USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= -0.182 K(o=0.66,f=-1.3!) USER MOD Set 1.2: B 3 U O2' : rot -23:sc= 0.839 USER MOD Set 2.1: A 59 ASN : amide:sc= -0.889 K(o=-1.2,f=-6.6!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.292 K(o=-1.2,f=-2.9) USER MOD Set 3.1: A 6 THR OG1 : rot 81:sc= 2 USER MOD Set 3.2: A 47 SER OG : rot -130:sc= 1.04 USER MOD Set 3.3: A 49 HIS : no HD1:sc= -1.75 K(o=1.3,f=-0.6) USER MOD Set 4.1: A 39 LYS NZ :NH3+ -141:sc= 0.211 (180deg=-0.105) USER MOD Set 4.2: A 40 TYR OH : rot -87:sc= 0.132 USER MOD Set 5.1: A 16 SER OG : rot 170:sc= -0.139 USER MOD Set 5.2: A 56 GLN : amide:sc= 1.05 K(o=0.91,f=-2.6!) USER MOD Single : A 3 SER OG : rot 180:sc=-0.000186 USER MOD Single : A 4 ASN : amide:sc= 0.573 K(o=0.57,f=-0.44) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -144:sc= -0.274 (180deg=-1.34) USER MOD Single : A 15 ASN : amide:sc= 0.336 K(o=0.34,f=-1.3) USER MOD Single : A 22 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.857 X(o=-0.86,f=-0.61) USER MOD Single : A 25 THR OG1 : rot -8:sc= 0.76 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.975 (180deg=0.962) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00131 (180deg=-0.159) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=0.000142 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 135:sc= -0.265 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -26:sc= -0.827 USER MOD Single : A 74 MET CE :methyl 170:sc= -1.19 (180deg=-1.19) USER MOD Single : A 78 GLN : amide:sc= -0.818 K(o=-0.82,f=-0.054) USER MOD Single : A 83 ASN : amide:sc= -0.0103 K(o=-0.01,f=-0.79) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 1.91 (180deg=1.84) USER MOD Single : A 91 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.0068) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.012 (180deg=-0.297) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -38:sc= 0.812 USER MOD Single : B 1 U O5' : rot 180:sc= -0.175 USER MOD Single : B 2 U O2' : rot 15:sc= 0.221 USER MOD Single : B 4 U O2' : rot 145:sc= 0.544 USER MOD Single : B 5 C O2' : rot 179:sc= 0 USER MOD Single : B 5 C O3' : rot 124:sc= 0.00621 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.645 8.294 -5.890 1.00 0.00 N ATOM 2 CA ALA A 2 9.466 8.827 -5.188 1.00 0.00 C ATOM 3 C ALA A 2 9.872 9.501 -3.882 1.00 0.00 C ATOM 4 O ALA A 2 10.975 9.278 -3.381 1.00 0.00 O ATOM 5 CB ALA A 2 8.450 7.717 -4.932 1.00 0.00 C ATOM 0 HA ALA A 2 8.999 9.579 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.585 8.129 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.132 7.288 -5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.906 6.940 -4.318 1.00 0.00 H new ATOM 13 N SER A 3 8.981 10.330 -3.328 1.00 0.00 N ATOM 14 CA SER A 3 9.218 11.015 -2.062 1.00 0.00 C ATOM 15 C SER A 3 9.215 10.016 -0.909 1.00 0.00 C ATOM 16 O SER A 3 8.660 8.926 -1.033 1.00 0.00 O ATOM 17 CB SER A 3 8.143 12.079 -1.846 1.00 0.00 C ATOM 18 OG SER A 3 8.395 12.789 -0.651 1.00 0.00 O ATOM 0 H SER A 3 8.076 10.542 -3.748 1.00 0.00 H new ATOM 0 HA SER A 3 10.195 11.497 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.127 12.768 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.160 11.610 -1.799 1.00 0.00 H new ATOM 0 HG SER A 3 7.702 13.470 -0.522 1.00 0.00 H new ATOM 24 N ASN A 4 9.833 10.378 0.216 1.00 0.00 N ATOM 25 CA ASN A 4 9.873 9.533 1.401 1.00 0.00 C ATOM 26 C ASN A 4 8.635 9.737 2.278 1.00 0.00 C ATOM 27 O ASN A 4 8.520 9.118 3.334 1.00 0.00 O ATOM 28 CB ASN A 4 11.169 9.814 2.171 1.00 0.00 C ATOM 29 CG ASN A 4 11.240 11.263 2.634 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.742 12.126 1.915 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.739 11.549 3.830 1.00 0.00 N ATOM 0 H ASN A 4 10.319 11.268 0.327 1.00 0.00 H new ATOM 0 HA ASN A 4 9.863 8.487 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.231 9.152 3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.026 9.591 1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.763 12.508 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.330 10.810 4.401 1.00 0.00 H new ATOM 38 N VAL A 5 7.711 10.599 1.845 1.00 0.00 N ATOM 39 CA VAL A 5 6.528 10.938 2.622 1.00 0.00 C ATOM 40 C VAL A 5 5.311 10.151 2.145 1.00 0.00 C ATOM 41 O VAL A 5 5.087 10.012 0.943 1.00 0.00 O ATOM 42 CB VAL A 5 6.294 12.451 2.559 1.00 0.00 C ATOM 43 CG1 VAL A 5 5.035 12.849 3.328 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.489 13.175 3.182 1.00 0.00 C ATOM 0 H VAL A 5 7.767 11.078 0.946 1.00 0.00 H new ATOM 0 HA VAL A 5 6.689 10.658 3.663 1.00 0.00 H new ATOM 0 HB VAL A 5 6.173 12.730 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.896 13.928 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.170 12.346 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.139 12.557 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.325 14.252 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.600 12.867 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.395 12.923 2.630 1.00 0.00 H new ATOM 54 N THR A 6 4.531 9.638 3.100 1.00 0.00 N ATOM 55 CA THR A 6 3.323 8.865 2.822 1.00 0.00 C ATOM 56 C THR A 6 2.252 9.099 3.886 1.00 0.00 C ATOM 57 O THR A 6 1.189 8.486 3.823 1.00 0.00 O ATOM 58 CB THR A 6 3.650 7.366 2.765 1.00 0.00 C ATOM 59 OG1 THR A 6 4.261 6.965 3.971 1.00 0.00 O ATOM 60 CG2 THR A 6 4.594 7.021 1.614 1.00 0.00 C ATOM 0 H THR A 6 4.724 9.750 4.095 1.00 0.00 H new ATOM 0 HA THR A 6 2.939 9.199 1.858 1.00 0.00 H new ATOM 0 HB THR A 6 2.707 6.842 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.572 6.809 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.795 5.950 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.131 7.301 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.530 7.566 1.736 1.00 0.00 H new ATOM 68 N ASN A 7 2.497 9.970 4.869 1.00 0.00 N ATOM 69 CA ASN A 7 1.549 10.185 5.951 1.00 0.00 C ATOM 70 C ASN A 7 0.756 11.471 5.739 1.00 0.00 C ATOM 71 O ASN A 7 1.231 12.561 6.054 1.00 0.00 O ATOM 72 CB ASN A 7 2.298 10.169 7.286 1.00 0.00 C ATOM 73 CG ASN A 7 1.363 10.218 8.482 1.00 0.00 C ATOM 74 OD1 ASN A 7 0.142 10.277 8.343 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.937 10.193 9.680 1.00 0.00 N ATOM 0 H ASN A 7 3.344 10.534 4.932 1.00 0.00 H new ATOM 0 HA ASN A 7 0.817 9.378 5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.909 9.269 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.978 11.020 7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.362 10.223 10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.953 10.144 9.758 1.00 0.00 H new ATOM 82 N LYS A 8 -0.460 11.327 5.200 1.00 0.00 N ATOM 83 CA LYS A 8 -1.403 12.422 4.987 1.00 0.00 C ATOM 84 C LYS A 8 -2.818 11.917 5.269 1.00 0.00 C ATOM 85 O LYS A 8 -3.117 10.756 4.993 1.00 0.00 O ATOM 86 CB LYS A 8 -1.288 12.955 3.557 1.00 0.00 C ATOM 87 CG LYS A 8 0.079 13.614 3.343 1.00 0.00 C ATOM 88 CD LYS A 8 0.138 14.318 1.989 1.00 0.00 C ATOM 89 CE LYS A 8 0.033 13.308 0.845 1.00 0.00 C ATOM 90 NZ LYS A 8 0.105 13.981 -0.466 1.00 0.00 N ATOM 0 H LYS A 8 -0.821 10.423 4.894 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.173 13.244 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.421 12.140 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.081 13.678 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.269 14.333 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.864 12.860 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.673 15.043 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.071 14.874 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.837 12.577 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.906 12.760 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.031 13.273 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.677 14.661 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.012 14.484 -0.549 1.00 0.00 H new ATOM 104 N THR A 9 -3.681 12.774 5.814 1.00 0.00 N ATOM 105 CA THR A 9 -5.011 12.365 6.265 1.00 0.00 C ATOM 106 C THR A 9 -6.129 13.066 5.501 1.00 0.00 C ATOM 107 O THR A 9 -7.279 13.049 5.942 1.00 0.00 O ATOM 108 CB THR A 9 -5.147 12.588 7.773 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.932 13.950 8.073 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.130 11.744 8.540 1.00 0.00 C ATOM 0 H THR A 9 -3.480 13.764 5.955 1.00 0.00 H new ATOM 0 HA THR A 9 -5.116 11.301 6.053 1.00 0.00 H new ATOM 0 HB THR A 9 -6.152 12.292 8.073 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.021 14.090 9.039 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.245 11.919 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.297 10.689 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.122 12.022 8.233 1.00 0.00 H new ATOM 118 N ASP A 10 -5.815 13.684 4.359 1.00 0.00 N ATOM 119 CA ASP A 10 -6.825 14.336 3.538 1.00 0.00 C ATOM 120 C ASP A 10 -7.806 13.300 2.983 1.00 0.00 C ATOM 121 O ASP A 10 -7.429 12.147 2.780 1.00 0.00 O ATOM 122 CB ASP A 10 -6.145 15.122 2.415 1.00 0.00 C ATOM 123 CG ASP A 10 -5.188 16.171 2.976 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.675 17.278 3.304 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.978 15.860 3.073 1.00 0.00 O ATOM 0 H ASP A 10 -4.867 13.744 3.986 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.395 15.036 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.598 14.437 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.901 15.608 1.799 1.00 0.00 H new ATOM 130 N PRO A 11 -9.064 13.693 2.724 1.00 0.00 N ATOM 131 CA PRO A 11 -10.131 12.796 2.306 1.00 0.00 C ATOM 132 C PRO A 11 -9.885 12.175 0.931 1.00 0.00 C ATOM 133 O PRO A 11 -10.702 11.378 0.470 1.00 0.00 O ATOM 134 CB PRO A 11 -11.399 13.651 2.306 1.00 0.00 C ATOM 135 CG PRO A 11 -10.876 15.066 2.073 1.00 0.00 C ATOM 136 CD PRO A 11 -9.558 15.054 2.839 1.00 0.00 C ATOM 0 HA PRO A 11 -10.203 11.945 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.090 13.344 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.936 13.572 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.729 15.276 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.562 15.822 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.850 15.767 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.706 15.332 3.882 1.00 0.00 H new ATOM 144 N ARG A 12 -8.776 12.523 0.268 1.00 0.00 N ATOM 145 CA ARG A 12 -8.435 11.955 -1.032 1.00 0.00 C ATOM 146 C ARG A 12 -6.999 11.437 -1.022 1.00 0.00 C ATOM 147 O ARG A 12 -6.663 10.536 -1.785 1.00 0.00 O ATOM 148 CB ARG A 12 -8.675 13.024 -2.103 1.00 0.00 C ATOM 149 CG ARG A 12 -9.108 12.424 -3.447 1.00 0.00 C ATOM 150 CD ARG A 12 -7.942 11.944 -4.317 1.00 0.00 C ATOM 151 NE ARG A 12 -7.088 13.065 -4.736 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.821 13.256 -4.355 1.00 0.00 C ATOM 153 NH1 ARG A 12 -5.217 12.402 -3.532 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.148 14.313 -4.797 1.00 0.00 N ATOM 0 H ARG A 12 -8.098 13.200 0.617 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.067 11.097 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.441 13.717 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.762 13.603 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.778 11.585 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.678 13.170 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.347 11.219 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.330 11.431 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.496 13.753 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.721 11.587 -3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.250 12.562 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.598 14.978 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.181 14.460 -4.507 1.00 0.00 H new ATOM 168 N SER A 13 -6.142 11.994 -0.166 1.00 0.00 N ATOM 169 CA SER A 13 -4.750 11.569 -0.084 1.00 0.00 C ATOM 170 C SER A 13 -4.598 10.296 0.740 1.00 0.00 C ATOM 171 O SER A 13 -3.616 9.581 0.569 1.00 0.00 O ATOM 172 CB SER A 13 -3.897 12.689 0.508 1.00 0.00 C ATOM 173 OG SER A 13 -4.049 13.859 -0.269 1.00 0.00 O ATOM 0 H SER A 13 -6.391 12.742 0.481 1.00 0.00 H new ATOM 0 HA SER A 13 -4.406 11.349 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.196 12.883 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.849 12.389 0.531 1.00 0.00 H new ATOM 0 HG SER A 13 -3.503 14.578 0.112 1.00 0.00 H new ATOM 179 N MET A 14 -5.552 9.993 1.628 1.00 0.00 N ATOM 180 CA MET A 14 -5.502 8.741 2.368 1.00 0.00 C ATOM 181 C MET A 14 -6.271 7.631 1.649 1.00 0.00 C ATOM 182 O MET A 14 -6.370 6.517 2.162 1.00 0.00 O ATOM 183 CB MET A 14 -5.915 8.948 3.828 1.00 0.00 C ATOM 184 CG MET A 14 -7.420 8.869 4.080 1.00 0.00 C ATOM 185 SD MET A 14 -7.857 9.002 5.835 1.00 0.00 S ATOM 186 CE MET A 14 -6.904 7.616 6.527 1.00 0.00 C ATOM 0 H MET A 14 -6.351 10.589 1.844 1.00 0.00 H new ATOM 0 HA MET A 14 -4.469 8.395 2.400 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.417 8.198 4.443 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.555 9.922 4.159 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.917 9.666 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.799 7.925 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.470 7.153 7.335 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.715 6.879 5.747 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.954 7.985 6.915 1.00 0.00 H new ATOM 196 N ASN A 15 -6.811 7.931 0.464 1.00 0.00 N ATOM 197 CA ASN A 15 -7.481 6.946 -0.376 1.00 0.00 C ATOM 198 C ASN A 15 -6.660 6.688 -1.639 1.00 0.00 C ATOM 199 O ASN A 15 -6.795 5.634 -2.253 1.00 0.00 O ATOM 200 CB ASN A 15 -8.896 7.429 -0.696 1.00 0.00 C ATOM 201 CG ASN A 15 -9.766 7.436 0.553 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.090 6.384 1.096 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.150 8.619 1.025 1.00 0.00 N ATOM 0 H ASN A 15 -6.793 8.869 0.063 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.563 5.997 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.854 8.432 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.343 6.782 -1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.731 8.670 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.863 9.475 0.550 1.00 0.00 H new ATOM 210 N SER A 16 -5.803 7.636 -2.034 1.00 0.00 N ATOM 211 CA SER A 16 -4.819 7.408 -3.083 1.00 0.00 C ATOM 212 C SER A 16 -3.567 6.743 -2.514 1.00 0.00 C ATOM 213 O SER A 16 -2.610 6.496 -3.246 1.00 0.00 O ATOM 214 CB SER A 16 -4.490 8.723 -3.789 1.00 0.00 C ATOM 215 OG SER A 16 -3.927 9.638 -2.877 1.00 0.00 O ATOM 0 H SER A 16 -5.776 8.574 -1.635 1.00 0.00 H new ATOM 0 HA SER A 16 -5.240 6.726 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.794 8.540 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.394 9.145 -4.227 1.00 0.00 H new ATOM 0 HG SER A 16 -3.574 10.411 -3.365 1.00 0.00 H new ATOM 221 N ARG A 17 -3.569 6.450 -1.206 1.00 0.00 N ATOM 222 CA ARG A 17 -2.487 5.735 -0.548 1.00 0.00 C ATOM 223 C ARG A 17 -2.843 4.259 -0.417 1.00 0.00 C ATOM 224 O ARG A 17 -4.017 3.909 -0.310 1.00 0.00 O ATOM 225 CB ARG A 17 -2.209 6.357 0.821 1.00 0.00 C ATOM 226 CG ARG A 17 -0.984 5.686 1.446 1.00 0.00 C ATOM 227 CD ARG A 17 -0.430 6.522 2.590 1.00 0.00 C ATOM 228 NE ARG A 17 -1.423 6.748 3.644 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.028 7.917 3.870 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.812 8.974 3.092 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.867 8.032 4.892 1.00 0.00 N ATOM 0 H ARG A 17 -4.330 6.708 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.582 5.815 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.037 7.428 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.075 6.234 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.254 4.696 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.214 5.546 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.440 6.022 3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.088 7.482 2.203 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.668 5.961 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.172 8.903 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.287 9.856 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.046 7.231 5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.333 8.921 5.072 1.00 0.00 H new ATOM 245 N VAL A 18 -1.826 3.403 -0.422 1.00 0.00 N ATOM 246 CA VAL A 18 -1.997 1.968 -0.289 1.00 0.00 C ATOM 247 C VAL A 18 -1.127 1.450 0.847 1.00 0.00 C ATOM 248 O VAL A 18 0.064 1.737 0.909 1.00 0.00 O ATOM 249 CB VAL A 18 -1.662 1.268 -1.608 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.795 -0.243 -1.461 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.635 1.749 -2.680 1.00 0.00 C ATOM 0 H VAL A 18 -0.853 3.693 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.038 1.749 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.635 1.506 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.553 -0.723 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.110 -0.595 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.818 -0.492 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.407 1.257 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.655 1.506 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.540 2.828 -2.800 1.00 0.00 H new ATOM 261 N PHE A 19 -1.751 0.685 1.737 1.00 0.00 N ATOM 262 CA PHE A 19 -1.081 0.022 2.837 1.00 0.00 C ATOM 263 C PHE A 19 -0.612 -1.354 2.381 1.00 0.00 C ATOM 264 O PHE A 19 -1.369 -2.088 1.750 1.00 0.00 O ATOM 265 CB PHE A 19 -2.059 -0.077 4.010 1.00 0.00 C ATOM 266 CG PHE A 19 -1.552 -0.840 5.213 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.285 -0.571 5.746 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.366 -1.820 5.804 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.172 -1.281 6.866 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.909 -2.528 6.921 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.639 -2.266 7.451 1.00 0.00 C ATOM 0 H PHE A 19 -2.755 0.509 1.708 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.205 0.585 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.325 0.932 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.975 -0.552 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.341 0.184 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.344 -2.027 5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.148 -1.070 7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.538 -3.279 7.376 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.285 -2.820 8.307 1.00 0.00 H new ATOM 281 N ILE A 20 0.636 -1.702 2.700 1.00 0.00 N ATOM 282 CA ILE A 20 1.225 -2.985 2.339 1.00 0.00 C ATOM 283 C ILE A 20 1.631 -3.690 3.624 1.00 0.00 C ATOM 284 O ILE A 20 2.782 -3.626 4.051 1.00 0.00 O ATOM 285 CB ILE A 20 2.414 -2.774 1.396 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.970 -2.069 0.109 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.078 -4.112 1.040 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.169 -1.478 -0.635 1.00 0.00 C ATOM 0 H ILE A 20 1.268 -1.094 3.220 1.00 0.00 H new ATOM 0 HA ILE A 20 0.508 -3.607 1.803 1.00 0.00 H new ATOM 0 HB ILE A 20 3.137 -2.147 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.450 -2.777 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.261 -1.277 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.919 -3.934 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.435 -4.594 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.352 -4.759 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.826 -0.984 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.672 -0.753 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.864 -2.276 -0.896 1.00 0.00 H new ATOM 300 N GLY A 21 0.663 -4.366 4.241 1.00 0.00 N ATOM 301 CA GLY A 21 0.892 -5.116 5.462 1.00 0.00 C ATOM 302 C GLY A 21 1.428 -6.509 5.146 1.00 0.00 C ATOM 303 O GLY A 21 1.522 -6.902 3.983 1.00 0.00 O ATOM 0 H GLY A 21 -0.299 -4.405 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.601 -4.583 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.038 -5.198 6.025 1.00 0.00 H new ATOM 307 N ASN A 22 1.778 -7.258 6.193 1.00 0.00 N ATOM 308 CA ASN A 22 2.338 -8.596 6.058 1.00 0.00 C ATOM 309 C ASN A 22 3.473 -8.608 5.031 1.00 0.00 C ATOM 310 O ASN A 22 3.520 -9.469 4.156 1.00 0.00 O ATOM 311 CB ASN A 22 1.233 -9.609 5.729 1.00 0.00 C ATOM 312 CG ASN A 22 1.741 -11.042 5.828 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.731 -11.317 6.500 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.061 -11.970 5.158 1.00 0.00 N ATOM 0 H ASN A 22 1.679 -6.949 7.160 1.00 0.00 H new ATOM 0 HA ASN A 22 2.774 -8.897 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.396 -9.471 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.856 -9.424 4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.358 -12.945 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.243 -11.706 4.609 1.00 0.00 H new ATOM 321 N LEU A 23 4.390 -7.642 5.138 1.00 0.00 N ATOM 322 CA LEU A 23 5.532 -7.527 4.243 1.00 0.00 C ATOM 323 C LEU A 23 6.768 -8.122 4.918 1.00 0.00 C ATOM 324 O LEU A 23 6.923 -8.002 6.132 1.00 0.00 O ATOM 325 CB LEU A 23 5.707 -6.048 3.878 1.00 0.00 C ATOM 326 CG LEU A 23 6.857 -5.780 2.905 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.661 -6.487 1.567 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.938 -4.277 2.649 1.00 0.00 C ATOM 0 H LEU A 23 4.356 -6.916 5.854 1.00 0.00 H new ATOM 0 HA LEU A 23 5.376 -8.086 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.780 -5.680 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.876 -5.476 4.791 1.00 0.00 H new ATOM 0 HG LEU A 23 7.772 -6.163 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.503 -6.265 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.601 -7.563 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.739 -6.138 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.754 -4.069 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.999 -3.930 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.119 -3.757 3.590 1.00 0.00 H new ATOM 340 N ASN A 24 7.651 -8.766 4.145 1.00 0.00 N ATOM 341 CA ASN A 24 8.830 -9.409 4.714 1.00 0.00 C ATOM 342 C ASN A 24 9.831 -8.371 5.231 1.00 0.00 C ATOM 343 O ASN A 24 10.459 -8.582 6.265 1.00 0.00 O ATOM 344 CB ASN A 24 9.491 -10.283 3.643 1.00 0.00 C ATOM 345 CG ASN A 24 10.563 -11.176 4.251 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.385 -11.737 5.326 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.691 -11.313 3.562 1.00 0.00 N ATOM 0 H ASN A 24 7.568 -8.853 3.132 1.00 0.00 H new ATOM 0 HA ASN A 24 8.519 -10.025 5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.736 -10.898 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.934 -9.650 2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.442 -11.900 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.806 -10.831 2.670 1.00 0.00 H new ATOM 354 N THR A 25 9.963 -7.260 4.496 1.00 0.00 N ATOM 355 CA THR A 25 10.826 -6.108 4.763 1.00 0.00 C ATOM 356 C THR A 25 12.305 -6.430 4.980 1.00 0.00 C ATOM 357 O THR A 25 13.108 -5.516 5.155 1.00 0.00 O ATOM 358 CB THR A 25 10.262 -5.226 5.886 1.00 0.00 C ATOM 359 OG1 THR A 25 10.239 -5.901 7.124 1.00 0.00 O ATOM 360 CG2 THR A 25 8.837 -4.806 5.541 1.00 0.00 C ATOM 0 H THR A 25 9.429 -7.136 3.636 1.00 0.00 H new ATOM 0 HA THR A 25 10.812 -5.539 3.833 1.00 0.00 H new ATOM 0 HB THR A 25 10.914 -4.357 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.467 -6.844 6.987 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.439 -4.180 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.839 -4.245 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.213 -5.693 5.430 1.00 0.00 H new ATOM 368 N LEU A 26 12.683 -7.710 4.964 1.00 0.00 N ATOM 369 CA LEU A 26 14.068 -8.132 5.070 1.00 0.00 C ATOM 370 C LEU A 26 14.749 -8.179 3.702 1.00 0.00 C ATOM 371 O LEU A 26 15.975 -8.143 3.630 1.00 0.00 O ATOM 372 CB LEU A 26 14.071 -9.523 5.698 1.00 0.00 C ATOM 373 CG LEU A 26 13.633 -9.479 7.162 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.391 -10.905 7.642 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.695 -8.815 8.033 1.00 0.00 C ATOM 0 H LEU A 26 12.025 -8.484 4.876 1.00 0.00 H new ATOM 0 HA LEU A 26 14.623 -7.419 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.404 -10.178 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.071 -9.952 5.629 1.00 0.00 H new ATOM 0 HG LEU A 26 12.718 -8.891 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.078 -10.889 8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.611 -11.365 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.311 -11.482 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.357 -8.797 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.626 -9.378 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.862 -7.794 7.689 1.00 0.00 H new ATOM 387 N VAL A 27 13.962 -8.261 2.626 1.00 0.00 N ATOM 388 CA VAL A 27 14.495 -8.339 1.265 1.00 0.00 C ATOM 389 C VAL A 27 13.999 -7.181 0.398 1.00 0.00 C ATOM 390 O VAL A 27 14.674 -6.805 -0.560 1.00 0.00 O ATOM 391 CB VAL A 27 14.117 -9.693 0.654 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.663 -9.835 -0.769 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.686 -10.836 1.496 1.00 0.00 C ATOM 0 H VAL A 27 12.943 -8.275 2.674 1.00 0.00 H new ATOM 0 HA VAL A 27 15.581 -8.254 1.306 1.00 0.00 H new ATOM 0 HB VAL A 27 13.028 -9.741 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.377 -10.806 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.251 -9.045 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.750 -9.755 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.409 -11.790 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.772 -10.755 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.283 -10.779 2.507 1.00 0.00 H new ATOM 403 N VAL A 28 12.834 -6.609 0.719 1.00 0.00 N ATOM 404 CA VAL A 28 12.286 -5.487 -0.037 1.00 0.00 C ATOM 405 C VAL A 28 12.550 -4.175 0.694 1.00 0.00 C ATOM 406 O VAL A 28 12.557 -4.142 1.924 1.00 0.00 O ATOM 407 CB VAL A 28 10.789 -5.701 -0.293 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.201 -4.562 -1.124 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.571 -7.005 -1.061 1.00 0.00 C ATOM 0 H VAL A 28 12.253 -6.909 1.502 1.00 0.00 H new ATOM 0 HA VAL A 28 12.784 -5.431 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 28 10.294 -5.737 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.139 -4.742 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.331 -3.619 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.713 -4.510 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.505 -7.149 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.095 -6.957 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.958 -7.840 -0.477 1.00 0.00 H new ATOM 419 N LYS A 29 12.772 -3.100 -0.068 1.00 0.00 N ATOM 420 CA LYS A 29 13.066 -1.778 0.473 1.00 0.00 C ATOM 421 C LYS A 29 12.251 -0.719 -0.258 1.00 0.00 C ATOM 422 O LYS A 29 11.592 -0.998 -1.257 1.00 0.00 O ATOM 423 CB LYS A 29 14.565 -1.461 0.353 1.00 0.00 C ATOM 424 CG LYS A 29 15.473 -2.482 1.044 1.00 0.00 C ATOM 425 CD LYS A 29 15.894 -3.597 0.086 1.00 0.00 C ATOM 426 CE LYS A 29 16.808 -4.584 0.810 1.00 0.00 C ATOM 427 NZ LYS A 29 17.251 -5.660 -0.101 1.00 0.00 N ATOM 0 H LYS A 29 12.752 -3.128 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 29 12.795 -1.772 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.832 -1.408 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.753 -0.475 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.359 -1.979 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.953 -2.913 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.013 -4.114 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.411 -3.173 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.676 -4.058 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.281 -5.016 1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.924 -6.279 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.428 -6.217 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.714 -5.242 -0.933 1.00 0.00 H new ATOM 441 N LYS A 30 12.301 0.514 0.249 1.00 0.00 N ATOM 442 CA LYS A 30 11.608 1.664 -0.326 1.00 0.00 C ATOM 443 C LYS A 30 12.151 2.022 -1.711 1.00 0.00 C ATOM 444 O LYS A 30 11.579 2.866 -2.395 1.00 0.00 O ATOM 445 CB LYS A 30 11.719 2.829 0.655 1.00 0.00 C ATOM 446 CG LYS A 30 13.181 3.150 0.980 1.00 0.00 C ATOM 447 CD LYS A 30 13.284 3.645 2.421 1.00 0.00 C ATOM 448 CE LYS A 30 12.539 4.965 2.629 1.00 0.00 C ATOM 449 NZ LYS A 30 13.141 6.058 1.841 1.00 0.00 N ATOM 0 H LYS A 30 12.835 0.744 1.087 1.00 0.00 H new ATOM 0 HA LYS A 30 10.557 1.420 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.237 3.710 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.186 2.585 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.799 2.262 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.559 3.909 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.878 2.890 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.333 3.776 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.494 4.843 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.552 5.228 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.749 6.969 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.172 6.059 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.927 5.918 0.833 1.00 0.00 H new ATOM 463 N SER A 31 13.250 1.379 -2.118 1.00 0.00 N ATOM 464 CA SER A 31 13.831 1.550 -3.443 1.00 0.00 C ATOM 465 C SER A 31 13.372 0.439 -4.387 1.00 0.00 C ATOM 466 O SER A 31 13.738 0.429 -5.561 1.00 0.00 O ATOM 467 CB SER A 31 15.357 1.574 -3.337 1.00 0.00 C ATOM 468 OG SER A 31 15.763 2.600 -2.452 1.00 0.00 O ATOM 0 H SER A 31 13.761 0.722 -1.529 1.00 0.00 H new ATOM 0 HA SER A 31 13.489 2.499 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.721 0.610 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.796 1.736 -4.321 1.00 0.00 H new ATOM 0 HG SER A 31 16.741 2.608 -2.388 1.00 0.00 H new ATOM 474 N ASP A 32 12.565 -0.496 -3.875 1.00 0.00 N ATOM 475 CA ASP A 32 12.033 -1.613 -4.639 1.00 0.00 C ATOM 476 C ASP A 32 10.516 -1.493 -4.765 1.00 0.00 C ATOM 477 O ASP A 32 9.946 -1.869 -5.788 1.00 0.00 O ATOM 478 CB ASP A 32 12.408 -2.899 -3.905 1.00 0.00 C ATOM 479 CG ASP A 32 13.898 -3.200 -4.032 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.315 -3.607 -5.140 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.604 -3.021 -3.014 1.00 0.00 O ATOM 0 H ASP A 32 12.262 -0.492 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 32 12.450 -1.618 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.142 -2.809 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.832 -3.731 -4.309 1.00 0.00 H new ATOM 486 N VAL A 33 9.853 -0.969 -3.731 1.00 0.00 N ATOM 487 CA VAL A 33 8.413 -0.769 -3.764 1.00 0.00 C ATOM 488 C VAL A 33 8.064 0.220 -4.873 1.00 0.00 C ATOM 489 O VAL A 33 7.006 0.113 -5.492 1.00 0.00 O ATOM 490 CB VAL A 33 7.952 -0.258 -2.397 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.476 0.116 -2.412 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.148 -1.343 -1.341 1.00 0.00 C ATOM 0 H VAL A 33 10.298 -0.677 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 33 7.901 -1.708 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 33 8.548 0.624 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.182 0.475 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.307 0.901 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.881 -0.760 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.817 -0.971 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.564 -2.223 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.203 -1.611 -1.286 1.00 0.00 H new ATOM 502 N GLU A 34 8.947 1.188 -5.134 1.00 0.00 N ATOM 503 CA GLU A 34 8.748 2.171 -6.193 1.00 0.00 C ATOM 504 C GLU A 34 9.088 1.606 -7.573 1.00 0.00 C ATOM 505 O GLU A 34 9.113 2.348 -8.553 1.00 0.00 O ATOM 506 CB GLU A 34 9.535 3.451 -5.888 1.00 0.00 C ATOM 507 CG GLU A 34 11.046 3.210 -5.888 1.00 0.00 C ATOM 508 CD GLU A 34 11.833 4.500 -5.649 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.200 5.571 -5.507 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.081 4.409 -5.615 1.00 0.00 O ATOM 0 H GLU A 34 9.817 1.309 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 34 7.688 2.424 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.290 4.212 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.230 3.841 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.297 2.484 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.344 2.775 -6.842 1.00 0.00 H new ATOM 517 N ALA A 35 9.352 0.299 -7.656 1.00 0.00 N ATOM 518 CA ALA A 35 9.627 -0.381 -8.913 1.00 0.00 C ATOM 519 C ALA A 35 8.723 -1.602 -9.094 1.00 0.00 C ATOM 520 O ALA A 35 8.731 -2.226 -10.156 1.00 0.00 O ATOM 521 CB ALA A 35 11.102 -0.780 -8.944 1.00 0.00 C ATOM 0 H ALA A 35 9.380 -0.317 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 35 9.415 0.295 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.321 -1.291 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.722 0.113 -8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.316 -1.447 -8.109 1.00 0.00 H new ATOM 527 N ILE A 36 7.940 -1.948 -8.066 1.00 0.00 N ATOM 528 CA ILE A 36 7.011 -3.069 -8.111 1.00 0.00 C ATOM 529 C ILE A 36 5.565 -2.574 -8.106 1.00 0.00 C ATOM 530 O ILE A 36 4.682 -3.240 -8.637 1.00 0.00 O ATOM 531 CB ILE A 36 7.285 -3.985 -6.909 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.712 -4.539 -7.002 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.272 -5.134 -6.863 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.163 -5.136 -5.665 1.00 0.00 C ATOM 0 H ILE A 36 7.938 -1.451 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 36 7.158 -3.630 -9.034 1.00 0.00 H new ATOM 0 HB ILE A 36 7.182 -3.405 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.759 -5.303 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.396 -3.743 -7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.483 -5.771 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.265 -4.728 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.347 -5.722 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.178 -5.521 -5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.139 -4.364 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.493 -5.948 -5.385 1.00 0.00 H new ATOM 546 N PHE A 37 5.321 -1.404 -7.512 1.00 0.00 N ATOM 547 CA PHE A 37 3.988 -0.823 -7.441 1.00 0.00 C ATOM 548 C PHE A 37 3.834 0.307 -8.459 1.00 0.00 C ATOM 549 O PHE A 37 2.730 0.814 -8.658 1.00 0.00 O ATOM 550 CB PHE A 37 3.726 -0.355 -6.009 1.00 0.00 C ATOM 551 CG PHE A 37 3.521 -1.487 -5.026 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.626 -2.168 -4.502 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.224 -1.853 -4.639 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.436 -3.224 -3.600 1.00 0.00 C ATOM 555 CE2 PHE A 37 2.032 -2.907 -3.733 1.00 0.00 C ATOM 556 CZ PHE A 37 3.141 -3.590 -3.216 1.00 0.00 C ATOM 0 H PHE A 37 6.044 -0.837 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 37 3.241 -1.573 -7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.566 0.255 -5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.844 0.285 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.625 -1.880 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.372 -1.323 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.288 -3.755 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.033 -3.191 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.996 -4.402 -2.519 1.00 0.00 H new ATOM 566 N SER A 38 4.931 0.708 -9.106 1.00 0.00 N ATOM 567 CA SER A 38 4.910 1.789 -10.083 1.00 0.00 C ATOM 568 C SER A 38 4.239 1.361 -11.384 1.00 0.00 C ATOM 569 O SER A 38 3.887 2.200 -12.214 1.00 0.00 O ATOM 570 CB SER A 38 6.341 2.236 -10.356 1.00 0.00 C ATOM 571 OG SER A 38 7.110 1.137 -10.795 1.00 0.00 O ATOM 0 H SER A 38 5.852 0.292 -8.966 1.00 0.00 H new ATOM 0 HA SER A 38 4.328 2.615 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.348 3.022 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.778 2.659 -9.452 1.00 0.00 H new ATOM 0 HG SER A 38 8.029 1.430 -10.971 1.00 0.00 H new ATOM 577 N LYS A 39 4.057 0.049 -11.565 1.00 0.00 N ATOM 578 CA LYS A 39 3.415 -0.519 -12.744 1.00 0.00 C ATOM 579 C LYS A 39 1.891 -0.504 -12.638 1.00 0.00 C ATOM 580 O LYS A 39 1.209 -0.778 -13.624 1.00 0.00 O ATOM 581 CB LYS A 39 3.960 -1.930 -12.951 1.00 0.00 C ATOM 582 CG LYS A 39 3.529 -2.833 -11.795 1.00 0.00 C ATOM 583 CD LYS A 39 4.420 -4.073 -11.733 1.00 0.00 C ATOM 584 CE LYS A 39 4.322 -4.913 -13.007 1.00 0.00 C ATOM 585 NZ LYS A 39 2.968 -5.465 -13.184 1.00 0.00 N ATOM 0 H LYS A 39 4.356 -0.652 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 39 3.649 0.095 -13.613 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.595 -2.335 -13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.048 -1.903 -13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.589 -2.286 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.488 -3.130 -11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.455 -3.768 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.135 -4.682 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.582 -4.300 -13.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.046 -5.727 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.034 -6.435 -13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.475 -5.476 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.438 -4.875 -13.856 1.00 0.00 H new ATOM 599 N TYR A 40 1.352 -0.185 -11.457 1.00 0.00 N ATOM 600 CA TYR A 40 -0.091 -0.091 -11.254 1.00 0.00 C ATOM 601 C TYR A 40 -0.537 1.363 -11.122 1.00 0.00 C ATOM 602 O TYR A 40 -1.728 1.657 -11.217 1.00 0.00 O ATOM 603 CB TYR A 40 -0.486 -0.908 -10.027 1.00 0.00 C ATOM 604 CG TYR A 40 -0.069 -2.353 -10.153 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.817 -3.232 -10.953 1.00 0.00 C ATOM 606 CD2 TYR A 40 1.074 -2.812 -9.483 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.407 -4.563 -11.103 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.492 -4.140 -9.638 1.00 0.00 C ATOM 609 CZ TYR A 40 0.755 -5.018 -10.457 1.00 0.00 C ATOM 610 OH TYR A 40 1.172 -6.305 -10.626 1.00 0.00 O ATOM 0 H TYR A 40 1.903 0.014 -10.622 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.599 -0.501 -12.127 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.027 -0.474 -9.139 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.566 -0.853 -9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.708 -2.882 -11.453 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.633 -2.141 -8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.984 -5.240 -11.715 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.378 -4.490 -9.130 1.00 0.00 H new ATOM 0 HH TYR A 40 0.724 -6.882 -9.973 1.00 0.00 H new ATOM 620 N GLY A 41 0.415 2.272 -10.906 1.00 0.00 N ATOM 621 CA GLY A 41 0.120 3.696 -10.870 1.00 0.00 C ATOM 622 C GLY A 41 1.379 4.527 -10.664 1.00 0.00 C ATOM 623 O GLY A 41 2.411 4.014 -10.230 1.00 0.00 O ATOM 0 H GLY A 41 1.397 2.042 -10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.363 3.991 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.587 3.901 -10.066 1.00 0.00 H new ATOM 627 N LYS A 42 1.289 5.822 -10.978 1.00 0.00 N ATOM 628 CA LYS A 42 2.388 6.754 -10.800 1.00 0.00 C ATOM 629 C LYS A 42 2.550 7.051 -9.315 1.00 0.00 C ATOM 630 O LYS A 42 1.667 7.645 -8.696 1.00 0.00 O ATOM 631 CB LYS A 42 2.090 8.020 -11.607 1.00 0.00 C ATOM 632 CG LYS A 42 3.081 9.138 -11.288 1.00 0.00 C ATOM 633 CD LYS A 42 2.797 10.339 -12.189 1.00 0.00 C ATOM 634 CE LYS A 42 3.581 11.543 -11.675 1.00 0.00 C ATOM 635 NZ LYS A 42 3.394 12.723 -12.543 1.00 0.00 N ATOM 0 H LYS A 42 0.446 6.248 -11.364 1.00 0.00 H new ATOM 0 HA LYS A 42 3.326 6.332 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.130 7.791 -12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.077 8.359 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.996 9.427 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.102 8.788 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.083 10.115 -13.217 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.730 10.560 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.260 11.782 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.641 11.293 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.941 13.523 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.724 12.503 -13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.386 12.976 -12.572 1.00 0.00 H new ATOM 649 N ILE A 43 3.678 6.631 -8.745 1.00 0.00 N ATOM 650 CA ILE A 43 3.955 6.814 -7.329 1.00 0.00 C ATOM 651 C ILE A 43 4.518 8.211 -7.095 1.00 0.00 C ATOM 652 O ILE A 43 5.445 8.633 -7.784 1.00 0.00 O ATOM 653 CB ILE A 43 4.901 5.706 -6.848 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.187 4.356 -6.990 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.306 5.915 -5.388 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.075 3.180 -6.598 1.00 0.00 C ATOM 0 H ILE A 43 4.422 6.155 -9.255 1.00 0.00 H new ATOM 0 HA ILE A 43 3.038 6.735 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 43 5.806 5.730 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.293 4.355 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.857 4.230 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.976 5.113 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.815 6.873 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.416 5.907 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.520 2.249 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.957 3.161 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.383 3.288 -5.558 1.00 0.00 H new ATOM 668 N VAL A 44 3.949 8.923 -6.119 1.00 0.00 N ATOM 669 CA VAL A 44 4.381 10.267 -5.754 1.00 0.00 C ATOM 670 C VAL A 44 5.072 10.258 -4.393 1.00 0.00 C ATOM 671 O VAL A 44 5.646 11.261 -3.975 1.00 0.00 O ATOM 672 CB VAL A 44 3.190 11.236 -5.763 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.570 11.298 -7.159 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.114 10.811 -4.764 1.00 0.00 C ATOM 0 H VAL A 44 3.170 8.577 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 44 5.103 10.612 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 44 3.567 12.218 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.727 11.988 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.317 11.644 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.224 10.306 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.286 11.519 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.751 9.816 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.537 10.794 -3.759 1.00 0.00 H new ATOM 684 N GLY A 45 5.018 9.119 -3.697 1.00 0.00 N ATOM 685 CA GLY A 45 5.661 8.940 -2.408 1.00 0.00 C ATOM 686 C GLY A 45 5.639 7.466 -2.021 1.00 0.00 C ATOM 687 O GLY A 45 4.707 6.743 -2.365 1.00 0.00 O ATOM 0 H GLY A 45 4.519 8.291 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.689 9.299 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.148 9.532 -1.650 1.00 0.00 H new ATOM 691 N CYS A 46 6.667 7.016 -1.304 1.00 0.00 N ATOM 692 CA CYS A 46 6.764 5.636 -0.867 1.00 0.00 C ATOM 693 C CYS A 46 7.558 5.548 0.432 1.00 0.00 C ATOM 694 O CYS A 46 8.395 6.403 0.719 1.00 0.00 O ATOM 695 CB CYS A 46 7.422 4.798 -1.969 1.00 0.00 C ATOM 696 SG CYS A 46 9.160 5.267 -2.144 1.00 0.00 S ATOM 0 H CYS A 46 7.451 7.600 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 46 5.765 5.244 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.345 3.738 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.899 4.948 -2.913 1.00 0.00 H new ATOM 0 HG CYS A 46 9.893 4.196 -2.219 1.00 0.00 H new ATOM 702 N SER A 47 7.295 4.510 1.224 1.00 0.00 N ATOM 703 CA SER A 47 8.040 4.270 2.447 1.00 0.00 C ATOM 704 C SER A 47 7.946 2.801 2.834 1.00 0.00 C ATOM 705 O SER A 47 6.946 2.141 2.563 1.00 0.00 O ATOM 706 CB SER A 47 7.505 5.161 3.571 1.00 0.00 C ATOM 707 OG SER A 47 6.159 4.849 3.852 1.00 0.00 O ATOM 0 H SER A 47 6.567 3.822 1.034 1.00 0.00 H new ATOM 0 HA SER A 47 9.089 4.517 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.110 5.027 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.589 6.209 3.283 1.00 0.00 H new ATOM 0 HG SER A 47 5.628 5.672 3.862 1.00 0.00 H new ATOM 713 N VAL A 48 8.996 2.287 3.476 1.00 0.00 N ATOM 714 CA VAL A 48 9.008 0.934 4.009 1.00 0.00 C ATOM 715 C VAL A 48 9.359 0.987 5.488 1.00 0.00 C ATOM 716 O VAL A 48 10.141 1.826 5.931 1.00 0.00 O ATOM 717 CB VAL A 48 9.978 0.047 3.226 1.00 0.00 C ATOM 718 CG1 VAL A 48 10.046 -1.363 3.809 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.502 -0.059 1.781 1.00 0.00 C ATOM 0 H VAL A 48 9.861 2.802 3.639 1.00 0.00 H new ATOM 0 HA VAL A 48 8.019 0.489 3.900 1.00 0.00 H new ATOM 0 HB VAL A 48 10.968 0.500 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.745 -1.964 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.385 -1.313 4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.057 -1.820 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.189 -0.690 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.504 -0.498 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.472 0.935 1.334 1.00 0.00 H new ATOM 729 N HIS A 49 8.758 0.074 6.249 1.00 0.00 N ATOM 730 CA HIS A 49 8.898 0.008 7.692 1.00 0.00 C ATOM 731 C HIS A 49 9.167 -1.440 8.082 1.00 0.00 C ATOM 732 O HIS A 49 9.527 -2.250 7.226 1.00 0.00 O ATOM 733 CB HIS A 49 7.610 0.540 8.328 1.00 0.00 C ATOM 734 CG HIS A 49 7.223 1.907 7.832 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.458 3.111 8.502 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.583 2.169 6.653 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.952 4.068 7.704 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.424 3.531 6.591 1.00 0.00 N ATOM 0 H HIS A 49 8.150 -0.651 5.868 1.00 0.00 H new ATOM 0 HA HIS A 49 9.730 0.618 8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.797 -0.157 8.124 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.735 0.575 9.410 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.265 1.447 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.968 5.125 7.927 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.981 4.047 5.831 1.00 0.00 H new ATOM 746 N LYS A 50 9.000 -1.782 9.360 1.00 0.00 N ATOM 747 CA LYS A 50 9.176 -3.157 9.800 1.00 0.00 C ATOM 748 C LYS A 50 7.849 -3.901 9.705 1.00 0.00 C ATOM 749 O LYS A 50 6.892 -3.569 10.403 1.00 0.00 O ATOM 750 CB LYS A 50 9.733 -3.180 11.226 1.00 0.00 C ATOM 751 CG LYS A 50 11.091 -2.477 11.287 1.00 0.00 C ATOM 752 CD LYS A 50 11.634 -2.522 12.712 1.00 0.00 C ATOM 753 CE LYS A 50 12.963 -1.766 12.776 1.00 0.00 C ATOM 754 NZ LYS A 50 13.514 -1.771 14.145 1.00 0.00 N ATOM 0 H LYS A 50 8.745 -1.128 10.100 1.00 0.00 H new ATOM 0 HA LYS A 50 9.893 -3.662 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.033 -2.690 11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.836 -4.211 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.792 -2.960 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.990 -1.442 10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.916 -2.076 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.776 -3.556 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.678 -2.223 12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.816 -0.738 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.415 -1.251 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.841 -1.313 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.675 -2.752 14.451 1.00 0.00 H new ATOM 768 N GLY A 51 7.794 -4.913 8.835 1.00 0.00 N ATOM 769 CA GLY A 51 6.611 -5.737 8.647 1.00 0.00 C ATOM 770 C GLY A 51 5.558 -5.108 7.734 1.00 0.00 C ATOM 771 O GLY A 51 4.592 -5.777 7.375 1.00 0.00 O ATOM 0 H GLY A 51 8.578 -5.180 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.912 -6.698 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.162 -5.938 9.619 1.00 0.00 H new ATOM 775 N PHE A 52 5.718 -3.836 7.347 1.00 0.00 N ATOM 776 CA PHE A 52 4.772 -3.176 6.452 1.00 0.00 C ATOM 777 C PHE A 52 5.446 -2.086 5.619 1.00 0.00 C ATOM 778 O PHE A 52 6.595 -1.718 5.858 1.00 0.00 O ATOM 779 CB PHE A 52 3.609 -2.571 7.248 1.00 0.00 C ATOM 780 CG PHE A 52 4.008 -1.477 8.206 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.460 -1.799 9.491 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.922 -0.135 7.807 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.837 -0.783 10.378 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.302 0.882 8.692 1.00 0.00 C ATOM 785 CZ PHE A 52 4.761 0.560 9.977 1.00 0.00 C ATOM 0 H PHE A 52 6.496 -3.247 7.643 1.00 0.00 H new ATOM 0 HA PHE A 52 4.389 -3.936 5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.874 -2.173 6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.117 -3.366 7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.518 -2.833 9.799 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.563 0.114 6.819 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.186 -1.032 11.369 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.241 1.915 8.384 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.056 1.345 10.658 1.00 0.00 H new ATOM 795 N ALA A 53 4.713 -1.571 4.628 1.00 0.00 N ATOM 796 CA ALA A 53 5.155 -0.477 3.779 1.00 0.00 C ATOM 797 C ALA A 53 3.947 0.353 3.331 1.00 0.00 C ATOM 798 O ALA A 53 2.803 -0.034 3.568 1.00 0.00 O ATOM 799 CB ALA A 53 5.899 -1.047 2.571 1.00 0.00 C ATOM 0 H ALA A 53 3.781 -1.913 4.395 1.00 0.00 H new ATOM 0 HA ALA A 53 5.830 0.174 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.233 -0.230 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.763 -1.617 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.232 -1.700 2.008 1.00 0.00 H new ATOM 805 N PHE A 54 4.207 1.491 2.688 1.00 0.00 N ATOM 806 CA PHE A 54 3.172 2.384 2.188 1.00 0.00 C ATOM 807 C PHE A 54 3.566 2.932 0.818 1.00 0.00 C ATOM 808 O PHE A 54 4.750 3.122 0.531 1.00 0.00 O ATOM 809 CB PHE A 54 2.946 3.528 3.179 1.00 0.00 C ATOM 810 CG PHE A 54 1.945 3.214 4.265 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.575 3.222 3.958 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.366 2.928 5.572 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.369 2.952 4.955 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.419 2.651 6.568 1.00 0.00 C ATOM 815 CZ PHE A 54 0.053 2.672 6.260 1.00 0.00 C ATOM 0 H PHE A 54 5.154 1.819 2.499 1.00 0.00 H new ATOM 0 HA PHE A 54 2.242 1.826 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.898 3.787 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.608 4.408 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.249 3.437 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.419 2.921 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.423 2.960 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.743 2.422 7.572 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.676 2.472 7.031 1.00 0.00 H new ATOM 825 N VAL A 55 2.560 3.186 -0.023 1.00 0.00 N ATOM 826 CA VAL A 55 2.742 3.743 -1.359 1.00 0.00 C ATOM 827 C VAL A 55 1.671 4.791 -1.608 1.00 0.00 C ATOM 828 O VAL A 55 0.511 4.585 -1.263 1.00 0.00 O ATOM 829 CB VAL A 55 2.658 2.640 -2.418 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.760 3.224 -3.826 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.804 1.657 -2.238 1.00 0.00 C ATOM 0 H VAL A 55 1.584 3.007 0.212 1.00 0.00 H new ATOM 0 HA VAL A 55 3.728 4.202 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 55 1.697 2.140 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.698 2.420 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.943 3.927 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.712 3.743 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.736 0.876 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.753 2.182 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.745 1.207 -1.247 1.00 0.00 H new ATOM 841 N GLN A 56 2.058 5.916 -2.212 1.00 0.00 N ATOM 842 CA GLN A 56 1.163 7.031 -2.466 1.00 0.00 C ATOM 843 C GLN A 56 1.054 7.253 -3.972 1.00 0.00 C ATOM 844 O GLN A 56 2.070 7.320 -4.662 1.00 0.00 O ATOM 845 CB GLN A 56 1.733 8.261 -1.745 1.00 0.00 C ATOM 846 CG GLN A 56 0.791 9.464 -1.770 1.00 0.00 C ATOM 847 CD GLN A 56 -0.372 9.292 -0.802 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.180 9.216 0.407 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.590 9.227 -1.326 1.00 0.00 N ATOM 0 H GLN A 56 3.011 6.074 -2.539 1.00 0.00 H new ATOM 0 HA GLN A 56 0.159 6.835 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.950 7.999 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.680 8.539 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.347 10.366 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.406 9.603 -2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.715 9.294 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.401 9.111 -0.718 1.00 0.00 H new ATOM 858 N TYR A 57 -0.176 7.369 -4.480 1.00 0.00 N ATOM 859 CA TYR A 57 -0.427 7.589 -5.894 1.00 0.00 C ATOM 860 C TYR A 57 -1.006 8.979 -6.135 1.00 0.00 C ATOM 861 O TYR A 57 -1.267 9.728 -5.194 1.00 0.00 O ATOM 862 CB TYR A 57 -1.393 6.527 -6.421 1.00 0.00 C ATOM 863 CG TYR A 57 -0.831 5.128 -6.412 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.317 4.840 -7.166 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.454 4.120 -5.663 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.863 3.550 -7.158 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.910 2.831 -5.644 1.00 0.00 C ATOM 868 CZ TYR A 57 0.254 2.548 -6.383 1.00 0.00 C ATOM 869 OH TYR A 57 0.797 1.304 -6.343 1.00 0.00 O ATOM 0 H TYR A 57 -1.023 7.312 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 57 0.521 7.515 -6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.302 6.546 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.680 6.786 -7.440 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.782 5.617 -7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.351 4.338 -5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.744 3.327 -7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.383 2.054 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 57 1.305 1.142 -7.165 1.00 0.00 H new ATOM 879 N VAL A 58 -1.205 9.322 -7.413 1.00 0.00 N ATOM 880 CA VAL A 58 -1.767 10.604 -7.802 1.00 0.00 C ATOM 881 C VAL A 58 -3.257 10.657 -7.466 1.00 0.00 C ATOM 882 O VAL A 58 -3.779 11.726 -7.160 1.00 0.00 O ATOM 883 CB VAL A 58 -1.531 10.817 -9.304 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.216 12.086 -9.804 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.034 10.935 -9.589 1.00 0.00 C ATOM 0 H VAL A 58 -0.979 8.714 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.277 11.404 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.952 9.956 -9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.028 12.205 -10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.290 12.012 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.821 12.948 -9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.122 11.086 -10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.375 11.782 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.469 10.021 -9.274 1.00 0.00 H new ATOM 895 N ASN A 59 -3.948 9.511 -7.516 1.00 0.00 N ATOM 896 CA ASN A 59 -5.359 9.465 -7.161 1.00 0.00 C ATOM 897 C ASN A 59 -5.789 8.069 -6.714 1.00 0.00 C ATOM 898 O ASN A 59 -5.039 7.106 -6.852 1.00 0.00 O ATOM 899 CB ASN A 59 -6.206 9.963 -8.333 1.00 0.00 C ATOM 900 CG ASN A 59 -6.587 8.871 -9.317 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.767 8.583 -9.480 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.608 8.256 -9.969 1.00 0.00 N ATOM 0 H ASN A 59 -3.551 8.614 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.518 10.126 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.115 10.423 -7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.656 10.741 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.826 7.514 -10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.638 8.525 -9.805 1.00 0.00 H new ATOM 909 N GLU A 60 -7.006 7.969 -6.174 1.00 0.00 N ATOM 910 CA GLU A 60 -7.556 6.723 -5.658 1.00 0.00 C ATOM 911 C GLU A 60 -7.620 5.633 -6.731 1.00 0.00 C ATOM 912 O GLU A 60 -7.480 4.459 -6.403 1.00 0.00 O ATOM 913 CB GLU A 60 -8.946 7.013 -5.089 1.00 0.00 C ATOM 914 CG GLU A 60 -9.583 5.757 -4.485 1.00 0.00 C ATOM 915 CD GLU A 60 -10.972 6.037 -3.913 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.194 7.166 -3.422 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.805 5.107 -3.974 1.00 0.00 O ATOM 0 H GLU A 60 -7.641 8.762 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.900 6.342 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.873 7.787 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.588 7.404 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.655 4.984 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.939 5.367 -3.697 1.00 0.00 H new ATOM 924 N ARG A 61 -7.822 5.988 -8.006 1.00 0.00 N ATOM 925 CA ARG A 61 -7.900 4.987 -9.067 1.00 0.00 C ATOM 926 C ARG A 61 -6.613 4.170 -9.114 1.00 0.00 C ATOM 927 O ARG A 61 -6.646 2.957 -9.313 1.00 0.00 O ATOM 928 CB ARG A 61 -8.143 5.691 -10.404 1.00 0.00 C ATOM 929 CG ARG A 61 -7.964 4.773 -11.616 1.00 0.00 C ATOM 930 CD ARG A 61 -8.813 3.510 -11.491 1.00 0.00 C ATOM 931 NE ARG A 61 -8.753 2.712 -12.720 1.00 0.00 N ATOM 932 CZ ARG A 61 -9.331 1.514 -12.866 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.026 0.973 -11.870 1.00 0.00 N ATOM 934 NH2 ARG A 61 -9.211 0.858 -14.013 1.00 0.00 N ATOM 0 H ARG A 61 -7.933 6.952 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.726 4.305 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.154 6.099 -10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.458 6.534 -10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.239 5.309 -12.524 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.914 4.499 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.462 2.914 -10.649 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.847 3.782 -11.280 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.238 3.094 -13.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.122 1.472 -10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.463 0.059 -11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.679 1.267 -14.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.651 -0.055 -14.127 1.00 0.00 H new ATOM 948 N ASN A 62 -5.469 4.829 -8.927 1.00 0.00 N ATOM 949 CA ASN A 62 -4.195 4.139 -8.964 1.00 0.00 C ATOM 950 C ASN A 62 -4.013 3.261 -7.728 1.00 0.00 C ATOM 951 O ASN A 62 -3.267 2.284 -7.769 1.00 0.00 O ATOM 952 CB ASN A 62 -3.083 5.176 -9.079 1.00 0.00 C ATOM 953 CG ASN A 62 -3.006 5.745 -10.484 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.095 6.954 -10.681 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.838 4.877 -11.477 1.00 0.00 N ATOM 0 H ASN A 62 -5.406 5.832 -8.750 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.160 3.477 -9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.259 5.982 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.129 4.720 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.779 5.209 -12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.768 3.879 -11.276 1.00 0.00 H new ATOM 962 N ALA A 63 -4.692 3.597 -6.628 1.00 0.00 N ATOM 963 CA ALA A 63 -4.627 2.807 -5.409 1.00 0.00 C ATOM 964 C ALA A 63 -5.484 1.552 -5.539 1.00 0.00 C ATOM 965 O ALA A 63 -5.114 0.496 -5.035 1.00 0.00 O ATOM 966 CB ALA A 63 -5.076 3.672 -4.234 1.00 0.00 C ATOM 0 H ALA A 63 -5.295 4.417 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.602 2.480 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.031 3.088 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.419 4.537 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.099 4.009 -4.400 1.00 0.00 H new ATOM 972 N ARG A 64 -6.632 1.660 -6.214 1.00 0.00 N ATOM 973 CA ARG A 64 -7.513 0.517 -6.437 1.00 0.00 C ATOM 974 C ARG A 64 -6.857 -0.476 -7.390 1.00 0.00 C ATOM 975 O ARG A 64 -7.166 -1.664 -7.346 1.00 0.00 O ATOM 976 CB ARG A 64 -8.841 0.991 -7.045 1.00 0.00 C ATOM 977 CG ARG A 64 -9.628 1.944 -6.142 1.00 0.00 C ATOM 978 CD ARG A 64 -10.132 1.278 -4.865 1.00 0.00 C ATOM 979 NE ARG A 64 -10.928 2.233 -4.085 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.505 1.976 -2.910 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.403 0.783 -2.333 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.193 2.936 -2.304 1.00 0.00 N ATOM 0 H ARG A 64 -6.972 2.534 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.699 0.031 -5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.639 1.488 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.460 0.121 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.995 2.791 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.478 2.342 -6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.736 0.405 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.289 0.924 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.050 3.169 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.874 0.039 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.853 0.611 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.275 3.856 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.640 2.754 -1.405 1.00 0.00 H new ATOM 996 N ALA A 65 -5.953 0.001 -8.249 1.00 0.00 N ATOM 997 CA ALA A 65 -5.286 -0.855 -9.217 1.00 0.00 C ATOM 998 C ALA A 65 -4.133 -1.614 -8.564 1.00 0.00 C ATOM 999 O ALA A 65 -3.860 -2.755 -8.936 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.803 0.010 -10.380 1.00 0.00 C ATOM 0 H ALA A 65 -5.669 0.980 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.983 -1.603 -9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.300 -0.617 -11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.656 0.503 -10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.108 0.763 -10.009 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.455 -1.005 -7.590 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.364 -1.665 -6.897 1.00 0.00 C ATOM 1008 C ALA A 66 -2.887 -2.606 -5.812 1.00 0.00 C ATOM 1009 O ALA A 66 -2.311 -3.665 -5.580 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.453 -0.597 -6.311 1.00 0.00 C ATOM 0 H ALA A 66 -3.647 -0.056 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.801 -2.280 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.625 -1.073 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.061 0.028 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.019 0.021 -5.613 1.00 0.00 H new ATOM 1016 N VAL A 67 -3.985 -2.232 -5.145 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.625 -3.096 -4.159 1.00 0.00 C ATOM 1018 C VAL A 67 -5.165 -4.348 -4.839 1.00 0.00 C ATOM 1019 O VAL A 67 -5.163 -5.421 -4.241 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.753 -2.328 -3.462 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.637 -3.259 -2.630 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.158 -1.277 -2.521 1.00 0.00 C ATOM 0 H VAL A 67 -4.447 -1.332 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.894 -3.401 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.357 -1.860 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.426 -2.679 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.084 -4.013 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.032 -3.749 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.963 -0.733 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.539 -1.769 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.547 -0.580 -3.094 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.624 -4.230 -6.087 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.126 -5.377 -6.828 1.00 0.00 C ATOM 1034 C ALA A 68 -5.032 -6.049 -7.657 1.00 0.00 C ATOM 1035 O ALA A 68 -5.255 -7.126 -8.205 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.295 -4.932 -7.703 1.00 0.00 C ATOM 0 H ALA A 68 -5.656 -3.350 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.472 -6.127 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.677 -5.786 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.087 -4.527 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.957 -4.165 -8.399 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.851 -5.427 -7.756 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.758 -5.950 -8.563 1.00 0.00 C ATOM 1044 C GLY A 69 -1.632 -6.595 -7.752 1.00 0.00 C ATOM 1045 O GLY A 69 -0.777 -7.262 -8.334 1.00 0.00 O ATOM 0 H GLY A 69 -3.633 -4.552 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.156 -6.687 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.342 -5.139 -9.160 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.612 -6.414 -6.426 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.512 -6.899 -5.595 1.00 0.00 C ATOM 1051 C GLU A 70 -1.001 -7.592 -4.322 1.00 0.00 C ATOM 1052 O GLU A 70 -0.249 -8.354 -3.718 1.00 0.00 O ATOM 1053 CB GLU A 70 0.381 -5.711 -5.219 1.00 0.00 C ATOM 1054 CG GLU A 70 1.260 -5.265 -6.390 1.00 0.00 C ATOM 1055 CD GLU A 70 2.418 -6.235 -6.594 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.336 -6.221 -5.743 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.393 -6.991 -7.590 1.00 0.00 O ATOM 0 H GLU A 70 -2.348 -5.934 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 70 0.043 -7.639 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.242 -4.877 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.013 -5.985 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.662 -5.209 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.647 -4.264 -6.200 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.240 -7.355 -3.894 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.746 -8.017 -2.697 1.00 0.00 C ATOM 1066 C ASP A 71 -2.770 -9.533 -2.909 1.00 0.00 C ATOM 1067 O ASP A 71 -3.485 -10.029 -3.784 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.143 -7.486 -2.379 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.713 -8.129 -1.116 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -3.913 -8.416 -0.200 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.947 -8.330 -1.071 1.00 0.00 O ATOM 0 H ASP A 71 -2.899 -6.723 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.090 -7.805 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.102 -6.404 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.808 -7.682 -3.220 1.00 0.00 H new ATOM 1076 N GLY A 72 -1.993 -10.271 -2.110 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.934 -11.718 -2.215 1.00 0.00 C ATOM 1078 C GLY A 72 -0.880 -12.152 -3.225 1.00 0.00 C ATOM 1079 O GLY A 72 -0.821 -13.325 -3.588 1.00 0.00 O ATOM 0 H GLY A 72 -1.396 -9.880 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.706 -12.147 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.909 -12.104 -2.513 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.046 -11.210 -3.681 1.00 0.00 N ATOM 1084 CA ARG A 73 1.104 -11.529 -4.503 1.00 0.00 C ATOM 1085 C ARG A 73 2.158 -12.091 -3.560 1.00 0.00 C ATOM 1086 O ARG A 73 2.000 -12.005 -2.343 1.00 0.00 O ATOM 1087 CB ARG A 73 1.584 -10.293 -5.261 1.00 0.00 C ATOM 1088 CG ARG A 73 2.357 -9.337 -4.356 1.00 0.00 C ATOM 1089 CD ARG A 73 3.857 -9.427 -4.643 1.00 0.00 C ATOM 1090 NE ARG A 73 4.149 -8.892 -5.979 1.00 0.00 N ATOM 1091 CZ ARG A 73 5.029 -9.383 -6.855 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.768 -10.455 -6.577 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.172 -8.789 -8.033 1.00 0.00 N ATOM 0 H ARG A 73 -0.157 -10.215 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 73 0.867 -12.264 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.219 -10.600 -6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.727 -9.774 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.011 -8.316 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.165 -9.580 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.413 -8.869 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.186 -10.464 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 73 3.628 -8.063 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.669 -10.923 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.433 -10.809 -7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.613 -7.967 -8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.841 -9.155 -8.711 1.00 0.00 H new ATOM 1107 N MET A 74 3.231 -12.663 -4.098 1.00 0.00 N ATOM 1108 CA MET A 74 4.242 -13.285 -3.262 1.00 0.00 C ATOM 1109 C MET A 74 5.539 -12.507 -3.383 1.00 0.00 C ATOM 1110 O MET A 74 6.067 -12.346 -4.482 1.00 0.00 O ATOM 1111 CB MET A 74 4.383 -14.751 -3.654 1.00 0.00 C ATOM 1112 CG MET A 74 5.256 -15.488 -2.640 1.00 0.00 C ATOM 1113 SD MET A 74 5.022 -17.283 -2.650 1.00 0.00 S ATOM 1114 CE MET A 74 3.354 -17.348 -1.940 1.00 0.00 C ATOM 0 H MET A 74 3.418 -12.707 -5.100 1.00 0.00 H new ATOM 0 HA MET A 74 3.953 -13.261 -2.211 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.399 -15.217 -3.704 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.824 -14.828 -4.648 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.303 -15.266 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.039 -15.107 -1.642 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.960 -18.361 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.395 -17.065 -0.888 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.703 -16.658 -2.477 1.00 0.00 H new ATOM 1124 N ILE A 75 6.047 -12.025 -2.250 1.00 0.00 N ATOM 1125 CA ILE A 75 7.289 -11.275 -2.214 1.00 0.00 C ATOM 1126 C ILE A 75 8.199 -11.851 -1.140 1.00 0.00 C ATOM 1127 O ILE A 75 7.757 -12.155 -0.034 1.00 0.00 O ATOM 1128 CB ILE A 75 6.973 -9.784 -2.031 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.237 -9.091 -3.374 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.775 -9.155 -0.892 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.903 -7.594 -3.357 1.00 0.00 C ATOM 0 H ILE A 75 5.607 -12.146 -1.338 1.00 0.00 H new ATOM 0 HA ILE A 75 7.833 -11.364 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 75 5.929 -9.659 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.286 -9.220 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.647 -9.580 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.515 -8.100 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.542 -9.666 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.840 -9.250 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.112 -7.163 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.848 -7.459 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.512 -7.094 -2.604 1.00 0.00 H new ATOM 1143 N ALA A 76 9.483 -12.002 -1.474 1.00 0.00 N ATOM 1144 CA ALA A 76 10.461 -12.658 -0.616 1.00 0.00 C ATOM 1145 C ALA A 76 10.011 -14.064 -0.200 1.00 0.00 C ATOM 1146 O ALA A 76 10.526 -14.619 0.768 1.00 0.00 O ATOM 1147 CB ALA A 76 10.785 -11.771 0.581 1.00 0.00 C ATOM 0 H ALA A 76 9.872 -11.668 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 76 11.379 -12.799 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.517 -12.270 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.194 -10.823 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.876 -11.585 1.152 1.00 0.00 H new ATOM 1153 N GLY A 77 9.050 -14.640 -0.930 1.00 0.00 N ATOM 1154 CA GLY A 77 8.520 -15.961 -0.639 1.00 0.00 C ATOM 1155 C GLY A 77 7.348 -15.902 0.338 1.00 0.00 C ATOM 1156 O GLY A 77 6.840 -16.946 0.746 1.00 0.00 O ATOM 0 H GLY A 77 8.621 -14.195 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.196 -16.435 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.310 -16.585 -0.221 1.00 0.00 H new ATOM 1160 N GLN A 78 6.910 -14.699 0.720 1.00 0.00 N ATOM 1161 CA GLN A 78 5.817 -14.513 1.657 1.00 0.00 C ATOM 1162 C GLN A 78 4.727 -13.638 1.037 1.00 0.00 C ATOM 1163 O GLN A 78 5.007 -12.577 0.484 1.00 0.00 O ATOM 1164 CB GLN A 78 6.423 -13.942 2.942 1.00 0.00 C ATOM 1165 CG GLN A 78 5.376 -13.507 3.964 1.00 0.00 C ATOM 1166 CD GLN A 78 5.515 -12.015 4.228 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.743 -11.587 5.357 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.381 -11.211 3.179 1.00 0.00 N ATOM 0 H GLN A 78 7.312 -13.825 0.381 1.00 0.00 H new ATOM 0 HA GLN A 78 5.317 -15.451 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.071 -14.693 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.051 -13.088 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.376 -13.730 3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.504 -14.065 4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.192 -11.603 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.467 -10.201 3.296 1.00 0.00 H new ATOM 1177 N VAL A 79 3.473 -14.090 1.131 1.00 0.00 N ATOM 1178 CA VAL A 79 2.307 -13.405 0.583 1.00 0.00 C ATOM 1179 C VAL A 79 2.120 -12.054 1.263 1.00 0.00 C ATOM 1180 O VAL A 79 2.307 -11.939 2.471 1.00 0.00 O ATOM 1181 CB VAL A 79 1.066 -14.276 0.792 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.163 -13.622 0.171 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.243 -15.641 0.130 1.00 0.00 C ATOM 0 H VAL A 79 3.239 -14.964 1.602 1.00 0.00 H new ATOM 0 HA VAL A 79 2.457 -13.236 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 79 0.933 -14.391 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.034 -14.258 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.332 -12.651 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.003 -13.489 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.349 -16.243 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.403 -15.508 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.104 -16.147 0.565 1.00 0.00 H new ATOM 1193 N LEU A 80 1.748 -11.032 0.486 1.00 0.00 N ATOM 1194 CA LEU A 80 1.477 -9.710 1.030 1.00 0.00 C ATOM 1195 C LEU A 80 -0.007 -9.526 1.316 1.00 0.00 C ATOM 1196 O LEU A 80 -0.847 -10.212 0.735 1.00 0.00 O ATOM 1197 CB LEU A 80 1.966 -8.626 0.066 1.00 0.00 C ATOM 1198 CG LEU A 80 3.441 -8.781 -0.311 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.873 -7.546 -1.095 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.321 -8.909 0.927 1.00 0.00 C ATOM 0 H LEU A 80 1.629 -11.102 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 80 2.018 -9.618 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.361 -8.653 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.814 -7.647 0.521 1.00 0.00 H new ATOM 0 HG LEU A 80 3.554 -9.686 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.923 -7.640 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.266 -7.457 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.739 -6.658 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.362 -9.018 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.214 -8.016 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.017 -9.785 1.500 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.328 -8.593 2.213 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.703 -8.213 2.502 1.00 0.00 C ATOM 1214 C ASP A 81 -1.839 -6.715 2.248 1.00 0.00 C ATOM 1215 O ASP A 81 -1.422 -5.898 3.066 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.070 -8.582 3.939 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.543 -8.288 4.209 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.375 -8.719 3.379 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.832 -7.638 5.238 1.00 0.00 O ATOM 0 H ASP A 81 0.364 -8.080 2.759 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.395 -8.752 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.867 -9.639 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.448 -8.020 4.635 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.425 -6.365 1.104 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.462 -4.992 0.626 1.00 0.00 C ATOM 1226 C ILE A 82 -3.903 -4.500 0.556 1.00 0.00 C ATOM 1227 O ILE A 82 -4.801 -5.234 0.149 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.742 -4.933 -0.719 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.262 -5.259 -0.470 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.866 -3.547 -1.356 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.424 -5.704 -1.751 1.00 0.00 C ATOM 0 H ILE A 82 -2.887 -7.030 0.484 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.946 -4.322 1.314 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.192 -5.650 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.244 -4.381 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.181 -6.045 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.343 -3.538 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.918 -3.313 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.425 -2.802 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.471 -5.928 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.069 -6.596 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.363 -4.907 -2.492 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.122 -3.245 0.956 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.438 -2.628 0.957 1.00 0.00 C ATOM 1245 C ASN A 83 -5.305 -1.107 0.974 1.00 0.00 C ATOM 1246 O ASN A 83 -4.229 -0.575 1.236 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.222 -3.117 2.176 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.478 -2.872 3.484 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -4.835 -3.771 4.013 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.561 -1.657 4.016 1.00 0.00 N ATOM 0 H ASN A 83 -3.381 -2.629 1.290 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.976 -2.910 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.187 -2.611 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.424 -4.183 2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.080 -1.450 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.105 -0.932 3.549 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.401 -0.393 0.700 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.417 1.057 0.778 1.00 0.00 C ATOM 1259 C LEU A 84 -6.094 1.484 2.207 1.00 0.00 C ATOM 1260 O LEU A 84 -6.508 0.818 3.152 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.803 1.565 0.378 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.706 2.767 -0.558 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.307 2.306 -1.956 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.065 3.454 -0.636 1.00 0.00 C ATOM 0 H LEU A 84 -7.291 -0.806 0.421 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.673 1.478 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.358 0.765 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.363 1.842 1.271 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.956 3.459 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.240 3.169 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.339 1.806 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.056 1.613 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.001 4.313 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.806 2.752 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.361 3.788 0.358 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.365 2.592 2.376 1.00 0.00 N ATOM 1277 CA ALA A 85 -4.976 3.075 3.694 1.00 0.00 C ATOM 1278 C ALA A 85 -6.173 3.534 4.539 1.00 0.00 C ATOM 1279 O ALA A 85 -5.982 4.015 5.656 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.952 4.198 3.537 1.00 0.00 C ATOM 0 H ALA A 85 -5.033 3.172 1.605 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.529 2.242 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.658 4.563 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.074 3.819 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.392 5.014 2.964 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.397 3.388 4.023 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.609 3.748 4.742 1.00 0.00 C ATOM 1288 C ALA A 86 -9.700 2.688 4.577 1.00 0.00 C ATOM 1289 O ALA A 86 -10.822 2.884 5.038 1.00 0.00 O ATOM 1290 CB ALA A 86 -9.091 5.110 4.248 1.00 0.00 C ATOM 0 H ALA A 86 -7.569 3.014 3.090 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.384 3.804 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.000 5.390 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.319 5.857 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.299 5.057 3.179 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.378 1.569 3.920 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.326 0.489 3.682 1.00 0.00 C ATOM 1298 C GLU A 87 -9.630 -0.866 3.824 1.00 0.00 C ATOM 1299 O GLU A 87 -9.482 -1.586 2.836 1.00 0.00 O ATOM 1300 CB GLU A 87 -10.962 0.626 2.294 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.801 1.898 2.160 1.00 0.00 C ATOM 1302 CD GLU A 87 -12.503 1.972 0.806 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.601 0.923 0.131 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -12.944 3.087 0.444 1.00 0.00 O ATOM 0 H GLU A 87 -8.448 1.392 3.539 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.119 0.552 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.178 0.630 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.590 -0.243 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.544 1.930 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.161 2.771 2.286 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.197 -1.229 5.038 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.609 -2.528 5.309 1.00 0.00 C ATOM 1313 C PRO A 88 -9.692 -3.587 5.114 1.00 0.00 C ATOM 1314 O PRO A 88 -10.849 -3.363 5.469 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.068 -2.426 6.737 1.00 0.00 C ATOM 1316 CG PRO A 88 -8.975 -1.384 7.387 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.282 -0.423 6.241 1.00 0.00 C ATOM 0 HA PRO A 88 -7.793 -2.816 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.120 -3.383 7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.024 -2.113 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.883 -1.835 7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.478 -0.878 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.273 0.018 6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.568 0.400 6.215 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.325 -4.746 4.550 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.300 -5.745 4.116 1.00 0.00 C ATOM 1327 C LYS A 89 -11.224 -6.200 5.243 1.00 0.00 C ATOM 1328 O LYS A 89 -12.428 -5.958 5.173 1.00 0.00 O ATOM 1329 CB LYS A 89 -9.607 -6.939 3.446 1.00 0.00 C ATOM 1330 CG LYS A 89 -8.284 -7.334 4.114 1.00 0.00 C ATOM 1331 CD LYS A 89 -7.819 -8.708 3.623 1.00 0.00 C ATOM 1332 CE LYS A 89 -7.580 -8.749 2.112 1.00 0.00 C ATOM 1333 NZ LYS A 89 -6.423 -7.924 1.715 1.00 0.00 N ATOM 0 H LYS A 89 -8.354 -5.012 4.385 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.935 -5.259 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.282 -7.795 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.419 -6.699 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.522 -6.586 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.409 -7.352 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.899 -8.981 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.567 -9.456 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.415 -9.780 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.472 -8.397 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.326 -7.938 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.568 -6.945 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.559 -8.306 2.149 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.680 -6.851 6.273 1.00 0.00 N ATOM 1348 CA VAL A 90 -11.468 -7.312 7.410 1.00 0.00 C ATOM 1349 C VAL A 90 -10.641 -7.254 8.688 1.00 0.00 C ATOM 1350 O VAL A 90 -11.156 -6.899 9.747 1.00 0.00 O ATOM 1351 CB VAL A 90 -11.939 -8.755 7.187 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -12.725 -9.236 8.409 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -12.832 -8.886 5.955 1.00 0.00 C ATOM 0 H VAL A 90 -9.686 -7.071 6.340 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.334 -6.658 7.506 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.048 -9.364 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.058 -10.261 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.086 -9.197 9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.592 -8.593 8.560 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.140 -9.925 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.714 -8.257 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.280 -8.570 5.070 1.00 0.00 H new ATOM 1363 N ASN A 91 -9.357 -7.599 8.585 1.00 0.00 N ATOM 1364 CA ASN A 91 -8.457 -7.652 9.723 1.00 0.00 C ATOM 1365 C ASN A 91 -7.185 -6.865 9.411 1.00 0.00 C ATOM 1366 O ASN A 91 -7.018 -6.371 8.295 1.00 0.00 O ATOM 1367 CB ASN A 91 -8.133 -9.113 10.046 1.00 0.00 C ATOM 1368 CG ASN A 91 -9.391 -9.911 10.340 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -9.916 -9.875 11.451 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -9.881 -10.635 9.343 1.00 0.00 N ATOM 0 H ASN A 91 -8.915 -7.850 7.701 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.932 -7.201 10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.603 -9.563 9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.464 -9.157 10.905 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.725 -11.190 9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.414 -10.637 8.436 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.293 -6.751 10.398 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.047 -6.020 10.225 1.00 0.00 C ATOM 1379 C ARG A 92 -3.898 -6.673 10.989 1.00 0.00 C ATOM 1380 O ARG A 92 -2.831 -6.893 10.424 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.258 -4.586 10.721 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.002 -3.749 10.484 1.00 0.00 C ATOM 1383 CD ARG A 92 -4.102 -2.403 11.193 1.00 0.00 C ATOM 1384 NE ARG A 92 -5.215 -1.597 10.681 1.00 0.00 N ATOM 1385 CZ ARG A 92 -5.578 -0.418 11.193 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -4.938 0.099 12.238 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -6.593 0.258 10.658 1.00 0.00 N ATOM 0 H ARG A 92 -6.416 -7.158 11.325 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.777 -6.027 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.105 -4.136 10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.502 -4.594 11.783 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.127 -4.290 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.862 -3.591 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.233 -2.565 12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.168 -1.855 11.066 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.743 -1.958 9.887 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.158 -0.406 12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.227 1.000 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.094 -0.125 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.869 1.158 11.050 1.00 0.00 H new ATOM 1401 N GLY A 93 -4.102 -6.985 12.269 1.00 0.00 N ATOM 1402 CA GLY A 93 -3.013 -7.404 13.136 1.00 0.00 C ATOM 1403 C GLY A 93 -2.571 -8.844 12.918 1.00 0.00 C ATOM 1404 O GLY A 93 -3.348 -9.776 13.128 1.00 0.00 O ATOM 0 H GLY A 93 -5.014 -6.954 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.160 -6.744 12.977 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.321 -7.282 14.175 1.00 0.00 H new ATOM 1408 N LYS A 94 -1.309 -8.992 12.503 1.00 0.00 N ATOM 1409 CA LYS A 94 -0.564 -10.242 12.357 1.00 0.00 C ATOM 1410 C LYS A 94 -1.193 -11.320 11.466 1.00 0.00 C ATOM 1411 O LYS A 94 -0.495 -12.268 11.104 1.00 0.00 O ATOM 1412 CB LYS A 94 -0.255 -10.793 13.745 1.00 0.00 C ATOM 1413 CG LYS A 94 0.614 -9.804 14.525 1.00 0.00 C ATOM 1414 CD LYS A 94 1.087 -10.420 15.840 1.00 0.00 C ATOM 1415 CE LYS A 94 -0.102 -10.754 16.743 1.00 0.00 C ATOM 1416 NZ LYS A 94 0.349 -11.321 18.028 1.00 0.00 N ATOM 0 H LYS A 94 -0.744 -8.184 12.243 1.00 0.00 H new ATOM 0 HA LYS A 94 0.343 -9.977 11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.183 -10.978 14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.259 -11.750 13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.475 -9.516 13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.047 -8.895 14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.661 -11.324 15.637 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.755 -9.727 16.352 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.688 -9.853 16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.757 -11.464 16.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.477 -11.538 18.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.888 -12.193 17.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.955 -10.632 18.518 1.00 0.00 H new ATOM 1430 N ALA A 95 -2.470 -11.214 11.098 1.00 0.00 N ATOM 1431 CA ALA A 95 -3.114 -12.221 10.270 1.00 0.00 C ATOM 1432 C ALA A 95 -4.383 -11.678 9.616 1.00 0.00 C ATOM 1433 O ALA A 95 -4.914 -10.647 10.021 1.00 0.00 O ATOM 1434 CB ALA A 95 -3.462 -13.428 11.147 1.00 0.00 C ATOM 0 H ALA A 95 -3.076 -10.437 11.363 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.428 -12.511 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.946 -14.192 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.550 -13.836 11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.138 -13.116 11.943 1.00 0.00 H new ATOM 1440 N GLY A 96 -4.868 -12.394 8.594 1.00 0.00 N ATOM 1441 CA GLY A 96 -6.089 -12.056 7.885 1.00 0.00 C ATOM 1442 C GLY A 96 -7.246 -12.950 8.312 1.00 0.00 C ATOM 1443 O GLY A 96 -8.319 -12.866 7.718 1.00 0.00 O ATOM 0 H GLY A 96 -4.411 -13.234 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.344 -11.013 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.928 -12.155 6.812 1.00 0.00 H new ATOM 1447 N VAL A 97 -7.051 -13.802 9.325 1.00 0.00 N ATOM 1448 CA VAL A 97 -8.086 -14.741 9.738 1.00 0.00 C ATOM 1449 C VAL A 97 -9.357 -13.988 10.118 1.00 0.00 C ATOM 1450 O VAL A 97 -9.321 -13.016 10.869 1.00 0.00 O ATOM 1451 CB VAL A 97 -7.595 -15.665 10.860 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -7.239 -14.893 12.133 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -8.672 -16.702 11.182 1.00 0.00 C ATOM 0 H VAL A 97 -6.189 -13.856 9.868 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.324 -15.389 8.895 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.689 -16.155 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.897 -15.590 12.898 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.447 -14.177 11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.119 -14.361 12.494 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.320 -17.357 11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.581 -16.194 11.504 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.884 -17.295 10.292 1.00 0.00 H new ATOM 1463 N LYS A 98 -10.483 -14.458 9.580 1.00 0.00 N ATOM 1464 CA LYS A 98 -11.764 -13.769 9.637 1.00 0.00 C ATOM 1465 C LYS A 98 -12.861 -14.675 10.190 1.00 0.00 C ATOM 1466 O LYS A 98 -14.031 -14.527 9.839 1.00 0.00 O ATOM 1467 CB LYS A 98 -12.061 -13.226 8.240 1.00 0.00 C ATOM 1468 CG LYS A 98 -12.098 -14.359 7.204 1.00 0.00 C ATOM 1469 CD LYS A 98 -11.802 -13.830 5.803 1.00 0.00 C ATOM 1470 CE LYS A 98 -10.349 -13.369 5.685 1.00 0.00 C ATOM 1471 NZ LYS A 98 -10.036 -12.958 4.302 1.00 0.00 N ATOM 0 H LYS A 98 -10.526 -15.348 9.083 1.00 0.00 H new ATOM 0 HA LYS A 98 -11.725 -12.931 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.017 -12.702 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.300 -12.497 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.368 -15.123 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.078 -14.836 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.001 -14.609 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -12.470 -12.999 5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.172 -12.536 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.682 -14.176 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.044 -12.649 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.184 -13.762 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.659 -12.173 4.024 1.00 0.00 H new ATOM 1485 N ARG A 99 -12.475 -15.618 11.054 1.00 0.00 N ATOM 1486 CA ARG A 99 -13.387 -16.567 11.675 1.00 0.00 C ATOM 1487 C ARG A 99 -13.091 -16.645 13.169 1.00 0.00 C ATOM 1488 O ARG A 99 -12.025 -16.216 13.610 1.00 0.00 O ATOM 1489 CB ARG A 99 -13.219 -17.937 11.003 1.00 0.00 C ATOM 1490 CG ARG A 99 -14.528 -18.721 10.980 1.00 0.00 C ATOM 1491 CD ARG A 99 -15.503 -18.086 9.988 1.00 0.00 C ATOM 1492 NE ARG A 99 -16.794 -18.780 10.016 1.00 0.00 N ATOM 1493 CZ ARG A 99 -17.538 -19.076 8.949 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -17.168 -18.717 7.722 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -18.675 -19.740 9.119 1.00 0.00 N ATOM 0 H ARG A 99 -11.504 -15.741 11.342 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.420 -16.243 11.547 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.859 -17.800 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.460 -18.512 11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.336 -19.757 10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.969 -18.736 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.645 -17.033 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.084 -18.126 8.982 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.154 -19.060 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.298 -18.204 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.754 -18.955 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -18.969 -20.017 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.255 -19.974 8.313 1.00 0.00 H new ATOM 1509 N SER A 100 -14.023 -17.192 13.950 1.00 0.00 N ATOM 1510 CA SER A 100 -13.840 -17.368 15.383 1.00 0.00 C ATOM 1511 C SER A 100 -12.778 -18.423 15.681 1.00 0.00 C ATOM 1512 O SER A 100 -12.345 -18.547 16.825 1.00 0.00 O ATOM 1513 CB SER A 100 -15.167 -17.797 15.996 1.00 0.00 C ATOM 1514 OG SER A 100 -16.093 -16.734 15.921 1.00 0.00 O ATOM 0 H SER A 100 -14.923 -17.524 13.604 1.00 0.00 H new ATOM 0 HA SER A 100 -13.506 -16.423 15.812 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.556 -18.669 15.470 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.020 -18.091 17.035 1.00 0.00 H new ATOM 0 HG SER A 100 -16.946 -17.014 16.315 1.00 0.00 H new ATOM 1520 N ALA A 101 -12.363 -19.177 14.657 1.00 0.00 N ATOM 1521 CA ALA A 101 -11.431 -20.292 14.778 1.00 0.00 C ATOM 1522 C ALA A 101 -11.833 -21.297 15.870 1.00 0.00 C ATOM 1523 O ALA A 101 -11.025 -22.137 16.263 1.00 0.00 O ATOM 1524 CB ALA A 101 -10.010 -19.759 14.963 1.00 0.00 C ATOM 0 H ALA A 101 -12.677 -19.021 13.699 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.467 -20.862 13.850 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.317 -20.595 15.053 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.735 -19.150 14.102 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.964 -19.151 15.866 1.00 0.00 H new ATOM 1530 N ALA A 102 -13.079 -21.217 16.357 1.00 0.00 N ATOM 1531 CA ALA A 102 -13.572 -22.087 17.414 1.00 0.00 C ATOM 1532 C ALA A 102 -15.077 -22.335 17.301 1.00 0.00 C ATOM 1533 O ALA A 102 -15.659 -22.988 18.165 1.00 0.00 O ATOM 1534 CB ALA A 102 -13.229 -21.461 18.765 1.00 0.00 C ATOM 0 H ALA A 102 -13.768 -20.543 16.023 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.088 -23.059 17.318 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.593 -22.103 19.567 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.148 -21.351 18.851 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.701 -20.481 18.842 1.00 0.00 H new ATOM 1540 N GLU A 103 -15.721 -21.821 16.245 1.00 0.00 N ATOM 1541 CA GLU A 103 -17.167 -21.934 16.086 1.00 0.00 C ATOM 1542 C GLU A 103 -17.594 -23.331 15.632 1.00 0.00 C ATOM 1543 O GLU A 103 -18.786 -23.612 15.515 1.00 0.00 O ATOM 1544 CB GLU A 103 -17.661 -20.867 15.111 1.00 0.00 C ATOM 1545 CG GLU A 103 -17.022 -21.007 13.724 1.00 0.00 C ATOM 1546 CD GLU A 103 -17.641 -20.015 12.748 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -17.328 -18.810 12.870 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -18.425 -20.464 11.879 1.00 0.00 O ATOM 0 H GLU A 103 -15.256 -21.321 15.487 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.626 -21.772 17.061 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.745 -20.936 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.438 -19.879 15.513 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.948 -20.836 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.160 -22.023 13.355 1.00 0.00 H new ATOM 1555 N MET A 104 -16.624 -24.210 15.377 1.00 0.00 N ATOM 1556 CA MET A 104 -16.867 -25.577 14.933 1.00 0.00 C ATOM 1557 C MET A 104 -16.629 -26.579 16.065 1.00 0.00 C ATOM 1558 O MET A 104 -16.638 -27.787 15.828 1.00 0.00 O ATOM 1559 CB MET A 104 -15.988 -25.883 13.719 1.00 0.00 C ATOM 1560 CG MET A 104 -16.362 -24.963 12.554 1.00 0.00 C ATOM 1561 SD MET A 104 -15.342 -25.171 11.071 1.00 0.00 S ATOM 1562 CE MET A 104 -13.775 -24.521 11.700 1.00 0.00 C ATOM 0 H MET A 104 -15.634 -23.986 15.476 1.00 0.00 H new ATOM 0 HA MET A 104 -17.913 -25.674 14.641 1.00 0.00 H new ATOM 0 HB2 MET A 104 -14.938 -25.747 13.977 1.00 0.00 H new ATOM 0 HB3 MET A 104 -16.112 -26.925 13.424 1.00 0.00 H new ATOM 0 HG2 MET A 104 -17.405 -25.139 12.289 1.00 0.00 H new ATOM 0 HG3 MET A 104 -16.288 -23.928 12.887 1.00 0.00 H new ATOM 0 HE1 MET A 104 -13.103 -24.320 10.865 1.00 0.00 H new ATOM 0 HE2 MET A 104 -13.958 -23.597 12.249 1.00 0.00 H new ATOM 0 HE3 MET A 104 -13.318 -25.253 12.365 1.00 0.00 H new ATOM 1572 N TYR A 105 -16.415 -26.091 17.292 1.00 0.00 N ATOM 1573 CA TYR A 105 -16.129 -26.939 18.441 1.00 0.00 C ATOM 1574 C TYR A 105 -16.983 -26.562 19.651 1.00 0.00 C ATOM 1575 O TYR A 105 -16.848 -27.167 20.715 1.00 0.00 O ATOM 1576 CB TYR A 105 -14.637 -26.848 18.773 1.00 0.00 C ATOM 1577 CG TYR A 105 -13.729 -27.110 17.591 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -13.346 -28.420 17.270 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -13.272 -26.037 16.816 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -12.509 -28.662 16.170 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -12.434 -26.266 15.716 1.00 0.00 C ATOM 1582 CZ TYR A 105 -12.050 -27.584 15.388 1.00 0.00 C ATOM 1583 OH TYR A 105 -11.243 -27.812 14.315 1.00 0.00 O ATOM 0 H TYR A 105 -16.437 -25.095 17.510 1.00 0.00 H new ATOM 0 HA TYR A 105 -16.383 -27.968 18.187 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -14.423 -25.856 19.170 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -14.406 -27.564 19.562 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.696 -29.246 17.871 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -13.566 -25.029 17.067 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.217 -29.672 15.924 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.083 -25.436 15.121 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.020 -26.959 13.886 1.00 0.00 H new ATOM 1593 N GLY A 106 -17.868 -25.567 19.501 1.00 0.00 N ATOM 1594 CA GLY A 106 -18.765 -25.116 20.558 1.00 0.00 C ATOM 1595 C GLY A 106 -17.994 -24.457 21.699 1.00 0.00 C ATOM 1596 O GLY A 106 -16.770 -24.364 21.645 1.00 0.00 O ATOM 1597 OXT GLY A 106 -18.569 -24.011 22.677 1.00 0.00 O ATOM 0 H GLY A 106 -17.977 -25.050 18.628 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -19.486 -24.409 20.148 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -19.332 -25.964 20.942 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 2.554 -7.400 11.102 1.00 0.00 O ATOM 1603 C5' U B 1 3.338 -6.485 10.366 1.00 0.00 C ATOM 1604 C4' U B 1 2.498 -5.325 9.824 1.00 0.00 C ATOM 1605 O4' U B 1 1.674 -5.792 8.764 1.00 0.00 O ATOM 1606 C3' U B 1 1.592 -4.725 10.902 1.00 0.00 C ATOM 1607 O3' U B 1 1.423 -3.341 10.653 1.00 0.00 O ATOM 1608 C2' U B 1 0.303 -5.505 10.669 1.00 0.00 C ATOM 1609 O2' U B 1 -0.837 -4.806 11.110 1.00 0.00 O ATOM 1610 C1' U B 1 0.317 -5.674 9.155 1.00 0.00 C ATOM 1611 N1 U B 1 -0.473 -6.848 8.725 1.00 0.00 N ATOM 1612 C2 U B 1 -1.530 -6.648 7.844 1.00 0.00 C ATOM 1613 O2 U B 1 -1.834 -5.539 7.417 1.00 0.00 O ATOM 1614 N3 U B 1 -2.235 -7.774 7.461 1.00 0.00 N ATOM 1615 C4 U B 1 -2.009 -9.063 7.905 1.00 0.00 C ATOM 1616 O4 U B 1 -2.709 -9.993 7.514 1.00 0.00 O ATOM 1617 C5 U B 1 -0.909 -9.175 8.833 1.00 0.00 C ATOM 1618 C6 U B 1 -0.182 -8.097 9.198 1.00 0.00 C ATOM 0 H5' U B 1 3.820 -7.003 9.537 1.00 0.00 H new ATOM 0 H5'' U B 1 4.132 -6.093 11.002 1.00 0.00 H new ATOM 0 H4' U B 1 3.188 -4.556 9.478 1.00 0.00 H new ATOM 0 H3' U B 1 1.961 -4.798 11.925 1.00 0.00 H new ATOM 0 H2' U B 1 0.256 -6.444 11.221 1.00 0.00 H new ATOM 0 HO2' U B 1 -0.630 -4.336 11.945 1.00 0.00 H new ATOM 0 HO5' U B 1 3.122 -8.127 11.431 1.00 0.00 H new ATOM 0 H1' U B 1 -0.148 -4.813 8.675 1.00 0.00 H new ATOM 0 H3 U B 1 -2.991 -7.641 6.789 1.00 0.00 H new ATOM 0 H5 U B 1 -0.662 -10.142 9.245 1.00 0.00 H new ATOM 0 H6 U B 1 0.647 -8.225 9.878 1.00 0.00 H new ATOM 1629 P U B 2 1.044 -2.330 11.851 1.00 0.00 P ATOM 1630 OP1 U B 2 2.305 -1.875 12.480 1.00 0.00 O ATOM 1631 OP2 U B 2 0.008 -2.971 12.697 1.00 0.00 O ATOM 1632 O5' U B 2 0.354 -1.073 11.110 1.00 0.00 O ATOM 1633 C5' U B 2 1.140 -0.127 10.408 1.00 0.00 C ATOM 1634 C4' U B 2 0.338 1.139 10.086 1.00 0.00 C ATOM 1635 O4' U B 2 -0.573 0.936 9.015 1.00 0.00 O ATOM 1636 C3' U B 2 -0.473 1.642 11.291 1.00 0.00 C ATOM 1637 O3' U B 2 -0.223 3.014 11.553 1.00 0.00 O ATOM 1638 C2' U B 2 -1.914 1.483 10.810 1.00 0.00 C ATOM 1639 O2' U B 2 -2.799 2.422 11.389 1.00 0.00 O ATOM 1640 C1' U B 2 -1.729 1.697 9.317 1.00 0.00 C ATOM 1641 N1 U B 2 -2.907 1.281 8.521 1.00 0.00 N ATOM 1642 C2 U B 2 -3.550 2.261 7.776 1.00 0.00 C ATOM 1643 O2 U B 2 -3.181 3.430 7.761 1.00 0.00 O ATOM 1644 N3 U B 2 -4.642 1.854 7.031 1.00 0.00 N ATOM 1645 C4 U B 2 -5.142 0.568 6.961 1.00 0.00 C ATOM 1646 O4 U B 2 -6.113 0.315 6.255 1.00 0.00 O ATOM 1647 C5 U B 2 -4.428 -0.387 7.775 1.00 0.00 C ATOM 1648 C6 U B 2 -3.359 -0.014 8.518 1.00 0.00 C ATOM 0 H5' U B 2 1.507 -0.572 9.483 1.00 0.00 H new ATOM 0 H5'' U B 2 2.014 0.136 11.004 1.00 0.00 H new ATOM 0 H4' U B 2 1.086 1.882 9.808 1.00 0.00 H new ATOM 0 H3' U B 2 -0.233 1.105 12.208 1.00 0.00 H new ATOM 0 H2' U B 2 -2.374 0.532 11.080 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.283 3.140 11.812 1.00 0.00 H new ATOM 0 H1' U B 2 -1.618 2.751 9.062 1.00 0.00 H new ATOM 0 H3 U B 2 -5.122 2.568 6.483 1.00 0.00 H new ATOM 0 H5 U B 2 -4.752 -1.417 7.792 1.00 0.00 H new ATOM 0 H6 U B 2 -2.851 -0.752 9.121 1.00 0.00 H new ATOM 1659 P U B 3 1.006 3.494 12.478 1.00 0.00 P ATOM 1660 OP1 U B 3 1.596 2.306 13.133 1.00 0.00 O ATOM 1661 OP2 U B 3 0.520 4.617 13.308 1.00 0.00 O ATOM 1662 O5' U B 3 2.086 4.087 11.440 1.00 0.00 O ATOM 1663 C5' U B 3 3.187 3.323 11.003 1.00 0.00 C ATOM 1664 C4' U B 3 4.081 4.126 10.052 1.00 0.00 C ATOM 1665 O4' U B 3 3.482 4.224 8.768 1.00 0.00 O ATOM 1666 C3' U B 3 4.318 5.546 10.572 1.00 0.00 C ATOM 1667 O3' U B 3 5.631 5.945 10.227 1.00 0.00 O ATOM 1668 C2' U B 3 3.262 6.344 9.812 1.00 0.00 C ATOM 1669 O2' U B 3 3.652 7.684 9.590 1.00 0.00 O ATOM 1670 C1' U B 3 3.137 5.573 8.502 1.00 0.00 C ATOM 1671 N1 U B 3 1.768 5.662 7.957 1.00 0.00 N ATOM 1672 C2 U B 3 1.597 6.264 6.719 1.00 0.00 C ATOM 1673 O2 U B 3 2.538 6.722 6.073 1.00 0.00 O ATOM 1674 N3 U B 3 0.302 6.324 6.235 1.00 0.00 N ATOM 1675 C4 U B 3 -0.823 5.839 6.882 1.00 0.00 C ATOM 1676 O4 U B 3 -1.931 5.930 6.359 1.00 0.00 O ATOM 1677 C5 U B 3 -0.559 5.245 8.170 1.00 0.00 C ATOM 1678 C6 U B 3 0.702 5.168 8.658 1.00 0.00 C ATOM 0 H5' U B 3 2.831 2.424 10.499 1.00 0.00 H new ATOM 0 H5'' U B 3 3.770 2.996 11.864 1.00 0.00 H new ATOM 0 H4' U B 3 5.032 3.597 9.989 1.00 0.00 H new ATOM 0 H3' U B 3 4.237 5.669 11.652 1.00 0.00 H new ATOM 0 H2' U B 3 2.324 6.429 10.361 1.00 0.00 H new ATOM 0 HO2' U B 3 4.322 7.944 10.256 1.00 0.00 H new ATOM 0 H1' U B 3 3.803 6.000 7.752 1.00 0.00 H new ATOM 0 H3 U B 3 0.164 6.763 5.325 1.00 0.00 H new ATOM 0 H5 U B 3 -1.380 4.856 8.754 1.00 0.00 H new ATOM 0 H6 U B 3 0.870 4.707 9.620 1.00 0.00 H new ATOM 1689 P U B 4 6.463 6.960 11.166 1.00 0.00 P ATOM 1690 OP1 U B 4 6.745 6.280 12.452 1.00 0.00 O ATOM 1691 OP2 U B 4 5.777 8.272 11.162 1.00 0.00 O ATOM 1692 O5' U B 4 7.840 7.101 10.350 1.00 0.00 O ATOM 1693 C5' U B 4 8.696 5.985 10.215 1.00 0.00 C ATOM 1694 C4' U B 4 9.760 6.208 9.138 1.00 0.00 C ATOM 1695 O4' U B 4 9.140 6.528 7.899 1.00 0.00 O ATOM 1696 C3' U B 4 10.716 7.354 9.475 1.00 0.00 C ATOM 1697 O3' U B 4 11.974 7.107 8.873 1.00 0.00 O ATOM 1698 C2' U B 4 10.028 8.531 8.798 1.00 0.00 C ATOM 1699 O2' U B 4 10.940 9.565 8.490 1.00 0.00 O ATOM 1700 C1' U B 4 9.420 7.877 7.560 1.00 0.00 C ATOM 1701 N1 U B 4 8.213 8.621 7.144 1.00 0.00 N ATOM 1702 C2 U B 4 8.402 9.761 6.379 1.00 0.00 C ATOM 1703 O2 U B 4 9.515 10.150 6.030 1.00 0.00 O ATOM 1704 N3 U B 4 7.260 10.452 6.016 1.00 0.00 N ATOM 1705 C4 U B 4 5.961 10.092 6.319 1.00 0.00 C ATOM 1706 O4 U B 4 5.020 10.763 5.911 1.00 0.00 O ATOM 1707 C5 U B 4 5.851 8.901 7.129 1.00 0.00 C ATOM 1708 C6 U B 4 6.955 8.215 7.508 1.00 0.00 C ATOM 0 H5' U B 4 8.106 5.103 9.965 1.00 0.00 H new ATOM 0 H5'' U B 4 9.182 5.783 11.169 1.00 0.00 H new ATOM 0 H4' U B 4 10.328 5.279 9.079 1.00 0.00 H new ATOM 0 H3' U B 4 10.900 7.501 10.539 1.00 0.00 H new ATOM 0 H2' U B 4 9.285 9.030 9.419 1.00 0.00 H new ATOM 0 HO2' U B 4 10.680 9.990 7.646 1.00 0.00 H new ATOM 0 H1' U B 4 10.102 7.898 6.710 1.00 0.00 H new ATOM 0 H3 U B 4 7.389 11.307 5.474 1.00 0.00 H new ATOM 0 H5 U B 4 4.876 8.553 7.436 1.00 0.00 H new ATOM 0 H6 U B 4 6.842 7.327 8.112 1.00 0.00 H new ATOM 1719 P C B 5 13.143 6.325 9.662 1.00 0.00 P ATOM 1720 OP1 C B 5 13.231 6.891 11.028 1.00 0.00 O ATOM 1721 OP2 C B 5 14.347 6.322 8.799 1.00 0.00 O ATOM 1722 O5' C B 5 12.614 4.809 9.788 1.00 0.00 O ATOM 1723 C5' C B 5 12.556 3.953 8.661 1.00 0.00 C ATOM 1724 C4' C B 5 12.179 2.515 9.048 1.00 0.00 C ATOM 1725 O4' C B 5 13.327 1.787 9.449 1.00 0.00 O ATOM 1726 C3' C B 5 11.251 2.431 10.253 1.00 0.00 C ATOM 1727 O3' C B 5 10.561 1.192 10.225 1.00 0.00 O ATOM 1728 C2' C B 5 12.231 2.491 11.426 1.00 0.00 C ATOM 1729 O2' C B 5 11.815 1.667 12.499 1.00 0.00 O ATOM 1730 C1' C B 5 13.562 2.004 10.832 1.00 0.00 C ATOM 1731 N1 C B 5 14.668 2.964 11.125 1.00 0.00 N ATOM 1732 C2 C B 5 15.675 3.183 10.181 1.00 0.00 C ATOM 1733 O2 C B 5 15.705 2.578 9.107 1.00 0.00 O ATOM 1734 N3 C B 5 16.651 4.087 10.460 1.00 0.00 N ATOM 1735 C4 C B 5 16.666 4.733 11.627 1.00 0.00 C ATOM 1736 N4 C B 5 17.642 5.610 11.851 1.00 0.00 N ATOM 1737 C5 C B 5 15.676 4.501 12.629 1.00 0.00 C ATOM 1738 C6 C B 5 14.705 3.607 12.335 1.00 0.00 C ATOM 0 H5' C B 5 13.523 3.951 8.157 1.00 0.00 H new ATOM 0 H5'' C B 5 11.827 4.340 7.949 1.00 0.00 H new ATOM 0 H4' C B 5 11.695 2.117 8.156 1.00 0.00 H new ATOM 0 H3' C B 5 10.489 3.209 10.297 1.00 0.00 H new ATOM 0 H2' C B 5 12.304 3.493 11.848 1.00 0.00 H new ATOM 0 HO2' C B 5 12.475 1.713 13.222 1.00 0.00 H new ATOM 0 HO3' C B 5 10.723 0.708 11.062 1.00 0.00 H new ATOM 0 H1' C B 5 13.899 1.071 11.285 1.00 0.00 H new ATOM 0 H41 C B 5 17.678 6.118 12.735 1.00 0.00 H new ATOM 0 H42 C B 5 18.354 5.774 11.139 1.00 0.00 H new ATOM 0 H5 C B 5 15.701 5.016 13.578 1.00 0.00 H new ATOM 0 H6 C B 5 13.942 3.395 13.069 1.00 0.00 H new TER 1750 C B 5