USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.8!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 GLN :FLIP amide:sc= 0 X(o=-0.0042,f=-0.0042) USER MOD Set 2.2: A 75 GLN : amide:sc=-0.00416 X(o=-0.0042,f=-0.0042) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0659 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.838 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.139 USER MOD Single : A 6 SER OG : rot 21:sc= 0.177 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0473 F(o=-1.3!,f=-0.047) USER MOD Single : A 20 MET CE :methyl -124:sc= 0 (180deg=-0.244) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0135 (180deg=-0.239) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00934) USER MOD Single : A 39 GLN : amide:sc= -0.0405 K(o=-0.041,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -174:sc= -1.47 (180deg=-1.57) USER MOD Single : A 50 MET CE :methyl -135:sc= -0.164 (180deg=-2.62!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0256 K(o=-0.026,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.000103 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -142:sc= -0.473 (180deg=-3.8!) USER MOD Single : A 87 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -3:sc= 0.965! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.387 -5.994 5.254 1.00 0.00 N ATOM 2 CA GLY A 1 31.948 -6.035 5.437 1.00 0.00 C ATOM 3 C GLY A 1 31.499 -5.275 6.669 1.00 0.00 C ATOM 4 O GLY A 1 32.292 -5.026 7.576 1.00 0.00 O ATOM 0 H1 GLY A 1 33.625 -5.287 4.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.844 -5.736 6.152 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.725 -6.929 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.461 -5.615 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.624 -7.073 5.516 1.00 0.00 H new ATOM 8 N SER A 2 30.223 -4.904 6.701 1.00 0.00 N ATOM 9 CA SER A 2 29.670 -4.163 7.828 1.00 0.00 C ATOM 10 C SER A 2 28.153 -4.316 7.888 1.00 0.00 C ATOM 11 O SER A 2 27.486 -4.406 6.857 1.00 0.00 O ATOM 12 CB SER A 2 30.041 -2.682 7.723 1.00 0.00 C ATOM 13 OG SER A 2 31.389 -2.466 8.101 1.00 0.00 O ATOM 0 H SER A 2 29.553 -5.105 5.959 1.00 0.00 H new ATOM 0 HA SER A 2 30.095 -4.573 8.744 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.887 -2.337 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.382 -2.093 8.361 1.00 0.00 H new ATOM 0 HG SER A 2 31.884 -3.310 8.045 1.00 0.00 H new ATOM 19 N SER A 3 27.615 -4.345 9.103 1.00 0.00 N ATOM 20 CA SER A 3 26.177 -4.491 9.299 1.00 0.00 C ATOM 21 C SER A 3 25.553 -3.171 9.743 1.00 0.00 C ATOM 22 O SER A 3 26.241 -2.286 10.249 1.00 0.00 O ATOM 23 CB SER A 3 25.891 -5.579 10.335 1.00 0.00 C ATOM 24 OG SER A 3 26.130 -6.869 9.800 1.00 0.00 O ATOM 0 H SER A 3 28.153 -4.269 9.966 1.00 0.00 H new ATOM 0 HA SER A 3 25.732 -4.780 8.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.519 -5.424 11.212 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.855 -5.506 10.667 1.00 0.00 H new ATOM 0 HG SER A 3 25.941 -7.546 10.483 1.00 0.00 H new ATOM 30 N GLY A 4 24.243 -3.049 9.550 1.00 0.00 N ATOM 31 CA GLY A 4 23.547 -1.835 9.936 1.00 0.00 C ATOM 32 C GLY A 4 23.574 -0.781 8.848 1.00 0.00 C ATOM 33 O GLY A 4 24.444 -0.799 7.977 1.00 0.00 O ATOM 0 H GLY A 4 23.652 -3.768 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.512 -2.075 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.002 -1.431 10.840 1.00 0.00 H new ATOM 37 N SER A 5 22.617 0.141 8.895 1.00 0.00 N ATOM 38 CA SER A 5 22.531 1.206 7.902 1.00 0.00 C ATOM 39 C SER A 5 22.488 2.574 8.575 1.00 0.00 C ATOM 40 O SER A 5 22.330 2.675 9.792 1.00 0.00 O ATOM 41 CB SER A 5 21.291 1.016 7.027 1.00 0.00 C ATOM 42 OG SER A 5 21.276 1.945 5.956 1.00 0.00 O ATOM 0 H SER A 5 21.890 0.172 9.610 1.00 0.00 H new ATOM 0 HA SER A 5 23.421 1.157 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.273 0.000 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.393 1.139 7.632 1.00 0.00 H new ATOM 0 HG SER A 5 20.475 1.802 5.410 1.00 0.00 H new ATOM 48 N SER A 6 22.630 3.625 7.774 1.00 0.00 N ATOM 49 CA SER A 6 22.612 4.988 8.292 1.00 0.00 C ATOM 50 C SER A 6 21.219 5.598 8.166 1.00 0.00 C ATOM 51 O SER A 6 20.606 5.561 7.100 1.00 0.00 O ATOM 52 CB SER A 6 23.629 5.854 7.545 1.00 0.00 C ATOM 53 OG SER A 6 23.287 5.974 6.175 1.00 0.00 O ATOM 0 H SER A 6 22.759 3.559 6.764 1.00 0.00 H new ATOM 0 HA SER A 6 22.881 4.953 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.673 6.843 8.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.623 5.416 7.638 1.00 0.00 H new ATOM 0 HG SER A 6 22.334 5.779 6.058 1.00 0.00 H new ATOM 59 N GLY A 7 20.725 6.161 9.265 1.00 0.00 N ATOM 60 CA GLY A 7 19.408 6.771 9.259 1.00 0.00 C ATOM 61 C GLY A 7 18.846 6.951 10.655 1.00 0.00 C ATOM 62 O GLY A 7 17.896 6.270 11.042 1.00 0.00 O ATOM 0 H GLY A 7 21.214 6.205 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.463 7.741 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.727 6.153 8.674 1.00 0.00 H new ATOM 66 N HIS A 8 19.434 7.871 11.414 1.00 0.00 N ATOM 67 CA HIS A 8 18.986 8.138 12.776 1.00 0.00 C ATOM 68 C HIS A 8 17.809 9.108 12.780 1.00 0.00 C ATOM 69 O HIS A 8 17.596 9.846 11.819 1.00 0.00 O ATOM 70 CB HIS A 8 20.134 8.706 13.610 1.00 0.00 C ATOM 71 CG HIS A 8 21.051 7.658 14.161 1.00 0.00 C ATOM 72 ND1 HIS A 8 21.147 7.374 15.507 1.00 0.00 N ATOM 73 CD2 HIS A 8 21.914 6.821 13.539 1.00 0.00 C ATOM 74 CE1 HIS A 8 22.031 6.409 15.689 1.00 0.00 C ATOM 75 NE2 HIS A 8 22.511 6.056 14.510 1.00 0.00 N ATOM 0 H HIS A 8 20.221 8.443 11.109 1.00 0.00 H new ATOM 0 HA HIS A 8 18.659 7.196 13.216 1.00 0.00 H new ATOM 0 HB2 HIS A 8 20.712 9.396 12.995 1.00 0.00 H new ATOM 0 HB3 HIS A 8 19.720 9.285 14.435 1.00 0.00 H new ATOM 0 HD2 HIS A 8 22.099 6.765 12.476 1.00 0.00 H new ATOM 0 HE1 HIS A 8 22.313 5.982 16.640 1.00 0.00 H new ATOM 0 HE2 HIS A 8 23.211 5.333 14.348 1.00 0.00 H new ATOM 84 N GLY A 9 17.046 9.102 13.869 1.00 0.00 N ATOM 85 CA GLY A 9 15.900 9.985 13.977 1.00 0.00 C ATOM 86 C GLY A 9 14.622 9.341 13.477 1.00 0.00 C ATOM 87 O GLY A 9 14.658 8.460 12.617 1.00 0.00 O ATOM 0 H GLY A 9 17.201 8.501 14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.771 10.281 15.018 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.091 10.895 13.408 1.00 0.00 H new ATOM 91 N ASP A 10 13.490 9.778 14.017 1.00 0.00 N ATOM 92 CA ASP A 10 12.195 9.238 13.621 1.00 0.00 C ATOM 93 C ASP A 10 11.690 9.913 12.349 1.00 0.00 C ATOM 94 O ASP A 10 11.330 9.246 11.381 1.00 0.00 O ATOM 95 CB ASP A 10 11.177 9.418 14.748 1.00 0.00 C ATOM 96 CG ASP A 10 11.301 8.351 15.817 1.00 0.00 C ATOM 97 OD1 ASP A 10 10.906 7.196 15.552 1.00 0.00 O ATOM 98 OD2 ASP A 10 11.794 8.670 16.919 1.00 0.00 O ATOM 0 H ASP A 10 13.443 10.505 14.731 1.00 0.00 H new ATOM 0 HA ASP A 10 12.319 8.174 13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.312 10.400 15.202 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.170 9.395 14.331 1.00 0.00 H new ATOM 103 N GLY A 11 11.666 11.243 12.361 1.00 0.00 N ATOM 104 CA GLY A 11 11.203 11.986 11.204 1.00 0.00 C ATOM 105 C GLY A 11 10.067 12.933 11.540 1.00 0.00 C ATOM 106 O GLY A 11 9.846 13.285 12.699 1.00 0.00 O ATOM 0 H GLY A 11 11.959 11.818 13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.033 12.554 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.874 11.287 10.435 1.00 0.00 H new ATOM 110 N PRO A 12 9.325 13.362 10.508 1.00 0.00 N ATOM 111 CA PRO A 12 8.195 14.281 10.675 1.00 0.00 C ATOM 112 C PRO A 12 7.013 13.624 11.379 1.00 0.00 C ATOM 113 O PRO A 12 6.293 14.271 12.138 1.00 0.00 O ATOM 114 CB PRO A 12 7.823 14.650 9.237 1.00 0.00 C ATOM 115 CG PRO A 12 8.297 13.500 8.416 1.00 0.00 C ATOM 116 CD PRO A 12 9.532 12.984 9.100 1.00 0.00 C ATOM 0 HA PRO A 12 8.455 15.138 11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.748 14.796 9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.302 15.580 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.533 12.725 8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.518 13.814 7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.634 11.905 8.984 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.436 13.435 8.691 1.00 0.00 H new ATOM 124 N GLY A 13 6.819 12.334 11.122 1.00 0.00 N ATOM 125 CA GLY A 13 5.723 11.611 11.739 1.00 0.00 C ATOM 126 C GLY A 13 5.329 10.374 10.956 1.00 0.00 C ATOM 127 O GLY A 13 6.152 9.788 10.254 1.00 0.00 O ATOM 0 H GLY A 13 7.402 11.777 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.007 11.321 12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.860 12.271 11.827 1.00 0.00 H new ATOM 131 N ASN A 14 4.067 9.976 11.076 1.00 0.00 N ATOM 132 CA ASN A 14 3.566 8.799 10.375 1.00 0.00 C ATOM 133 C ASN A 14 4.175 8.698 8.980 1.00 0.00 C ATOM 134 O ASN A 14 4.275 9.692 8.261 1.00 0.00 O ATOM 135 CB ASN A 14 2.041 8.850 10.276 1.00 0.00 C ATOM 136 CG ASN A 14 1.396 9.383 11.541 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.298 10.703 11.644 1.00 0.00 O flip ATOM 138 ND2 ASN A 14 0.991 8.616 12.415 1.00 0.00 N flip ATOM 0 H ASN A 14 3.372 10.451 11.652 1.00 0.00 H new ATOM 0 HA ASN A 14 3.857 7.916 10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.755 9.479 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.659 7.850 10.071 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.087 7.608 12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.559 8.989 13.261 1.00 0.00 H new ATOM 145 N ALA A 15 4.580 7.489 8.603 1.00 0.00 N ATOM 146 CA ALA A 15 5.176 7.257 7.294 1.00 0.00 C ATOM 147 C ALA A 15 4.106 6.959 6.249 1.00 0.00 C ATOM 148 O ALA A 15 3.142 6.242 6.519 1.00 0.00 O ATOM 149 CB ALA A 15 6.179 6.115 7.365 1.00 0.00 C ATOM 0 H ALA A 15 4.506 6.656 9.186 1.00 0.00 H new ATOM 0 HA ALA A 15 5.698 8.166 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.616 5.953 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.967 6.366 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.673 5.206 7.691 1.00 0.00 H new ATOM 155 N VAL A 16 4.282 7.513 5.054 1.00 0.00 N ATOM 156 CA VAL A 16 3.331 7.306 3.967 1.00 0.00 C ATOM 157 C VAL A 16 4.051 7.001 2.659 1.00 0.00 C ATOM 158 O VAL A 16 4.995 7.694 2.282 1.00 0.00 O ATOM 159 CB VAL A 16 2.429 8.539 3.769 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.228 9.699 3.194 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.250 8.196 2.871 1.00 0.00 C ATOM 0 H VAL A 16 5.074 8.109 4.813 1.00 0.00 H new ATOM 0 HA VAL A 16 2.712 6.453 4.245 1.00 0.00 H new ATOM 0 HB VAL A 16 2.041 8.844 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.574 10.561 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.036 9.959 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.647 9.410 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.623 9.078 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.617 7.866 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.664 7.398 3.328 1.00 0.00 H new ATOM 171 N GLN A 17 3.597 5.958 1.970 1.00 0.00 N ATOM 172 CA GLN A 17 4.198 5.560 0.703 1.00 0.00 C ATOM 173 C GLN A 17 3.137 5.423 -0.384 1.00 0.00 C ATOM 174 O GLN A 17 2.155 4.700 -0.217 1.00 0.00 O ATOM 175 CB GLN A 17 4.954 4.240 0.864 1.00 0.00 C ATOM 176 CG GLN A 17 6.390 4.414 1.330 1.00 0.00 C ATOM 177 CD GLN A 17 7.300 4.935 0.235 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.231 6.106 -0.141 1.00 0.00 O ATOM 179 NE2 GLN A 17 8.160 4.067 -0.284 1.00 0.00 N ATOM 0 H GLN A 17 2.816 5.374 2.268 1.00 0.00 H new ATOM 0 HA GLN A 17 4.900 6.338 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.423 3.611 1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.952 3.711 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.413 5.103 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.770 3.457 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.183 3.106 0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.797 4.361 -1.024 1.00 0.00 H new ATOM 188 N GLU A 18 3.341 6.122 -1.496 1.00 0.00 N ATOM 189 CA GLU A 18 2.400 6.078 -2.609 1.00 0.00 C ATOM 190 C GLU A 18 2.942 5.216 -3.746 1.00 0.00 C ATOM 191 O GLU A 18 4.075 5.399 -4.191 1.00 0.00 O ATOM 192 CB GLU A 18 2.112 7.492 -3.119 1.00 0.00 C ATOM 193 CG GLU A 18 1.289 8.330 -2.155 1.00 0.00 C ATOM 194 CD GLU A 18 1.125 9.764 -2.623 1.00 0.00 C ATOM 195 OE1 GLU A 18 2.081 10.551 -2.470 1.00 0.00 O ATOM 196 OE2 GLU A 18 0.039 10.097 -3.142 1.00 0.00 O ATOM 0 H GLU A 18 4.149 6.725 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 18 1.472 5.633 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.057 7.999 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.585 7.426 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.305 7.876 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.766 8.324 -1.175 1.00 0.00 H new ATOM 203 N ILE A 19 2.124 4.277 -4.209 1.00 0.00 N ATOM 204 CA ILE A 19 2.521 3.388 -5.294 1.00 0.00 C ATOM 205 C ILE A 19 1.460 3.348 -6.388 1.00 0.00 C ATOM 206 O ILE A 19 0.278 3.574 -6.129 1.00 0.00 O ATOM 207 CB ILE A 19 2.771 1.956 -4.785 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.911 1.672 -3.551 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.245 1.756 -4.467 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.562 2.093 -2.252 1.00 0.00 C ATOM 0 H ILE A 19 1.183 4.112 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 19 3.449 3.786 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 19 2.490 1.254 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.958 2.190 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.691 0.605 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.405 0.739 -4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.837 1.921 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.550 2.464 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.897 1.862 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.502 1.556 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.757 3.165 -2.274 1.00 0.00 H new ATOM 222 N MET A 20 1.890 3.058 -7.612 1.00 0.00 N ATOM 223 CA MET A 20 0.975 2.985 -8.746 1.00 0.00 C ATOM 224 C MET A 20 0.338 1.603 -8.843 1.00 0.00 C ATOM 225 O MET A 20 1.036 0.595 -8.962 1.00 0.00 O ATOM 226 CB MET A 20 1.714 3.312 -10.045 1.00 0.00 C ATOM 227 CG MET A 20 2.409 4.664 -10.026 1.00 0.00 C ATOM 228 SD MET A 20 1.303 6.007 -9.552 1.00 0.00 S ATOM 229 CE MET A 20 0.411 6.268 -11.083 1.00 0.00 C ATOM 0 H MET A 20 2.865 2.870 -7.844 1.00 0.00 H new ATOM 0 HA MET A 20 0.184 3.719 -8.591 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.454 2.535 -10.238 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.005 3.289 -10.872 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.248 4.627 -9.331 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.822 4.870 -11.014 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.512 7.309 -11.390 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.821 5.620 -11.858 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.643 6.034 -10.934 1.00 0.00 H new ATOM 239 N ILE A 21 -0.989 1.563 -8.791 1.00 0.00 N ATOM 240 CA ILE A 21 -1.718 0.304 -8.874 1.00 0.00 C ATOM 241 C ILE A 21 -2.686 0.306 -10.053 1.00 0.00 C ATOM 242 O ILE A 21 -3.563 1.162 -10.167 1.00 0.00 O ATOM 243 CB ILE A 21 -2.504 0.022 -7.580 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.740 0.556 -6.367 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.767 -1.469 -7.433 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.475 -0.215 -6.063 1.00 0.00 C ATOM 0 H ILE A 21 -1.581 2.388 -8.692 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.976 -0.481 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.464 0.536 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.486 1.602 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.393 0.526 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.323 -1.651 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.348 -1.822 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.818 -2.004 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.015 0.219 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.724 -1.256 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.197 -0.164 -6.920 1.00 0.00 H new ATOM 258 N PRO A 22 -2.525 -0.677 -10.951 1.00 0.00 N ATOM 259 CA PRO A 22 -3.377 -0.812 -12.137 1.00 0.00 C ATOM 260 C PRO A 22 -4.799 -1.234 -11.784 1.00 0.00 C ATOM 261 O PRO A 22 -5.016 -2.298 -11.204 1.00 0.00 O ATOM 262 CB PRO A 22 -2.681 -1.907 -12.950 1.00 0.00 C ATOM 263 CG PRO A 22 -1.927 -2.705 -11.944 1.00 0.00 C ATOM 264 CD PRO A 22 -1.501 -1.732 -10.879 1.00 0.00 C ATOM 0 HA PRO A 22 -3.485 0.132 -12.671 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.404 -2.524 -13.483 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.013 -1.480 -13.698 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.551 -3.494 -11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.063 -3.190 -12.398 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.475 -2.200 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.503 -1.337 -11.071 1.00 0.00 H new ATOM 272 N ALA A 23 -5.766 -0.393 -12.138 1.00 0.00 N ATOM 273 CA ALA A 23 -7.168 -0.680 -11.860 1.00 0.00 C ATOM 274 C ALA A 23 -7.475 -2.160 -12.062 1.00 0.00 C ATOM 275 O ALA A 23 -8.230 -2.757 -11.294 1.00 0.00 O ATOM 276 CB ALA A 23 -8.066 0.173 -12.744 1.00 0.00 C ATOM 0 H ALA A 23 -5.604 0.492 -12.618 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.365 -0.434 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.110 -0.051 -12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.873 1.228 -12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.859 -0.046 -13.792 1.00 0.00 H new ATOM 282 N SER A 24 -6.886 -2.746 -13.099 1.00 0.00 N ATOM 283 CA SER A 24 -7.101 -4.156 -13.404 1.00 0.00 C ATOM 284 C SER A 24 -6.776 -5.029 -12.195 1.00 0.00 C ATOM 285 O SER A 24 -7.555 -5.905 -11.820 1.00 0.00 O ATOM 286 CB SER A 24 -6.242 -4.578 -14.597 1.00 0.00 C ATOM 287 OG SER A 24 -6.644 -3.905 -15.778 1.00 0.00 O ATOM 0 H SER A 24 -6.256 -2.267 -13.742 1.00 0.00 H new ATOM 0 HA SER A 24 -8.153 -4.292 -13.656 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.194 -4.361 -14.390 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.321 -5.655 -14.743 1.00 0.00 H new ATOM 0 HG SER A 24 -6.079 -4.191 -16.526 1.00 0.00 H new ATOM 293 N LYS A 25 -5.620 -4.782 -11.589 1.00 0.00 N ATOM 294 CA LYS A 25 -5.190 -5.543 -10.422 1.00 0.00 C ATOM 295 C LYS A 25 -5.675 -4.885 -9.134 1.00 0.00 C ATOM 296 O LYS A 25 -5.528 -5.443 -8.047 1.00 0.00 O ATOM 297 CB LYS A 25 -3.664 -5.665 -10.401 1.00 0.00 C ATOM 298 CG LYS A 25 -3.068 -6.066 -11.739 1.00 0.00 C ATOM 299 CD LYS A 25 -3.112 -7.572 -11.940 1.00 0.00 C ATOM 300 CE LYS A 25 -2.730 -7.955 -13.362 1.00 0.00 C ATOM 301 NZ LYS A 25 -3.913 -7.980 -14.266 1.00 0.00 N ATOM 0 H LYS A 25 -4.964 -4.060 -11.887 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.628 -6.539 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.236 -4.711 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.377 -6.401 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.615 -5.574 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.036 -5.720 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.433 -8.054 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.114 -7.941 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.996 -7.246 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.255 -8.936 -13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.611 -8.245 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.603 -8.675 -13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.352 -7.038 -14.289 1.00 0.00 H new ATOM 315 N ALA A 26 -6.255 -3.696 -9.265 1.00 0.00 N ATOM 316 CA ALA A 26 -6.765 -2.964 -8.112 1.00 0.00 C ATOM 317 C ALA A 26 -7.927 -3.706 -7.461 1.00 0.00 C ATOM 318 O ALA A 26 -8.084 -3.687 -6.241 1.00 0.00 O ATOM 319 CB ALA A 26 -7.195 -1.564 -8.524 1.00 0.00 C ATOM 0 H ALA A 26 -6.383 -3.220 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.962 -2.885 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.574 -1.029 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.340 -1.028 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.979 -1.631 -9.278 1.00 0.00 H new ATOM 325 N GLY A 27 -8.742 -4.360 -8.284 1.00 0.00 N ATOM 326 CA GLY A 27 -9.880 -5.099 -7.770 1.00 0.00 C ATOM 327 C GLY A 27 -9.488 -6.451 -7.207 1.00 0.00 C ATOM 328 O GLY A 27 -10.326 -7.175 -6.669 1.00 0.00 O ATOM 0 H GLY A 27 -8.634 -4.391 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.368 -4.513 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.609 -5.239 -8.568 1.00 0.00 H new ATOM 332 N LEU A 28 -8.211 -6.794 -7.333 1.00 0.00 N ATOM 333 CA LEU A 28 -7.708 -8.069 -6.834 1.00 0.00 C ATOM 334 C LEU A 28 -7.154 -7.921 -5.421 1.00 0.00 C ATOM 335 O LEU A 28 -7.224 -8.849 -4.615 1.00 0.00 O ATOM 336 CB LEU A 28 -6.623 -8.612 -7.766 1.00 0.00 C ATOM 337 CG LEU A 28 -7.112 -9.446 -8.951 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.544 -8.544 -10.097 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.026 -10.409 -9.409 1.00 0.00 C ATOM 0 H LEU A 28 -7.505 -6.207 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.540 -8.773 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.049 -7.770 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.938 -9.221 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.975 -10.029 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.889 -9.155 -10.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.354 -7.895 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.699 -7.935 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.391 -10.994 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.144 -9.845 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.764 -11.078 -8.590 1.00 0.00 H new ATOM 351 N VAL A 29 -6.604 -6.747 -5.127 1.00 0.00 N ATOM 352 CA VAL A 29 -6.040 -6.476 -3.810 1.00 0.00 C ATOM 353 C VAL A 29 -7.074 -5.835 -2.891 1.00 0.00 C ATOM 354 O VAL A 29 -7.030 -6.010 -1.673 1.00 0.00 O ATOM 355 CB VAL A 29 -4.811 -5.553 -3.904 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.060 -4.433 -4.902 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.461 -4.991 -2.535 1.00 0.00 C ATOM 0 H VAL A 29 -6.537 -5.969 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.733 -7.436 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.963 -6.140 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.181 -3.791 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.258 -4.859 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.920 -3.845 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.590 -4.341 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.305 -4.418 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.237 -5.810 -1.852 1.00 0.00 H new ATOM 367 N ILE A 30 -8.004 -5.092 -3.483 1.00 0.00 N ATOM 368 CA ILE A 30 -9.050 -4.426 -2.717 1.00 0.00 C ATOM 369 C ILE A 30 -10.233 -5.358 -2.477 1.00 0.00 C ATOM 370 O ILE A 30 -10.788 -5.403 -1.380 1.00 0.00 O ATOM 371 CB ILE A 30 -9.548 -3.156 -3.432 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.382 -2.199 -3.690 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.628 -2.473 -2.606 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.769 -0.979 -4.496 1.00 0.00 C ATOM 0 H ILE A 30 -8.054 -4.936 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.611 -4.146 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.978 -3.442 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.969 -1.877 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.591 -2.735 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.970 -1.577 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.467 -3.155 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.222 -2.197 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.894 -0.346 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.155 -1.291 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.538 -0.420 -3.963 1.00 0.00 H new ATOM 386 N GLY A 31 -10.613 -6.102 -3.511 1.00 0.00 N ATOM 387 CA GLY A 31 -11.727 -7.025 -3.391 1.00 0.00 C ATOM 388 C GLY A 31 -13.069 -6.322 -3.442 1.00 0.00 C ATOM 389 O GLY A 31 -13.169 -5.191 -3.918 1.00 0.00 O ATOM 0 H GLY A 31 -10.170 -6.082 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.674 -7.760 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.642 -7.572 -2.452 1.00 0.00 H new ATOM 393 N LYS A 32 -14.106 -6.994 -2.953 1.00 0.00 N ATOM 394 CA LYS A 32 -15.450 -6.428 -2.944 1.00 0.00 C ATOM 395 C LYS A 32 -15.716 -5.678 -1.643 1.00 0.00 C ATOM 396 O LYS A 32 -16.015 -6.285 -0.615 1.00 0.00 O ATOM 397 CB LYS A 32 -16.492 -7.534 -3.131 1.00 0.00 C ATOM 398 CG LYS A 32 -16.558 -8.075 -4.549 1.00 0.00 C ATOM 399 CD LYS A 32 -17.903 -8.719 -4.838 1.00 0.00 C ATOM 400 CE LYS A 32 -18.105 -8.943 -6.328 1.00 0.00 C ATOM 401 NZ LYS A 32 -18.280 -7.659 -7.063 1.00 0.00 N ATOM 0 H LYS A 32 -14.041 -7.932 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.526 -5.722 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.266 -8.353 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.473 -7.148 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.382 -7.265 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.764 -8.807 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.972 -9.672 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.701 -8.085 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.248 -9.480 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.980 -9.574 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.710 -7.846 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.899 -7.027 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.353 -7.206 -7.196 1.00 0.00 H new ATOM 415 N GLY A 33 -15.608 -4.354 -1.695 1.00 0.00 N ATOM 416 CA GLY A 33 -15.841 -3.544 -0.515 1.00 0.00 C ATOM 417 C GLY A 33 -14.629 -3.476 0.392 1.00 0.00 C ATOM 418 O GLY A 33 -14.755 -3.538 1.614 1.00 0.00 O ATOM 0 H GLY A 33 -15.363 -3.828 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.119 -2.535 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.684 -3.953 0.041 1.00 0.00 H new ATOM 422 N GLY A 34 -13.449 -3.351 -0.208 1.00 0.00 N ATOM 423 CA GLY A 34 -12.225 -3.280 0.569 1.00 0.00 C ATOM 424 C GLY A 34 -12.175 -4.321 1.669 1.00 0.00 C ATOM 425 O GLY A 34 -11.978 -3.989 2.837 1.00 0.00 O ATOM 0 H GLY A 34 -13.319 -3.298 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.370 -3.414 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.135 -2.287 1.009 1.00 0.00 H new ATOM 429 N GLU A 35 -12.357 -5.584 1.295 1.00 0.00 N ATOM 430 CA GLU A 35 -12.334 -6.676 2.261 1.00 0.00 C ATOM 431 C GLU A 35 -10.936 -7.280 2.366 1.00 0.00 C ATOM 432 O GLU A 35 -10.420 -7.492 3.464 1.00 0.00 O ATOM 433 CB GLU A 35 -13.340 -7.758 1.864 1.00 0.00 C ATOM 434 CG GLU A 35 -13.067 -8.374 0.502 1.00 0.00 C ATOM 435 CD GLU A 35 -12.116 -9.553 0.575 1.00 0.00 C ATOM 436 OE1 GLU A 35 -11.449 -9.713 1.619 1.00 0.00 O ATOM 437 OE2 GLU A 35 -12.039 -10.316 -0.410 1.00 0.00 O ATOM 0 H GLU A 35 -12.522 -5.876 0.332 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.611 -6.272 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.330 -8.545 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.342 -7.328 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.009 -8.698 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.649 -7.615 -0.159 1.00 0.00 H new ATOM 444 N THR A 36 -10.329 -7.556 1.216 1.00 0.00 N ATOM 445 CA THR A 36 -8.993 -8.136 1.177 1.00 0.00 C ATOM 446 C THR A 36 -7.952 -7.157 1.708 1.00 0.00 C ATOM 447 O THR A 36 -7.250 -7.447 2.677 1.00 0.00 O ATOM 448 CB THR A 36 -8.604 -8.557 -0.253 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.615 -9.407 -0.805 1.00 0.00 O ATOM 450 CG2 THR A 36 -7.266 -9.281 -0.259 1.00 0.00 C ATOM 0 H THR A 36 -10.742 -7.387 0.299 1.00 0.00 H new ATOM 0 HA THR A 36 -9.014 -9.020 1.814 1.00 0.00 H new ATOM 0 HB THR A 36 -8.514 -7.657 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.361 -9.669 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.012 -9.568 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.493 -8.621 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.332 -10.173 0.363 1.00 0.00 H new ATOM 458 N ILE A 37 -7.858 -5.997 1.067 1.00 0.00 N ATOM 459 CA ILE A 37 -6.903 -4.974 1.476 1.00 0.00 C ATOM 460 C ILE A 37 -7.015 -4.684 2.969 1.00 0.00 C ATOM 461 O ILE A 37 -6.048 -4.265 3.606 1.00 0.00 O ATOM 462 CB ILE A 37 -7.112 -3.664 0.693 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.110 -2.604 1.155 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.538 -3.164 0.867 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.104 -1.361 0.292 1.00 0.00 C ATOM 0 H ILE A 37 -8.431 -5.742 0.263 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.909 -5.364 1.257 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.944 -3.860 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.340 -2.322 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.110 -3.038 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.670 -2.238 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.235 -3.915 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.733 -2.981 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.370 -0.653 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.844 -1.630 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.093 -0.903 0.307 1.00 0.00 H new ATOM 477 N LYS A 38 -8.201 -4.912 3.524 1.00 0.00 N ATOM 478 CA LYS A 38 -8.440 -4.678 4.943 1.00 0.00 C ATOM 479 C LYS A 38 -7.600 -5.622 5.798 1.00 0.00 C ATOM 480 O LYS A 38 -7.141 -5.251 6.878 1.00 0.00 O ATOM 481 CB LYS A 38 -9.923 -4.863 5.268 1.00 0.00 C ATOM 482 CG LYS A 38 -10.405 -4.001 6.422 1.00 0.00 C ATOM 483 CD LYS A 38 -11.907 -3.781 6.365 1.00 0.00 C ATOM 484 CE LYS A 38 -12.262 -2.571 5.513 1.00 0.00 C ATOM 485 NZ LYS A 38 -12.026 -1.293 6.240 1.00 0.00 N ATOM 0 H LYS A 38 -9.012 -5.259 3.012 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.149 -3.653 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.512 -4.631 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.106 -5.911 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.142 -4.476 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.894 -3.038 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.390 -4.669 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.294 -3.643 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.669 -2.584 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.309 -2.631 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.374 -0.498 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.532 -1.312 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.007 -1.175 6.413 1.00 0.00 H new ATOM 499 N GLN A 39 -7.402 -6.841 5.307 1.00 0.00 N ATOM 500 CA GLN A 39 -6.616 -7.836 6.027 1.00 0.00 C ATOM 501 C GLN A 39 -5.123 -7.598 5.829 1.00 0.00 C ATOM 502 O GLN A 39 -4.302 -8.031 6.638 1.00 0.00 O ATOM 503 CB GLN A 39 -6.987 -9.244 5.560 1.00 0.00 C ATOM 504 CG GLN A 39 -8.299 -9.751 6.137 1.00 0.00 C ATOM 505 CD GLN A 39 -8.165 -10.210 7.575 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.091 -10.628 8.009 1.00 0.00 O ATOM 507 NE2 GLN A 39 -9.259 -10.133 8.325 1.00 0.00 N ATOM 0 H GLN A 39 -7.775 -7.163 4.414 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.842 -7.742 7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.051 -9.252 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.188 -9.932 5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.046 -8.960 6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.664 -10.578 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.128 -9.780 7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.230 -10.427 9.301 1.00 0.00 H new ATOM 516 N LEU A 40 -4.778 -6.907 4.748 1.00 0.00 N ATOM 517 CA LEU A 40 -3.382 -6.611 4.443 1.00 0.00 C ATOM 518 C LEU A 40 -2.840 -5.527 5.370 1.00 0.00 C ATOM 519 O LEU A 40 -1.631 -5.418 5.571 1.00 0.00 O ATOM 520 CB LEU A 40 -3.241 -6.169 2.985 1.00 0.00 C ATOM 521 CG LEU A 40 -3.373 -7.272 1.934 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.469 -6.672 0.540 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.198 -8.236 2.022 1.00 0.00 C ATOM 0 H LEU A 40 -5.445 -6.541 4.068 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.801 -7.520 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.996 -5.409 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.268 -5.693 2.863 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.289 -7.828 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.562 -7.472 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.343 -6.023 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.571 -6.091 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.309 -9.014 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.268 -7.693 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.175 -8.692 3.012 1.00 0.00 H new ATOM 535 N GLN A 41 -3.743 -4.730 5.931 1.00 0.00 N ATOM 536 CA GLN A 41 -3.355 -3.656 6.837 1.00 0.00 C ATOM 537 C GLN A 41 -2.792 -4.218 8.138 1.00 0.00 C ATOM 538 O GLN A 41 -1.897 -3.629 8.743 1.00 0.00 O ATOM 539 CB GLN A 41 -4.553 -2.752 7.134 1.00 0.00 C ATOM 540 CG GLN A 41 -5.055 -1.989 5.920 1.00 0.00 C ATOM 541 CD GLN A 41 -6.157 -1.006 6.263 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.274 -0.561 7.405 1.00 0.00 O ATOM 543 NE2 GLN A 41 -6.973 -0.662 5.273 1.00 0.00 N ATOM 0 H GLN A 41 -4.748 -4.808 5.774 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.577 -3.068 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.366 -3.359 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.276 -2.040 7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.223 -1.452 5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.423 -2.697 5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.839 -1.056 4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.734 -0.004 5.444 1.00 0.00 H new ATOM 552 N GLU A 42 -3.324 -5.360 8.563 1.00 0.00 N ATOM 553 CA GLU A 42 -2.874 -6.001 9.793 1.00 0.00 C ATOM 554 C GLU A 42 -1.628 -6.845 9.543 1.00 0.00 C ATOM 555 O GLU A 42 -0.708 -6.870 10.360 1.00 0.00 O ATOM 556 CB GLU A 42 -3.987 -6.874 10.376 1.00 0.00 C ATOM 557 CG GLU A 42 -5.222 -6.091 10.789 1.00 0.00 C ATOM 558 CD GLU A 42 -5.112 -5.525 12.191 1.00 0.00 C ATOM 559 OE1 GLU A 42 -5.080 -6.323 13.151 1.00 0.00 O ATOM 560 OE2 GLU A 42 -5.058 -4.285 12.329 1.00 0.00 O ATOM 0 H GLU A 42 -4.067 -5.860 8.074 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.623 -5.219 10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.273 -7.624 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.600 -7.410 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.383 -5.276 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.096 -6.740 10.731 1.00 0.00 H new ATOM 567 N ARG A 43 -1.607 -7.536 8.408 1.00 0.00 N ATOM 568 CA ARG A 43 -0.475 -8.384 8.051 1.00 0.00 C ATOM 569 C ARG A 43 0.839 -7.621 8.184 1.00 0.00 C ATOM 570 O ARG A 43 1.864 -8.190 8.558 1.00 0.00 O ATOM 571 CB ARG A 43 -0.632 -8.904 6.621 1.00 0.00 C ATOM 572 CG ARG A 43 -1.496 -10.150 6.517 1.00 0.00 C ATOM 573 CD ARG A 43 -1.250 -10.892 5.213 1.00 0.00 C ATOM 574 NE ARG A 43 -0.105 -11.793 5.303 1.00 0.00 N ATOM 575 CZ ARG A 43 0.177 -12.717 4.390 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.599 -12.859 3.325 1.00 0.00 N ATOM 577 NH2 ARG A 43 1.238 -13.499 4.543 1.00 0.00 N ATOM 0 H ARG A 43 -2.360 -7.526 7.720 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.455 -9.230 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.067 -8.118 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.355 -9.121 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.286 -10.811 7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.548 -9.871 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.140 -11.462 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.082 -10.172 4.412 1.00 0.00 H new ATOM 0 HE ARG A 43 0.512 -11.709 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.415 -12.259 3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.381 -13.569 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.837 -13.391 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.454 -14.208 3.842 1.00 0.00 H new ATOM 591 N ALA A 44 0.801 -6.328 7.875 1.00 0.00 N ATOM 592 CA ALA A 44 1.988 -5.487 7.962 1.00 0.00 C ATOM 593 C ALA A 44 1.853 -4.460 9.081 1.00 0.00 C ATOM 594 O ALA A 44 2.842 -4.061 9.694 1.00 0.00 O ATOM 595 CB ALA A 44 2.241 -4.792 6.633 1.00 0.00 C ATOM 0 H ALA A 44 -0.039 -5.841 7.562 1.00 0.00 H new ATOM 0 HA ALA A 44 2.840 -6.127 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.131 -4.167 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.391 -5.540 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.383 -4.170 6.378 1.00 0.00 H new ATOM 601 N GLY A 45 0.620 -4.036 9.343 1.00 0.00 N ATOM 602 CA GLY A 45 0.378 -3.058 10.388 1.00 0.00 C ATOM 603 C GLY A 45 0.349 -1.638 9.858 1.00 0.00 C ATOM 604 O GLY A 45 0.921 -0.730 10.461 1.00 0.00 O ATOM 0 H GLY A 45 -0.215 -4.352 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.571 -3.280 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.155 -3.143 11.148 1.00 0.00 H new ATOM 608 N VAL A 46 -0.319 -1.445 8.724 1.00 0.00 N ATOM 609 CA VAL A 46 -0.420 -0.125 8.112 1.00 0.00 C ATOM 610 C VAL A 46 -1.785 0.076 7.464 1.00 0.00 C ATOM 611 O VAL A 46 -2.465 -0.887 7.109 1.00 0.00 O ATOM 612 CB VAL A 46 0.677 0.087 7.051 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.057 -0.054 7.675 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.500 -0.892 5.900 1.00 0.00 C ATOM 0 H VAL A 46 -0.798 -2.186 8.211 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.289 0.606 8.910 1.00 0.00 H new ATOM 0 HB VAL A 46 0.586 1.098 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.819 0.099 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.178 0.690 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.164 -1.052 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.283 -0.729 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.565 -1.913 6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.475 -0.737 5.437 1.00 0.00 H new ATOM 624 N LYS A 47 -2.181 1.335 7.311 1.00 0.00 N ATOM 625 CA LYS A 47 -3.464 1.666 6.703 1.00 0.00 C ATOM 626 C LYS A 47 -3.321 1.851 5.196 1.00 0.00 C ATOM 627 O LYS A 47 -2.598 2.735 4.736 1.00 0.00 O ATOM 628 CB LYS A 47 -4.037 2.938 7.332 1.00 0.00 C ATOM 629 CG LYS A 47 -5.555 2.968 7.369 1.00 0.00 C ATOM 630 CD LYS A 47 -6.079 4.377 7.591 1.00 0.00 C ATOM 631 CE LYS A 47 -7.488 4.540 7.043 1.00 0.00 C ATOM 632 NZ LYS A 47 -8.491 3.806 7.863 1.00 0.00 N ATOM 0 H LYS A 47 -1.631 2.144 7.600 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.148 0.838 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.655 3.034 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.678 3.803 6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.951 2.575 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.914 2.316 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.073 4.605 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.415 5.094 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.746 5.599 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.522 4.176 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.438 3.942 7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.259 2.792 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.477 4.170 8.837 1.00 0.00 H new ATOM 646 N MET A 48 -4.015 1.013 4.433 1.00 0.00 N ATOM 647 CA MET A 48 -3.966 1.087 2.977 1.00 0.00 C ATOM 648 C MET A 48 -5.177 1.837 2.430 1.00 0.00 C ATOM 649 O MET A 48 -6.312 1.377 2.553 1.00 0.00 O ATOM 650 CB MET A 48 -3.907 -0.318 2.375 1.00 0.00 C ATOM 651 CG MET A 48 -2.515 -0.928 2.391 1.00 0.00 C ATOM 652 SD MET A 48 -2.495 -2.628 1.789 1.00 0.00 S ATOM 653 CE MET A 48 -0.908 -3.186 2.404 1.00 0.00 C ATOM 0 H MET A 48 -4.618 0.275 4.798 1.00 0.00 H new ATOM 0 HA MET A 48 -3.065 1.633 2.696 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.586 -0.969 2.925 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.266 -0.279 1.347 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.850 -0.321 1.777 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.123 -0.902 3.408 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.701 -4.186 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.128 -2.502 2.070 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.928 -3.210 3.494 1.00 0.00 H new ATOM 663 N VAL A 49 -4.927 2.995 1.826 1.00 0.00 N ATOM 664 CA VAL A 49 -5.996 3.808 1.259 1.00 0.00 C ATOM 665 C VAL A 49 -5.731 4.118 -0.209 1.00 0.00 C ATOM 666 O VAL A 49 -4.725 4.738 -0.551 1.00 0.00 O ATOM 667 CB VAL A 49 -6.164 5.131 2.030 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.233 5.996 1.381 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.501 4.858 3.489 1.00 0.00 C ATOM 0 H VAL A 49 -3.993 3.391 1.717 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.914 3.227 1.344 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.220 5.674 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.337 6.926 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.946 6.220 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.184 5.463 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.616 5.804 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.431 4.293 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.697 4.281 3.946 1.00 0.00 H new ATOM 679 N MET A 50 -6.642 3.684 -1.074 1.00 0.00 N ATOM 680 CA MET A 50 -6.508 3.917 -2.507 1.00 0.00 C ATOM 681 C MET A 50 -6.978 5.320 -2.876 1.00 0.00 C ATOM 682 O MET A 50 -8.118 5.696 -2.599 1.00 0.00 O ATOM 683 CB MET A 50 -7.308 2.876 -3.292 1.00 0.00 C ATOM 684 CG MET A 50 -6.683 1.490 -3.275 1.00 0.00 C ATOM 685 SD MET A 50 -5.551 1.221 -4.653 1.00 0.00 S ATOM 686 CE MET A 50 -5.128 -0.502 -4.413 1.00 0.00 C ATOM 0 H MET A 50 -7.481 3.169 -0.807 1.00 0.00 H new ATOM 0 HA MET A 50 -5.453 3.826 -2.767 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.315 2.817 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.406 3.209 -4.325 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.147 1.349 -2.337 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.473 0.739 -3.307 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.052 -0.632 -4.527 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.427 -0.814 -3.412 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.648 -1.111 -5.153 1.00 0.00 H new ATOM 696 N ILE A 51 -6.094 6.090 -3.502 1.00 0.00 N ATOM 697 CA ILE A 51 -6.421 7.451 -3.908 1.00 0.00 C ATOM 698 C ILE A 51 -6.992 7.481 -5.322 1.00 0.00 C ATOM 699 O ILE A 51 -6.481 6.814 -6.222 1.00 0.00 O ATOM 700 CB ILE A 51 -5.185 8.369 -3.847 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.565 8.333 -2.448 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.563 9.792 -4.228 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.429 8.978 -1.388 1.00 0.00 C ATOM 0 H ILE A 51 -5.147 5.795 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.171 7.817 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.446 8.007 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.376 7.296 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.599 8.837 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.679 10.428 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.964 9.803 -5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.317 10.166 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.927 8.916 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.597 10.024 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.386 8.459 -1.334 1.00 0.00 H new ATOM 715 N GLN A 52 -8.052 8.259 -5.510 1.00 0.00 N ATOM 716 CA GLN A 52 -8.692 8.377 -6.815 1.00 0.00 C ATOM 717 C GLN A 52 -8.576 9.799 -7.352 1.00 0.00 C ATOM 718 O GLN A 52 -8.366 10.007 -8.547 1.00 0.00 O ATOM 719 CB GLN A 52 -10.164 7.971 -6.723 1.00 0.00 C ATOM 720 CG GLN A 52 -10.921 8.127 -8.032 1.00 0.00 C ATOM 721 CD GLN A 52 -12.359 7.659 -7.934 1.00 0.00 C ATOM 722 OE1 GLN A 52 -12.644 6.465 -8.040 1.00 0.00 O ATOM 723 NE2 GLN A 52 -13.275 8.598 -7.731 1.00 0.00 N ATOM 0 H GLN A 52 -8.486 8.817 -4.775 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.180 7.706 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.226 6.932 -6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.651 8.574 -5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.904 9.174 -8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.411 7.561 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.994 9.575 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.260 8.342 -7.657 1.00 0.00 H new ATOM 732 N ASP A 53 -8.716 10.775 -6.462 1.00 0.00 N ATOM 733 CA ASP A 53 -8.627 12.179 -6.847 1.00 0.00 C ATOM 734 C ASP A 53 -7.227 12.518 -7.348 1.00 0.00 C ATOM 735 O ASP A 53 -6.229 12.080 -6.776 1.00 0.00 O ATOM 736 CB ASP A 53 -8.990 13.078 -5.663 1.00 0.00 C ATOM 737 CG ASP A 53 -8.489 12.527 -4.343 1.00 0.00 C ATOM 738 OD1 ASP A 53 -7.257 12.409 -4.178 1.00 0.00 O ATOM 739 OD2 ASP A 53 -9.329 12.215 -3.474 1.00 0.00 O ATOM 0 H ASP A 53 -8.892 10.620 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.335 12.354 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.569 14.071 -5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.073 13.194 -5.617 1.00 0.00 H new ATOM 744 N GLY A 54 -7.160 13.299 -8.421 1.00 0.00 N ATOM 745 CA GLY A 54 -5.878 13.682 -8.982 1.00 0.00 C ATOM 746 C GLY A 54 -6.014 14.682 -10.113 1.00 0.00 C ATOM 747 O GLY A 54 -7.057 15.313 -10.289 1.00 0.00 O ATOM 0 H GLY A 54 -7.971 13.674 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.255 14.109 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.365 12.793 -9.348 1.00 0.00 H new ATOM 751 N PRO A 55 -4.941 14.840 -10.902 1.00 0.00 N ATOM 752 CA PRO A 55 -4.921 15.771 -12.034 1.00 0.00 C ATOM 753 C PRO A 55 -5.817 15.311 -13.179 1.00 0.00 C ATOM 754 O PRO A 55 -6.043 14.115 -13.359 1.00 0.00 O ATOM 755 CB PRO A 55 -3.453 15.769 -12.469 1.00 0.00 C ATOM 756 CG PRO A 55 -2.927 14.450 -12.017 1.00 0.00 C ATOM 757 CD PRO A 55 -3.665 14.121 -10.749 1.00 0.00 C ATOM 0 HA PRO A 55 -5.297 16.756 -11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.360 15.884 -13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.903 16.592 -12.012 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.092 13.684 -12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.852 14.498 -11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.819 13.047 -10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.118 14.455 -9.867 1.00 0.00 H new ATOM 765 N GLN A 56 -6.324 16.269 -13.949 1.00 0.00 N ATOM 766 CA GLN A 56 -7.195 15.960 -15.076 1.00 0.00 C ATOM 767 C GLN A 56 -6.782 14.652 -15.742 1.00 0.00 C ATOM 768 O GLN A 56 -7.567 13.708 -15.819 1.00 0.00 O ATOM 769 CB GLN A 56 -7.164 17.098 -16.098 1.00 0.00 C ATOM 770 CG GLN A 56 -7.848 18.367 -15.616 1.00 0.00 C ATOM 771 CD GLN A 56 -7.588 19.552 -16.526 1.00 0.00 C ATOM 772 OE1 GLN A 56 -6.536 19.644 -17.159 1.00 0.00 O ATOM 773 NE2 GLN A 56 -8.548 20.467 -16.596 1.00 0.00 N ATOM 0 H GLN A 56 -6.147 17.264 -13.813 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.211 15.848 -14.697 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.127 17.325 -16.345 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.644 16.763 -17.017 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.922 18.194 -15.550 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.500 18.603 -14.610 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.404 20.350 -16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.429 21.286 -17.192 1.00 0.00 H new ATOM 782 N ASN A 57 -5.543 14.603 -16.222 1.00 0.00 N ATOM 783 CA ASN A 57 -5.026 13.410 -16.882 1.00 0.00 C ATOM 784 C ASN A 57 -4.100 12.632 -15.952 1.00 0.00 C ATOM 785 O ASN A 57 -2.940 12.998 -15.762 1.00 0.00 O ATOM 786 CB ASN A 57 -4.277 13.793 -18.160 1.00 0.00 C ATOM 787 CG ASN A 57 -3.595 12.605 -18.809 1.00 0.00 C ATOM 788 OD1 ASN A 57 -4.252 11.734 -19.381 1.00 0.00 O ATOM 789 ND2 ASN A 57 -2.271 12.563 -18.723 1.00 0.00 N ATOM 0 H ASN A 57 -4.879 15.375 -16.166 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.872 12.773 -17.141 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.976 14.238 -18.868 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.532 14.553 -17.927 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.757 11.787 -19.141 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.767 13.307 -18.239 1.00 0.00 H new ATOM 796 N THR A 58 -4.621 11.554 -15.373 1.00 0.00 N ATOM 797 CA THR A 58 -3.843 10.724 -14.462 1.00 0.00 C ATOM 798 C THR A 58 -3.260 9.514 -15.184 1.00 0.00 C ATOM 799 O THR A 58 -2.106 9.147 -14.967 1.00 0.00 O ATOM 800 CB THR A 58 -4.698 10.237 -13.277 1.00 0.00 C ATOM 801 OG1 THR A 58 -5.801 9.459 -13.755 1.00 0.00 O ATOM 802 CG2 THR A 58 -5.215 11.414 -12.463 1.00 0.00 C ATOM 0 H THR A 58 -5.579 11.236 -15.519 1.00 0.00 H new ATOM 0 HA THR A 58 -3.031 11.345 -14.084 1.00 0.00 H new ATOM 0 HB THR A 58 -4.071 9.619 -12.635 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.338 9.152 -12.995 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.816 11.045 -11.632 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.372 11.987 -12.076 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.828 12.054 -13.098 1.00 0.00 H new ATOM 810 N GLY A 59 -4.065 8.898 -16.044 1.00 0.00 N ATOM 811 CA GLY A 59 -3.610 7.737 -16.785 1.00 0.00 C ATOM 812 C GLY A 59 -4.520 6.538 -16.601 1.00 0.00 C ATOM 813 O GLY A 59 -5.731 6.689 -16.442 1.00 0.00 O ATOM 0 H GLY A 59 -5.025 9.183 -16.241 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.552 7.986 -17.845 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.602 7.477 -16.463 1.00 0.00 H new ATOM 817 N ALA A 60 -3.936 5.345 -16.623 1.00 0.00 N ATOM 818 CA ALA A 60 -4.702 4.116 -16.457 1.00 0.00 C ATOM 819 C ALA A 60 -4.286 3.377 -15.190 1.00 0.00 C ATOM 820 O ALA A 60 -4.269 2.147 -15.155 1.00 0.00 O ATOM 821 CB ALA A 60 -4.531 3.219 -17.674 1.00 0.00 C ATOM 0 H ALA A 60 -2.934 5.203 -16.754 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.754 4.383 -16.361 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.108 2.305 -17.536 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.884 3.741 -18.563 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.477 2.968 -17.796 1.00 0.00 H new ATOM 827 N ASP A 61 -3.951 4.135 -14.151 1.00 0.00 N ATOM 828 CA ASP A 61 -3.535 3.552 -12.881 1.00 0.00 C ATOM 829 C ASP A 61 -4.151 4.308 -11.708 1.00 0.00 C ATOM 830 O ASP A 61 -4.776 5.354 -11.889 1.00 0.00 O ATOM 831 CB ASP A 61 -2.010 3.561 -12.766 1.00 0.00 C ATOM 832 CG ASP A 61 -1.336 2.910 -13.958 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.109 3.611 -14.966 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.036 1.700 -13.883 1.00 0.00 O ATOM 0 H ASP A 61 -3.960 5.155 -14.164 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.887 2.521 -12.850 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.662 4.590 -12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.714 3.040 -11.856 1.00 0.00 H new ATOM 839 N LYS A 62 -3.971 3.773 -10.506 1.00 0.00 N ATOM 840 CA LYS A 62 -4.507 4.397 -9.302 1.00 0.00 C ATOM 841 C LYS A 62 -3.449 4.463 -8.205 1.00 0.00 C ATOM 842 O LYS A 62 -2.928 3.444 -7.751 1.00 0.00 O ATOM 843 CB LYS A 62 -5.728 3.621 -8.802 1.00 0.00 C ATOM 844 CG LYS A 62 -6.747 3.324 -9.888 1.00 0.00 C ATOM 845 CD LYS A 62 -7.781 4.431 -10.002 1.00 0.00 C ATOM 846 CE LYS A 62 -9.072 3.926 -10.627 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.913 3.189 -9.643 1.00 0.00 N ATOM 0 H LYS A 62 -3.457 2.908 -10.339 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.808 5.414 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.395 2.681 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.211 4.192 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.237 3.202 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.246 2.380 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.990 4.839 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.378 5.246 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.636 4.769 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.837 3.272 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.784 2.861 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.385 2.370 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.158 3.821 -8.854 1.00 0.00 H new ATOM 861 N PRO A 63 -3.125 5.688 -7.768 1.00 0.00 N ATOM 862 CA PRO A 63 -2.128 5.916 -6.717 1.00 0.00 C ATOM 863 C PRO A 63 -2.611 5.448 -5.349 1.00 0.00 C ATOM 864 O PRO A 63 -3.514 6.045 -4.761 1.00 0.00 O ATOM 865 CB PRO A 63 -1.941 7.435 -6.728 1.00 0.00 C ATOM 866 CG PRO A 63 -3.219 7.970 -7.276 1.00 0.00 C ATOM 867 CD PRO A 63 -3.706 6.947 -8.264 1.00 0.00 C ATOM 0 HA PRO A 63 -1.209 5.359 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.749 7.818 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.092 7.725 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.950 8.125 -6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.063 8.935 -7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.795 6.903 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.369 7.174 -9.276 1.00 0.00 H new ATOM 875 N LEU A 64 -2.004 4.379 -4.846 1.00 0.00 N ATOM 876 CA LEU A 64 -2.372 3.831 -3.545 1.00 0.00 C ATOM 877 C LEU A 64 -1.507 4.427 -2.439 1.00 0.00 C ATOM 878 O LEU A 64 -0.279 4.347 -2.486 1.00 0.00 O ATOM 879 CB LEU A 64 -2.232 2.308 -3.553 1.00 0.00 C ATOM 880 CG LEU A 64 -2.002 1.648 -2.193 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.232 1.797 -1.311 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.643 0.179 -2.367 1.00 0.00 C ATOM 0 H LEU A 64 -1.255 3.874 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.412 4.093 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.134 1.883 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.402 2.043 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.167 2.150 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.049 1.321 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.444 2.855 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.086 1.322 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.483 -0.275 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.457 -0.336 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.732 0.095 -2.960 1.00 0.00 H new ATOM 894 N ARG A 65 -2.155 5.022 -1.443 1.00 0.00 N ATOM 895 CA ARG A 65 -1.445 5.630 -0.324 1.00 0.00 C ATOM 896 C ARG A 65 -1.422 4.692 0.879 1.00 0.00 C ATOM 897 O ARG A 65 -2.468 4.249 1.353 1.00 0.00 O ATOM 898 CB ARG A 65 -2.100 6.957 0.062 1.00 0.00 C ATOM 899 CG ARG A 65 -1.238 7.820 0.970 1.00 0.00 C ATOM 900 CD ARG A 65 -2.084 8.776 1.797 1.00 0.00 C ATOM 901 NE ARG A 65 -1.305 9.907 2.292 1.00 0.00 N ATOM 902 CZ ARG A 65 -0.912 10.920 1.527 1.00 0.00 C ATOM 903 NH1 ARG A 65 -1.225 10.942 0.239 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.206 11.914 2.051 1.00 0.00 N ATOM 0 H ARG A 65 -3.171 5.096 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.418 5.817 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.331 7.516 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.048 6.753 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.654 7.182 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.529 8.388 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.912 9.144 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.519 8.239 2.640 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.048 9.920 3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.769 10.180 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.922 11.721 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.036 11.901 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.095 12.691 1.463 1.00 0.00 H new ATOM 918 N ILE A 66 -0.223 4.394 1.367 1.00 0.00 N ATOM 919 CA ILE A 66 -0.064 3.510 2.515 1.00 0.00 C ATOM 920 C ILE A 66 0.556 4.249 3.697 1.00 0.00 C ATOM 921 O ILE A 66 1.752 4.542 3.702 1.00 0.00 O ATOM 922 CB ILE A 66 0.812 2.291 2.170 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.238 1.549 0.961 1.00 0.00 C ATOM 924 CG2 ILE A 66 0.918 1.359 3.368 1.00 0.00 C ATOM 925 CD1 ILE A 66 0.944 0.245 0.661 1.00 0.00 C ATOM 0 H ILE A 66 0.653 4.752 0.985 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.061 3.165 2.788 1.00 0.00 H new ATOM 0 HB ILE A 66 1.813 2.641 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.819 1.349 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.299 2.196 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.540 0.502 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.367 1.893 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.077 1.013 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.484 -0.226 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.996 0.440 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.861 -0.420 1.521 1.00 0.00 H new ATOM 937 N THR A 67 -0.266 4.545 4.699 1.00 0.00 N ATOM 938 CA THR A 67 0.201 5.249 5.887 1.00 0.00 C ATOM 939 C THR A 67 0.442 4.281 7.040 1.00 0.00 C ATOM 940 O THR A 67 -0.180 3.223 7.115 1.00 0.00 O ATOM 941 CB THR A 67 -0.808 6.323 6.336 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.134 5.940 5.955 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.469 7.674 5.722 1.00 0.00 C ATOM 0 H THR A 67 -1.258 4.308 4.711 1.00 0.00 H new ATOM 0 HA THR A 67 1.140 5.733 5.619 1.00 0.00 H new ATOM 0 HB THR A 67 -0.753 6.410 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.769 6.627 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.195 8.417 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.529 7.977 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.498 7.597 4.635 1.00 0.00 H new ATOM 951 N GLY A 68 1.349 4.653 7.938 1.00 0.00 N ATOM 952 CA GLY A 68 1.655 3.806 9.076 1.00 0.00 C ATOM 953 C GLY A 68 3.011 4.116 9.681 1.00 0.00 C ATOM 954 O GLY A 68 3.170 5.112 10.387 1.00 0.00 O ATOM 0 H GLY A 68 1.877 5.525 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.884 3.931 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.629 2.762 8.765 1.00 0.00 H new ATOM 958 N ASP A 69 3.989 3.260 9.405 1.00 0.00 N ATOM 959 CA ASP A 69 5.338 3.447 9.928 1.00 0.00 C ATOM 960 C ASP A 69 6.369 3.379 8.806 1.00 0.00 C ATOM 961 O ASP A 69 6.125 2.815 7.739 1.00 0.00 O ATOM 962 CB ASP A 69 5.648 2.389 10.987 1.00 0.00 C ATOM 963 CG ASP A 69 5.291 2.849 12.387 1.00 0.00 C ATOM 964 OD1 ASP A 69 5.701 3.965 12.767 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.601 2.092 13.103 1.00 0.00 O ATOM 0 H ASP A 69 3.873 2.431 8.823 1.00 0.00 H new ATOM 0 HA ASP A 69 5.390 4.435 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.098 1.476 10.756 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.709 2.141 10.949 1.00 0.00 H new ATOM 970 N PRO A 70 7.549 3.968 9.050 1.00 0.00 N ATOM 971 CA PRO A 70 8.641 3.988 8.072 1.00 0.00 C ATOM 972 C PRO A 70 9.260 2.610 7.866 1.00 0.00 C ATOM 973 O PRO A 70 9.764 2.300 6.786 1.00 0.00 O ATOM 974 CB PRO A 70 9.659 4.944 8.698 1.00 0.00 C ATOM 975 CG PRO A 70 9.389 4.881 10.161 1.00 0.00 C ATOM 976 CD PRO A 70 7.908 4.659 10.300 1.00 0.00 C ATOM 0 HA PRO A 70 8.298 4.295 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.680 4.639 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.537 5.958 8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.950 4.071 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.693 5.804 10.654 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.673 4.054 11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.369 5.600 10.408 1.00 0.00 H new ATOM 984 N TYR A 71 9.220 1.787 8.908 1.00 0.00 N ATOM 985 CA TYR A 71 9.779 0.442 8.841 1.00 0.00 C ATOM 986 C TYR A 71 8.710 -0.574 8.450 1.00 0.00 C ATOM 987 O TYR A 71 9.020 -1.668 7.979 1.00 0.00 O ATOM 988 CB TYR A 71 10.397 0.057 10.186 1.00 0.00 C ATOM 989 CG TYR A 71 10.992 -1.333 10.204 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.183 -2.455 10.340 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.363 -1.524 10.083 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.723 -3.726 10.357 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.911 -2.792 10.097 1.00 0.00 C ATOM 994 CZ TYR A 71 12.087 -3.890 10.235 1.00 0.00 C ATOM 995 OH TYR A 71 12.629 -5.155 10.250 1.00 0.00 O ATOM 0 H TYR A 71 8.806 2.028 9.809 1.00 0.00 H new ATOM 0 HA TYR A 71 10.556 0.436 8.076 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.174 0.779 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.633 0.126 10.960 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.114 -2.331 10.434 1.00 0.00 H new ATOM 0 HD2 TYR A 71 13.011 -0.667 9.976 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.080 -4.587 10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.979 -2.923 10.000 1.00 0.00 H new ATOM 0 HH TYR A 71 13.602 -5.095 10.152 1.00 0.00 H new ATOM 1005 N LYS A 72 7.450 -0.202 8.648 1.00 0.00 N ATOM 1006 CA LYS A 72 6.333 -1.078 8.315 1.00 0.00 C ATOM 1007 C LYS A 72 5.802 -0.776 6.917 1.00 0.00 C ATOM 1008 O LYS A 72 5.720 -1.663 6.068 1.00 0.00 O ATOM 1009 CB LYS A 72 5.210 -0.920 9.343 1.00 0.00 C ATOM 1010 CG LYS A 72 5.674 -1.085 10.780 1.00 0.00 C ATOM 1011 CD LYS A 72 4.512 -1.395 11.709 1.00 0.00 C ATOM 1012 CE LYS A 72 4.269 -2.892 11.816 1.00 0.00 C ATOM 1013 NZ LYS A 72 5.057 -3.505 12.921 1.00 0.00 N ATOM 0 H LYS A 72 7.177 0.700 9.037 1.00 0.00 H new ATOM 0 HA LYS A 72 6.693 -2.107 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.758 0.065 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.432 -1.654 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.410 -1.887 10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.171 -0.173 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.717 -0.987 12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.611 -0.904 11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.208 -3.077 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.533 -3.371 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.863 -4.526 12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.071 -3.351 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.787 -3.066 13.825 1.00 0.00 H new ATOM 1027 N VAL A 73 5.445 0.483 6.684 1.00 0.00 N ATOM 1028 CA VAL A 73 4.925 0.903 5.388 1.00 0.00 C ATOM 1029 C VAL A 73 5.790 0.372 4.251 1.00 0.00 C ATOM 1030 O VAL A 73 5.278 -0.156 3.264 1.00 0.00 O ATOM 1031 CB VAL A 73 4.846 2.438 5.285 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.543 2.863 3.857 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.799 2.983 6.245 1.00 0.00 C ATOM 0 H VAL A 73 5.506 1.230 7.376 1.00 0.00 H new ATOM 0 HA VAL A 73 3.921 0.489 5.301 1.00 0.00 H new ATOM 0 HB VAL A 73 5.814 2.853 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.491 3.950 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.332 2.505 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.588 2.439 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.757 4.069 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.825 2.561 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.065 2.710 7.266 1.00 0.00 H new ATOM 1043 N GLN A 74 7.103 0.516 4.397 1.00 0.00 N ATOM 1044 CA GLN A 74 8.040 0.050 3.381 1.00 0.00 C ATOM 1045 C GLN A 74 7.801 -1.420 3.052 1.00 0.00 C ATOM 1046 O GLN A 74 7.982 -1.847 1.913 1.00 0.00 O ATOM 1047 CB GLN A 74 9.480 0.252 3.855 1.00 0.00 C ATOM 1048 CG GLN A 74 9.798 -0.465 5.157 1.00 0.00 C ATOM 1049 CD GLN A 74 11.288 -0.635 5.381 1.00 0.00 C ATOM 1050 OE1 GLN A 74 11.758 -1.875 5.325 1.00 0.00 O flip ATOM 1051 NE2 GLN A 74 12.009 0.339 5.603 1.00 0.00 N flip ATOM 0 H GLN A 74 7.542 0.951 5.208 1.00 0.00 H new ATOM 0 HA GLN A 74 7.877 0.636 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.161 -0.100 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.666 1.319 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.371 0.095 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.321 -1.445 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.605 1.275 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 74 13.010 0.209 5.752 1.00 0.00 H new ATOM 1060 N GLN A 75 7.394 -2.187 4.058 1.00 0.00 N ATOM 1061 CA GLN A 75 7.131 -3.610 3.875 1.00 0.00 C ATOM 1062 C GLN A 75 5.790 -3.831 3.183 1.00 0.00 C ATOM 1063 O GLN A 75 5.725 -4.438 2.115 1.00 0.00 O ATOM 1064 CB GLN A 75 7.147 -4.330 5.225 1.00 0.00 C ATOM 1065 CG GLN A 75 8.520 -4.371 5.877 1.00 0.00 C ATOM 1066 CD GLN A 75 9.442 -5.387 5.232 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.373 -6.580 5.527 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.313 -4.918 4.346 1.00 0.00 N ATOM 0 H GLN A 75 7.239 -1.848 5.007 1.00 0.00 H new ATOM 0 HA GLN A 75 7.917 -4.021 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.448 -3.835 5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.789 -5.350 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.976 -3.383 5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.409 -4.607 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.336 -3.921 4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.959 -5.555 3.880 1.00 0.00 H new ATOM 1077 N ALA A 76 4.723 -3.335 3.799 1.00 0.00 N ATOM 1078 CA ALA A 76 3.384 -3.477 3.241 1.00 0.00 C ATOM 1079 C ALA A 76 3.362 -3.104 1.763 1.00 0.00 C ATOM 1080 O ALA A 76 2.617 -3.687 0.975 1.00 0.00 O ATOM 1081 CB ALA A 76 2.394 -2.621 4.018 1.00 0.00 C ATOM 0 H ALA A 76 4.759 -2.831 4.685 1.00 0.00 H new ATOM 0 HA ALA A 76 3.091 -4.523 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.398 -2.737 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.380 -2.937 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.694 -1.575 3.960 1.00 0.00 H new ATOM 1087 N LYS A 77 4.184 -2.128 1.392 1.00 0.00 N ATOM 1088 CA LYS A 77 4.261 -1.677 0.008 1.00 0.00 C ATOM 1089 C LYS A 77 4.591 -2.837 -0.926 1.00 0.00 C ATOM 1090 O LYS A 77 4.121 -2.884 -2.062 1.00 0.00 O ATOM 1091 CB LYS A 77 5.317 -0.579 -0.134 1.00 0.00 C ATOM 1092 CG LYS A 77 5.863 -0.438 -1.545 1.00 0.00 C ATOM 1093 CD LYS A 77 7.035 0.527 -1.595 1.00 0.00 C ATOM 1094 CE LYS A 77 8.333 -0.149 -1.182 1.00 0.00 C ATOM 1095 NZ LYS A 77 9.486 0.793 -1.217 1.00 0.00 N ATOM 0 H LYS A 77 4.807 -1.634 2.031 1.00 0.00 H new ATOM 0 HA LYS A 77 3.287 -1.275 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.884 0.372 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.142 -0.790 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.178 -1.414 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.073 -0.087 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.136 0.925 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.839 1.373 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.227 -0.555 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.531 -0.990 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.351 0.293 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.604 1.161 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.309 1.583 -0.564 1.00 0.00 H new ATOM 1109 N GLU A 78 5.400 -3.772 -0.437 1.00 0.00 N ATOM 1110 CA GLU A 78 5.791 -4.933 -1.229 1.00 0.00 C ATOM 1111 C GLU A 78 4.636 -5.924 -1.348 1.00 0.00 C ATOM 1112 O GLU A 78 4.461 -6.566 -2.383 1.00 0.00 O ATOM 1113 CB GLU A 78 7.005 -5.621 -0.601 1.00 0.00 C ATOM 1114 CG GLU A 78 8.221 -4.718 -0.481 1.00 0.00 C ATOM 1115 CD GLU A 78 9.509 -5.496 -0.291 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.448 -6.620 0.251 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.577 -4.982 -0.684 1.00 0.00 O ATOM 0 H GLU A 78 5.797 -3.748 0.502 1.00 0.00 H new ATOM 0 HA GLU A 78 6.055 -4.587 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.734 -5.985 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.268 -6.493 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.302 -4.102 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.083 -4.039 0.361 1.00 0.00 H new ATOM 1124 N MET A 79 3.853 -6.042 -0.281 1.00 0.00 N ATOM 1125 CA MET A 79 2.715 -6.954 -0.266 1.00 0.00 C ATOM 1126 C MET A 79 1.705 -6.581 -1.347 1.00 0.00 C ATOM 1127 O MET A 79 1.212 -7.443 -2.074 1.00 0.00 O ATOM 1128 CB MET A 79 2.040 -6.938 1.106 1.00 0.00 C ATOM 1129 CG MET A 79 2.788 -7.738 2.161 1.00 0.00 C ATOM 1130 SD MET A 79 1.698 -8.390 3.441 1.00 0.00 S ATOM 1131 CE MET A 79 0.916 -6.885 4.018 1.00 0.00 C ATOM 0 H MET A 79 3.985 -5.518 0.584 1.00 0.00 H new ATOM 0 HA MET A 79 3.084 -7.959 -0.470 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.946 -5.906 1.443 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.030 -7.335 1.009 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.313 -8.564 1.681 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.546 -7.104 2.622 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.786 -6.934 5.099 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.543 -6.030 3.766 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.057 -6.774 3.540 1.00 0.00 H new ATOM 1141 N VAL A 80 1.402 -5.291 -1.448 1.00 0.00 N ATOM 1142 CA VAL A 80 0.452 -4.804 -2.440 1.00 0.00 C ATOM 1143 C VAL A 80 1.033 -4.892 -3.847 1.00 0.00 C ATOM 1144 O VAL A 80 0.421 -5.468 -4.748 1.00 0.00 O ATOM 1145 CB VAL A 80 0.041 -3.346 -2.157 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.097 -2.924 -3.073 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.349 -3.178 -0.696 1.00 0.00 C ATOM 0 H VAL A 80 1.801 -4.564 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.429 -5.442 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 80 0.895 -2.700 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.373 -1.892 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.777 -3.005 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.957 -3.572 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.637 -2.143 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.189 -3.834 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.498 -3.437 -0.061 1.00 0.00 H new ATOM 1157 N LEU A 81 2.217 -4.318 -4.029 1.00 0.00 N ATOM 1158 CA LEU A 81 2.882 -4.331 -5.327 1.00 0.00 C ATOM 1159 C LEU A 81 2.937 -5.746 -5.896 1.00 0.00 C ATOM 1160 O LEU A 81 2.655 -5.962 -7.074 1.00 0.00 O ATOM 1161 CB LEU A 81 4.297 -3.764 -5.203 1.00 0.00 C ATOM 1162 CG LEU A 81 4.399 -2.250 -5.014 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.806 -1.857 -4.594 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.000 -1.525 -6.292 1.00 0.00 C ATOM 0 H LEU A 81 2.736 -3.838 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 81 2.306 -3.706 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.789 -4.249 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.856 -4.037 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 81 3.711 -1.955 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.858 -0.776 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.055 -2.348 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.515 -2.165 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.078 -0.449 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.663 -1.826 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.972 -1.781 -6.550 1.00 0.00 H new ATOM 1176 N GLU A 82 3.301 -6.704 -5.049 1.00 0.00 N ATOM 1177 CA GLU A 82 3.391 -8.098 -5.468 1.00 0.00 C ATOM 1178 C GLU A 82 2.010 -8.659 -5.796 1.00 0.00 C ATOM 1179 O GLU A 82 1.876 -9.570 -6.614 1.00 0.00 O ATOM 1180 CB GLU A 82 4.049 -8.941 -4.374 1.00 0.00 C ATOM 1181 CG GLU A 82 4.520 -10.303 -4.855 1.00 0.00 C ATOM 1182 CD GLU A 82 3.371 -11.256 -5.126 1.00 0.00 C ATOM 1183 OE1 GLU A 82 2.477 -11.369 -4.262 1.00 0.00 O ATOM 1184 OE2 GLU A 82 3.367 -11.887 -6.204 1.00 0.00 O ATOM 0 H GLU A 82 3.538 -6.541 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 82 4.004 -8.141 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.900 -8.394 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.340 -9.079 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.107 -10.180 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.181 -10.740 -4.106 1.00 0.00 H new ATOM 1191 N LEU A 83 0.987 -8.107 -5.153 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.385 -8.551 -5.375 1.00 0.00 C ATOM 1193 C LEU A 83 -0.813 -8.298 -6.817 1.00 0.00 C ATOM 1194 O LEU A 83 -1.592 -9.062 -7.388 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.336 -7.834 -4.416 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.641 -8.562 -4.095 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.462 -8.768 -5.359 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.357 -9.895 -3.419 1.00 0.00 C ATOM 0 H LEU A 83 1.081 -7.352 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.428 -9.624 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.807 -7.650 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.581 -6.860 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.219 -7.945 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.387 -9.288 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.697 -7.800 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.891 -9.364 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.298 -10.399 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.758 -10.519 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.811 -9.723 -2.491 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.296 -7.222 -7.402 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.623 -6.870 -8.778 1.00 0.00 C ATOM 1212 C ILE A 84 0.346 -7.524 -9.757 1.00 0.00 C ATOM 1213 O ILE A 84 0.008 -7.758 -10.917 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.597 -5.345 -8.990 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.800 -4.791 -8.704 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.633 -4.669 -8.103 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.132 -3.548 -9.500 1.00 0.00 C ATOM 0 H ILE A 84 0.351 -6.580 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.631 -7.238 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.844 -5.134 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.881 -4.564 -7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.539 -5.561 -8.923 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.602 -3.591 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.626 -5.045 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.414 -4.886 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.137 -3.211 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.083 -3.774 -10.565 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.415 -2.762 -9.263 1.00 0.00 H new ATOM 1229 N ARG A 85 1.552 -7.819 -9.281 1.00 0.00 N ATOM 1230 CA ARG A 85 2.570 -8.447 -10.114 1.00 0.00 C ATOM 1231 C ARG A 85 2.307 -9.943 -10.257 1.00 0.00 C ATOM 1232 O ARG A 85 2.855 -10.754 -9.510 1.00 0.00 O ATOM 1233 CB ARG A 85 3.960 -8.217 -9.518 1.00 0.00 C ATOM 1234 CG ARG A 85 4.512 -6.826 -9.781 1.00 0.00 C ATOM 1235 CD ARG A 85 6.032 -6.811 -9.729 1.00 0.00 C ATOM 1236 NE ARG A 85 6.583 -5.533 -10.173 1.00 0.00 N ATOM 1237 CZ ARG A 85 6.612 -4.442 -9.416 1.00 0.00 C ATOM 1238 NH1 ARG A 85 6.124 -4.473 -8.184 1.00 0.00 N ATOM 1239 NH2 ARG A 85 7.129 -3.317 -9.892 1.00 0.00 N ATOM 0 H ARG A 85 1.847 -7.633 -8.323 1.00 0.00 H new ATOM 0 HA ARG A 85 2.527 -7.991 -11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.917 -8.384 -8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.649 -8.956 -9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.177 -6.479 -10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.115 -6.130 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.362 -7.013 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.424 -7.612 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 85 6.967 -5.475 -11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.725 -5.336 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.148 -3.634 -7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.505 -3.289 -10.840 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.151 -2.480 -9.310 1.00 0.00 H new ATOM 1253 N ASP A 86 1.467 -10.301 -11.221 1.00 0.00 N ATOM 1254 CA ASP A 86 1.132 -11.700 -11.463 1.00 0.00 C ATOM 1255 C ASP A 86 1.250 -12.038 -12.946 1.00 0.00 C ATOM 1256 O ASP A 86 0.406 -11.644 -13.750 1.00 0.00 O ATOM 1257 CB ASP A 86 -0.284 -12.000 -10.969 1.00 0.00 C ATOM 1258 CG ASP A 86 -0.489 -13.469 -10.655 1.00 0.00 C ATOM 1259 OD1 ASP A 86 0.249 -14.001 -9.800 1.00 0.00 O ATOM 1260 OD2 ASP A 86 -1.386 -14.088 -11.265 1.00 0.00 O ATOM 0 H ASP A 86 1.005 -9.642 -11.848 1.00 0.00 H new ATOM 0 HA ASP A 86 1.839 -12.319 -10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.487 -11.409 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.003 -11.690 -11.727 1.00 0.00 H new ATOM 1265 N GLN A 87 2.302 -12.770 -13.299 1.00 0.00 N ATOM 1266 CA GLN A 87 2.530 -13.159 -14.686 1.00 0.00 C ATOM 1267 C GLN A 87 2.854 -14.645 -14.787 1.00 0.00 C ATOM 1268 O GLN A 87 3.316 -15.258 -13.826 1.00 0.00 O ATOM 1269 CB GLN A 87 3.669 -12.334 -15.288 1.00 0.00 C ATOM 1270 CG GLN A 87 3.273 -10.907 -15.628 1.00 0.00 C ATOM 1271 CD GLN A 87 3.177 -10.019 -14.403 1.00 0.00 C ATOM 1272 OE1 GLN A 87 4.103 -9.958 -13.593 1.00 0.00 O ATOM 1273 NE2 GLN A 87 2.054 -9.326 -14.260 1.00 0.00 N ATOM 0 H GLN A 87 3.009 -13.105 -12.645 1.00 0.00 H new ATOM 0 HA GLN A 87 1.616 -12.966 -15.247 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.502 -12.313 -14.585 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.026 -12.828 -16.192 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.003 -10.487 -16.320 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.312 -10.914 -16.143 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.313 -9.407 -14.956 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.932 -8.712 -13.454 1.00 0.00 H new ATOM 1282 N GLY A 88 2.608 -15.221 -15.961 1.00 0.00 N ATOM 1283 CA GLY A 88 2.878 -16.632 -16.166 1.00 0.00 C ATOM 1284 C GLY A 88 2.173 -17.511 -15.153 1.00 0.00 C ATOM 1285 O GLY A 88 2.643 -17.672 -14.027 1.00 0.00 O ATOM 0 H GLY A 88 2.227 -14.735 -16.773 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.564 -16.917 -17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.953 -16.805 -16.107 1.00 0.00 H new ATOM 1289 N SER A 89 1.041 -18.081 -15.552 1.00 0.00 N ATOM 1290 CA SER A 89 0.266 -18.945 -14.669 1.00 0.00 C ATOM 1291 C SER A 89 0.711 -20.398 -14.802 1.00 0.00 C ATOM 1292 O SER A 89 0.980 -20.878 -15.903 1.00 0.00 O ATOM 1293 CB SER A 89 -1.226 -18.825 -14.984 1.00 0.00 C ATOM 1294 OG SER A 89 -1.821 -17.773 -14.245 1.00 0.00 O ATOM 0 H SER A 89 0.640 -17.960 -16.482 1.00 0.00 H new ATOM 0 HA SER A 89 0.440 -18.623 -13.642 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.362 -18.646 -16.051 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.727 -19.765 -14.752 1.00 0.00 H new ATOM 0 HG SER A 89 -2.774 -17.716 -14.466 1.00 0.00 H new ATOM 1300 N GLY A 90 0.787 -21.093 -13.671 1.00 0.00 N ATOM 1301 CA GLY A 90 1.200 -22.485 -13.683 1.00 0.00 C ATOM 1302 C GLY A 90 2.529 -22.700 -12.987 1.00 0.00 C ATOM 1303 O GLY A 90 2.600 -22.847 -11.767 1.00 0.00 O ATOM 0 H GLY A 90 0.570 -20.718 -12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 90 0.436 -23.092 -13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.273 -22.830 -14.714 1.00 0.00 H new ATOM 1307 N PRO A 91 3.616 -22.724 -13.774 1.00 0.00 N ATOM 1308 CA PRO A 91 4.969 -22.925 -13.248 1.00 0.00 C ATOM 1309 C PRO A 91 5.460 -21.728 -12.440 1.00 0.00 C ATOM 1310 O PRO A 91 5.100 -20.586 -12.723 1.00 0.00 O ATOM 1311 CB PRO A 91 5.817 -23.101 -14.510 1.00 0.00 C ATOM 1312 CG PRO A 91 5.061 -22.389 -15.578 1.00 0.00 C ATOM 1313 CD PRO A 91 3.606 -22.557 -15.237 1.00 0.00 C ATOM 0 HA PRO A 91 5.019 -23.771 -12.563 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.813 -22.677 -14.380 1.00 0.00 H new ATOM 0 HB3 PRO A 91 5.949 -24.155 -14.754 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.334 -21.334 -15.613 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.283 -22.809 -16.559 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.020 -21.689 -15.538 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.173 -23.423 -15.737 1.00 0.00 H new ATOM 1321 N SER A 92 6.285 -21.999 -11.433 1.00 0.00 N ATOM 1322 CA SER A 92 6.822 -20.944 -10.581 1.00 0.00 C ATOM 1323 C SER A 92 8.150 -21.370 -9.963 1.00 0.00 C ATOM 1324 O SER A 92 8.195 -22.257 -9.110 1.00 0.00 O ATOM 1325 CB SER A 92 5.823 -20.591 -9.478 1.00 0.00 C ATOM 1326 OG SER A 92 5.884 -21.527 -8.416 1.00 0.00 O ATOM 0 H SER A 92 6.596 -22.939 -11.188 1.00 0.00 H new ATOM 0 HA SER A 92 6.994 -20.063 -11.200 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.034 -19.591 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.814 -20.569 -9.890 1.00 0.00 H new ATOM 0 HG SER A 92 6.520 -22.237 -8.642 1.00 0.00 H new ATOM 1332 N SER A 93 9.231 -20.731 -10.399 1.00 0.00 N ATOM 1333 CA SER A 93 10.562 -21.045 -9.892 1.00 0.00 C ATOM 1334 C SER A 93 11.140 -19.866 -9.116 1.00 0.00 C ATOM 1335 O SER A 93 11.530 -20.002 -7.957 1.00 0.00 O ATOM 1336 CB SER A 93 11.495 -21.418 -11.045 1.00 0.00 C ATOM 1337 OG SER A 93 12.818 -21.630 -10.582 1.00 0.00 O ATOM 0 H SER A 93 9.211 -19.993 -11.102 1.00 0.00 H new ATOM 0 HA SER A 93 10.475 -21.895 -9.215 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.129 -22.320 -11.536 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.491 -20.624 -11.792 1.00 0.00 H new ATOM 0 HG SER A 93 13.395 -21.869 -11.338 1.00 0.00 H new ATOM 1343 N GLY A 94 11.192 -18.707 -9.765 1.00 0.00 N ATOM 1344 CA GLY A 94 11.723 -17.519 -9.122 1.00 0.00 C ATOM 1345 C GLY A 94 12.345 -16.553 -10.110 1.00 0.00 C ATOM 1346 O GLY A 94 13.465 -16.764 -10.575 1.00 0.00 O ATOM 0 H GLY A 94 10.876 -18.569 -10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.923 -17.015 -8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.471 -17.812 -8.385 1.00 0.00 H new TER 1350 GLY A 94