.543 11.044 13.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.655 12.583 15.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.830 11.297 16.240 1.00 0.00 H new ATOM 0 HG SER A 2 6.850 12.331 15.764 1.00 0.00 H new ATOM 19 N SER A 3 5.845 8.963 13.022 1.00 0.00 N ATOM 20 CA SER A 3 6.666 7.768 12.868 1.00 0.00 C ATOM 21 C SER A 3 8.105 8.039 13.294 1.00 0.00 C ATOM 22 O SER A 3 8.547 9.187 13.337 1.00 0.00 O ATOM 23 CB SER A 3 6.634 7.285 11.417 1.00 0.00 C ATOM 24 OG SER A 3 7.363 8.159 10.572 1.00 0.00 O ATOM 0 H SER A 3 5.677 9.474 12.155 1.00 0.00 H new ATOM 0 HA SER A 3 6.255 6.990 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.053 6.281 11.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.601 7.221 11.075 1.00 0.00 H new ATOM 0 HG SER A 3 6.850 8.326 9.754 1.00 0.00 H new ATOM 30 N GLY A 4 8.834 6.971 13.608 1.00 0.00 N ATOM 31 CA GLY A 4 10.216 7.114 14.027 1.00 0.00 C ATOM 32 C GLY A 4 11.113 7.606 12.908 1.00 0.00 C ATOM 33 O GLY A 4 11.249 6.946 11.878 1.00 0.00 O ATOM 0 H GLY A 4 8.492 6.011 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.269 7.811 14.864 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.584 6.154 14.388 1.00 0.00 H new ATOM 37 N SER A 5 11.727 8.767 13.110 1.00 0.00 N ATOM 38 CA SER A 5 12.611 9.349 12.108 1.00 0.00 C ATOM 39 C SER A 5 13.445 8.268 11.426 1.00 0.00 C ATOM 40 O SER A 5 14.411 7.762 11.997 1.00 0.00 O ATOM 41 CB SER A 5 13.530 10.388 12.750 1.00 0.00 C ATOM 42 OG SER A 5 13.967 11.342 11.797 1.00 0.00 O ATOM 0 H SER A 5 11.628 9.323 13.959 1.00 0.00 H new ATOM 0 HA SER A 5 11.993 9.837 11.354 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.003 10.893 13.559 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.393 9.891 13.193 1.00 0.00 H new ATOM 0 HG SER A 5 14.552 11.996 12.233 1.00 0.00 H new ATOM 48 N SER A 6 13.064 7.919 10.201 1.00 0.00 N ATOM 49 CA SER A 6 13.773 6.896 9.442 1.00 0.00 C ATOM 50 C SER A 6 14.442 7.499 8.211 1.00 0.00 C ATOM 51 O SER A 6 15.663 7.455 8.068 1.00 0.00 O ATOM 52 CB SER A 6 12.810 5.784 9.021 1.00 0.00 C ATOM 53 OG SER A 6 12.711 4.788 10.024 1.00 0.00 O ATOM 0 H SER A 6 12.268 8.330 9.713 1.00 0.00 H new ATOM 0 HA SER A 6 14.546 6.473 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.825 6.207 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.154 5.334 8.090 1.00 0.00 H new ATOM 0 HG SER A 6 12.280 5.166 10.819 1.00 0.00 H new ATOM 59 N GLY A 7 13.630 8.063 7.321 1.00 0.00 N ATOM 60 CA GLY A 7 14.160 8.667 6.113 1.00 0.00 C ATOM 61 C GLY A 7 13.067 9.167 5.188 1.00 0.00 C ATOM 62 O GLY A 7 11.923 9.367 5.595 1.00 0.00 O ATOM 0 H GLY A 7 12.616 8.112 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.813 9.498 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.774 7.937 5.585 1.00 0.00 H new ATOM 66 N PRO A 8 13.419 9.381 3.912 1.00 0.00 N ATOM 67 CA PRO A 8 12.475 9.866 2.900 1.00 0.00 C ATOM 68 C PRO A 8 11.425 8.820 2.539 1.00 0.00 C ATOM 69 O PRO A 8 11.675 7.618 2.629 1.00 0.00 O ATOM 70 CB PRO A 8 13.368 10.164 1.694 1.00 0.00 C ATOM 71 CG PRO A 8 14.554 9.279 1.872 1.00 0.00 C ATOM 72 CD PRO A 8 14.766 9.165 3.356 1.00 0.00 C ATOM 0 HA PRO A 8 11.909 10.729 3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.852 9.951 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.658 11.214 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.381 8.300 1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.432 9.701 1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.162 8.187 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.474 9.910 3.719 1.00 0.00 H new ATOM 80 N ALA A 9 10.249 9.285 2.129 1.00 0.00 N ATOM 81 CA ALA A 9 9.163 8.390 1.752 1.00 0.00 C ATOM 82 C ALA A 9 9.369 7.838 0.345 1.00 0.00 C ATOM 83 O ALA A 9 9.929 8.512 -0.520 1.00 0.00 O ATOM 84 CB ALA A 9 7.827 9.111 1.848 1.00 0.00 C ATOM 0 H ALA A 9 10.025 10.277 2.050 1.00 0.00 H new ATOM 0 HA ALA A 9 9.160 7.550 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.025 8.430 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.669 9.450 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.828 9.970 1.178 1.00 0.00 H new ATOM 90 N ARG A 10 8.914 6.609 0.124 1.00 0.00 N ATOM 91 CA ARG A 10 9.052 5.967 -1.178 1.00 0.00 C ATOM 92 C ARG A 10 7.725 5.978 -1.932 1.00 0.00 C ATOM 93 O ARG A 10 6.647 5.923 -1.340 1.00 0.00 O ATOM 94 CB ARG A 10 9.544 4.529 -1.011 1.00 0.00 C ATOM 95 CG ARG A 10 11.040 4.421 -0.770 1.00 0.00 C ATOM 96 CD ARG A 10 11.475 2.972 -0.608 1.00 0.00 C ATOM 97 NE ARG A 10 12.918 2.812 -0.772 1.00 0.00 N ATOM 98 CZ ARG A 10 13.497 1.664 -1.101 1.00 0.00 C ATOM 99 NH1 ARG A 10 12.761 0.578 -1.300 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.816 1.598 -1.231 1.00 0.00 N ATOM 0 H ARG A 10 8.447 6.038 0.829 1.00 0.00 H new ATOM 0 HA ARG A 10 9.784 6.529 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.016 4.068 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.287 3.960 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.578 4.872 -1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.307 4.984 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.180 2.613 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.956 2.354 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 10 13.513 3.627 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.747 0.624 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.209 -0.303 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.386 2.430 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.260 0.715 -1.484 1.00 0.00 H new ATOM 114 N PRO A 11 7.804 6.054 -3.269 1.00 0.00 N ATOM 115 CA PRO A 11 6.619 6.075 -4.132 1.00 0.00 C ATOM 116 C PRO A 11 5.894 4.734 -4.153 1.00 0.00 C ATOM 117 O PRO A 11 6.511 3.685 -4.341 1.00 0.00 O ATOM 118 CB PRO A 11 7.194 6.393 -5.515 1.00 0.00 C ATOM 119 CG PRO A 11 8.603 5.914 -5.458 1.00 0.00 C ATOM 120 CD PRO A 11 9.056 6.124 -4.041 1.00 0.00 C ATOM 0 HA PRO A 11 5.876 6.795 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.635 5.887 -6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.147 7.461 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.669 4.862 -5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.232 6.468 -6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.765 5.357 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.552 7.087 -3.916 1.00 0.00 H new ATOM 128 N PHE A 12 4.579 4.774 -3.957 1.00 0.00 N ATOM 129 CA PHE A 12 3.770 3.561 -3.953 1.00 0.00 C ATOM 130 C PHE A 12 2.372 3.840 -4.498 1.00 0.00 C ATOM 131 O PHE A 12 1.804 4.906 -4.265 1.00 0.00 O ATOM 132 CB PHE A 12 3.672 2.993 -2.535 1.00 0.00 C ATOM 133 CG PHE A 12 5.009 2.741 -1.898 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.851 1.755 -2.389 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.423 3.488 -0.807 1.00 0.00 C ATOM 136 CE1 PHE A 12 7.081 1.521 -1.804 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.653 3.258 -0.219 1.00 0.00 C ATOM 138 CZ PHE A 12 7.482 2.273 -0.717 1.00 0.00 C ATOM 0 H PHE A 12 4.052 5.633 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 12 4.254 2.828 -4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.106 3.686 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.110 2.059 -2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.542 1.163 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.778 4.258 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.728 0.751 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.965 3.849 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.442 2.091 -0.258 1.00 0.00 H new ATOM 148 N ARG A 13 1.825 2.871 -5.226 1.00 0.00 N ATOM 149 CA ARG A 13 0.495 3.011 -5.807 1.00 0.00 C ATOM 150 C ARG A 13 -0.542 2.255 -4.981 1.00 0.00 C ATOM 151 O ARG A 13 -0.236 1.234 -4.366 1.00 0.00 O ATOM 152 CB ARG A 13 0.488 2.497 -7.247 1.00 0.00 C ATOM 153 CG ARG A 13 0.820 3.565 -8.277 1.00 0.00 C ATOM 154 CD ARG A 13 -0.356 4.501 -8.507 1.00 0.00 C ATOM 155 NE ARG A 13 -0.048 5.534 -9.494 1.00 0.00 N ATOM 156 CZ ARG A 13 0.122 5.287 -10.787 1.00 0.00 C ATOM 157 NH1 ARG A 13 0.015 4.049 -11.249 1.00 0.00 N ATOM 158 NH2 ARG A 13 0.399 6.280 -11.623 1.00 0.00 N ATOM 0 H ARG A 13 2.282 1.982 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 13 0.235 4.069 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.207 1.682 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.495 2.082 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.684 4.139 -7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.098 3.091 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.218 3.924 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.635 4.972 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 13 0.041 6.498 -9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.199 3.283 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.146 3.863 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.481 7.234 -11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.529 6.089 -12.616 1.00 0.00 H new ATOM 172 N VAL A 14 -1.769 2.766 -4.971 1.00 0.00 N ATOM 173 CA VAL A 14 -2.851 2.138 -4.222 1.00 0.00 C ATOM 174 C VAL A 14 -4.117 2.036 -5.066 1.00 0.00 C ATOM 175 O VAL A 14 -4.498 2.985 -5.749 1.00 0.00 O ATOM 176 CB VAL A 14 -3.169 2.922 -2.933 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.112 2.127 -2.044 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.887 3.267 -2.191 1.00 0.00 C ATOM 0 H VAL A 14 -2.038 3.612 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.513 1.136 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.665 3.853 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.325 2.696 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.042 1.935 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.646 1.179 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.129 3.820 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.361 2.349 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.250 3.879 -2.830 1.00 0.00 H new ATOM 188 N SER A 15 -4.764 0.876 -5.012 1.00 0.00 N ATOM 189 CA SER A 15 -5.986 0.647 -5.774 1.00 0.00 C ATOM 190 C SER A 15 -7.060 0.008 -4.899 1.00 0.00 C ATOM 191 O SER A 15 -6.770 -0.858 -4.074 1.00 0.00 O ATOM 192 CB SER A 15 -5.699 -0.246 -6.982 1.00 0.00 C ATOM 193 OG SER A 15 -4.965 0.455 -7.972 1.00 0.00 O ATOM 0 H SER A 15 -4.463 0.081 -4.449 1.00 0.00 H new ATOM 0 HA SER A 15 -6.353 1.612 -6.123 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.138 -1.125 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.638 -0.603 -7.406 1.00 0.00 H new ATOM 0 HG SER A 15 -5.457 1.261 -8.234 1.00 0.00 H new ATOM 199 N ASN A 16 -8.303 0.441 -5.087 1.00 0.00 N ATOM 200 CA ASN A 16 -9.421 -0.087 -4.315 1.00 0.00 C ATOM 201 C ASN A 16 -9.584 -1.586 -4.550 1.00 0.00 C ATOM 202 O ASN A 16 -8.875 -2.178 -5.364 1.00 0.00 O ATOM 203 CB ASN A 16 -10.714 0.642 -4.686 1.00 0.00 C ATOM 204 CG ASN A 16 -11.171 0.326 -6.097 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.926 -0.765 -6.612 1.00 0.00 O ATOM 206 ND2 ASN A 16 -11.840 1.283 -6.731 1.00 0.00 N ATOM 0 H ASN A 16 -8.561 1.156 -5.767 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.210 0.077 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.499 0.365 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.563 1.717 -4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.173 1.128 -7.683 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.021 2.173 -6.266 1.00 0.00 H new ATOM 213 N HIS A 17 -10.523 -2.194 -3.832 1.00 0.00 N ATOM 214 CA HIS A 17 -10.781 -3.623 -3.962 1.00 0.00 C ATOM 215 C HIS A 17 -11.212 -3.969 -5.384 1.00 0.00 C ATOM 216 O HIS A 17 -10.947 -5.068 -5.875 1.00 0.00 O ATOM 217 CB HIS A 17 -11.857 -4.062 -2.969 1.00 0.00 C ATOM 218 CG HIS A 17 -13.249 -3.973 -3.516 1.00 0.00 C ATOM 219 ND1 HIS A 17 -13.885 -5.031 -4.131 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.128 -2.945 -3.537 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.094 -4.657 -4.507 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.267 -3.395 -4.158 1.00 0.00 N ATOM 0 H HIS A 17 -11.118 -1.719 -3.154 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.856 -4.156 -3.741 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.660 -5.090 -2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.787 -3.444 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.964 -1.954 -3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.818 -5.277 -5.014 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.110 -2.844 -4.323 1.00 0.00 H new ATOM 231 N ASP A 18 -11.879 -3.027 -6.041 1.00 0.00 N ATOM 232 CA ASP A 18 -12.347 -3.232 -7.407 1.00 0.00 C ATOM 233 C ASP A 18 -11.263 -2.864 -8.414 1.00 0.00 C ATOM 234 O ASP A 18 -11.523 -2.765 -9.613 1.00 0.00 O ATOM 235 CB ASP A 18 -13.606 -2.403 -7.667 1.00 0.00 C ATOM 236 CG ASP A 18 -14.203 -2.670 -9.035 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.859 -3.720 -9.202 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.014 -1.830 -9.938 1.00 0.00 O ATOM 0 H ASP A 18 -12.108 -2.113 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.586 -4.289 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.348 -2.625 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.364 -1.344 -7.580 1.00 0.00 H new ATOM 243 N ARG A 19 -10.047 -2.661 -7.919 1.00 0.00 N ATOM 244 CA ARG A 19 -8.923 -2.302 -8.776 1.00 0.00 C ATOM 245 C ARG A 19 -9.355 -1.309 -9.850 1.00 0.00 C ATOM 246 O ARG A 19 -9.065 -1.493 -11.033 1.00 0.00 O ATOM 247 CB ARG A 19 -8.332 -3.552 -9.429 1.00 0.00 C ATOM 248 CG ARG A 19 -7.282 -4.246 -8.576 1.00 0.00 C ATOM 249 CD ARG A 19 -6.883 -5.589 -9.167 1.00 0.00 C ATOM 250 NE ARG A 19 -6.029 -5.438 -10.342 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.351 -6.440 -10.891 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.428 -7.658 -10.375 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.595 -6.223 -11.960 1.00 0.00 N ATOM 0 H ARG A 19 -9.814 -2.739 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.161 -1.831 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.137 -4.255 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.887 -3.276 -10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.402 -3.609 -8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.669 -4.392 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.360 -6.176 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.780 -6.146 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.949 -4.513 -10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.009 -7.828 -9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.906 -8.425 -10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.534 -5.287 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.075 -6.992 -12.381 1.00 0.00 H new ATOM 267 N SER A 20 -10.051 -0.256 -9.432 1.00 0.00 N ATOM 268 CA SER A 20 -10.526 0.764 -10.360 1.00 0.00 C ATOM 269 C SER A 20 -9.895 2.118 -10.049 1.00 0.00 C ATOM 270 O SER A 20 -9.620 2.908 -10.951 1.00 0.00 O ATOM 271 CB SER A 20 -12.051 0.872 -10.293 1.00 0.00 C ATOM 272 OG SER A 20 -12.585 1.309 -11.531 1.00 0.00 O ATOM 0 H SER A 20 -10.298 -0.087 -8.457 1.00 0.00 H new ATOM 0 HA SER A 20 -10.233 0.469 -11.368 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.476 -0.097 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.335 1.569 -9.504 1.00 0.00 H new ATOM 0 HG SER A 20 -13.561 1.368 -11.464 1.00 0.00 H new ATOM 278 N SER A 21 -9.669 2.377 -8.765 1.00 0.00 N ATOM 279 CA SER A 21 -9.074 3.637 -8.332 1.00 0.00 C ATOM 280 C SER A 21 -7.552 3.535 -8.298 1.00 0.00 C ATOM 281 O SER A 21 -6.994 2.447 -8.149 1.00 0.00 O ATOM 282 CB SER A 21 -9.602 4.027 -6.951 1.00 0.00 C ATOM 283 OG SER A 21 -10.948 4.463 -7.024 1.00 0.00 O ATOM 0 H SER A 21 -9.889 1.732 -8.006 1.00 0.00 H new ATOM 0 HA SER A 21 -9.353 4.408 -9.050 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.529 3.174 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.982 4.819 -6.532 1.00 0.00 H new ATOM 0 HG SER A 21 -11.263 4.705 -6.128 1.00 0.00 H new ATOM 289 N ARG A 22 -6.885 4.676 -8.437 1.00 0.00 N ATOM 290 CA ARG A 22 -5.428 4.717 -8.423 1.00 0.00 C ATOM 291 C ARG A 22 -4.926 5.943 -7.665 1.00 0.00 C ATOM 292 O ARG A 22 -5.130 7.077 -8.096 1.00 0.00 O ATOM 293 CB ARG A 22 -4.884 4.730 -9.853 1.00 0.00 C ATOM 294 CG ARG A 22 -5.140 3.439 -10.613 1.00 0.00 C ATOM 295 CD ARG A 22 -4.963 3.630 -12.112 1.00 0.00 C ATOM 296 NE ARG A 22 -6.039 4.429 -12.692 1.00 0.00 N ATOM 297 CZ ARG A 22 -7.264 3.962 -12.912 1.00 0.00 C ATOM 298 NH1 ARG A 22 -7.566 2.710 -12.600 1.00 0.00 N ATOM 299 NH2 ARG A 22 -8.189 4.750 -13.443 1.00 0.00 N ATOM 0 H ARG A 22 -7.331 5.585 -8.561 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.069 3.823 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.337 5.558 -10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.811 4.917 -9.823 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.457 2.666 -10.260 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.151 3.089 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.006 4.115 -12.305 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.931 2.656 -12.600 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.840 5.398 -12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.858 2.102 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.507 2.355 -12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.961 5.715 -13.683 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.129 4.391 -13.612 1.00 0.00 H new ATOM 313 N ARG A 23 -4.270 5.704 -6.535 1.00 0.00 N ATOM 314 CA ARG A 23 -3.739 6.788 -5.716 1.00 0.00 C ATOM 315 C ARG A 23 -2.297 6.506 -5.308 1.00 0.00 C ATOM 316 O ARG A 23 -2.009 5.496 -4.667 1.00 0.00 O ATOM 317 CB ARG A 23 -4.605 6.984 -4.469 1.00 0.00 C ATOM 318 CG ARG A 23 -4.632 8.418 -3.967 1.00 0.00 C ATOM 319 CD ARG A 23 -3.291 8.829 -3.380 1.00 0.00 C ATOM 320 NE ARG A 23 -2.411 9.416 -4.385 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.696 10.529 -5.054 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.834 11.171 -4.823 1.00 0.00 N ATOM 323 NH2 ARG A 23 -1.843 11.002 -5.953 1.00 0.00 N ATOM 0 H ARG A 23 -4.093 4.770 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.757 7.701 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.624 6.666 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.235 6.336 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.891 9.087 -4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.409 8.525 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.452 9.547 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.807 7.958 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.528 8.946 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.491 10.811 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.051 12.025 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.967 10.512 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.063 11.856 -6.465 1.00 0.00 H new ATOM 337 N GLY A 24 -1.393 7.406 -5.685 1.00 0.00 N ATOM 338 CA GLY A 24 0.009 7.234 -5.350 1.00 0.00 C ATOM 339 C GLY A 24 0.396 7.970 -4.082 1.00 0.00 C ATOM 340 O GLY A 24 0.442 9.200 -4.058 1.00 0.00 O ATOM 0 H GLY A 24 -1.606 8.250 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.223 6.172 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.623 7.592 -6.176 1.00 0.00 H new ATOM 344 N VAL A 25 0.672 7.215 -3.023 1.00 0.00 N ATOM 345 CA VAL A 25 1.057 7.803 -1.745 1.00 0.00 C ATOM 346 C VAL A 25 2.533 7.560 -1.451 1.00 0.00 C ATOM 347 O VAL A 25 3.074 6.502 -1.770 1.00 0.00 O ATOM 348 CB VAL A 25 0.213 7.234 -0.590 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.412 8.058 0.673 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.256 7.184 -0.978 1.00 0.00 C ATOM 0 H VAL A 25 0.636 6.196 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 25 0.878 8.875 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 25 0.546 6.216 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.192 7.641 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.463 8.036 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.108 9.088 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.838 6.779 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.606 8.190 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.380 6.547 -1.854 1.00 0.00 H new ATOM 360 N MET A 26 3.179 8.548 -0.839 1.00 0.00 N ATOM 361 CA MET A 26 4.593 8.441 -0.499 1.00 0.00 C ATOM 362 C MET A 26 4.779 8.266 1.004 1.00 0.00 C ATOM 363 O MET A 26 4.685 9.228 1.767 1.00 0.00 O ATOM 364 CB MET A 26 5.350 9.681 -0.979 1.00 0.00 C ATOM 365 CG MET A 26 5.380 9.828 -2.491 1.00 0.00 C ATOM 366 SD MET A 26 6.813 10.756 -3.070 1.00 0.00 S ATOM 367 CE MET A 26 8.148 9.699 -2.512 1.00 0.00 C ATOM 0 H MET A 26 2.746 9.431 -0.569 1.00 0.00 H new ATOM 0 HA MET A 26 4.997 7.562 -1.001 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.889 10.568 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.373 9.639 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.384 8.839 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.470 10.329 -2.822 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.682 10.187 -1.697 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.740 8.751 -2.162 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.836 9.515 -3.337 1.00 0.00 H new ATOM 377 N ALA A 27 5.042 7.033 1.425 1.00 0.00 N ATOM 378 CA ALA A 27 5.242 6.734 2.837 1.00 0.00 C ATOM 379 C ALA A 27 6.646 6.195 3.090 1.00 0.00 C ATOM 380 O ALA A 27 7.255 5.587 2.211 1.00 0.00 O ATOM 381 CB ALA A 27 4.198 5.738 3.319 1.00 0.00 C ATOM 0 H ALA A 27 5.121 6.225 0.808 1.00 0.00 H new ATOM 0 HA ALA A 27 5.130 7.661 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.360 5.524 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.202 6.160 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.283 4.815 2.745 1.00 0.00 H new ATOM 387 N SER A 28 7.154 6.423 4.297 1.00 0.00 N ATOM 388 CA SER A 28 8.489 5.965 4.664 1.00 0.00 C ATOM 389 C SER A 28 8.462 4.500 5.088 1.00 0.00 C ATOM 390 O SER A 28 9.440 3.773 4.914 1.00 0.00 O ATOM 391 CB SER A 28 9.054 6.826 5.795 1.00 0.00 C ATOM 392 OG SER A 28 10.381 6.445 6.112 1.00 0.00 O ATOM 0 H SER A 28 6.661 6.922 5.037 1.00 0.00 H new ATOM 0 HA SER A 28 9.133 6.060 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.034 7.876 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.424 6.730 6.679 1.00 0.00 H new ATOM 0 HG SER A 28 10.972 7.223 6.036 1.00 0.00 H new ATOM 398 N SER A 29 7.334 4.074 5.649 1.00 0.00 N ATOM 399 CA SER A 29 7.180 2.697 6.102 1.00 0.00 C ATOM 400 C SER A 29 5.792 2.164 5.761 1.00 0.00 C ATOM 401 O SER A 29 4.986 2.855 5.138 1.00 0.00 O ATOM 402 CB SER A 29 7.417 2.605 7.611 1.00 0.00 C ATOM 403 OG SER A 29 8.531 3.390 8.001 1.00 0.00 O ATOM 0 H SER A 29 6.515 4.662 5.800 1.00 0.00 H new ATOM 0 HA SER A 29 7.921 2.086 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.527 2.941 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.584 1.566 7.893 1.00 0.00 H new ATOM 0 HG SER A 29 8.661 3.316 8.970 1.00 0.00 H new ATOM 409 N LEU A 30 5.520 0.931 6.174 1.00 0.00 N ATOM 410 CA LEU A 30 4.229 0.304 5.912 1.00 0.00 C ATOM 411 C LEU A 30 3.115 1.014 6.674 1.00 0.00 C ATOM 412 O LEU A 30 2.157 1.503 6.077 1.00 0.00 O ATOM 413 CB LEU A 30 4.270 -1.174 6.305 1.00 0.00 C ATOM 414 CG LEU A 30 2.915 -1.842 6.546 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.263 -2.220 5.226 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.075 -3.066 7.435 1.00 0.00 C ATOM 0 H LEU A 30 6.176 0.346 6.691 1.00 0.00 H new ATOM 0 HA LEU A 30 4.022 0.385 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.789 -1.724 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.867 -1.272 7.211 1.00 0.00 H new ATOM 0 HG LEU A 30 2.266 -1.130 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.300 -2.694 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.113 -1.323 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.908 -2.914 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.101 -3.529 7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.741 -3.781 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.497 -2.766 8.394 1.00 0.00 H new ATOM 428 N GLN A 31 3.248 1.066 7.995 1.00 0.00 N ATOM 429 CA GLN A 31 2.253 1.717 8.838 1.00 0.00 C ATOM 430 C GLN A 31 1.939 3.119 8.325 1.00 0.00 C ATOM 431 O GLN A 31 0.774 3.506 8.224 1.00 0.00 O ATOM 432 CB GLN A 31 2.747 1.790 10.284 1.00 0.00 C ATOM 433 CG GLN A 31 1.759 2.450 11.232 1.00 0.00 C ATOM 434 CD GLN A 31 0.690 1.491 11.719 1.00 0.00 C ATOM 435 OE1 GLN A 31 0.956 0.611 12.539 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.529 1.657 11.217 1.00 0.00 N ATOM 0 H GLN A 31 4.035 0.665 8.505 1.00 0.00 H new ATOM 0 HA GLN A 31 1.340 1.123 8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.959 0.781 10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.687 2.341 10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.298 2.854 12.089 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.285 3.292 10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.705 2.399 10.540 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.289 1.042 11.509 1.00 0.00 H new ATOM 445 N GLU A 32 2.983 3.875 8.001 1.00 0.00 N ATOM 446 CA GLU A 32 2.817 5.233 7.500 1.00 0.00 C ATOM 447 C GLU A 32 1.895 5.255 6.284 1.00 0.00 C ATOM 448 O GLU A 32 0.969 6.063 6.207 1.00 0.00 O ATOM 449 CB GLU A 32 4.175 5.836 7.134 1.00 0.00 C ATOM 450 CG GLU A 32 4.091 7.268 6.633 1.00 0.00 C ATOM 451 CD GLU A 32 5.335 8.073 6.956 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.527 8.423 8.139 1.00 0.00 O ATOM 453 OE2 GLU A 32 6.118 8.352 6.024 1.00 0.00 O ATOM 0 H GLU A 32 3.953 3.569 8.077 1.00 0.00 H new ATOM 0 HA GLU A 32 2.363 5.831 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.825 5.804 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.642 5.219 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.936 7.263 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.223 7.754 7.078 1.00 0.00 H new ATOM 460 N LEU A 33 2.155 4.362 5.335 1.00 0.00 N ATOM 461 CA LEU A 33 1.350 4.279 4.122 1.00 0.00 C ATOM 462 C LEU A 33 -0.113 4.009 4.457 1.00 0.00 C ATOM 463 O LEU A 33 -0.964 4.887 4.319 1.00 0.00 O ATOM 464 CB LEU A 33 1.887 3.177 3.206 1.00 0.00 C ATOM 465 CG LEU A 33 1.013 2.822 2.002 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.131 3.887 0.923 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.397 1.457 1.450 1.00 0.00 C ATOM 0 H LEU A 33 2.917 3.686 5.383 1.00 0.00 H new ATOM 0 HA LEU A 33 1.414 5.237 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.868 3.481 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.034 2.276 3.802 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.026 2.781 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.502 3.617 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.807 4.848 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.168 3.961 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.765 1.220 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.441 1.471 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.260 0.700 2.223 1.00 0.00 H new ATOM 479 N ILE A 34 -0.397 2.788 4.900 1.00 0.00 N ATOM 480 CA ILE A 34 -1.757 2.405 5.258 1.00 0.00 C ATOM 481 C ILE A 34 -2.521 3.580 5.857 1.00 0.00 C ATOM 482 O ILE A 34 -3.492 4.065 5.276 1.00 0.00 O ATOM 483 CB ILE A 34 -1.767 1.236 6.262 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.137 -0.010 5.634 1.00 0.00 C ATOM 485 CG2 ILE A 34 -3.187 0.943 6.721 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.816 -1.095 6.636 1.00 0.00 C ATOM 0 H ILE A 34 0.296 2.049 5.019 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.247 2.088 4.337 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.176 1.520 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.816 -0.411 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.222 0.277 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.177 0.115 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.604 1.828 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.800 0.676 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.373 -1.947 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.112 -0.711 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.731 -1.410 7.137 1.00 0.00 H new ATOM 498 N SER A 35 -2.075 4.036 7.024 1.00 0.00 N ATOM 499 CA SER A 35 -2.717 5.154 7.705 1.00 0.00 C ATOM 500 C SER A 35 -3.000 6.294 6.729 1.00 0.00 C ATOM 501 O SER A 35 -4.105 6.835 6.692 1.00 0.00 O ATOM 502 CB SER A 35 -1.836 5.656 8.850 1.00 0.00 C ATOM 503 OG SER A 35 -2.383 6.822 9.441 1.00 0.00 O ATOM 0 H SER A 35 -1.271 3.648 7.517 1.00 0.00 H new ATOM 0 HA SER A 35 -3.665 4.803 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.735 4.876 9.604 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.835 5.870 8.476 1.00 0.00 H new ATOM 0 HG SER A 35 -1.802 7.122 10.171 1.00 0.00 H new ATOM 509 N LYS A 36 -1.992 6.652 5.939 1.00 0.00 N ATOM 510 CA LYS A 36 -2.130 7.725 4.962 1.00 0.00 C ATOM 511 C LYS A 36 -3.239 7.412 3.962 1.00 0.00 C ATOM 512 O LYS A 36 -4.151 8.213 3.759 1.00 0.00 O ATOM 513 CB LYS A 36 -0.808 7.941 4.222 1.00 0.00 C ATOM 514 CG LYS A 36 0.246 8.651 5.055 1.00 0.00 C ATOM 515 CD LYS A 36 1.629 8.508 4.443 1.00 0.00 C ATOM 516 CE LYS A 36 1.928 9.642 3.472 1.00 0.00 C ATOM 517 NZ LYS A 36 1.967 10.963 4.158 1.00 0.00 N ATOM 0 H LYS A 36 -1.071 6.214 5.957 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.394 8.637 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.417 6.975 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.997 8.521 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.008 9.708 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.250 8.241 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.379 8.497 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.701 7.553 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.884 9.458 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.168 9.661 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.560 11.620 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.003 11.346 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.365 10.847 5.112 1.00 0.00 H new ATOM 531 N THR A 37 -3.155 6.239 3.341 1.00 0.00 N ATOM 532 CA THR A 37 -4.151 5.820 2.363 1.00 0.00 C ATOM 533 C THR A 37 -5.554 6.228 2.796 1.00 0.00 C ATOM 534 O THR A 37 -6.239 6.974 2.096 1.00 0.00 O ATOM 535 CB THR A 37 -4.117 4.295 2.145 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.763 3.851 1.999 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.919 3.906 0.913 1.00 0.00 C ATOM 0 H THR A 37 -2.408 5.563 3.498 1.00 0.00 H new ATOM 0 HA THR A 37 -3.903 6.320 1.427 1.00 0.00 H new ATOM 0 HB THR A 37 -4.564 3.816 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.371 3.700 2.884 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.880 2.825 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.955 4.219 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.497 4.395 0.035 1.00 0.00 H new ATOM 545 N LEU A 38 -5.976 5.737 3.956 1.00 0.00 N ATOM 546 CA LEU A 38 -7.299 6.052 4.485 1.00 0.00 C ATOM 547 C LEU A 38 -7.663 7.506 4.207 1.00 0.00 C ATOM 548 O LEU A 38 -8.788 7.809 3.808 1.00 0.00 O ATOM 549 CB LEU A 38 -7.346 5.780 5.989 1.00 0.00 C ATOM 550 CG LEU A 38 -7.583 4.327 6.402 1.00 0.00 C ATOM 551 CD1 LEU A 38 -7.040 4.074 7.800 1.00 0.00 C ATOM 552 CD2 LEU A 38 -9.064 3.987 6.333 1.00 0.00 C ATOM 0 H LEU A 38 -5.421 5.119 4.548 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.026 5.413 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.405 6.112 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.135 6.394 6.424 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.050 3.680 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.218 3.035 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.969 4.276 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.544 4.730 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.213 2.949 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.619 4.641 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.422 4.127 5.313 1.00 0.00 H new ATOM 564 N ASP A 39 -6.706 8.402 4.419 1.00 0.00 N ATOM 565 CA ASP A 39 -6.924 9.825 4.189 1.00 0.00 C ATOM 566 C ASP A 39 -7.031 10.124 2.697 1.00 0.00 C ATOM 567 O ASP A 39 -7.851 10.939 2.274 1.00 0.00 O ATOM 568 CB ASP A 39 -5.789 10.644 4.806 1.00 0.00 C ATOM 569 CG ASP A 39 -6.226 12.047 5.182 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.041 12.184 6.119 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.752 13.007 4.540 1.00 0.00 O ATOM 0 H ASP A 39 -5.770 8.168 4.750 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.863 10.105 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.416 10.132 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.961 10.701 4.100 1.00 0.00 H new ATOM 576 N ALA A 40 -6.197 9.459 1.904 1.00 0.00 N ATOM 577 CA ALA A 40 -6.198 9.653 0.459 1.00 0.00 C ATOM 578 C ALA A 40 -7.528 9.222 -0.151 1.00 0.00 C ATOM 579 O ALA A 40 -8.245 10.034 -0.737 1.00 0.00 O ATOM 580 CB ALA A 40 -5.049 8.884 -0.178 1.00 0.00 C ATOM 0 H ALA A 40 -5.512 8.781 2.238 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.064 10.716 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.062 9.038 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.103 9.241 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.158 7.821 0.038 1.00 0.00 H new ATOM 586 N LEU A 41 -7.850 7.942 -0.011 1.00 0.00 N ATOM 587 CA LEU A 41 -9.094 7.403 -0.550 1.00 0.00 C ATOM 588 C LEU A 41 -10.296 7.919 0.235 1.00 0.00 C ATOM 589 O LEU A 41 -11.444 7.669 -0.132 1.00 0.00 O ATOM 590 CB LEU A 41 -9.068 5.874 -0.516 1.00 0.00 C ATOM 591 CG LEU A 41 -8.487 5.186 -1.753 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.950 3.808 -1.395 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.538 5.083 -2.848 1.00 0.00 C ATOM 0 H LEU A 41 -7.268 7.257 0.471 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.187 7.736 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.492 5.559 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.087 5.516 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.660 5.790 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.541 3.334 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.166 3.907 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.758 3.195 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.108 4.591 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.386 4.502 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.875 6.082 -3.124 1.00 0.00 H new ATOM 605 N VAL A 42 -10.023 8.641 1.317 1.00 0.00 N ATOM 606 CA VAL A 42 -11.083 9.195 2.154 1.00 0.00 C ATOM 607 C VAL A 42 -12.123 8.135 2.497 1.00 0.00 C ATOM 608 O VAL A 42 -13.326 8.372 2.382 1.00 0.00 O ATOM 609 CB VAL A 42 -11.782 10.380 1.460 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.479 11.261 2.485 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.782 11.185 0.646 1.00 0.00 C ATOM 0 H VAL A 42 -9.078 8.856 1.635 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.612 9.547 3.072 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.537 9.987 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.967 12.093 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.225 10.675 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.745 11.648 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.293 12.018 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.003 11.570 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.332 10.545 -0.113 1.00 0.00 H new ATOM 621 N ILE A 43 -11.651 6.967 2.920 1.00 0.00 N ATOM 622 CA ILE A 43 -12.542 5.871 3.282 1.00 0.00 C ATOM 623 C ILE A 43 -13.327 6.197 4.548 1.00 0.00 C ATOM 624 O ILE A 43 -12.755 6.607 5.558 1.00 0.00 O ATOM 625 CB ILE A 43 -11.763 4.561 3.498 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.830 4.295 2.315 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.725 3.398 3.693 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.763 3.264 2.605 1.00 0.00 C ATOM 0 H ILE A 43 -10.658 6.755 3.020 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.235 5.739 2.451 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.157 4.661 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.423 3.962 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.351 5.230 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.159 2.479 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.351 3.586 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.355 3.295 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.139 3.127 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.145 3.604 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.234 2.317 2.867 1.00 0.00 H new ATOM 640 N ALA A 44 -14.642 6.009 4.487 1.00 0.00 N ATOM 641 CA ALA A 44 -15.506 6.279 5.629 1.00 0.00 C ATOM 642 C ALA A 44 -15.103 5.435 6.834 1.00 0.00 C ATOM 643 O ALA A 44 -14.994 5.941 7.951 1.00 0.00 O ATOM 644 CB ALA A 44 -16.960 6.021 5.263 1.00 0.00 C ATOM 0 H ALA A 44 -15.131 5.671 3.658 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.392 7.329 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.594 6.227 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.248 6.671 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.081 4.980 4.964 1.00 0.00 H new ATOM 650 N THR A 45 -14.886 4.145 6.599 1.00 0.00 N ATOM 651 CA THR A 45 -14.497 3.229 7.665 1.00 0.00 C ATOM 652 C THR A 45 -12.992 3.275 7.909 1.00 0.00 C ATOM 653 O THR A 45 -12.229 3.722 7.054 1.00 0.00 O ATOM 654 CB THR A 45 -14.909 1.781 7.340 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.528 0.911 8.412 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.262 1.312 6.046 1.00 0.00 C ATOM 0 H THR A 45 -14.973 3.711 5.680 1.00 0.00 H new ATOM 0 HA THR A 45 -15.018 3.554 8.566 1.00 0.00 H new ATOM 0 HB THR A 45 -15.992 1.754 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.795 -0.007 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.568 0.287 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.577 1.958 5.227 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.177 1.354 6.145 1.00 0.00 H new ATOM 664 N GLY A 46 -12.573 2.810 9.082 1.00 0.00 N ATOM 665 CA GLY A 46 -11.161 2.808 9.416 1.00 0.00 C ATOM 666 C GLY A 46 -10.551 1.422 9.343 1.00 0.00 C ATOM 667 O GLY A 46 -9.398 1.263 8.942 1.00 0.00 O ATOM 0 H GLY A 46 -13.186 2.435 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.629 3.472 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.028 3.208 10.421 1.00 0.00 H new ATOM 671 N LEU A 47 -11.325 0.415 9.734 1.00 0.00 N ATOM 672 CA LEU A 47 -10.854 -0.966 9.713 1.00 0.00 C ATOM 673 C LEU A 47 -10.625 -1.441 8.282 1.00 0.00 C ATOM 674 O LEU A 47 -11.574 -1.722 7.551 1.00 0.00 O ATOM 675 CB LEU A 47 -11.862 -1.879 10.411 1.00 0.00 C ATOM 676 CG LEU A 47 -11.336 -3.247 10.851 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.906 -4.066 9.644 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.180 -3.085 11.827 1.00 0.00 C ATOM 0 H LEU A 47 -12.282 0.529 10.069 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.904 -1.009 10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.245 -1.360 11.289 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.706 -2.035 9.740 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.141 -3.779 11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.535 -5.036 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.759 -4.212 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.116 -3.539 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.819 -4.068 12.129 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.372 -2.533 11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.520 -2.537 12.706 1.00 0.00 H new ATOM 690 N VAL A 48 -9.358 -1.530 7.890 1.00 0.00 N ATOM 691 CA VAL A 48 -9.003 -1.975 6.547 1.00 0.00 C ATOM 692 C VAL A 48 -7.728 -2.811 6.564 1.00 0.00 C ATOM 693 O VAL A 48 -6.950 -2.760 7.517 1.00 0.00 O ATOM 694 CB VAL A 48 -8.808 -0.782 5.593 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.132 -0.075 5.346 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.775 0.184 6.152 1.00 0.00 C ATOM 0 H VAL A 48 -8.560 -1.300 8.483 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.831 -2.586 6.188 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.440 -1.158 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.975 0.765 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.840 -0.773 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.531 0.290 6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.650 1.021 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.111 0.556 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.822 -0.332 6.273 1.00 0.00 H new ATOM 706 N THR A 49 -7.519 -3.583 5.501 1.00 0.00 N ATOM 707 CA THR A 49 -6.338 -4.431 5.393 1.00 0.00 C ATOM 708 C THR A 49 -5.602 -4.185 4.082 1.00 0.00 C ATOM 709 O THR A 49 -6.188 -4.277 3.002 1.00 0.00 O ATOM 710 CB THR A 49 -6.708 -5.923 5.490 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.335 -6.192 6.749 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.473 -6.798 5.336 1.00 0.00 C ATOM 0 H THR A 49 -8.152 -3.638 4.703 1.00 0.00 H new ATOM 0 HA THR A 49 -5.685 -4.171 6.226 1.00 0.00 H new ATOM 0 HB THR A 49 -7.402 -6.155 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.569 -7.142 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.759 -7.847 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.015 -6.613 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.759 -6.562 6.125 1.00 0.00 H new ATOM 720 N LEU A 50 -4.315 -3.872 4.180 1.00 0.00 N ATOM 721 CA LEU A 50 -3.498 -3.614 2.999 1.00 0.00 C ATOM 722 C LEU A 50 -2.819 -4.891 2.517 1.00 0.00 C ATOM 723 O LEU A 50 -2.247 -5.640 3.308 1.00 0.00 O ATOM 724 CB LEU A 50 -2.445 -2.549 3.307 1.00 0.00 C ATOM 725 CG LEU A 50 -1.872 -1.802 2.102 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.824 -0.703 1.654 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.505 -1.223 2.433 1.00 0.00 C ATOM 0 H LEU A 50 -3.814 -3.791 5.065 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.153 -3.251 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.884 -1.819 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.621 -3.025 3.839 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.755 -2.511 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.400 -0.182 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.782 -1.143 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.973 0.004 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.113 -0.695 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.597 -0.529 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.176 -2.030 2.705 1.00 0.00 H new ATOM 739 N VAL A 51 -2.884 -5.134 1.211 1.00 0.00 N ATOM 740 CA VAL A 51 -2.274 -6.319 0.621 1.00 0.00 C ATOM 741 C VAL A 51 -1.606 -5.989 -0.709 1.00 0.00 C ATOM 742 O VAL A 51 -1.751 -4.882 -1.232 1.00 0.00 O ATOM 743 CB VAL A 51 -3.313 -7.434 0.399 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.032 -7.761 1.698 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.305 -7.029 -0.681 1.00 0.00 C ATOM 0 H VAL A 51 -3.354 -4.525 0.541 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.520 -6.671 1.325 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.792 -8.331 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.762 -8.551 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.308 -8.096 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.543 -6.871 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.032 -7.828 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.822 -6.119 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.773 -6.850 -1.615 1.00 0.00 H new ATOM 755 N LEU A 52 -0.874 -6.954 -1.252 1.00 0.00 N ATOM 756 CA LEU A 52 -0.182 -6.768 -2.523 1.00 0.00 C ATOM 757 C LEU A 52 -1.164 -6.818 -3.689 1.00 0.00 C ATOM 758 O LEU A 52 -2.043 -7.678 -3.737 1.00 0.00 O ATOM 759 CB LEU A 52 0.896 -7.838 -2.703 1.00 0.00 C ATOM 760 CG LEU A 52 2.025 -7.832 -1.672 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.147 -8.765 -2.104 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.553 -6.419 -1.467 1.00 0.00 C ATOM 0 H LEU A 52 -0.744 -7.874 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 52 0.290 -5.786 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.416 -8.816 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.335 -7.720 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 52 1.627 -8.191 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.942 -8.748 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.760 -9.780 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.544 -8.437 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.356 -6.434 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.935 -6.033 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.747 -5.777 -1.112 1.00 0.00 H new ATOM 774 N GLU A 53 -1.006 -5.891 -4.630 1.00 0.00 N ATOM 775 CA GLU A 53 -1.879 -5.832 -5.796 1.00 0.00 C ATOM 776 C GLU A 53 -1.440 -6.838 -6.856 1.00 0.00 C ATOM 777 O GLU A 53 -1.872 -6.772 -8.005 1.00 0.00 O ATOM 778 CB GLU A 53 -1.881 -4.420 -6.388 1.00 0.00 C ATOM 779 CG GLU A 53 -3.166 -4.069 -7.118 1.00 0.00 C ATOM 780 CD GLU A 53 -3.153 -4.512 -8.568 1.00 0.00 C ATOM 781 OE1 GLU A 53 -2.442 -3.877 -9.376 1.00 0.00 O ATOM 782 OE2 GLU A 53 -3.854 -5.493 -8.895 1.00 0.00 O ATOM 0 H GLU A 53 -0.283 -5.172 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.889 -6.086 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.719 -3.699 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.043 -4.323 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.009 -4.535 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.322 -2.991 -7.073 1.00 0.00 H new ATOM 789 N GLU A 54 -0.577 -7.768 -6.459 1.00 0.00 N ATOM 790 CA GLU A 54 -0.077 -8.787 -7.374 1.00 0.00 C ATOM 791 C GLU A 54 -0.698 -10.146 -7.066 1.00 0.00 C ATOM 792 O GLU A 54 -1.205 -10.826 -7.958 1.00 0.00 O ATOM 793 CB GLU A 54 1.447 -8.879 -7.288 1.00 0.00 C ATOM 794 CG GLU A 54 1.945 -9.552 -6.020 1.00 0.00 C ATOM 795 CD GLU A 54 3.458 -9.551 -5.915 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.095 -8.672 -6.533 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.005 -10.429 -5.216 1.00 0.00 O ATOM 0 H GLU A 54 -0.210 -7.837 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.359 -8.499 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.819 -9.430 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.867 -7.875 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.524 -9.043 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.583 -10.580 -5.992 1.00 0.00 H new ATOM 804 N ASP A 55 -0.655 -10.537 -5.797 1.00 0.00 N ATOM 805 CA ASP A 55 -1.212 -11.814 -5.369 1.00 0.00 C ATOM 806 C ASP A 55 -2.237 -11.615 -4.257 1.00 0.00 C ATOM 807 O ASP A 55 -3.049 -12.496 -3.981 1.00 0.00 O ATOM 808 CB ASP A 55 -0.099 -12.748 -4.893 1.00 0.00 C ATOM 809 CG ASP A 55 0.204 -12.582 -3.417 1.00 0.00 C ATOM 810 OD1 ASP A 55 -0.609 -13.045 -2.589 1.00 0.00 O ATOM 811 OD2 ASP A 55 1.253 -11.991 -3.090 1.00 0.00 O ATOM 0 H ASP A 55 -0.239 -9.986 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.714 -12.267 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.387 -13.781 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.805 -12.555 -5.471 1.00 0.00 H new ATOM 816 N GLY A 56 -2.191 -10.448 -3.620 1.00 0.00 N ATOM 817 CA GLY A 56 -3.119 -10.155 -2.543 1.00 0.00 C ATOM 818 C GLY A 56 -2.588 -10.579 -1.188 1.00 0.00 C ATOM 819 O GLY A 56 -3.328 -11.115 -0.362 1.00 0.00 O ATOM 0 H GLY A 56 -1.529 -9.702 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.328 -9.085 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.064 -10.663 -2.734 1.00 0.00 H new ATOM 823 N THR A 57 -1.301 -10.342 -0.957 1.00 0.00 N ATOM 824 CA THR A 57 -0.670 -10.706 0.305 1.00 0.00 C ATOM 825 C THR A 57 -0.713 -9.547 1.295 1.00 0.00 C ATOM 826 O THR A 57 -0.182 -8.469 1.027 1.00 0.00 O ATOM 827 CB THR A 57 0.794 -11.138 0.099 1.00 0.00 C ATOM 828 OG1 THR A 57 0.844 -12.364 -0.639 1.00 0.00 O ATOM 829 CG2 THR A 57 1.500 -11.314 1.435 1.00 0.00 C ATOM 0 H THR A 57 -0.674 -9.899 -1.629 1.00 0.00 H new ATOM 0 HA THR A 57 -1.234 -11.547 0.709 1.00 0.00 H new ATOM 0 HB THR A 57 1.305 -10.356 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.022 -12.522 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.532 -11.619 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.486 -10.371 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.988 -12.079 2.019 1.00 0.00 H new ATOM 837 N VAL A 58 -1.345 -9.776 2.441 1.00 0.00 N ATOM 838 CA VAL A 58 -1.454 -8.751 3.473 1.00 0.00 C ATOM 839 C VAL A 58 -0.089 -8.420 4.064 1.00 0.00 C ATOM 840 O VAL A 58 0.554 -9.268 4.683 1.00 0.00 O ATOM 841 CB VAL A 58 -2.399 -9.193 4.606 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.942 -10.519 5.194 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.477 -8.121 5.682 1.00 0.00 C ATOM 0 H VAL A 58 -1.790 -10.663 2.679 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.865 -7.862 2.994 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.397 -9.332 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.621 -10.816 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.942 -11.282 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.934 -10.411 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.149 -8.450 6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.484 -7.948 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.854 -7.196 5.247 1.00 0.00 H new ATOM 853 N VAL A 59 0.349 -7.179 3.871 1.00 0.00 N ATOM 854 CA VAL A 59 1.637 -6.733 4.386 1.00 0.00 C ATOM 855 C VAL A 59 1.491 -6.120 5.774 1.00 0.00 C ATOM 856 O VAL A 59 1.077 -4.969 5.915 1.00 0.00 O ATOM 857 CB VAL A 59 2.292 -5.703 3.448 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.738 -5.455 3.851 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.205 -6.168 2.002 1.00 0.00 C ATOM 0 H VAL A 59 -0.171 -6.465 3.361 1.00 0.00 H new ATOM 0 HA VAL A 59 2.275 -7.614 4.446 1.00 0.00 H new ATOM 0 HB VAL A 59 1.750 -4.762 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.184 -4.724 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.771 -5.074 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.297 -6.389 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.673 -5.428 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.721 -7.122 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.159 -6.288 1.721 1.00 0.00 H new ATOM 869 N ASP A 60 1.834 -6.895 6.797 1.00 0.00 N ATOM 870 CA ASP A 60 1.743 -6.428 8.176 1.00 0.00 C ATOM 871 C ASP A 60 3.128 -6.316 8.805 1.00 0.00 C ATOM 872 O ASP A 60 3.262 -6.014 9.991 1.00 0.00 O ATOM 873 CB ASP A 60 0.870 -7.374 9.001 1.00 0.00 C ATOM 874 CG ASP A 60 1.545 -8.706 9.261 1.00 0.00 C ATOM 875 OD1 ASP A 60 1.839 -9.424 8.282 1.00 0.00 O ATOM 876 OD2 ASP A 60 1.782 -9.030 10.444 1.00 0.00 O ATOM 0 H ASP A 60 2.178 -7.850 6.697 1.00 0.00 H new ATOM 0 HA ASP A 60 1.286 -5.438 8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.626 -6.902 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.072 -7.543 8.479 1.00 0.00 H new ATOM 881 N THR A 61 4.158 -6.561 8.001 1.00 0.00 N ATOM 882 CA THR A 61 5.534 -6.490 8.478 1.00 0.00 C ATOM 883 C THR A 61 6.284 -5.334 7.826 1.00 0.00 C ATOM 884 O THR A 61 6.148 -5.092 6.627 1.00 0.00 O ATOM 885 CB THR A 61 6.293 -7.801 8.201 1.00 0.00 C ATOM 886 OG1 THR A 61 5.780 -8.424 7.018 1.00 0.00 O ATOM 887 CG2 THR A 61 6.172 -8.757 9.377 1.00 0.00 C ATOM 0 H THR A 61 4.065 -6.810 7.016 1.00 0.00 H new ATOM 0 HA THR A 61 5.487 -6.327 9.555 1.00 0.00 H new ATOM 0 HB THR A 61 7.346 -7.560 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.269 -9.256 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.716 -9.675 9.157 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.591 -8.291 10.269 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.121 -8.991 9.549 1.00 0.00 H new ATOM 895 N GLU A 62 7.074 -4.623 8.624 1.00 0.00 N ATOM 896 CA GLU A 62 7.845 -3.491 8.123 1.00 0.00 C ATOM 897 C GLU A 62 8.975 -3.964 7.211 1.00 0.00 C ATOM 898 O GLU A 62 9.227 -3.372 6.162 1.00 0.00 O ATOM 899 CB GLU A 62 8.419 -2.681 9.287 1.00 0.00 C ATOM 900 CG GLU A 62 8.597 -1.205 8.971 1.00 0.00 C ATOM 901 CD GLU A 62 7.369 -0.383 9.312 1.00 0.00 C ATOM 902 OE1 GLU A 62 6.280 -0.697 8.789 1.00 0.00 O ATOM 903 OE2 GLU A 62 7.497 0.574 10.104 1.00 0.00 O ATOM 0 H GLU A 62 7.197 -4.810 9.619 1.00 0.00 H new ATOM 0 HA GLU A 62 7.175 -2.855 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.760 -2.783 10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.383 -3.102 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.453 -0.819 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.824 -1.089 7.911 1.00 0.00 H new ATOM 910 N GLU A 63 9.651 -5.032 7.622 1.00 0.00 N ATOM 911 CA GLU A 63 10.755 -5.582 6.844 1.00 0.00 C ATOM 912 C GLU A 63 10.291 -5.972 5.444 1.00 0.00 C ATOM 913 O GLU A 63 10.978 -5.712 4.455 1.00 0.00 O ATOM 914 CB GLU A 63 11.352 -6.799 7.553 1.00 0.00 C ATOM 915 CG GLU A 63 10.351 -7.918 7.787 1.00 0.00 C ATOM 916 CD GLU A 63 11.006 -9.191 8.287 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.710 -9.847 7.491 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.814 -9.532 9.473 1.00 0.00 O ATOM 0 H GLU A 63 9.454 -5.533 8.488 1.00 0.00 H new ATOM 0 HA GLU A 63 11.521 -4.812 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.182 -7.183 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.764 -6.485 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.606 -7.588 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.821 -8.127 6.858 1.00 0.00 H new ATOM 925 N PHE A 64 9.122 -6.599 5.367 1.00 0.00 N ATOM 926 CA PHE A 64 8.566 -7.028 4.089 1.00 0.00 C ATOM 927 C PHE A 64 8.232 -5.825 3.211 1.00 0.00 C ATOM 928 O PHE A 64 8.420 -5.860 1.994 1.00 0.00 O ATOM 929 CB PHE A 64 7.312 -7.875 4.313 1.00 0.00 C ATOM 930 CG PHE A 64 6.814 -8.549 3.066 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.689 -9.230 2.235 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.472 -8.501 2.725 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.233 -9.852 1.087 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.012 -9.122 1.580 1.00 0.00 C ATOM 935 CZ PHE A 64 5.893 -9.797 0.759 1.00 0.00 C ATOM 0 H PHE A 64 8.541 -6.821 6.175 1.00 0.00 H new ATOM 0 HA PHE A 64 9.316 -7.631 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.525 -8.634 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.522 -7.241 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.738 -9.276 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.778 -7.972 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.925 -10.380 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.963 -9.079 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.535 -10.281 -0.138 1.00 0.00 H new ATOM 945 N PHE A 65 7.735 -4.763 3.836 1.00 0.00 N ATOM 946 CA PHE A 65 7.373 -3.550 3.112 1.00 0.00 C ATOM 947 C PHE A 65 8.618 -2.789 2.669 1.00 0.00 C ATOM 948 O PHE A 65 8.614 -2.119 1.636 1.00 0.00 O ATOM 949 CB PHE A 65 6.497 -2.652 3.987 1.00 0.00 C ATOM 950 CG PHE A 65 6.577 -1.197 3.622 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.709 -0.456 3.919 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.521 -0.570 2.981 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.786 0.883 3.584 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.591 0.768 2.644 1.00 0.00 C ATOM 955 CZ PHE A 65 6.726 1.495 2.946 1.00 0.00 C ATOM 0 H PHE A 65 7.574 -4.718 4.842 1.00 0.00 H new ATOM 0 HA PHE A 65 6.812 -3.840 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.461 -2.981 3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.793 -2.774 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.541 -0.930 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.632 -1.134 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.674 1.449 3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.760 1.245 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.784 2.541 2.683 1.00 0.00 H new ATOM 965 N GLN A 66 9.683 -2.898 3.457 1.00 0.00 N ATOM 966 CA GLN A 66 10.936 -2.218 3.148 1.00 0.00 C ATOM 967 C GLN A 66 11.611 -2.850 1.935 1.00 0.00 C ATOM 968 O GLN A 66 12.380 -2.198 1.228 1.00 0.00 O ATOM 969 CB GLN A 66 11.878 -2.264 4.352 1.00 0.00 C ATOM 970 CG GLN A 66 11.414 -1.406 5.519 1.00 0.00 C ATOM 971 CD GLN A 66 11.783 0.055 5.351 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.632 0.403 4.530 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.144 0.921 6.130 1.00 0.00 N ATOM 0 H GLN A 66 9.703 -3.451 4.314 1.00 0.00 H new ATOM 0 HA GLN A 66 10.708 -1.178 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.976 -3.297 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.869 -1.934 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.333 -1.494 5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.855 -1.785 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.447 0.589 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.350 1.918 6.061 1.00 0.00 H new ATOM 982 N THR A 67 11.320 -4.126 1.699 1.00 0.00 N ATOM 983 CA THR A 67 11.900 -4.847 0.572 1.00 0.00 C ATOM 984 C THR A 67 11.171 -4.518 -0.725 1.00 0.00 C ATOM 985 O THR A 67 11.782 -4.446 -1.792 1.00 0.00 O ATOM 986 CB THR A 67 11.861 -6.369 0.800 1.00 0.00 C ATOM 987 OG1 THR A 67 10.504 -6.814 0.903 1.00 0.00 O ATOM 988 CG2 THR A 67 12.621 -6.747 2.063 1.00 0.00 C ATOM 0 H THR A 67 10.686 -4.681 2.273 1.00 0.00 H new ATOM 0 HA THR A 67 12.939 -4.526 0.492 1.00 0.00 H new ATOM 0 HB THR A 67 12.339 -6.854 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.932 -6.062 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.579 -7.827 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.661 -6.433 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.168 -6.252 2.922 1.00 0.00 H new ATOM 996 N LEU A 68 9.860 -4.321 -0.628 1.00 0.00 N ATOM 997 CA LEU A 68 9.046 -4.001 -1.795 1.00 0.00 C ATOM 998 C LEU A 68 9.692 -2.891 -2.620 1.00 0.00 C ATOM 999 O LEU A 68 10.078 -1.853 -2.087 1.00 0.00 O ATOM 1000 CB LEU A 68 7.642 -3.578 -1.361 1.00 0.00 C ATOM 1001 CG LEU A 68 6.837 -4.621 -0.585 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.454 -4.085 -0.248 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.731 -5.913 -1.381 1.00 0.00 C ATOM 0 H LEU A 68 9.339 -4.377 0.247 1.00 0.00 H new ATOM 0 HA LEU A 68 8.974 -4.895 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.728 -2.683 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.077 -3.300 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 68 7.359 -4.835 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.895 -4.841 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.551 -3.187 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.923 -3.842 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.155 -6.644 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.232 -5.716 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.730 -6.306 -1.571 1.00 0.00 H new ATOM 1015 N GLY A 69 9.801 -3.119 -3.926 1.00 0.00 N ATOM 1016 CA GLY A 69 10.398 -2.130 -4.803 1.00 0.00 C ATOM 1017 C GLY A 69 9.645 -0.813 -4.790 1.00 0.00 C ATOM 1018 O GLY A 69 8.764 -0.604 -3.957 1.00 0.00 O ATOM 0 H GLY A 69 9.487 -3.971 -4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.431 -1.957 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.424 -2.520 -5.821 1.00 0.00 H new ATOM 1022 N ASP A 70 9.994 0.074 -5.714 1.00 0.00 N ATOM 1023 CA ASP A 70 9.345 1.378 -5.805 1.00 0.00 C ATOM 1024 C ASP A 70 8.056 1.288 -6.615 1.00 0.00 C ATOM 1025 O ASP A 70 7.857 0.345 -7.380 1.00 0.00 O ATOM 1026 CB ASP A 70 10.290 2.399 -6.439 1.00 0.00 C ATOM 1027 CG ASP A 70 11.746 2.112 -6.128 1.00 0.00 C ATOM 1028 OD1 ASP A 70 12.343 1.259 -6.818 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.288 2.739 -5.194 1.00 0.00 O ATOM 0 H ASP A 70 10.722 -0.085 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 70 9.096 1.704 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.146 2.401 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.035 3.397 -6.082 1.00 0.00 H new ATOM 1034 N ASN A 71 7.182 2.274 -6.440 1.00 0.00 N ATOM 1035 CA ASN A 71 5.911 2.305 -7.154 1.00 0.00 C ATOM 1036 C ASN A 71 5.194 0.961 -7.048 1.00 0.00 C ATOM 1037 O ASN A 71 4.618 0.474 -8.021 1.00 0.00 O ATOM 1038 CB ASN A 71 6.136 2.661 -8.624 1.00 0.00 C ATOM 1039 CG ASN A 71 6.526 4.115 -8.814 1.00 0.00 C ATOM 1040 OD1 ASN A 71 7.661 4.502 -8.244 1.00 0.00 O flip ATOM 1041 ND2 ASN A 71 5.814 4.879 -9.464 1.00 0.00 N flip ATOM 0 H ASN A 71 7.331 3.062 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 71 5.284 3.069 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.917 2.021 -9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.226 2.455 -9.188 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.950 4.537 -9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.088 5.854 -9.583 1.00 0.00 H new ATOM 1048 N THR A 72 5.235 0.367 -5.860 1.00 0.00 N ATOM 1049 CA THR A 72 4.592 -0.920 -5.626 1.00 0.00 C ATOM 1050 C THR A 72 3.080 -0.765 -5.504 1.00 0.00 C ATOM 1051 O THR A 72 2.591 0.027 -4.696 1.00 0.00 O ATOM 1052 CB THR A 72 5.132 -1.595 -4.352 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.550 -1.767 -4.452 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.466 -2.945 -4.131 1.00 0.00 C ATOM 0 H THR A 72 5.707 0.757 -5.044 1.00 0.00 H new ATOM 0 HA THR A 72 4.822 -1.549 -6.486 1.00 0.00 H new ATOM 0 HB THR A 72 4.904 -0.952 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.001 -0.959 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.864 -3.403 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.390 -2.807 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.667 -3.594 -4.984 1.00 0.00 H new ATOM 1062 N HIS A 73 2.345 -1.524 -6.309 1.00 0.00 N ATOM 1063 CA HIS A 73 0.887 -1.471 -6.290 1.00 0.00 C ATOM 1064 C HIS A 73 0.332 -2.221 -5.082 1.00 0.00 C ATOM 1065 O HIS A 73 0.741 -3.347 -4.796 1.00 0.00 O ATOM 1066 CB HIS A 73 0.316 -2.064 -7.578 1.00 0.00 C ATOM 1067 CG HIS A 73 0.304 -1.103 -8.726 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -0.470 -0.017 -8.964 1.00 0.00 N flip ATOM 1069 CD2 HIS A 73 1.163 -1.202 -9.801 1.00 0.00 C flip ATOM 1070 CE1 HIS A 73 -0.069 0.514 -10.166 1.00 0.00 C flip ATOM 1071 NE2 HIS A 73 0.919 -0.220 -10.649 1.00 0.00 N flip ATOM 0 H HIS A 73 2.734 -2.183 -6.983 1.00 0.00 H new ATOM 0 HA HIS A 73 0.588 -0.425 -6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.901 -2.941 -7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.702 -2.406 -7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.917 -1.964 -9.929 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.492 1.388 -10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.410 -0.055 -11.528 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.599 -1.588 -4.376 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.207 -2.194 -3.197 1.00 0.00 C ATOM 1082 C PHE A 74 -2.728 -2.231 -3.328 1.00 0.00 C ATOM 1083 O PHE A 74 -3.308 -1.514 -4.144 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.811 -1.422 -1.937 1.00 0.00 C ATOM 1085 CG PHE A 74 0.638 -1.572 -1.573 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.119 -2.770 -1.069 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.520 -0.516 -1.737 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.452 -2.910 -0.733 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.854 -0.650 -1.402 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.321 -1.850 -0.900 1.00 0.00 C ATOM 0 H PHE A 74 -0.949 -0.656 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.841 -3.218 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.033 -0.365 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.424 -1.764 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.445 -3.603 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.161 0.423 -2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.814 -3.848 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.531 0.182 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.363 -1.958 -0.639 1.00 0.00 H new ATOM 1100 N MET A 75 -3.366 -3.069 -2.518 1.00 0.00 N ATOM 1101 CA MET A 75 -4.818 -3.199 -2.543 1.00 0.00 C ATOM 1102 C MET A 75 -5.399 -3.076 -1.138 1.00 0.00 C ATOM 1103 O MET A 75 -4.898 -3.689 -0.195 1.00 0.00 O ATOM 1104 CB MET A 75 -5.222 -4.539 -3.159 1.00 0.00 C ATOM 1105 CG MET A 75 -6.624 -4.985 -2.778 1.00 0.00 C ATOM 1106 SD MET A 75 -7.268 -6.264 -3.875 1.00 0.00 S ATOM 1107 CE MET A 75 -7.539 -5.320 -5.373 1.00 0.00 C ATOM 0 H MET A 75 -2.900 -3.668 -1.836 1.00 0.00 H new ATOM 0 HA MET A 75 -5.219 -2.391 -3.155 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.155 -4.465 -4.244 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.509 -5.303 -2.847 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.616 -5.360 -1.754 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.293 -4.124 -2.797 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.472 -5.637 -5.839 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.598 -4.259 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.713 -5.488 -6.064 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.455 -2.281 -1.007 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.103 -2.080 0.284 1.00 0.00 C ATOM 1119 C ILE A 76 -8.393 -2.889 0.383 1.00 0.00 C ATOM 1120 O ILE A 76 -9.158 -2.979 -0.577 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.424 -0.594 0.527 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.759 -0.356 2.001 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.574 -0.147 -0.362 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.540 -0.149 2.873 1.00 0.00 C ATOM 0 H ILE A 76 -6.880 -1.766 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.402 -2.422 1.046 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.544 -0.002 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.406 0.518 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.325 -1.208 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.788 0.906 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.300 -0.284 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.459 -0.742 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.854 0.014 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.903 -1.032 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.984 0.720 2.521 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.627 -3.475 1.552 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.825 -4.277 1.780 1.00 0.00 C ATOM 1138 C LEU A 77 -10.520 -3.862 3.073 1.00 0.00 C ATOM 1139 O LEU A 77 -9.875 -3.688 4.106 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.466 -5.763 1.834 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.600 -6.286 0.688 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.227 -7.742 0.923 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.321 -6.126 -0.642 1.00 0.00 C ATOM 0 H LEU A 77 -8.004 -3.410 2.357 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.510 -4.106 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.947 -5.957 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.391 -6.339 1.856 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.683 -5.698 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.611 -8.098 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.670 -7.829 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.133 -8.344 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.689 -6.504 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.255 -6.688 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.536 -5.072 -0.815 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.838 -3.707 3.007 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.620 -3.314 4.173 1.00 0.00 C ATOM 1157 C GLU A 78 -12.897 -4.516 5.072 1.00 0.00 C ATOM 1158 O GLU A 78 -12.537 -5.647 4.745 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.941 -2.675 3.738 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.790 -1.249 3.236 1.00 0.00 C ATOM 1161 CD GLU A 78 -15.050 -0.728 2.572 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -16.027 -0.445 3.296 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -15.058 -0.601 1.330 1.00 0.00 O ATOM 0 H GLU A 78 -12.387 -3.847 2.159 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.040 -2.584 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.387 -3.283 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.634 -2.684 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.529 -0.599 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.964 -1.203 2.526 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.538 -4.262 6.208 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.864 -5.320 7.156 1.00 0.00 C ATOM 1172 C LYS A 79 -14.855 -6.308 6.549 1.00 0.00 C ATOM 1173 O LYS A 79 -16.053 -6.248 6.821 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.445 -4.723 8.439 1.00 0.00 C ATOM 1175 CG LYS A 79 -14.854 -5.766 9.465 1.00 0.00 C ATOM 1176 CD LYS A 79 -13.659 -6.265 10.259 1.00 0.00 C ATOM 1177 CE LYS A 79 -14.057 -7.365 11.232 1.00 0.00 C ATOM 1178 NZ LYS A 79 -14.402 -8.630 10.527 1.00 0.00 N ATOM 0 H LYS A 79 -13.842 -3.331 6.494 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.945 -5.854 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.708 -4.056 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.313 -4.115 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.591 -5.339 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.333 -6.605 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.897 -6.640 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.213 -5.436 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.238 -7.548 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.910 -7.035 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.502 -9.398 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.298 -8.508 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.647 -8.869 9.853 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.346 -7.220 5.724 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.201 -8.208 5.093 1.00 0.00 C ATOM 1194 C GLY A 80 -14.989 -8.284 3.593 1.00 0.00 C ATOM 1195 O GLY A 80 -15.884 -8.693 2.855 1.00 0.00 O ATOM 0 H GLY A 80 -13.358 -7.291 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.008 -9.186 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.244 -7.966 5.298 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.803 -7.887 3.143 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.479 -7.909 1.722 1.00 0.00 C ATOM 1201 C GLN A 81 -12.167 -8.646 1.475 1.00 0.00 C ATOM 1202 O GLN A 81 -11.236 -8.564 2.276 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.388 -6.483 1.176 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.738 -5.799 1.035 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.627 -4.404 0.451 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -13.826 -4.263 -0.599 1.00 0.00 O flip ATOM 1207 NE2 GLN A 81 -15.253 -3.463 0.938 1.00 0.00 N flip ATOM 0 H GLN A 81 -13.051 -7.546 3.742 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.276 -8.439 1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.756 -5.889 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.898 -6.506 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.383 -6.405 0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.216 -5.742 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.858 -3.616 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.167 -2.530 0.534 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.100 -9.366 0.360 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.902 -10.117 0.005 1.00 0.00 C ATOM 1218 C LYS A 82 -10.243 -9.535 -1.241 1.00 0.00 C ATOM 1219 O LYS A 82 -10.832 -8.707 -1.936 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.250 -11.590 -0.229 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.303 -11.802 -1.301 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.628 -13.276 -1.479 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.637 -13.494 -2.597 1.00 0.00 C ATOM 1224 NZ LYS A 82 -15.028 -13.197 -2.154 1.00 0.00 N ATOM 0 H LYS A 82 -12.862 -9.445 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.198 -10.043 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.345 -12.129 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.603 -12.024 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.209 -11.258 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.950 -11.390 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.714 -13.827 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.024 -13.677 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.382 -12.858 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.578 -14.526 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.686 -13.357 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.280 -13.821 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.090 -12.205 -1.848 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.022 -9.974 -1.519 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.283 -9.495 -2.683 1.00 0.00 C ATOM 1240 C TRP A 83 -8.702 -10.251 -3.939 1.00 0.00 C ATOM 1241 O TRP A 83 -9.177 -11.384 -3.864 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.779 -9.650 -2.457 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.985 -9.658 -3.729 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.200 -8.649 -4.211 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.902 -10.724 -4.680 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.635 -9.024 -5.406 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.049 -10.293 -5.715 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.463 -12.001 -4.759 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.745 -11.095 -6.812 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.162 -12.795 -5.849 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.309 -12.341 -6.863 1.00 0.00 C ATOM 0 H TRP A 83 -8.521 -10.661 -0.955 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.514 -8.439 -2.822 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.428 -8.836 -1.823 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.594 -10.578 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.046 -7.697 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.009 -8.451 -5.971 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.120 -12.361 -3.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.088 -10.746 -7.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.592 -13.783 -5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.092 -12.987 -7.701 1.00 0.00 H new ATOM 1262 N MET A 84 -8.522 -9.616 -5.093 1.00 0.00 N ATOM 1263 CA MET A 84 -8.880 -10.230 -6.366 1.00 0.00 C ATOM 1264 C MET A 84 -7.846 -9.902 -7.439 1.00 0.00 C ATOM 1265 O MET A 84 -7.277 -8.811 -7.471 1.00 0.00 O ATOM 1266 CB MET A 84 -10.264 -9.756 -6.815 1.00 0.00 C ATOM 1267 CG MET A 84 -11.379 -10.145 -5.857 1.00 0.00 C ATOM 1268 SD MET A 84 -12.994 -10.203 -6.658 1.00 0.00 S ATOM 1269 CE MET A 84 -12.695 -11.425 -7.934 1.00 0.00 C ATOM 0 H MET A 84 -8.131 -8.677 -5.172 1.00 0.00 H new ATOM 0 HA MET A 84 -8.901 -11.311 -6.225 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.250 -8.671 -6.923 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.480 -10.172 -7.799 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.157 -11.120 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.411 -9.431 -5.034 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.558 -12.085 -8.015 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.532 -10.923 -8.888 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.813 -12.011 -7.677 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.596 -10.867 -8.337 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.630 -10.703 -9.426 1.00 0.00 C ATOM 1281 C PRO A 85 -7.107 -9.710 -10.480 1.00 0.00 C ATOM 1282 O PRO A 85 -8.042 -8.943 -10.246 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.527 -12.108 -10.024 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.824 -12.759 -9.687 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.239 -12.191 -8.358 1.00 0.00 C ATOM 0 HA PRO A 85 -5.680 -10.305 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.372 -12.069 -11.102 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.686 -12.658 -9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.574 -12.553 -10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.714 -13.842 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.323 -12.113 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.901 -12.815 -7.531 1.00 0.00 H new ATOM 1293 N SER A 86 -6.460 -9.729 -11.642 1.00 0.00 N ATOM 1294 CA SER A 86 -6.817 -8.827 -12.730 1.00 0.00 C ATOM 1295 C SER A 86 -8.198 -9.164 -13.284 1.00 0.00 C ATOM 1296 O SER A 86 -8.368 -10.151 -13.999 1.00 0.00 O ATOM 1297 CB SER A 86 -5.774 -8.904 -13.847 1.00 0.00 C ATOM 1298 OG SER A 86 -5.830 -10.154 -14.511 1.00 0.00 O ATOM 0 H SER A 86 -5.686 -10.359 -11.853 1.00 0.00 H new ATOM 0 HA SER A 86 -6.841 -7.812 -12.334 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.944 -8.100 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.778 -8.754 -13.430 1.00 0.00 H new ATOM 0 HG SER A 86 -6.745 -10.502 -14.476 1.00 0.00 H new ATOM 1304 N GLY A 87 -9.182 -8.335 -12.949 1.00 0.00 N ATOM 1305 CA GLY A 87 -10.536 -8.561 -13.421 1.00 0.00 C ATOM 1306 C GLY A 87 -10.669 -8.361 -14.917 1.00 0.00 C ATOM 1307 O GLY A 87 -9.878 -7.655 -15.544 1.00 0.00 O ATOM 0 H GLY A 87 -9.066 -7.511 -12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.842 -9.575 -13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.215 -7.883 -12.905 1.00 0.00 H new ATOM 1311 N PRO A 88 -11.690 -8.992 -15.514 1.00 0.00 N ATOM 1312 CA PRO A 88 -11.949 -8.896 -16.954 1.00 0.00 C ATOM 1313 C PRO A 88 -12.438 -7.511 -17.364 1.00 0.00 C ATOM 1314 O PRO A 88 -12.280 -7.101 -18.513 1.00 0.00 O ATOM 1315 CB PRO A 88 -13.042 -9.941 -17.189 1.00 0.00 C ATOM 1316 CG PRO A 88 -13.731 -10.071 -15.875 1.00 0.00 C ATOM 1317 CD PRO A 88 -12.673 -9.850 -14.830 1.00 0.00 C ATOM 0 HA PRO A 88 -11.047 -9.064 -17.542 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.734 -9.622 -17.969 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.618 -10.893 -17.509 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.532 -9.338 -15.780 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.185 -11.056 -15.768 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.080 -9.366 -13.942 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.228 -10.790 -14.504 1.00 0.00 H new ATOM 1325 N SER A 89 -13.032 -6.794 -16.415 1.00 0.00 N ATOM 1326 CA SER A 89 -13.548 -5.456 -16.679 1.00 0.00 C ATOM 1327 C SER A 89 -12.409 -4.448 -16.799 1.00 0.00 C ATOM 1328 O SER A 89 -11.278 -4.721 -16.392 1.00 0.00 O ATOM 1329 CB SER A 89 -14.507 -5.028 -15.566 1.00 0.00 C ATOM 1330 OG SER A 89 -15.133 -3.795 -15.879 1.00 0.00 O ATOM 0 H SER A 89 -13.168 -7.117 -15.457 1.00 0.00 H new ATOM 0 HA SER A 89 -14.088 -5.482 -17.625 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.265 -5.797 -15.419 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.961 -4.934 -14.627 1.00 0.00 H new ATOM 0 HG SER A 89 -15.742 -3.544 -15.153 1.00 0.00 H new ATOM 1336 N SER A 90 -12.713 -3.284 -17.361 1.00 0.00 N ATOM 1337 CA SER A 90 -11.715 -2.236 -17.540 1.00 0.00 C ATOM 1338 C SER A 90 -11.152 -1.787 -16.194 1.00 0.00 C ATOM 1339 O SER A 90 -11.898 -1.414 -15.290 1.00 0.00 O ATOM 1340 CB SER A 90 -12.325 -1.040 -18.274 1.00 0.00 C ATOM 1341 OG SER A 90 -11.317 -0.229 -18.853 1.00 0.00 O ATOM 0 H SER A 90 -13.644 -3.042 -17.701 1.00 0.00 H new ATOM 0 HA SER A 90 -10.900 -2.643 -18.139 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.003 -1.393 -19.051 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.919 -0.447 -17.579 1.00 0.00 H new ATOM 0 HG SER A 90 -11.732 0.527 -19.318 1.00 0.00 H new ATOM 1347 N GLY A 91 -9.829 -1.827 -16.071 1.00 0.00 N ATOM 1348 CA GLY A 91 -9.187 -1.423 -14.833 1.00 0.00 C ATOM 1349 C GLY A 91 -7.675 -1.428 -14.936 1.00 0.00 C ATOM 1350 O GLY A 91 -6.978 -1.570 -13.931 1.00 0.00 O ATOM 0 H GLY A 91 -9.190 -2.132 -16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.526 -0.424 -14.561 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.496 -2.094 -14.031 1.00 0.00 H new TER 1354 GLY A 91