USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 721 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 27 ASN :FLIP amide:sc= -0.395 F(o=0.21,f=0.82) USER MOD Set 1.2: A 62 SER OG : rot 12:sc= 1.21 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.06 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 38:sc= 0.553 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 11 CYS SG : rot -150:sc= -1.55 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0879 K(o=-0.088,f=-1.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 30:sc= 0.374 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -3.88 K(o=-3.9,f=-4.6!) USER MOD Single : A 33 SER OG : rot 57:sc= 0.665 USER MOD Single : A 34 ASN : amide:sc= 0.0753 K(o=0.075,f=-0.5) USER MOD Single : A 36 THR OG1 : rot -150:sc= -0.0121 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 41 TYR OH : rot 60:sc= -3.67! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 138:sc= -0.437 (180deg=-2.14) USER MOD Single : A 53 GLN : amide:sc= -0.0412 K(o=-0.041,f=-1.8!) USER MOD Single : A 55 CYS SG : rot -164:sc= -1.4 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.553 USER MOD Single : A 57 CYS SG : rot 8:sc= 1.09 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.056 USER MOD Single : A 76 CYS SG : rot 10:sc= -1.19 USER MOD Single : A 79 GLN : amide:sc= -0.665 K(o=-0.66,f=-1.8) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -84:sc= 0.558 USER MOD Single : A 95 CYS SG : rot 33:sc= -0.0576 USER MOD Single : A 97 THR OG1 : rot 160:sc= 1.53 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.163 -20.144 12.161 1.00 0.00 N ATOM 2 CA GLY A 1 -1.131 -18.738 11.800 1.00 0.00 C ATOM 3 C GLY A 1 -2.512 -18.115 11.771 1.00 0.00 C ATOM 4 O GLY A 1 -3.140 -17.932 12.814 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.195 -20.523 12.167 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.582 -20.250 13.107 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.736 -20.667 11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.507 -18.198 12.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.666 -18.628 10.820 1.00 0.00 H new ATOM 8 N SER A 2 -2.986 -17.786 10.573 1.00 0.00 N ATOM 9 CA SER A 2 -4.300 -17.174 10.413 1.00 0.00 C ATOM 10 C SER A 2 -5.344 -18.220 10.035 1.00 0.00 C ATOM 11 O SER A 2 -5.008 -19.356 9.701 1.00 0.00 O ATOM 12 CB SER A 2 -4.249 -16.079 9.346 1.00 0.00 C ATOM 13 OG SER A 2 -4.190 -16.637 8.045 1.00 0.00 O ATOM 0 H SER A 2 -2.480 -17.933 9.700 1.00 0.00 H new ATOM 0 HA SER A 2 -4.585 -16.729 11.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.129 -15.442 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.378 -15.445 9.513 1.00 0.00 H new ATOM 0 HG SER A 2 -4.160 -15.917 7.381 1.00 0.00 H new ATOM 19 N SER A 3 -6.613 -17.827 10.090 1.00 0.00 N ATOM 20 CA SER A 3 -7.707 -18.731 9.757 1.00 0.00 C ATOM 21 C SER A 3 -8.924 -17.954 9.264 1.00 0.00 C ATOM 22 O SER A 3 -9.085 -16.772 9.568 1.00 0.00 O ATOM 23 CB SER A 3 -8.088 -19.575 10.975 1.00 0.00 C ATOM 24 OG SER A 3 -8.593 -20.839 10.583 1.00 0.00 O ATOM 0 H SER A 3 -6.908 -16.889 10.362 1.00 0.00 H new ATOM 0 HA SER A 3 -7.369 -19.390 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.216 -19.711 11.614 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.837 -19.048 11.566 1.00 0.00 H new ATOM 0 HG SER A 3 -8.827 -21.359 11.380 1.00 0.00 H new ATOM 30 N GLY A 4 -9.778 -18.626 8.497 1.00 0.00 N ATOM 31 CA GLY A 4 -10.969 -17.983 7.973 1.00 0.00 C ATOM 32 C GLY A 4 -11.496 -18.667 6.728 1.00 0.00 C ATOM 33 O GLY A 4 -10.723 -19.094 5.871 1.00 0.00 O ATOM 0 H GLY A 4 -9.666 -19.604 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.744 -17.982 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.745 -16.941 7.744 1.00 0.00 H new ATOM 37 N SER A 5 -12.817 -18.775 6.629 1.00 0.00 N ATOM 38 CA SER A 5 -13.448 -19.418 5.483 1.00 0.00 C ATOM 39 C SER A 5 -14.116 -18.385 4.580 1.00 0.00 C ATOM 40 O SER A 5 -13.988 -18.439 3.356 1.00 0.00 O ATOM 41 CB SER A 5 -14.479 -20.446 5.951 1.00 0.00 C ATOM 42 OG SER A 5 -13.850 -21.553 6.573 1.00 0.00 O ATOM 0 H SER A 5 -13.471 -18.425 7.329 1.00 0.00 H new ATOM 0 HA SER A 5 -12.672 -19.927 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.172 -19.978 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.067 -20.789 5.100 1.00 0.00 H new ATOM 0 HG SER A 5 -14.531 -22.195 6.865 1.00 0.00 H new ATOM 48 N SER A 6 -14.830 -17.447 5.193 1.00 0.00 N ATOM 49 CA SER A 6 -15.522 -16.403 4.446 1.00 0.00 C ATOM 50 C SER A 6 -14.613 -15.197 4.228 1.00 0.00 C ATOM 51 O SER A 6 -14.290 -14.472 5.166 1.00 0.00 O ATOM 52 CB SER A 6 -16.790 -15.972 5.185 1.00 0.00 C ATOM 53 OG SER A 6 -16.487 -15.502 6.487 1.00 0.00 O ATOM 0 H SER A 6 -14.945 -17.388 6.205 1.00 0.00 H new ATOM 0 HA SER A 6 -15.797 -16.810 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.295 -15.188 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.480 -16.813 5.250 1.00 0.00 H new ATOM 0 HG SER A 6 -15.653 -14.988 6.463 1.00 0.00 H new ATOM 59 N GLY A 7 -14.204 -14.990 2.979 1.00 0.00 N ATOM 60 CA GLY A 7 -13.337 -13.872 2.658 1.00 0.00 C ATOM 61 C GLY A 7 -12.197 -14.268 1.741 1.00 0.00 C ATOM 62 O GLY A 7 -11.867 -15.445 1.597 1.00 0.00 O ATOM 0 H GLY A 7 -14.458 -15.577 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.924 -13.085 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.930 -13.455 3.579 1.00 0.00 H new ATOM 66 N PRO A 8 -11.573 -13.267 1.100 1.00 0.00 N ATOM 67 CA PRO A 8 -10.454 -13.493 0.180 1.00 0.00 C ATOM 68 C PRO A 8 -9.192 -13.947 0.904 1.00 0.00 C ATOM 69 O PRO A 8 -9.131 -13.935 2.134 1.00 0.00 O ATOM 70 CB PRO A 8 -10.239 -12.119 -0.459 1.00 0.00 C ATOM 71 CG PRO A 8 -10.766 -11.149 0.540 1.00 0.00 C ATOM 72 CD PRO A 8 -11.913 -11.840 1.225 1.00 0.00 C ATOM 0 HA PRO A 8 -10.669 -14.284 -0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.184 -11.940 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.769 -12.037 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.994 -10.870 1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.097 -10.231 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.000 -11.537 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.865 -11.610 0.746 1.00 0.00 H new ATOM 80 N ASP A 9 -8.186 -14.346 0.135 1.00 0.00 N ATOM 81 CA ASP A 9 -6.922 -14.803 0.702 1.00 0.00 C ATOM 82 C ASP A 9 -6.014 -13.621 1.028 1.00 0.00 C ATOM 83 O ASP A 9 -6.194 -12.525 0.500 1.00 0.00 O ATOM 84 CB ASP A 9 -6.217 -15.753 -0.266 1.00 0.00 C ATOM 85 CG ASP A 9 -5.812 -15.069 -1.557 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.712 -14.700 -2.341 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.595 -14.901 -1.783 1.00 0.00 O ATOM 0 H ASP A 9 -8.221 -14.362 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.139 -15.337 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.331 -16.167 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.876 -16.591 -0.493 1.00 0.00 H new ATOM 92 N GLN A 10 -5.039 -13.853 1.901 1.00 0.00 N ATOM 93 CA GLN A 10 -4.104 -12.807 2.298 1.00 0.00 C ATOM 94 C GLN A 10 -3.639 -12.005 1.087 1.00 0.00 C ATOM 95 O GLN A 10 -3.371 -12.567 0.024 1.00 0.00 O ATOM 96 CB GLN A 10 -2.899 -13.416 3.016 1.00 0.00 C ATOM 97 CG GLN A 10 -1.989 -12.383 3.660 1.00 0.00 C ATOM 98 CD GLN A 10 -0.621 -12.942 4.002 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.484 -14.121 4.331 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.400 -12.097 3.923 1.00 0.00 N ATOM 0 H GLN A 10 -4.876 -14.756 2.347 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.621 -12.132 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.253 -14.104 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.321 -14.004 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.872 -11.536 2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.460 -12.005 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.240 -11.128 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.344 -12.416 4.139 1.00 0.00 H new ATOM 109 N CYS A 11 -3.544 -10.691 1.255 1.00 0.00 N ATOM 110 CA CYS A 11 -3.111 -9.812 0.175 1.00 0.00 C ATOM 111 C CYS A 11 -1.592 -9.828 0.035 1.00 0.00 C ATOM 112 O CYS A 11 -0.872 -10.066 1.005 1.00 0.00 O ATOM 113 CB CYS A 11 -3.597 -8.384 0.426 1.00 0.00 C ATOM 114 SG CYS A 11 -5.227 -8.025 -0.269 1.00 0.00 S ATOM 0 H CYS A 11 -3.761 -10.211 2.128 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.547 -10.179 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.625 -8.205 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.873 -7.686 0.005 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.297 -6.765 -0.583 1.00 0.00 H new ATOM 120 N LYS A 12 -1.113 -9.576 -1.178 1.00 0.00 N ATOM 121 CA LYS A 12 0.321 -9.562 -1.447 1.00 0.00 C ATOM 122 C LYS A 12 0.904 -8.171 -1.218 1.00 0.00 C ATOM 123 O LYS A 12 0.221 -7.156 -1.353 1.00 0.00 O ATOM 124 CB LYS A 12 0.596 -10.012 -2.882 1.00 0.00 C ATOM 125 CG LYS A 12 0.382 -11.499 -3.106 1.00 0.00 C ATOM 126 CD LYS A 12 1.124 -11.991 -4.337 1.00 0.00 C ATOM 127 CE LYS A 12 0.339 -11.713 -5.610 1.00 0.00 C ATOM 128 NZ LYS A 12 1.071 -12.168 -6.824 1.00 0.00 N ATOM 0 H LYS A 12 -1.696 -9.379 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 12 0.801 -10.256 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.051 -9.455 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.624 -9.758 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.722 -12.052 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.683 -11.701 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.097 -11.504 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.308 -13.062 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.627 -12.216 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.138 -10.644 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.503 -11.961 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.981 -11.669 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.241 -13.192 -6.764 1.00 0.00 H new ATOM 142 N PRO A 13 2.197 -8.121 -0.864 1.00 0.00 N ATOM 143 CA PRO A 13 2.900 -6.861 -0.611 1.00 0.00 C ATOM 144 C PRO A 13 3.116 -6.051 -1.886 1.00 0.00 C ATOM 145 O PRO A 13 3.579 -6.565 -2.904 1.00 0.00 O ATOM 146 CB PRO A 13 4.242 -7.313 -0.031 1.00 0.00 C ATOM 147 CG PRO A 13 4.444 -8.687 -0.570 1.00 0.00 C ATOM 148 CD PRO A 13 3.071 -9.292 -0.684 1.00 0.00 C ATOM 0 HA PRO A 13 2.334 -6.205 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.049 -6.646 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.222 -7.314 1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.939 -8.657 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.077 -9.277 0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.003 -9.978 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.806 -9.858 0.209 1.00 0.00 H new ATOM 156 N PRO A 14 2.773 -4.756 -1.831 1.00 0.00 N ATOM 157 CA PRO A 14 2.922 -3.849 -2.972 1.00 0.00 C ATOM 158 C PRO A 14 4.383 -3.549 -3.288 1.00 0.00 C ATOM 159 O PRO A 14 5.251 -3.672 -2.425 1.00 0.00 O ATOM 160 CB PRO A 14 2.203 -2.578 -2.511 1.00 0.00 C ATOM 161 CG PRO A 14 2.272 -2.622 -1.023 1.00 0.00 C ATOM 162 CD PRO A 14 2.214 -4.077 -0.650 1.00 0.00 C ATOM 0 HA PRO A 14 2.516 -4.277 -3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.688 -1.684 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.170 -2.559 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.192 -2.162 -0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.444 -2.071 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.798 -4.285 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.193 -4.399 -0.447 1.00 0.00 H new ATOM 170 N GLN A 15 4.647 -3.156 -4.530 1.00 0.00 N ATOM 171 CA GLN A 15 6.004 -2.840 -4.959 1.00 0.00 C ATOM 172 C GLN A 15 6.241 -1.333 -4.948 1.00 0.00 C ATOM 173 O GLN A 15 5.608 -0.589 -5.696 1.00 0.00 O ATOM 174 CB GLN A 15 6.262 -3.398 -6.360 1.00 0.00 C ATOM 175 CG GLN A 15 7.687 -3.186 -6.845 1.00 0.00 C ATOM 176 CD GLN A 15 7.812 -3.297 -8.352 1.00 0.00 C ATOM 177 OE1 GLN A 15 6.873 -2.991 -9.089 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.974 -3.735 -8.819 1.00 0.00 N ATOM 0 H GLN A 15 3.939 -3.049 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 15 6.697 -3.304 -4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.041 -4.465 -6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.574 -2.927 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.033 -2.202 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.340 -3.921 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.725 -3.977 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.117 -3.829 -9.825 1.00 0.00 H new ATOM 187 N VAL A 16 7.158 -0.890 -4.092 1.00 0.00 N ATOM 188 CA VAL A 16 7.479 0.528 -3.985 1.00 0.00 C ATOM 189 C VAL A 16 8.570 0.922 -4.974 1.00 0.00 C ATOM 190 O VAL A 16 9.481 0.142 -5.253 1.00 0.00 O ATOM 191 CB VAL A 16 7.938 0.892 -2.560 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.737 1.116 -1.653 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.845 -0.193 -1.999 1.00 0.00 C ATOM 0 H VAL A 16 7.690 -1.492 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 16 6.567 1.077 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 16 8.507 1.821 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.081 1.372 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.130 1.931 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.139 0.206 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.160 0.081 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.304 -1.138 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.722 -0.300 -2.637 1.00 0.00 H new ATOM 203 N THR A 17 8.471 2.138 -5.503 1.00 0.00 N ATOM 204 CA THR A 17 9.448 2.636 -6.462 1.00 0.00 C ATOM 205 C THR A 17 9.739 4.114 -6.234 1.00 0.00 C ATOM 206 O THR A 17 8.919 4.975 -6.558 1.00 0.00 O ATOM 207 CB THR A 17 8.965 2.437 -7.911 1.00 0.00 C ATOM 208 OG1 THR A 17 8.641 1.060 -8.135 1.00 0.00 O ATOM 209 CG2 THR A 17 10.030 2.880 -8.903 1.00 0.00 C ATOM 0 H THR A 17 7.723 2.796 -5.283 1.00 0.00 H new ATOM 0 HA THR A 17 10.361 2.061 -6.309 1.00 0.00 H new ATOM 0 HB THR A 17 8.075 3.048 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.333 0.942 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.666 2.730 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.253 3.936 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.935 2.292 -8.752 1.00 0.00 H new ATOM 217 N CYS A 18 10.909 4.403 -5.677 1.00 0.00 N ATOM 218 CA CYS A 18 11.309 5.779 -5.405 1.00 0.00 C ATOM 219 C CYS A 18 11.623 6.520 -6.701 1.00 0.00 C ATOM 220 O CYS A 18 12.500 6.112 -7.463 1.00 0.00 O ATOM 221 CB CYS A 18 12.525 5.807 -4.479 1.00 0.00 C ATOM 222 SG CYS A 18 14.002 5.029 -5.177 1.00 0.00 S ATOM 0 H CYS A 18 11.598 3.702 -5.404 1.00 0.00 H new ATOM 0 HA CYS A 18 10.477 6.282 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.756 6.843 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.269 5.305 -3.546 1.00 0.00 H new ATOM 0 HG CYS A 18 13.991 5.159 -6.470 1.00 0.00 H new ATOM 228 N ARG A 19 10.900 7.608 -6.944 1.00 0.00 N ATOM 229 CA ARG A 19 11.100 8.404 -8.149 1.00 0.00 C ATOM 230 C ARG A 19 12.030 9.583 -7.874 1.00 0.00 C ATOM 231 O ARG A 19 12.774 10.018 -8.754 1.00 0.00 O ATOM 232 CB ARG A 19 9.759 8.912 -8.680 1.00 0.00 C ATOM 233 CG ARG A 19 8.825 7.803 -9.135 1.00 0.00 C ATOM 234 CD ARG A 19 9.149 7.348 -10.550 1.00 0.00 C ATOM 235 NE ARG A 19 10.278 6.422 -10.582 1.00 0.00 N ATOM 236 CZ ARG A 19 10.847 5.994 -11.704 1.00 0.00 C ATOM 237 NH1 ARG A 19 10.393 6.408 -12.879 1.00 0.00 N ATOM 238 NH2 ARG A 19 11.870 5.152 -11.651 1.00 0.00 N ATOM 0 H ARG A 19 10.171 7.958 -6.323 1.00 0.00 H new ATOM 0 HA ARG A 19 11.563 7.766 -8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.266 9.494 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.941 9.588 -9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.903 6.957 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.794 8.153 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.273 6.867 -10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.375 8.217 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 19 10.650 6.085 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.606 7.056 -12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.831 6.079 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.221 4.832 -10.748 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.306 4.824 -12.513 1.00 0.00 H new ATOM 252 N SER A 20 11.981 10.095 -6.649 1.00 0.00 N ATOM 253 CA SER A 20 12.816 11.226 -6.259 1.00 0.00 C ATOM 254 C SER A 20 12.958 11.298 -4.742 1.00 0.00 C ATOM 255 O SER A 20 12.217 10.647 -4.006 1.00 0.00 O ATOM 256 CB SER A 20 12.221 12.532 -6.790 1.00 0.00 C ATOM 257 OG SER A 20 13.225 13.516 -6.961 1.00 0.00 O ATOM 0 H SER A 20 11.372 9.745 -5.909 1.00 0.00 H new ATOM 0 HA SER A 20 13.806 11.083 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.722 12.348 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.463 12.898 -6.098 1.00 0.00 H new ATOM 0 HG SER A 20 12.820 14.340 -7.303 1.00 0.00 H new ATOM 263 N ALA A 21 13.916 12.096 -4.281 1.00 0.00 N ATOM 264 CA ALA A 21 14.156 12.255 -2.852 1.00 0.00 C ATOM 265 C ALA A 21 12.863 12.583 -2.112 1.00 0.00 C ATOM 266 O ALA A 21 12.665 12.163 -0.971 1.00 0.00 O ATOM 267 CB ALA A 21 15.194 13.341 -2.610 1.00 0.00 C ATOM 0 H ALA A 21 14.538 12.642 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 21 14.537 11.310 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.364 13.450 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.128 13.067 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.834 14.286 -3.018 1.00 0.00 H new ATOM 273 N THR A 22 11.985 13.335 -2.768 1.00 0.00 N ATOM 274 CA THR A 22 10.712 13.719 -2.172 1.00 0.00 C ATOM 275 C THR A 22 9.539 13.167 -2.974 1.00 0.00 C ATOM 276 O THR A 22 8.455 13.752 -2.989 1.00 0.00 O ATOM 277 CB THR A 22 10.577 15.251 -2.075 1.00 0.00 C ATOM 278 OG1 THR A 22 10.386 15.809 -3.379 1.00 0.00 O ATOM 279 CG2 THR A 22 11.812 15.864 -1.431 1.00 0.00 C ATOM 0 H THR A 22 12.133 13.690 -3.713 1.00 0.00 H new ATOM 0 HA THR A 22 10.693 13.295 -1.168 1.00 0.00 H new ATOM 0 HB THR A 22 9.712 15.479 -1.452 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.299 16.783 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.693 16.946 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.938 15.459 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.691 15.627 -2.031 1.00 0.00 H new ATOM 287 N CYS A 23 9.764 12.040 -3.640 1.00 0.00 N ATOM 288 CA CYS A 23 8.724 11.408 -4.445 1.00 0.00 C ATOM 289 C CYS A 23 8.727 9.896 -4.250 1.00 0.00 C ATOM 290 O CYS A 23 9.769 9.296 -3.987 1.00 0.00 O ATOM 291 CB CYS A 23 8.922 11.743 -5.925 1.00 0.00 C ATOM 292 SG CYS A 23 8.890 13.513 -6.292 1.00 0.00 S ATOM 0 H CYS A 23 10.656 11.545 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 23 7.760 11.796 -4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.876 11.332 -6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.143 11.248 -6.506 1.00 0.00 H new ATOM 0 HG CYS A 23 9.068 13.695 -7.567 1.00 0.00 H new ATOM 298 N ALA A 24 7.554 9.285 -4.376 1.00 0.00 N ATOM 299 CA ALA A 24 7.422 7.843 -4.212 1.00 0.00 C ATOM 300 C ALA A 24 6.165 7.325 -4.905 1.00 0.00 C ATOM 301 O ALA A 24 5.179 8.048 -5.042 1.00 0.00 O ATOM 302 CB ALA A 24 7.401 7.479 -2.735 1.00 0.00 C ATOM 0 H ALA A 24 6.681 9.767 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 24 8.285 7.368 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.302 6.399 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.329 7.807 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.557 7.970 -2.251 1.00 0.00 H new ATOM 308 N GLN A 25 6.209 6.070 -5.339 1.00 0.00 N ATOM 309 CA GLN A 25 5.073 5.457 -6.018 1.00 0.00 C ATOM 310 C GLN A 25 4.831 4.042 -5.503 1.00 0.00 C ATOM 311 O GLN A 25 5.772 3.283 -5.275 1.00 0.00 O ATOM 312 CB GLN A 25 5.311 5.428 -7.529 1.00 0.00 C ATOM 313 CG GLN A 25 4.096 4.985 -8.328 1.00 0.00 C ATOM 314 CD GLN A 25 3.189 6.142 -8.701 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.658 7.225 -9.052 1.00 0.00 O ATOM 316 NE2 GLN A 25 1.882 5.917 -8.628 1.00 0.00 N ATOM 0 H GLN A 25 7.018 5.458 -5.233 1.00 0.00 H new ATOM 0 HA GLN A 25 4.188 6.058 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.611 6.422 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.142 4.756 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.427 4.481 -9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.530 4.257 -7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.537 5.004 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.223 6.657 -8.868 1.00 0.00 H new ATOM 325 N VAL A 26 3.560 3.693 -5.322 1.00 0.00 N ATOM 326 CA VAL A 26 3.194 2.369 -4.835 1.00 0.00 C ATOM 327 C VAL A 26 2.402 1.598 -5.885 1.00 0.00 C ATOM 328 O VAL A 26 1.735 2.188 -6.732 1.00 0.00 O ATOM 329 CB VAL A 26 2.360 2.458 -3.542 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.121 1.071 -2.965 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.048 3.357 -2.527 1.00 0.00 C ATOM 0 H VAL A 26 2.768 4.309 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 26 4.123 1.840 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 26 1.391 2.896 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.531 1.153 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.583 0.462 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.078 0.602 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.446 3.409 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.030 2.950 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.162 4.357 -2.945 1.00 0.00 H new ATOM 341 N ASN A 27 2.481 0.271 -5.822 1.00 0.00 N ATOM 342 CA ASN A 27 1.772 -0.583 -6.767 1.00 0.00 C ATOM 343 C ASN A 27 1.375 -1.903 -6.115 1.00 0.00 C ATOM 344 O ASN A 27 2.221 -2.626 -5.589 1.00 0.00 O ATOM 345 CB ASN A 27 2.642 -0.848 -7.998 1.00 0.00 C ATOM 346 CG ASN A 27 3.367 0.395 -8.472 1.00 0.00 C ATOM 347 OD1 ASN A 27 2.795 1.073 -9.461 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 4.430 0.743 -7.957 1.00 0.00 N flip ATOM 0 H ASN A 27 3.029 -0.235 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 27 0.864 -0.065 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.371 -1.623 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.018 -1.231 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.834 0.192 -7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.906 1.582 -8.288 1.00 0.00 H new ATOM 355 N TRP A 28 0.084 -2.212 -6.155 1.00 0.00 N ATOM 356 CA TRP A 28 -0.425 -3.446 -5.569 1.00 0.00 C ATOM 357 C TRP A 28 -1.271 -4.219 -6.575 1.00 0.00 C ATOM 358 O TRP A 28 -1.425 -3.797 -7.721 1.00 0.00 O ATOM 359 CB TRP A 28 -1.252 -3.138 -4.319 1.00 0.00 C ATOM 360 CG TRP A 28 -2.524 -2.404 -4.615 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.689 -2.940 -5.088 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.761 -1.001 -4.460 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.634 -1.954 -5.235 1.00 0.00 N ATOM 364 CE2 TRP A 28 -4.090 -0.756 -4.857 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.980 0.072 -4.023 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.652 0.519 -4.829 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -2.538 1.336 -3.997 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.864 1.550 -4.397 1.00 0.00 C ATOM 0 H TRP A 28 -0.629 -1.625 -6.587 1.00 0.00 H new ATOM 0 HA TRP A 28 0.428 -4.064 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.490 -4.072 -3.810 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.650 -2.544 -3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.844 -3.985 -5.313 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.587 -2.092 -5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.958 -0.084 -3.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.673 0.687 -5.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.942 2.173 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.272 2.549 -4.363 1.00 0.00 H new ATOM 379 N GLU A 29 -1.814 -5.350 -6.140 1.00 0.00 N ATOM 380 CA GLU A 29 -2.644 -6.181 -7.005 1.00 0.00 C ATOM 381 C GLU A 29 -3.601 -7.040 -6.181 1.00 0.00 C ATOM 382 O GLU A 29 -3.435 -7.186 -4.970 1.00 0.00 O ATOM 383 CB GLU A 29 -1.767 -7.075 -7.884 1.00 0.00 C ATOM 384 CG GLU A 29 -1.241 -6.378 -9.127 1.00 0.00 C ATOM 385 CD GLU A 29 -0.550 -7.332 -10.082 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.638 -7.643 -9.854 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.196 -7.766 -11.059 1.00 0.00 O ATOM 0 H GLU A 29 -1.695 -5.713 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.233 -5.522 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.923 -7.434 -7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.342 -7.951 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.068 -5.889 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.542 -5.595 -8.832 1.00 0.00 H new ATOM 394 N VAL A 30 -4.602 -7.604 -6.848 1.00 0.00 N ATOM 395 CA VAL A 30 -5.585 -8.449 -6.179 1.00 0.00 C ATOM 396 C VAL A 30 -5.071 -9.875 -6.025 1.00 0.00 C ATOM 397 O VAL A 30 -4.484 -10.452 -6.940 1.00 0.00 O ATOM 398 CB VAL A 30 -6.918 -8.476 -6.951 1.00 0.00 C ATOM 399 CG1 VAL A 30 -7.983 -9.212 -6.151 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.372 -7.062 -7.282 1.00 0.00 C ATOM 0 H VAL A 30 -4.754 -7.492 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.753 -8.019 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.764 -9.012 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.918 -9.221 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.659 -10.237 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.137 -8.706 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.315 -7.101 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.509 -6.499 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.617 -6.572 -7.897 1.00 0.00 H new ATOM 410 N PRO A 31 -5.294 -10.460 -4.839 1.00 0.00 N ATOM 411 CA PRO A 31 -4.861 -11.827 -4.537 1.00 0.00 C ATOM 412 C PRO A 31 -5.657 -12.872 -5.312 1.00 0.00 C ATOM 413 O PRO A 31 -6.351 -12.548 -6.276 1.00 0.00 O ATOM 414 CB PRO A 31 -5.127 -11.959 -3.034 1.00 0.00 C ATOM 415 CG PRO A 31 -6.210 -10.976 -2.753 1.00 0.00 C ATOM 416 CD PRO A 31 -5.986 -9.830 -3.701 1.00 0.00 C ATOM 0 HA PRO A 31 -3.821 -11.996 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.435 -12.972 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.232 -11.739 -2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.192 -11.423 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.172 -10.639 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.926 -9.371 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.381 -9.045 -3.247 1.00 0.00 H new ATOM 424 N LEU A 32 -5.552 -14.125 -4.884 1.00 0.00 N ATOM 425 CA LEU A 32 -6.263 -15.219 -5.538 1.00 0.00 C ATOM 426 C LEU A 32 -7.538 -15.570 -4.778 1.00 0.00 C ATOM 427 O LEU A 32 -7.764 -16.728 -4.427 1.00 0.00 O ATOM 428 CB LEU A 32 -5.362 -16.449 -5.641 1.00 0.00 C ATOM 429 CG LEU A 32 -5.864 -17.575 -6.545 1.00 0.00 C ATOM 430 CD1 LEU A 32 -5.705 -17.196 -8.009 1.00 0.00 C ATOM 431 CD2 LEU A 32 -5.125 -18.871 -6.245 1.00 0.00 C ATOM 0 H LEU A 32 -4.982 -14.409 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.538 -14.893 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.384 -16.129 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.216 -16.852 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.924 -17.730 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.068 -18.010 -8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.281 -16.294 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.653 -17.012 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.496 -19.661 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.058 -18.729 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.291 -19.152 -5.205 1.00 0.00 H new ATOM 443 N SER A 33 -8.370 -14.563 -4.529 1.00 0.00 N ATOM 444 CA SER A 33 -9.622 -14.766 -3.810 1.00 0.00 C ATOM 445 C SER A 33 -10.678 -15.384 -4.721 1.00 0.00 C ATOM 446 O SER A 33 -11.563 -14.692 -5.222 1.00 0.00 O ATOM 447 CB SER A 33 -10.132 -13.437 -3.247 1.00 0.00 C ATOM 448 OG SER A 33 -10.342 -12.493 -4.282 1.00 0.00 O ATOM 0 H SER A 33 -8.199 -13.599 -4.815 1.00 0.00 H new ATOM 0 HA SER A 33 -9.432 -15.453 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.064 -13.601 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.412 -13.042 -2.530 1.00 0.00 H new ATOM 0 HG SER A 33 -10.969 -12.862 -4.939 1.00 0.00 H new ATOM 454 N ASN A 34 -10.577 -16.693 -4.931 1.00 0.00 N ATOM 455 CA ASN A 34 -11.522 -17.406 -5.782 1.00 0.00 C ATOM 456 C ASN A 34 -12.940 -17.302 -5.227 1.00 0.00 C ATOM 457 O ASN A 34 -13.383 -18.161 -4.465 1.00 0.00 O ATOM 458 CB ASN A 34 -11.118 -18.876 -5.909 1.00 0.00 C ATOM 459 CG ASN A 34 -10.417 -19.392 -4.666 1.00 0.00 C ATOM 460 OD1 ASN A 34 -9.351 -20.002 -4.750 1.00 0.00 O ATOM 461 ND2 ASN A 34 -11.015 -19.149 -3.505 1.00 0.00 N ATOM 0 H ASN A 34 -9.850 -17.281 -4.523 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.503 -16.945 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.006 -19.479 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.461 -18.996 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.591 -19.472 -2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.898 -18.639 -3.483 1.00 0.00 H new ATOM 468 N GLY A 35 -13.646 -16.245 -5.615 1.00 0.00 N ATOM 469 CA GLY A 35 -15.005 -16.048 -5.147 1.00 0.00 C ATOM 470 C GLY A 35 -15.499 -14.635 -5.378 1.00 0.00 C ATOM 471 O GLY A 35 -15.718 -14.222 -6.517 1.00 0.00 O ATOM 0 H GLY A 35 -13.301 -15.521 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.666 -16.749 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.056 -16.278 -4.083 1.00 0.00 H new ATOM 475 N THR A 36 -15.677 -13.887 -4.293 1.00 0.00 N ATOM 476 CA THR A 36 -16.152 -12.512 -4.381 1.00 0.00 C ATOM 477 C THR A 36 -15.049 -11.581 -4.875 1.00 0.00 C ATOM 478 O THR A 36 -13.864 -11.855 -4.690 1.00 0.00 O ATOM 479 CB THR A 36 -16.663 -12.005 -3.019 1.00 0.00 C ATOM 480 OG1 THR A 36 -17.134 -10.658 -3.142 1.00 0.00 O ATOM 481 CG2 THR A 36 -15.563 -12.069 -1.970 1.00 0.00 C ATOM 0 H THR A 36 -15.499 -14.211 -3.342 1.00 0.00 H new ATOM 0 HA THR A 36 -16.976 -12.507 -5.094 1.00 0.00 H new ATOM 0 HB THR A 36 -17.484 -12.649 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 36 -17.007 -10.188 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.948 -11.706 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.228 -13.100 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.725 -11.447 -2.284 1.00 0.00 H new ATOM 489 N ASP A 37 -15.449 -10.481 -5.502 1.00 0.00 N ATOM 490 CA ASP A 37 -14.495 -9.508 -6.022 1.00 0.00 C ATOM 491 C ASP A 37 -14.290 -8.366 -5.032 1.00 0.00 C ATOM 492 O ASP A 37 -15.245 -7.867 -4.435 1.00 0.00 O ATOM 493 CB ASP A 37 -14.977 -8.955 -7.364 1.00 0.00 C ATOM 494 CG ASP A 37 -14.872 -9.974 -8.481 1.00 0.00 C ATOM 495 OD1 ASP A 37 -13.739 -10.397 -8.795 1.00 0.00 O ATOM 496 OD2 ASP A 37 -15.923 -10.350 -9.043 1.00 0.00 O ATOM 0 H ASP A 37 -16.427 -10.240 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.541 -10.014 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.013 -8.630 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.389 -8.074 -7.623 1.00 0.00 H new ATOM 501 N VAL A 38 -13.037 -7.956 -4.859 1.00 0.00 N ATOM 502 CA VAL A 38 -12.706 -6.873 -3.942 1.00 0.00 C ATOM 503 C VAL A 38 -13.503 -5.615 -4.265 1.00 0.00 C ATOM 504 O VAL A 38 -13.539 -5.166 -5.412 1.00 0.00 O ATOM 505 CB VAL A 38 -11.202 -6.539 -3.985 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.898 -5.331 -3.114 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.378 -7.741 -3.551 1.00 0.00 C ATOM 0 H VAL A 38 -12.234 -8.359 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.966 -7.217 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.931 -6.293 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.831 -5.111 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.461 -4.471 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.183 -5.544 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.318 -7.488 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.650 -8.020 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.574 -8.578 -4.221 1.00 0.00 H new ATOM 517 N THR A 39 -14.145 -5.049 -3.247 1.00 0.00 N ATOM 518 CA THR A 39 -14.943 -3.843 -3.423 1.00 0.00 C ATOM 519 C THR A 39 -14.070 -2.594 -3.382 1.00 0.00 C ATOM 520 O THR A 39 -14.236 -1.683 -4.193 1.00 0.00 O ATOM 521 CB THR A 39 -16.033 -3.728 -2.341 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.510 -4.140 -1.073 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.242 -4.580 -2.697 1.00 0.00 C ATOM 0 H THR A 39 -14.127 -5.407 -2.292 1.00 0.00 H new ATOM 0 HA THR A 39 -15.418 -3.919 -4.401 1.00 0.00 H new ATOM 0 HB THR A 39 -16.347 -2.686 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.209 -4.062 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.998 -4.482 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.656 -4.245 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.940 -5.624 -2.780 1.00 0.00 H new ATOM 531 N GLU A 40 -13.138 -2.559 -2.434 1.00 0.00 N ATOM 532 CA GLU A 40 -12.238 -1.421 -2.289 1.00 0.00 C ATOM 533 C GLU A 40 -10.935 -1.840 -1.617 1.00 0.00 C ATOM 534 O GLU A 40 -10.863 -2.888 -0.974 1.00 0.00 O ATOM 535 CB GLU A 40 -12.910 -0.312 -1.477 1.00 0.00 C ATOM 536 CG GLU A 40 -12.762 -0.483 0.026 1.00 0.00 C ATOM 537 CD GLU A 40 -13.886 0.175 0.802 1.00 0.00 C ATOM 538 OE1 GLU A 40 -15.039 -0.291 0.688 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.612 1.156 1.525 1.00 0.00 O ATOM 0 H GLU A 40 -12.987 -3.305 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.007 -1.044 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.485 0.649 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.970 -0.281 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.734 -1.546 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.809 -0.059 0.344 1.00 0.00 H new ATOM 546 N TYR A 41 -9.905 -1.015 -1.771 1.00 0.00 N ATOM 547 CA TYR A 41 -8.602 -1.301 -1.182 1.00 0.00 C ATOM 548 C TYR A 41 -8.145 -0.154 -0.287 1.00 0.00 C ATOM 549 O TYR A 41 -7.966 0.974 -0.747 1.00 0.00 O ATOM 550 CB TYR A 41 -7.566 -1.549 -2.280 1.00 0.00 C ATOM 551 CG TYR A 41 -8.003 -2.572 -3.305 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.086 -2.328 -4.140 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.335 -3.782 -3.437 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.489 -3.259 -5.078 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.729 -4.719 -4.372 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.808 -4.453 -5.190 1.00 0.00 C ATOM 557 OH TYR A 41 -9.206 -5.384 -6.122 1.00 0.00 O ATOM 0 H TYR A 41 -9.947 -0.143 -2.299 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.697 -2.199 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.353 -0.608 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.635 -1.882 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.622 -1.394 -4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.492 -3.994 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.333 -3.053 -5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.196 -5.654 -4.462 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.151 -4.993 -7.019 1.00 0.00 H new ATOM 567 N ARG A 42 -7.959 -0.450 0.995 1.00 0.00 N ATOM 568 CA ARG A 42 -7.523 0.556 1.957 1.00 0.00 C ATOM 569 C ARG A 42 -6.005 0.548 2.101 1.00 0.00 C ATOM 570 O ARG A 42 -5.437 -0.321 2.766 1.00 0.00 O ATOM 571 CB ARG A 42 -8.177 0.308 3.317 1.00 0.00 C ATOM 572 CG ARG A 42 -9.608 0.814 3.406 1.00 0.00 C ATOM 573 CD ARG A 42 -10.269 0.389 4.708 1.00 0.00 C ATOM 574 NE ARG A 42 -11.688 0.733 4.739 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.485 0.471 5.770 1.00 0.00 C ATOM 576 NH1 ARG A 42 -12.005 -0.134 6.847 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.765 0.816 5.723 1.00 0.00 N ATOM 0 H ARG A 42 -8.103 -1.378 1.392 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.830 1.534 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.165 -0.762 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.581 0.791 4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.616 1.901 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.183 0.432 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.154 -0.687 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.762 0.868 5.545 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.089 1.200 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.021 -0.400 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.619 -0.333 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.137 1.282 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.377 0.615 6.514 1.00 0.00 H new ATOM 591 N LEU A 43 -5.351 1.520 1.475 1.00 0.00 N ATOM 592 CA LEU A 43 -3.896 1.625 1.533 1.00 0.00 C ATOM 593 C LEU A 43 -3.466 2.636 2.592 1.00 0.00 C ATOM 594 O LEU A 43 -3.901 3.787 2.578 1.00 0.00 O ATOM 595 CB LEU A 43 -3.340 2.031 0.168 1.00 0.00 C ATOM 596 CG LEU A 43 -1.871 2.456 0.142 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.962 1.237 0.174 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.584 3.305 -1.089 1.00 0.00 C ATOM 0 H LEU A 43 -5.804 2.247 0.921 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.496 0.648 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.468 1.193 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.943 2.853 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.670 3.057 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.079 1.559 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.149 0.667 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.164 0.610 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.534 3.599 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.802 2.728 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.210 4.197 -1.070 1.00 0.00 H new ATOM 610 N GLU A 44 -2.607 2.198 3.507 1.00 0.00 N ATOM 611 CA GLU A 44 -2.117 3.065 4.571 1.00 0.00 C ATOM 612 C GLU A 44 -0.657 3.443 4.337 1.00 0.00 C ATOM 613 O GLU A 44 0.117 2.660 3.787 1.00 0.00 O ATOM 614 CB GLU A 44 -2.264 2.376 5.930 1.00 0.00 C ATOM 615 CG GLU A 44 -3.709 2.150 6.344 1.00 0.00 C ATOM 616 CD GLU A 44 -4.301 0.894 5.735 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.726 0.383 4.752 1.00 0.00 O ATOM 618 OE2 GLU A 44 -5.340 0.422 6.243 1.00 0.00 O ATOM 0 H GLU A 44 -2.236 1.248 3.532 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.716 3.976 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.749 1.416 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.767 2.979 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.766 2.084 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.307 3.011 6.046 1.00 0.00 H new ATOM 625 N TRP A 45 -0.290 4.648 4.757 1.00 0.00 N ATOM 626 CA TRP A 45 1.076 5.131 4.592 1.00 0.00 C ATOM 627 C TRP A 45 1.470 6.053 5.740 1.00 0.00 C ATOM 628 O TRP A 45 1.025 7.197 5.811 1.00 0.00 O ATOM 629 CB TRP A 45 1.222 5.866 3.258 1.00 0.00 C ATOM 630 CG TRP A 45 2.607 6.383 3.013 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.266 7.336 3.735 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.502 5.976 1.973 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.516 7.547 3.206 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.686 6.724 2.125 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.419 5.051 0.928 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.775 6.574 1.271 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.501 4.904 0.081 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.667 5.662 0.257 1.00 0.00 C ATOM 0 H TRP A 45 -0.919 5.308 5.214 1.00 0.00 H new ATOM 0 HA TRP A 45 1.743 4.269 4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.945 5.192 2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.521 6.700 3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.863 7.849 4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.206 8.209 3.561 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.525 4.462 0.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.674 7.157 1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.447 4.193 -0.730 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.496 5.523 -0.421 1.00 0.00 H new ATOM 649 N GLY A 46 2.308 5.547 6.639 1.00 0.00 N ATOM 650 CA GLY A 46 2.748 6.339 7.773 1.00 0.00 C ATOM 651 C GLY A 46 4.258 6.379 7.901 1.00 0.00 C ATOM 652 O GLY A 46 4.909 5.339 7.977 1.00 0.00 O ATOM 0 H GLY A 46 2.690 4.602 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.368 7.356 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.320 5.928 8.687 1.00 0.00 H new ATOM 656 N GLY A 47 4.817 7.586 7.925 1.00 0.00 N ATOM 657 CA GLY A 47 6.255 7.734 8.044 1.00 0.00 C ATOM 658 C GLY A 47 6.881 6.655 8.905 1.00 0.00 C ATOM 659 O GLY A 47 7.908 6.080 8.544 1.00 0.00 O ATOM 0 H GLY A 47 4.299 8.463 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.703 7.707 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.482 8.711 8.470 1.00 0.00 H new ATOM 663 N VAL A 48 6.262 6.379 10.048 1.00 0.00 N ATOM 664 CA VAL A 48 6.764 5.361 10.963 1.00 0.00 C ATOM 665 C VAL A 48 5.769 4.216 11.113 1.00 0.00 C ATOM 666 O VAL A 48 4.588 4.438 11.378 1.00 0.00 O ATOM 667 CB VAL A 48 7.060 5.954 12.354 1.00 0.00 C ATOM 668 CG1 VAL A 48 7.143 4.851 13.399 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.344 6.769 12.324 1.00 0.00 C ATOM 0 H VAL A 48 5.412 6.846 10.363 1.00 0.00 H new ATOM 0 HA VAL A 48 7.690 4.979 10.533 1.00 0.00 H new ATOM 0 HB VAL A 48 6.241 6.619 12.627 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.353 5.289 14.375 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.195 4.315 13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.941 4.158 13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.537 7.180 13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.175 6.128 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.241 7.583 11.607 1.00 0.00 H new ATOM 679 N GLU A 49 6.255 2.990 10.941 1.00 0.00 N ATOM 680 CA GLU A 49 5.407 1.810 11.056 1.00 0.00 C ATOM 681 C GLU A 49 4.507 1.904 12.285 1.00 0.00 C ATOM 682 O GLU A 49 3.379 1.414 12.281 1.00 0.00 O ATOM 683 CB GLU A 49 6.263 0.545 11.133 1.00 0.00 C ATOM 684 CG GLU A 49 7.085 0.443 12.407 1.00 0.00 C ATOM 685 CD GLU A 49 7.446 -0.988 12.755 1.00 0.00 C ATOM 686 OE1 GLU A 49 8.091 -1.658 11.921 1.00 0.00 O ATOM 687 OE2 GLU A 49 7.085 -1.438 13.862 1.00 0.00 O ATOM 0 H GLU A 49 7.231 2.789 10.722 1.00 0.00 H new ATOM 0 HA GLU A 49 4.776 1.760 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.614 -0.328 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.934 0.518 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.998 1.027 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.526 0.884 13.232 1.00 0.00 H new ATOM 694 N GLY A 50 5.017 2.538 13.337 1.00 0.00 N ATOM 695 CA GLY A 50 4.248 2.685 14.559 1.00 0.00 C ATOM 696 C GLY A 50 2.970 3.472 14.349 1.00 0.00 C ATOM 697 O GLY A 50 1.946 3.185 14.969 1.00 0.00 O ATOM 0 H GLY A 50 5.949 2.952 13.365 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.003 1.698 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.859 3.184 15.311 1.00 0.00 H new ATOM 701 N SER A 51 3.030 4.470 13.473 1.00 0.00 N ATOM 702 CA SER A 51 1.870 5.306 13.186 1.00 0.00 C ATOM 703 C SER A 51 1.485 5.216 11.713 1.00 0.00 C ATOM 704 O SER A 51 2.087 5.873 10.862 1.00 0.00 O ATOM 705 CB SER A 51 2.159 6.761 13.562 1.00 0.00 C ATOM 706 OG SER A 51 1.162 7.628 13.047 1.00 0.00 O ATOM 0 H SER A 51 3.869 4.719 12.950 1.00 0.00 H new ATOM 0 HA SER A 51 1.034 4.942 13.784 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.205 6.858 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.135 7.053 13.175 1.00 0.00 H new ATOM 0 HG SER A 51 1.368 8.552 13.302 1.00 0.00 H new ATOM 712 N MET A 52 0.481 4.399 11.419 1.00 0.00 N ATOM 713 CA MET A 52 0.015 4.222 10.048 1.00 0.00 C ATOM 714 C MET A 52 -1.440 4.660 9.909 1.00 0.00 C ATOM 715 O MET A 52 -2.266 4.383 10.778 1.00 0.00 O ATOM 716 CB MET A 52 0.163 2.761 9.620 1.00 0.00 C ATOM 717 CG MET A 52 1.607 2.332 9.412 1.00 0.00 C ATOM 718 SD MET A 52 2.143 2.504 7.699 1.00 0.00 S ATOM 719 CE MET A 52 1.530 0.975 6.999 1.00 0.00 C ATOM 0 H MET A 52 -0.027 3.848 12.111 1.00 0.00 H new ATOM 0 HA MET A 52 0.629 4.846 9.398 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.292 2.121 10.376 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.391 2.604 8.695 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.255 2.929 10.053 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.722 1.293 9.722 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.092 1.173 6.020 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.353 0.268 6.893 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.771 0.552 7.657 1.00 0.00 H new ATOM 729 N GLN A 53 -1.746 5.342 8.810 1.00 0.00 N ATOM 730 CA GLN A 53 -3.101 5.818 8.558 1.00 0.00 C ATOM 731 C GLN A 53 -3.472 5.649 7.089 1.00 0.00 C ATOM 732 O GLN A 53 -2.613 5.381 6.247 1.00 0.00 O ATOM 733 CB GLN A 53 -3.231 7.287 8.964 1.00 0.00 C ATOM 734 CG GLN A 53 -2.224 8.198 8.283 1.00 0.00 C ATOM 735 CD GLN A 53 -2.623 9.659 8.344 1.00 0.00 C ATOM 736 OE1 GLN A 53 -3.746 9.993 8.728 1.00 0.00 O ATOM 737 NE2 GLN A 53 -1.706 10.542 7.965 1.00 0.00 N ATOM 0 H GLN A 53 -1.074 5.577 8.080 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.787 5.221 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.238 7.632 8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.110 7.369 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.249 8.072 8.754 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.116 7.898 7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.789 10.223 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.919 11.539 7.985 1.00 0.00 H new ATOM 746 N ILE A 54 -4.756 5.807 6.787 1.00 0.00 N ATOM 747 CA ILE A 54 -5.241 5.673 5.419 1.00 0.00 C ATOM 748 C ILE A 54 -4.859 6.886 4.578 1.00 0.00 C ATOM 749 O ILE A 54 -5.040 8.029 5.001 1.00 0.00 O ATOM 750 CB ILE A 54 -6.771 5.496 5.378 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.176 4.206 6.095 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.265 5.485 3.939 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.844 2.951 5.317 1.00 0.00 C ATOM 0 H ILE A 54 -5.479 6.028 7.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.769 4.783 5.004 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.233 6.338 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.677 4.166 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.248 4.230 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.348 5.359 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.004 6.427 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.798 4.661 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.159 2.076 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.364 2.968 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.769 2.904 5.145 1.00 0.00 H new ATOM 765 N CYS A 55 -4.332 6.631 3.386 1.00 0.00 N ATOM 766 CA CYS A 55 -3.925 7.703 2.484 1.00 0.00 C ATOM 767 C CYS A 55 -4.733 7.664 1.191 1.00 0.00 C ATOM 768 O CYS A 55 -5.060 8.703 0.620 1.00 0.00 O ATOM 769 CB CYS A 55 -2.432 7.595 2.171 1.00 0.00 C ATOM 770 SG CYS A 55 -1.367 8.468 3.342 1.00 0.00 S ATOM 0 H CYS A 55 -4.176 5.691 3.021 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.117 8.654 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.150 6.542 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.252 7.988 1.170 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.181 8.608 2.829 1.00 0.00 H new ATOM 776 N TYR A 56 -5.050 6.456 0.736 1.00 0.00 N ATOM 777 CA TYR A 56 -5.816 6.280 -0.492 1.00 0.00 C ATOM 778 C TYR A 56 -6.805 5.126 -0.355 1.00 0.00 C ATOM 779 O TYR A 56 -6.480 4.078 0.203 1.00 0.00 O ATOM 780 CB TYR A 56 -4.877 6.025 -1.672 1.00 0.00 C ATOM 781 CG TYR A 56 -5.585 5.532 -2.914 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.862 4.182 -3.089 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.977 6.416 -3.911 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.509 3.727 -4.222 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.624 5.970 -5.047 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.887 4.625 -5.198 1.00 0.00 C ATOM 787 OH TYR A 56 -7.531 4.175 -6.328 1.00 0.00 O ATOM 0 H TYR A 56 -4.788 5.586 1.199 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.377 7.196 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.346 6.947 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.127 5.292 -1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.567 3.476 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.772 7.470 -3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.717 2.674 -4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.922 6.671 -5.813 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.730 4.934 -6.915 1.00 0.00 H new ATOM 797 N CYS A 57 -8.012 5.326 -0.872 1.00 0.00 N ATOM 798 CA CYS A 57 -9.050 4.303 -0.810 1.00 0.00 C ATOM 799 C CYS A 57 -9.788 4.195 -2.139 1.00 0.00 C ATOM 800 O CYS A 57 -10.236 5.197 -2.696 1.00 0.00 O ATOM 801 CB CYS A 57 -10.040 4.620 0.313 1.00 0.00 C ATOM 802 SG CYS A 57 -11.429 5.657 -0.198 1.00 0.00 S ATOM 0 H CYS A 57 -8.296 6.187 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.571 3.346 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.428 3.684 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.507 5.119 1.123 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.407 5.807 -1.489 1.00 0.00 H new ATOM 808 N GLY A 58 -9.912 2.972 -2.645 1.00 0.00 N ATOM 809 CA GLY A 58 -10.595 2.756 -3.907 1.00 0.00 C ATOM 810 C GLY A 58 -10.164 1.472 -4.587 1.00 0.00 C ATOM 811 O GLY A 58 -9.212 0.813 -4.170 1.00 0.00 O ATOM 0 H GLY A 58 -9.551 2.126 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.671 2.729 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.400 3.598 -4.571 1.00 0.00 H new ATOM 815 N PRO A 59 -10.878 1.098 -5.661 1.00 0.00 N ATOM 816 CA PRO A 59 -10.582 -0.120 -6.422 1.00 0.00 C ATOM 817 C PRO A 59 -9.278 -0.012 -7.203 1.00 0.00 C ATOM 818 O PRO A 59 -8.767 -1.007 -7.717 1.00 0.00 O ATOM 819 CB PRO A 59 -11.771 -0.236 -7.379 1.00 0.00 C ATOM 820 CG PRO A 59 -12.271 1.159 -7.533 1.00 0.00 C ATOM 821 CD PRO A 59 -12.026 1.835 -6.213 1.00 0.00 C ATOM 0 HA PRO A 59 -10.453 -0.986 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.468 -0.656 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.543 -0.891 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.748 1.674 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.331 1.168 -7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.801 2.894 -6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.897 1.770 -5.560 1.00 0.00 H new ATOM 829 N GLY A 60 -8.742 1.202 -7.289 1.00 0.00 N ATOM 830 CA GLY A 60 -7.501 1.416 -8.010 1.00 0.00 C ATOM 831 C GLY A 60 -6.457 0.364 -7.692 1.00 0.00 C ATOM 832 O GLY A 60 -6.627 -0.430 -6.766 1.00 0.00 O ATOM 0 H GLY A 60 -9.145 2.041 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.702 1.412 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.106 2.402 -7.763 1.00 0.00 H new ATOM 836 N LEU A 61 -5.374 0.355 -8.462 1.00 0.00 N ATOM 837 CA LEU A 61 -4.298 -0.608 -8.259 1.00 0.00 C ATOM 838 C LEU A 61 -2.939 0.084 -8.268 1.00 0.00 C ATOM 839 O LEU A 61 -1.907 -0.557 -8.469 1.00 0.00 O ATOM 840 CB LEU A 61 -4.341 -1.687 -9.342 1.00 0.00 C ATOM 841 CG LEU A 61 -5.689 -2.381 -9.545 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.678 -3.202 -10.825 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.022 -3.259 -8.348 1.00 0.00 C ATOM 0 H LEU A 61 -5.218 1.004 -9.233 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.441 -1.075 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.041 -1.236 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.597 -2.446 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.461 -1.616 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.645 -3.689 -10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.485 -2.548 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.896 -3.959 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.984 -3.745 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.248 -4.017 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.072 -2.645 -7.449 1.00 0.00 H new ATOM 855 N SER A 62 -2.946 1.394 -8.045 1.00 0.00 N ATOM 856 CA SER A 62 -1.713 2.174 -8.028 1.00 0.00 C ATOM 857 C SER A 62 -1.963 3.572 -7.475 1.00 0.00 C ATOM 858 O SER A 62 -3.022 4.159 -7.693 1.00 0.00 O ATOM 859 CB SER A 62 -1.127 2.268 -9.439 1.00 0.00 C ATOM 860 OG SER A 62 -0.391 1.101 -9.764 1.00 0.00 O ATOM 0 H SER A 62 -3.792 1.938 -7.874 1.00 0.00 H new ATOM 0 HA SER A 62 -0.999 1.668 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.931 2.408 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.479 3.142 -9.510 1.00 0.00 H new ATOM 0 HG SER A 62 -0.566 0.407 -9.094 1.00 0.00 H new ATOM 866 N TYR A 63 -0.979 4.101 -6.755 1.00 0.00 N ATOM 867 CA TYR A 63 -1.090 5.430 -6.167 1.00 0.00 C ATOM 868 C TYR A 63 0.245 6.165 -6.223 1.00 0.00 C ATOM 869 O TYR A 63 1.308 5.551 -6.128 1.00 0.00 O ATOM 870 CB TYR A 63 -1.569 5.330 -4.717 1.00 0.00 C ATOM 871 CG TYR A 63 -1.815 6.673 -4.066 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.859 7.488 -4.486 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.003 7.126 -3.034 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.088 8.716 -3.895 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.225 8.352 -2.437 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.268 9.143 -2.871 1.00 0.00 C ATOM 877 OH TYR A 63 -2.492 10.365 -2.279 1.00 0.00 O ATOM 0 H TYR A 63 -0.095 3.629 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.819 5.996 -6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.489 4.747 -4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.827 4.784 -4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.502 7.156 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.185 6.510 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.904 9.338 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.585 8.689 -1.635 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.827 10.514 -1.575 1.00 0.00 H new ATOM 887 N GLU A 64 0.181 7.484 -6.380 1.00 0.00 N ATOM 888 CA GLU A 64 1.385 8.303 -6.449 1.00 0.00 C ATOM 889 C GLU A 64 1.509 9.195 -5.217 1.00 0.00 C ATOM 890 O GLU A 64 0.616 9.991 -4.922 1.00 0.00 O ATOM 891 CB GLU A 64 1.372 9.163 -7.715 1.00 0.00 C ATOM 892 CG GLU A 64 2.680 9.893 -7.969 1.00 0.00 C ATOM 893 CD GLU A 64 2.683 10.642 -9.288 1.00 0.00 C ATOM 894 OE1 GLU A 64 1.677 11.317 -9.589 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.693 10.553 -10.017 1.00 0.00 O ATOM 0 H GLU A 64 -0.691 8.007 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 64 2.246 7.635 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.147 8.529 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.567 9.894 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.864 10.595 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.500 9.175 -7.961 1.00 0.00 H new ATOM 902 N ILE A 65 2.619 9.055 -4.502 1.00 0.00 N ATOM 903 CA ILE A 65 2.860 9.848 -3.302 1.00 0.00 C ATOM 904 C ILE A 65 3.973 10.865 -3.529 1.00 0.00 C ATOM 905 O ILE A 65 4.982 10.566 -4.169 1.00 0.00 O ATOM 906 CB ILE A 65 3.231 8.956 -2.102 1.00 0.00 C ATOM 907 CG1 ILE A 65 2.023 8.126 -1.663 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.744 9.806 -0.950 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.396 6.867 -0.913 1.00 0.00 C ATOM 0 H ILE A 65 3.366 8.400 -4.732 1.00 0.00 H new ATOM 0 HA ILE A 65 1.931 10.373 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 65 4.025 8.274 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.381 8.739 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.439 7.856 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.002 9.162 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.628 10.357 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.970 10.509 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.491 6.329 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.013 6.233 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.954 7.131 -0.015 1.00 0.00 H new ATOM 921 N LYS A 66 3.785 12.069 -2.999 1.00 0.00 N ATOM 922 CA LYS A 66 4.774 13.131 -3.140 1.00 0.00 C ATOM 923 C LYS A 66 4.841 13.983 -1.877 1.00 0.00 C ATOM 924 O LYS A 66 4.063 13.789 -0.943 1.00 0.00 O ATOM 925 CB LYS A 66 4.437 14.012 -4.345 1.00 0.00 C ATOM 926 CG LYS A 66 4.760 13.364 -5.681 1.00 0.00 C ATOM 927 CD LYS A 66 4.719 14.375 -6.815 1.00 0.00 C ATOM 928 CE LYS A 66 3.290 14.757 -7.170 1.00 0.00 C ATOM 929 NZ LYS A 66 3.217 16.098 -7.812 1.00 0.00 N ATOM 0 H LYS A 66 2.956 12.334 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 66 5.748 12.668 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.376 14.260 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.986 14.950 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.748 12.907 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.048 12.563 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.275 15.268 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.214 13.959 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.871 14.009 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.678 14.753 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.227 16.321 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.593 16.816 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.780 16.095 -8.687 1.00 0.00 H new ATOM 943 N GLY A 67 5.775 14.929 -1.855 1.00 0.00 N ATOM 944 CA GLY A 67 5.925 15.797 -0.702 1.00 0.00 C ATOM 945 C GLY A 67 6.575 15.095 0.473 1.00 0.00 C ATOM 946 O GLY A 67 6.251 15.371 1.628 1.00 0.00 O ATOM 0 H GLY A 67 6.430 15.110 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.524 16.664 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.946 16.169 -0.402 1.00 0.00 H new ATOM 950 N LEU A 68 7.493 14.181 0.179 1.00 0.00 N ATOM 951 CA LEU A 68 8.191 13.434 1.221 1.00 0.00 C ATOM 952 C LEU A 68 9.548 14.060 1.524 1.00 0.00 C ATOM 953 O LEU A 68 9.913 15.085 0.948 1.00 0.00 O ATOM 954 CB LEU A 68 8.372 11.976 0.795 1.00 0.00 C ATOM 955 CG LEU A 68 7.112 11.254 0.316 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.475 9.957 -0.389 1.00 0.00 C ATOM 957 CD2 LEU A 68 6.174 10.986 1.484 1.00 0.00 C ATOM 0 H LEU A 68 7.772 13.939 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 68 7.586 13.469 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.112 11.941 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.786 11.421 1.637 1.00 0.00 H new ATOM 0 HG LEU A 68 6.596 11.898 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.566 9.457 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.106 10.175 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.014 9.307 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.283 10.472 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.680 10.363 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.886 11.931 1.944 1.00 0.00 H new ATOM 969 N SER A 69 10.292 13.436 2.432 1.00 0.00 N ATOM 970 CA SER A 69 11.608 13.933 2.813 1.00 0.00 C ATOM 971 C SER A 69 12.685 12.889 2.533 1.00 0.00 C ATOM 972 O SER A 69 12.475 11.686 2.690 1.00 0.00 O ATOM 973 CB SER A 69 11.624 14.313 4.295 1.00 0.00 C ATOM 974 OG SER A 69 11.024 15.580 4.503 1.00 0.00 O ATOM 0 H SER A 69 10.005 12.586 2.917 1.00 0.00 H new ATOM 0 HA SER A 69 11.821 14.819 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.094 13.557 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.652 14.330 4.658 1.00 0.00 H new ATOM 0 HG SER A 69 11.045 15.799 5.458 1.00 0.00 H new ATOM 980 N PRO A 70 13.868 13.358 2.109 1.00 0.00 N ATOM 981 CA PRO A 70 15.002 12.483 1.799 1.00 0.00 C ATOM 982 C PRO A 70 15.595 11.838 3.046 1.00 0.00 C ATOM 983 O PRO A 70 15.680 12.467 4.101 1.00 0.00 O ATOM 984 CB PRO A 70 16.015 13.430 1.152 1.00 0.00 C ATOM 985 CG PRO A 70 15.679 14.774 1.701 1.00 0.00 C ATOM 986 CD PRO A 70 14.189 14.780 1.900 1.00 0.00 C ATOM 0 HA PRO A 70 14.710 11.649 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.038 13.145 1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.934 13.414 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.199 14.952 2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.984 15.563 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.900 15.388 2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.669 15.186 1.032 1.00 0.00 H new ATOM 994 N ALA A 71 16.005 10.580 2.919 1.00 0.00 N ATOM 995 CA ALA A 71 16.593 9.851 4.036 1.00 0.00 C ATOM 996 C ALA A 71 15.575 9.641 5.151 1.00 0.00 C ATOM 997 O ALA A 71 15.828 9.975 6.309 1.00 0.00 O ATOM 998 CB ALA A 71 17.813 10.591 4.565 1.00 0.00 C ATOM 0 H ALA A 71 15.941 10.045 2.053 1.00 0.00 H new ATOM 0 HA ALA A 71 16.904 8.871 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.242 10.036 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.554 10.684 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.518 11.584 4.904 1.00 0.00 H new ATOM 1004 N THR A 72 14.421 9.085 4.795 1.00 0.00 N ATOM 1005 CA THR A 72 13.363 8.832 5.765 1.00 0.00 C ATOM 1006 C THR A 72 12.707 7.478 5.523 1.00 0.00 C ATOM 1007 O THR A 72 12.418 7.111 4.384 1.00 0.00 O ATOM 1008 CB THR A 72 12.283 9.929 5.718 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.857 11.197 6.057 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.145 9.610 6.676 1.00 0.00 C ATOM 0 H THR A 72 14.195 8.801 3.842 1.00 0.00 H new ATOM 0 HA THR A 72 13.830 8.835 6.750 1.00 0.00 H new ATOM 0 HB THR A 72 11.883 9.971 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.164 11.889 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.395 10.399 6.625 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.691 8.659 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.533 9.543 7.692 1.00 0.00 H new ATOM 1018 N THR A 73 12.473 6.737 6.601 1.00 0.00 N ATOM 1019 CA THR A 73 11.851 5.422 6.505 1.00 0.00 C ATOM 1020 C THR A 73 10.337 5.539 6.370 1.00 0.00 C ATOM 1021 O THR A 73 9.712 6.397 6.993 1.00 0.00 O ATOM 1022 CB THR A 73 12.180 4.554 7.734 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.558 4.710 8.090 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.886 3.087 7.454 1.00 0.00 C ATOM 0 H THR A 73 12.705 7.025 7.552 1.00 0.00 H new ATOM 0 HA THR A 73 12.257 4.944 5.613 1.00 0.00 H new ATOM 0 HB THR A 73 11.552 4.883 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.758 4.156 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.126 2.493 8.336 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.830 2.967 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.491 2.749 6.613 1.00 0.00 H new ATOM 1032 N TYR A 74 9.753 4.670 5.552 1.00 0.00 N ATOM 1033 CA TYR A 74 8.311 4.677 5.334 1.00 0.00 C ATOM 1034 C TYR A 74 7.766 3.255 5.244 1.00 0.00 C ATOM 1035 O TYR A 74 8.519 2.302 5.044 1.00 0.00 O ATOM 1036 CB TYR A 74 7.970 5.448 4.057 1.00 0.00 C ATOM 1037 CG TYR A 74 8.078 6.949 4.208 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.026 7.691 4.732 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.231 7.624 3.827 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.119 9.062 4.872 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.334 8.995 3.964 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.275 9.709 4.487 1.00 0.00 C ATOM 1043 OH TYR A 74 8.374 11.075 4.623 1.00 0.00 O ATOM 0 H TYR A 74 10.255 3.952 5.029 1.00 0.00 H new ATOM 0 HA TYR A 74 7.844 5.172 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.636 5.123 3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.955 5.194 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.120 7.187 5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.061 7.068 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.292 9.624 5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.238 9.505 3.664 1.00 0.00 H new ATOM 0 HH TYR A 74 9.312 11.345 4.537 1.00 0.00 H new ATOM 1053 N TYR A 75 6.453 3.121 5.392 1.00 0.00 N ATOM 1054 CA TYR A 75 5.806 1.816 5.329 1.00 0.00 C ATOM 1055 C TYR A 75 4.430 1.921 4.677 1.00 0.00 C ATOM 1056 O TYR A 75 3.799 2.977 4.700 1.00 0.00 O ATOM 1057 CB TYR A 75 5.674 1.221 6.732 1.00 0.00 C ATOM 1058 CG TYR A 75 6.982 1.152 7.486 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.551 2.295 8.035 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.650 -0.055 7.650 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.747 2.238 8.724 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.846 -0.122 8.338 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.390 1.027 8.874 1.00 0.00 C ATOM 1064 OH TYR A 75 10.581 0.964 9.560 1.00 0.00 O ATOM 0 H TYR A 75 5.816 3.900 5.556 1.00 0.00 H new ATOM 0 HA TYR A 75 6.427 1.159 4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.965 1.818 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.256 0.217 6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.049 3.245 7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.227 -0.957 7.232 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.176 3.136 9.143 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.352 -1.069 8.456 1.00 0.00 H new ATOM 0 HH TYR A 75 10.901 0.038 9.575 1.00 0.00 H new ATOM 1074 N CYS A 76 3.973 0.817 4.096 1.00 0.00 N ATOM 1075 CA CYS A 76 2.673 0.783 3.437 1.00 0.00 C ATOM 1076 C CYS A 76 2.045 -0.603 3.544 1.00 0.00 C ATOM 1077 O CYS A 76 2.735 -1.618 3.439 1.00 0.00 O ATOM 1078 CB CYS A 76 2.812 1.181 1.967 1.00 0.00 C ATOM 1079 SG CYS A 76 3.435 -0.140 0.901 1.00 0.00 S ATOM 0 H CYS A 76 4.483 -0.066 4.068 1.00 0.00 H new ATOM 0 HA CYS A 76 2.020 1.497 3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.840 1.505 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.482 2.038 1.895 1.00 0.00 H new ATOM 0 HG CYS A 76 3.449 -1.260 1.561 1.00 0.00 H new ATOM 1085 N ARG A 77 0.733 -0.639 3.756 1.00 0.00 N ATOM 1086 CA ARG A 77 0.014 -1.900 3.880 1.00 0.00 C ATOM 1087 C ARG A 77 -1.312 -1.847 3.125 1.00 0.00 C ATOM 1088 O ARG A 77 -2.110 -0.929 3.313 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.241 -2.224 5.354 1.00 0.00 C ATOM 1090 CG ARG A 77 -1.129 -1.210 6.056 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.403 -1.613 7.497 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.773 -0.468 8.324 1.00 0.00 N ATOM 1093 CZ ARG A 77 -2.217 -0.576 9.571 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -2.345 -1.771 10.132 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -2.534 0.513 10.261 1.00 0.00 N ATOM 0 H ARG A 77 0.147 0.191 3.845 1.00 0.00 H new ATOM 0 HA ARG A 77 0.631 -2.685 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.702 -3.209 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.715 -2.280 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.651 -0.230 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.072 -1.116 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.204 -2.352 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.517 -2.091 7.915 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.686 0.465 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.102 -2.610 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.686 -1.851 11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.437 1.434 9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.875 0.429 11.219 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.538 -2.838 2.268 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.766 -2.905 1.484 1.00 0.00 C ATOM 1111 C VAL A 78 -3.559 -4.165 1.811 1.00 0.00 C ATOM 1112 O VAL A 78 -2.983 -5.216 2.092 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.469 -2.875 -0.027 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.749 -4.146 -0.454 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.755 -2.689 -0.818 1.00 0.00 C ATOM 0 H VAL A 78 -0.887 -3.605 2.099 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.358 -2.029 1.748 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.815 -2.028 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.547 -4.108 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.808 -4.231 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.375 -5.010 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.527 -2.670 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.435 -3.515 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.226 -1.749 -0.531 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.882 -4.052 1.772 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.754 -5.183 2.064 1.00 0.00 C ATOM 1127 C GLN A 79 -6.929 -5.232 1.093 1.00 0.00 C ATOM 1128 O GLN A 79 -7.230 -4.245 0.420 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.270 -5.100 3.503 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.435 -4.139 3.676 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.886 -4.024 5.118 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.537 -3.071 5.817 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.667 -4.997 5.574 1.00 0.00 N ATOM 0 H GLN A 79 -5.374 -3.189 1.541 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.171 -6.096 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.578 -6.094 3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.454 -4.790 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.146 -3.154 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.272 -4.474 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.932 -5.768 4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.002 -4.973 6.537 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.588 -6.383 1.025 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.731 -6.558 0.137 1.00 0.00 C ATOM 1144 C ALA A 80 -10.031 -6.652 0.928 1.00 0.00 C ATOM 1145 O ALA A 80 -10.209 -7.557 1.744 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.544 -7.797 -0.725 1.00 0.00 C ATOM 0 H ALA A 80 -7.350 -7.209 1.574 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.794 -5.684 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.405 -7.916 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.640 -7.690 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.453 -8.675 -0.085 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.937 -5.712 0.682 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.222 -5.688 1.372 1.00 0.00 C ATOM 1154 C LEU A 81 -13.310 -6.333 0.520 1.00 0.00 C ATOM 1155 O LEU A 81 -13.392 -6.094 -0.685 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.612 -4.250 1.716 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.861 -3.611 2.885 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.596 -2.925 2.395 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.757 -2.623 3.618 1.00 0.00 C ATOM 0 H LEU A 81 -10.805 -4.956 0.010 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.122 -6.261 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.459 -3.632 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.678 -4.228 1.940 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.575 -4.398 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.075 -2.476 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.947 -3.658 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.858 -2.148 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.206 -2.178 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.073 -1.839 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.634 -3.143 4.003 1.00 0.00 H new ATOM 1171 N SER A 82 -14.145 -7.150 1.153 1.00 0.00 N ATOM 1172 CA SER A 82 -15.228 -7.830 0.452 1.00 0.00 C ATOM 1173 C SER A 82 -16.586 -7.370 0.972 1.00 0.00 C ATOM 1174 O SER A 82 -16.672 -6.463 1.800 1.00 0.00 O ATOM 1175 CB SER A 82 -15.095 -9.346 0.612 1.00 0.00 C ATOM 1176 OG SER A 82 -14.852 -9.696 1.964 1.00 0.00 O ATOM 0 H SER A 82 -14.093 -7.357 2.150 1.00 0.00 H new ATOM 0 HA SER A 82 -15.159 -7.576 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.006 -9.833 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.280 -9.711 -0.014 1.00 0.00 H new ATOM 0 HG SER A 82 -14.772 -10.670 2.041 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.647 -8.002 0.481 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.002 -7.659 0.896 1.00 0.00 C ATOM 1184 C VAL A 83 -19.485 -8.581 2.011 1.00 0.00 C ATOM 1185 O VAL A 83 -20.563 -8.384 2.570 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.988 -7.740 -0.284 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.930 -6.469 -1.117 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.694 -8.962 -1.141 1.00 0.00 C ATOM 0 H VAL A 83 -17.594 -8.755 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.970 -6.633 1.264 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.997 -7.839 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.634 -6.545 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.193 -5.614 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.921 -6.336 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.400 -9.003 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.679 -8.896 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.792 -9.863 -0.536 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.677 -9.588 2.329 1.00 0.00 N ATOM 1199 CA VAL A 84 -19.022 -10.540 3.379 1.00 0.00 C ATOM 1200 C VAL A 84 -18.034 -10.460 4.538 1.00 0.00 C ATOM 1201 O VAL A 84 -18.237 -11.076 5.584 1.00 0.00 O ATOM 1202 CB VAL A 84 -19.049 -11.982 2.841 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.634 -12.497 2.617 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.811 -12.891 3.794 1.00 0.00 C ATOM 0 H VAL A 84 -17.781 -9.765 1.876 1.00 0.00 H new ATOM 0 HA VAL A 84 -20.018 -10.274 3.734 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.566 -11.983 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.674 -13.518 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.125 -11.860 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.088 -12.483 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.821 -13.907 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.324 -12.886 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.835 -12.533 3.898 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.963 -9.696 4.345 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.960 -9.549 5.383 1.00 0.00 C ATOM 1216 C GLY A 85 -14.837 -8.616 4.975 1.00 0.00 C ATOM 1217 O GLY A 85 -15.077 -7.575 4.364 1.00 0.00 O ATOM 0 H GLY A 85 -16.772 -9.176 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.432 -9.170 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.546 -10.528 5.625 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.607 -8.988 5.316 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.443 -8.177 4.982 1.00 0.00 C ATOM 1223 C ALA A 86 -11.151 -8.965 5.173 1.00 0.00 C ATOM 1224 O ALA A 86 -10.911 -9.533 6.236 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.421 -6.912 5.826 1.00 0.00 C ATOM 0 H ALA A 86 -13.391 -9.846 5.823 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.516 -7.898 3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.546 -6.316 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.324 -6.332 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.377 -7.180 6.882 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.323 -8.995 4.133 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.066 -9.717 4.206 1.00 0.00 C ATOM 1233 C GLY A 87 -8.057 -9.034 5.109 1.00 0.00 C ATOM 1234 O GLY A 87 -8.165 -7.845 5.406 1.00 0.00 O ATOM 0 H GLY A 87 -10.500 -8.532 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.251 -10.727 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.647 -9.813 3.204 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.051 -9.797 5.561 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.999 -9.279 6.442 1.00 0.00 C ATOM 1240 C PRO A 88 -5.070 -8.306 5.724 1.00 0.00 C ATOM 1241 O PRO A 88 -5.276 -7.982 4.555 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.236 -10.537 6.860 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.476 -11.511 5.758 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.860 -11.223 5.247 1.00 0.00 C ATOM 0 HA PRO A 88 -6.409 -8.715 7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.172 -10.332 6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.599 -10.921 7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.736 -11.395 4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.399 -12.536 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.941 -11.413 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.607 -11.846 5.738 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.046 -7.841 6.434 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.085 -6.903 5.866 1.00 0.00 C ATOM 1254 C PHE A 89 -1.888 -7.642 5.276 1.00 0.00 C ATOM 1255 O PHE A 89 -1.369 -8.584 5.876 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.614 -5.914 6.932 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.486 -4.696 7.049 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.577 -3.790 6.005 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.217 -4.460 8.202 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.379 -2.669 6.110 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.021 -3.341 8.313 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.103 -2.445 7.265 1.00 0.00 C ATOM 0 H PHE A 89 -3.861 -8.099 7.403 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.581 -6.354 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.581 -6.421 7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.596 -5.601 6.701 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.015 -3.961 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.158 -5.158 9.024 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.440 -1.969 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.584 -3.168 9.218 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.732 -1.571 7.348 1.00 0.00 H new ATOM 1272 N SER A 90 -1.454 -7.209 4.097 1.00 0.00 N ATOM 1273 CA SER A 90 -0.320 -7.832 3.423 1.00 0.00 C ATOM 1274 C SER A 90 0.973 -7.584 4.194 1.00 0.00 C ATOM 1275 O SER A 90 0.968 -6.940 5.243 1.00 0.00 O ATOM 1276 CB SER A 90 -0.188 -7.293 1.997 1.00 0.00 C ATOM 1277 OG SER A 90 -0.126 -5.878 1.990 1.00 0.00 O ATOM 0 H SER A 90 -1.870 -6.429 3.588 1.00 0.00 H new ATOM 0 HA SER A 90 -0.498 -8.907 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.709 -7.702 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.037 -7.626 1.399 1.00 0.00 H new ATOM 0 HG SER A 90 -1.034 -5.511 2.020 1.00 0.00 H new ATOM 1283 N GLU A 91 2.079 -8.099 3.666 1.00 0.00 N ATOM 1284 CA GLU A 91 3.379 -7.934 4.304 1.00 0.00 C ATOM 1285 C GLU A 91 3.852 -6.486 4.210 1.00 0.00 C ATOM 1286 O GLU A 91 4.036 -5.951 3.118 1.00 0.00 O ATOM 1287 CB GLU A 91 4.411 -8.861 3.658 1.00 0.00 C ATOM 1288 CG GLU A 91 4.384 -10.278 4.207 1.00 0.00 C ATOM 1289 CD GLU A 91 4.739 -10.340 5.680 1.00 0.00 C ATOM 1290 OE1 GLU A 91 3.823 -10.200 6.518 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.933 -10.526 5.995 1.00 0.00 O ATOM 0 H GLU A 91 2.100 -8.634 2.798 1.00 0.00 H new ATOM 0 HA GLU A 91 3.273 -8.196 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.235 -8.893 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.406 -8.442 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.391 -10.702 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.082 -10.896 3.642 1.00 0.00 H new ATOM 1298 N VAL A 92 4.045 -5.857 5.365 1.00 0.00 N ATOM 1299 CA VAL A 92 4.496 -4.471 5.415 1.00 0.00 C ATOM 1300 C VAL A 92 5.755 -4.273 4.578 1.00 0.00 C ATOM 1301 O VAL A 92 6.809 -4.829 4.882 1.00 0.00 O ATOM 1302 CB VAL A 92 4.779 -4.025 6.861 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.425 -2.648 6.878 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.498 -4.032 7.682 1.00 0.00 C ATOM 0 H VAL A 92 3.896 -6.285 6.279 1.00 0.00 H new ATOM 0 HA VAL A 92 3.691 -3.861 5.006 1.00 0.00 H new ATOM 0 HB VAL A 92 5.475 -4.733 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.618 -2.349 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.365 -2.680 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.755 -1.926 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.717 -3.714 8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.776 -3.348 7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.081 -5.039 7.698 1.00 0.00 H new ATOM 1314 N VAL A 93 5.636 -3.475 3.521 1.00 0.00 N ATOM 1315 CA VAL A 93 6.765 -3.201 2.639 1.00 0.00 C ATOM 1316 C VAL A 93 7.464 -1.904 3.030 1.00 0.00 C ATOM 1317 O VAL A 93 6.980 -0.812 2.733 1.00 0.00 O ATOM 1318 CB VAL A 93 6.318 -3.108 1.169 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.526 -2.988 0.251 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.471 -4.314 0.793 1.00 0.00 C ATOM 0 H VAL A 93 4.770 -3.007 3.255 1.00 0.00 H new ATOM 0 HA VAL A 93 7.461 -4.033 2.747 1.00 0.00 H new ATOM 0 HB VAL A 93 5.708 -2.213 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.191 -2.923 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.090 -2.091 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.163 -3.864 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.164 -4.232 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.054 -5.225 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.587 -4.351 1.430 1.00 0.00 H new ATOM 1330 N ALA A 94 8.607 -2.032 3.698 1.00 0.00 N ATOM 1331 CA ALA A 94 9.375 -0.870 4.127 1.00 0.00 C ATOM 1332 C ALA A 94 10.162 -0.272 2.965 1.00 0.00 C ATOM 1333 O ALA A 94 10.543 -0.980 2.032 1.00 0.00 O ATOM 1334 CB ALA A 94 10.314 -1.248 5.263 1.00 0.00 C ATOM 0 H ALA A 94 9.021 -2.929 3.953 1.00 0.00 H new ATOM 0 HA ALA A 94 8.675 -0.115 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.881 -0.371 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.733 -1.621 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.001 -2.023 4.924 1.00 0.00 H new ATOM 1340 N CYS A 95 10.401 1.033 3.027 1.00 0.00 N ATOM 1341 CA CYS A 95 11.142 1.726 1.979 1.00 0.00 C ATOM 1342 C CYS A 95 11.766 3.010 2.513 1.00 0.00 C ATOM 1343 O CYS A 95 11.079 3.855 3.088 1.00 0.00 O ATOM 1344 CB CYS A 95 10.221 2.044 0.800 1.00 0.00 C ATOM 1345 SG CYS A 95 9.130 3.459 1.075 1.00 0.00 S ATOM 0 H CYS A 95 10.092 1.633 3.792 1.00 0.00 H new ATOM 0 HA CYS A 95 11.942 1.069 1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.831 2.236 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.612 1.167 0.582 1.00 0.00 H new ATOM 0 HG CYS A 95 9.728 4.327 1.836 1.00 0.00 H new ATOM 1351 N VAL A 96 13.074 3.151 2.320 1.00 0.00 N ATOM 1352 CA VAL A 96 13.791 4.333 2.783 1.00 0.00 C ATOM 1353 C VAL A 96 14.159 5.244 1.617 1.00 0.00 C ATOM 1354 O VAL A 96 14.914 4.855 0.724 1.00 0.00 O ATOM 1355 CB VAL A 96 15.075 3.948 3.543 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.829 5.194 3.983 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.742 3.067 4.738 1.00 0.00 C ATOM 0 H VAL A 96 13.658 2.462 1.846 1.00 0.00 H new ATOM 0 HA VAL A 96 13.122 4.865 3.459 1.00 0.00 H new ATOM 0 HB VAL A 96 15.719 3.381 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.733 4.902 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.100 5.784 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.195 5.790 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.660 2.804 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.079 3.606 5.414 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.248 2.158 4.394 1.00 0.00 H new ATOM 1367 N THR A 97 13.622 6.460 1.631 1.00 0.00 N ATOM 1368 CA THR A 97 13.892 7.427 0.575 1.00 0.00 C ATOM 1369 C THR A 97 15.368 7.806 0.540 1.00 0.00 C ATOM 1370 O THR A 97 16.052 7.828 1.564 1.00 0.00 O ATOM 1371 CB THR A 97 13.051 8.705 0.753 1.00 0.00 C ATOM 1372 OG1 THR A 97 12.949 9.033 2.144 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.658 8.523 0.167 1.00 0.00 C ATOM 0 H THR A 97 12.997 6.798 2.363 1.00 0.00 H new ATOM 0 HA THR A 97 13.619 6.949 -0.366 1.00 0.00 H new ATOM 0 HB THR A 97 13.548 9.517 0.223 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.704 9.977 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.083 9.439 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.737 8.301 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.155 7.699 0.673 1.00 0.00 H new ATOM 1381 N PRO A 98 15.874 8.111 -0.664 1.00 0.00 N ATOM 1382 CA PRO A 98 17.275 8.495 -0.860 1.00 0.00 C ATOM 1383 C PRO A 98 17.588 9.867 -0.273 1.00 0.00 C ATOM 1384 O PRO A 98 16.739 10.758 -0.230 1.00 0.00 O ATOM 1385 CB PRO A 98 17.427 8.518 -2.384 1.00 0.00 C ATOM 1386 CG PRO A 98 16.052 8.772 -2.897 1.00 0.00 C ATOM 1387 CD PRO A 98 15.117 8.104 -1.927 1.00 0.00 C ATOM 0 HA PRO A 98 17.959 7.809 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.119 9.299 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.821 7.572 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.850 9.841 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.929 8.365 -3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.177 8.648 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.869 7.090 -2.241 1.00 0.00 H new ATOM 1395 N PRO A 99 18.833 10.044 0.191 1.00 0.00 N ATOM 1396 CA PRO A 99 19.286 11.306 0.783 1.00 0.00 C ATOM 1397 C PRO A 99 19.408 12.421 -0.250 1.00 0.00 C ATOM 1398 O PRO A 99 19.737 12.172 -1.410 1.00 0.00 O ATOM 1399 CB PRO A 99 20.662 10.955 1.356 1.00 0.00 C ATOM 1400 CG PRO A 99 21.130 9.803 0.538 1.00 0.00 C ATOM 1401 CD PRO A 99 19.897 9.025 0.172 1.00 0.00 C ATOM 0 HA PRO A 99 18.583 11.683 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.349 11.798 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.596 10.690 2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.654 10.146 -0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.829 9.184 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.991 8.561 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.700 8.225 0.885 1.00 0.00 H new ATOM 1409 N SER A 100 19.141 13.650 0.177 1.00 0.00 N ATOM 1410 CA SER A 100 19.217 14.803 -0.711 1.00 0.00 C ATOM 1411 C SER A 100 20.310 15.766 -0.260 1.00 0.00 C ATOM 1412 O SER A 100 20.262 16.304 0.847 1.00 0.00 O ATOM 1413 CB SER A 100 17.871 15.528 -0.759 1.00 0.00 C ATOM 1414 OG SER A 100 17.821 16.442 -1.840 1.00 0.00 O ATOM 0 H SER A 100 18.870 13.873 1.135 1.00 0.00 H new ATOM 0 HA SER A 100 19.463 14.444 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.066 14.800 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.707 16.060 0.178 1.00 0.00 H new ATOM 0 HG SER A 100 16.950 16.891 -1.849 1.00 0.00 H new ATOM 1420 N SER A 101 21.297 15.979 -1.125 1.00 0.00 N ATOM 1421 CA SER A 101 22.405 16.875 -0.814 1.00 0.00 C ATOM 1422 C SER A 101 22.849 17.641 -2.056 1.00 0.00 C ATOM 1423 O SER A 101 22.908 17.087 -3.153 1.00 0.00 O ATOM 1424 CB SER A 101 23.583 16.084 -0.242 1.00 0.00 C ATOM 1425 OG SER A 101 23.298 15.623 1.069 1.00 0.00 O ATOM 0 H SER A 101 21.352 15.544 -2.046 1.00 0.00 H new ATOM 0 HA SER A 101 22.061 17.592 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.804 15.236 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 101 24.473 16.713 -0.225 1.00 0.00 H new ATOM 0 HG SER A 101 24.065 15.119 1.412 1.00 0.00 H new ATOM 1431 N GLY A 102 23.160 18.921 -1.875 1.00 0.00 N ATOM 1432 CA GLY A 102 23.595 19.744 -2.989 1.00 0.00 C ATOM 1433 C GLY A 102 23.892 21.172 -2.575 1.00 0.00 C ATOM 1434 O GLY A 102 24.022 21.481 -1.390 1.00 0.00 O ATOM 0 H GLY A 102 23.119 19.403 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 102 24.488 19.305 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.823 19.745 -3.759 1.00 0.00 H new ATOM 1438 N PRO A 103 24.004 22.069 -3.566 1.00 0.00 N ATOM 1439 CA PRO A 103 24.289 23.485 -3.322 1.00 0.00 C ATOM 1440 C PRO A 103 23.118 24.209 -2.667 1.00 0.00 C ATOM 1441 O PRO A 103 22.119 24.511 -3.321 1.00 0.00 O ATOM 1442 CB PRO A 103 24.544 24.042 -4.724 1.00 0.00 C ATOM 1443 CG PRO A 103 23.798 23.130 -5.636 1.00 0.00 C ATOM 1444 CD PRO A 103 23.859 21.768 -5.000 1.00 0.00 C ATOM 0 HA PRO A 103 25.125 23.619 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.188 25.068 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 103 25.608 24.052 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 103 22.766 23.458 -5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.247 23.118 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.957 21.190 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 103 24.701 21.186 -5.376 1.00 0.00 H new ATOM 1452 N SER A 104 23.246 24.485 -1.373 1.00 0.00 N ATOM 1453 CA SER A 104 22.196 25.170 -0.629 1.00 0.00 C ATOM 1454 C SER A 104 22.281 26.679 -0.834 1.00 0.00 C ATOM 1455 O SER A 104 22.142 27.455 0.111 1.00 0.00 O ATOM 1456 CB SER A 104 22.299 24.841 0.861 1.00 0.00 C ATOM 1457 OG SER A 104 21.029 24.904 1.487 1.00 0.00 O ATOM 0 H SER A 104 24.067 24.244 -0.818 1.00 0.00 H new ATOM 0 HA SER A 104 21.234 24.823 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 104 22.721 23.844 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 104 22.981 25.540 1.345 1.00 0.00 H new ATOM 0 HG SER A 104 21.122 24.688 2.438 1.00 0.00 H new ATOM 1463 N SER A 105 22.511 27.088 -2.079 1.00 0.00 N ATOM 1464 CA SER A 105 22.618 28.505 -2.410 1.00 0.00 C ATOM 1465 C SER A 105 22.235 28.752 -3.866 1.00 0.00 C ATOM 1466 O SER A 105 21.920 27.820 -4.604 1.00 0.00 O ATOM 1467 CB SER A 105 24.042 29.003 -2.153 1.00 0.00 C ATOM 1468 OG SER A 105 24.958 28.422 -3.064 1.00 0.00 O ATOM 0 H SER A 105 22.627 26.459 -2.874 1.00 0.00 H new ATOM 0 HA SER A 105 21.927 29.056 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 105 24.073 30.089 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.337 28.761 -1.132 1.00 0.00 H new ATOM 0 HG SER A 105 25.860 28.758 -2.880 1.00 0.00 H new ATOM 1474 N GLY A 106 22.267 30.018 -4.271 1.00 0.00 N ATOM 1475 CA GLY A 106 21.921 30.368 -5.638 1.00 0.00 C ATOM 1476 C GLY A 106 20.784 29.526 -6.181 1.00 0.00 C ATOM 1477 O GLY A 106 20.906 28.919 -7.244 1.00 0.00 O ATOM 0 H GLY A 106 22.526 30.807 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 106 21.642 31.421 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 106 22.797 30.244 -6.275 1.00 0.00 H new TER 1481 GLY A 106