USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 529 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 26 CYS SG : rot 180:sc= -0.032 USER MOD Set 1.2: A 58 MET CE :methyl -158:sc= -0.72 (180deg=-2.43!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0186 (180deg=-0.235) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 40:sc= 0.36 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0282 (180deg=-0.277) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -1.64! (180deg=-3.02!) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0.558 F(o=-0.07,f=0.56) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.212 F(o=-3.7!,f=0.21) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= 0.717 (180deg=-0.108) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.0414 (180deg=-0.234) USER MOD Single : A 23 CYS SG : rot -54:sc= 0.0277 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 36 CYS SG : rot 149:sc= 0.207 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.0438 (180deg=-0.291) USER MOD Single : A 47 CYS SG : rot -56:sc= -0.575 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0292 (180deg=-0.245) USER MOD Single : A 54 TYR OH : rot -72:sc= 0.00407 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 83:sc= 0.535 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.669 29.334 2.675 1.00 0.00 N ATOM 2 CA MET A 1 7.449 28.510 3.892 1.00 0.00 C ATOM 3 C MET A 1 8.252 27.215 3.827 1.00 0.00 C ATOM 4 O MET A 1 9.079 26.942 4.697 1.00 0.00 O ATOM 5 CB MET A 1 5.960 28.189 4.049 1.00 0.00 C ATOM 6 CG MET A 1 5.079 29.425 4.140 1.00 0.00 C ATOM 7 SD MET A 1 5.508 30.481 5.538 1.00 0.00 S ATOM 8 CE MET A 1 4.345 31.823 5.314 1.00 0.00 C ATOM 0 H1 MET A 1 7.267 30.282 2.820 1.00 0.00 H new ATOM 0 H2 MET A 1 8.689 29.415 2.490 1.00 0.00 H new ATOM 0 H3 MET A 1 7.205 28.882 1.861 1.00 0.00 H new ATOM 0 HA MET A 1 7.788 29.083 4.755 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.636 27.583 3.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.819 27.585 4.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.166 29.998 3.217 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.037 29.118 4.228 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.485 32.561 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.513 32.292 4.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.328 31.434 5.357 1.00 0.00 H new ATOM 20 N THR A 2 8.000 26.419 2.792 1.00 0.00 N ATOM 21 CA THR A 2 8.700 25.152 2.612 1.00 0.00 C ATOM 22 C THR A 2 9.649 25.216 1.419 1.00 0.00 C ATOM 23 O THR A 2 9.258 25.622 0.325 1.00 0.00 O ATOM 24 CB THR A 2 7.710 23.988 2.409 1.00 0.00 C ATOM 25 OG1 THR A 2 6.789 23.930 3.505 1.00 0.00 O ATOM 26 CG2 THR A 2 8.449 22.662 2.292 1.00 0.00 C ATOM 0 H THR A 2 7.316 26.629 2.065 1.00 0.00 H new ATOM 0 HA THR A 2 9.275 24.973 3.521 1.00 0.00 H new ATOM 0 HB THR A 2 7.162 24.165 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.163 23.189 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.729 21.856 2.149 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.128 22.698 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.020 22.482 3.203 1.00 0.00 H new ATOM 34 N GLU A 3 10.895 24.812 1.639 1.00 0.00 N ATOM 35 CA GLU A 3 11.900 24.823 0.581 1.00 0.00 C ATOM 36 C GLU A 3 12.895 23.683 0.765 1.00 0.00 C ATOM 37 O GLU A 3 12.975 22.774 -0.061 1.00 0.00 O ATOM 38 CB GLU A 3 12.638 26.164 0.564 1.00 0.00 C ATOM 39 CG GLU A 3 13.650 26.288 -0.564 1.00 0.00 C ATOM 40 CD GLU A 3 14.444 27.578 -0.494 1.00 0.00 C ATOM 41 OE1 GLU A 3 13.939 28.612 -0.978 1.00 0.00 O ATOM 42 OE2 GLU A 3 15.570 27.552 0.046 1.00 0.00 O ATOM 0 H GLU A 3 11.234 24.473 2.539 1.00 0.00 H new ATOM 0 HA GLU A 3 11.390 24.685 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.909 26.969 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.150 26.299 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.335 25.441 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.131 26.237 -1.521 1.00 0.00 H new ATOM 49 N THR A 4 13.655 23.740 1.855 1.00 0.00 N ATOM 50 CA THR A 4 14.647 22.714 2.149 1.00 0.00 C ATOM 51 C THR A 4 13.985 21.430 2.636 1.00 0.00 C ATOM 52 O THR A 4 13.266 21.429 3.635 1.00 0.00 O ATOM 53 CB THR A 4 15.651 23.195 3.214 1.00 0.00 C ATOM 54 OG1 THR A 4 14.961 23.536 4.421 1.00 0.00 O ATOM 55 CG2 THR A 4 16.433 24.400 2.712 1.00 0.00 C ATOM 0 H THR A 4 13.602 24.486 2.548 1.00 0.00 H new ATOM 0 HA THR A 4 15.180 22.514 1.219 1.00 0.00 H new ATOM 0 HB THR A 4 16.351 22.384 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.245 22.887 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.136 24.723 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.981 24.128 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.743 25.213 2.486 1.00 0.00 H new ATOM 63 N ASP A 5 14.231 20.338 1.920 1.00 0.00 N ATOM 64 CA ASP A 5 13.661 19.045 2.276 1.00 0.00 C ATOM 65 C ASP A 5 14.504 17.910 1.708 1.00 0.00 C ATOM 66 O ASP A 5 14.200 16.734 1.909 1.00 0.00 O ATOM 67 CB ASP A 5 12.224 18.938 1.761 1.00 0.00 C ATOM 68 CG ASP A 5 12.138 19.076 0.254 1.00 0.00 C ATOM 69 OD1 ASP A 5 12.235 18.044 -0.444 1.00 0.00 O ATOM 70 OD2 ASP A 5 11.973 20.216 -0.229 1.00 0.00 O ATOM 0 H ASP A 5 14.822 20.323 1.089 1.00 0.00 H new ATOM 0 HA ASP A 5 13.655 18.962 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.805 17.977 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.615 19.711 2.229 1.00 0.00 H new ATOM 75 N LYS A 6 15.567 18.273 0.996 1.00 0.00 N ATOM 76 CA LYS A 6 16.461 17.289 0.397 1.00 0.00 C ATOM 77 C LYS A 6 17.389 16.691 1.447 1.00 0.00 C ATOM 78 O LYS A 6 17.942 17.406 2.283 1.00 0.00 O ATOM 79 CB LYS A 6 17.280 17.931 -0.724 1.00 0.00 C ATOM 80 CG LYS A 6 16.427 18.588 -1.799 1.00 0.00 C ATOM 81 CD LYS A 6 17.280 19.156 -2.922 1.00 0.00 C ATOM 82 CE LYS A 6 16.427 19.864 -3.964 1.00 0.00 C ATOM 83 NZ LYS A 6 15.702 21.030 -3.388 1.00 0.00 N ATOM 0 H LYS A 6 15.830 19.243 0.820 1.00 0.00 H new ATOM 0 HA LYS A 6 15.854 16.487 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.947 18.678 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.909 17.170 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.728 17.858 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.832 19.386 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.008 19.855 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.843 18.352 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.061 20.200 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.708 19.160 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.342 21.630 -4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.906 20.693 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.351 21.583 -2.793 1.00 0.00 H new ATOM 97 N LYS A 7 17.554 15.373 1.399 1.00 0.00 N ATOM 98 CA LYS A 7 18.412 14.672 2.349 1.00 0.00 C ATOM 99 C LYS A 7 19.719 14.237 1.693 1.00 0.00 C ATOM 100 O LYS A 7 20.709 13.981 2.377 1.00 0.00 O ATOM 101 CB LYS A 7 17.682 13.454 2.915 1.00 0.00 C ATOM 102 CG LYS A 7 16.468 13.812 3.756 1.00 0.00 C ATOM 103 CD LYS A 7 15.740 12.570 4.247 1.00 0.00 C ATOM 104 CE LYS A 7 14.749 12.053 3.216 1.00 0.00 C ATOM 105 NZ LYS A 7 15.421 11.592 1.969 1.00 0.00 N ATOM 0 H LYS A 7 17.105 14.768 0.712 1.00 0.00 H new ATOM 0 HA LYS A 7 18.650 15.359 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.367 12.814 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.377 12.874 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.781 14.412 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.786 14.426 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.466 11.790 4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.214 12.799 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.178 11.229 3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.037 12.841 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.829 10.877 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.559 12.401 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.344 11.176 2.206 1.00 0.00 H new ATOM 119 N GLN A 8 19.713 14.157 0.365 1.00 0.00 N ATOM 120 CA GLN A 8 20.897 13.750 -0.389 1.00 0.00 C ATOM 121 C GLN A 8 21.354 12.353 0.021 1.00 0.00 C ATOM 122 O GLN A 8 22.484 11.953 -0.261 1.00 0.00 O ATOM 123 CB GLN A 8 22.035 14.752 -0.176 1.00 0.00 C ATOM 124 CG GLN A 8 21.672 16.177 -0.559 1.00 0.00 C ATOM 125 CD GLN A 8 22.829 17.143 -0.384 1.00 0.00 C ATOM 126 OE1 GLN A 8 23.691 16.872 0.591 1.00 0.00 O flip ATOM 127 NE2 GLN A 8 22.945 18.128 -1.116 1.00 0.00 N flip ATOM 0 H GLN A 8 18.900 14.369 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 8 20.631 13.730 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.334 14.732 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.899 14.437 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.341 16.197 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.831 16.510 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.261 18.299 -1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.725 18.772 -0.985 1.00 0.00 H new ATOM 136 N GLU A 9 20.468 11.613 0.682 1.00 0.00 N ATOM 137 CA GLU A 9 20.782 10.261 1.132 1.00 0.00 C ATOM 138 C GLU A 9 20.664 9.261 -0.015 1.00 0.00 C ATOM 139 O GLU A 9 21.419 8.292 -0.086 1.00 0.00 O ATOM 140 CB GLU A 9 19.852 9.853 2.276 1.00 0.00 C ATOM 141 CG GLU A 9 20.145 8.469 2.834 1.00 0.00 C ATOM 142 CD GLU A 9 19.191 8.073 3.944 1.00 0.00 C ATOM 143 OE1 GLU A 9 18.115 7.518 3.634 1.00 0.00 O ATOM 144 OE2 GLU A 9 19.519 8.318 5.124 1.00 0.00 O ATOM 0 H GLU A 9 19.527 11.927 0.918 1.00 0.00 H new ATOM 0 HA GLU A 9 21.812 10.256 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.935 10.585 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.821 9.883 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.084 7.737 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.167 8.443 3.212 1.00 0.00 H new ATOM 151 N GLN A 10 19.712 9.503 -0.911 1.00 0.00 N ATOM 152 CA GLN A 10 19.494 8.621 -2.053 1.00 0.00 C ATOM 153 C GLN A 10 19.599 9.389 -3.366 1.00 0.00 C ATOM 154 O GLN A 10 19.109 10.512 -3.483 1.00 0.00 O ATOM 155 CB GLN A 10 18.124 7.947 -1.949 1.00 0.00 C ATOM 156 CG GLN A 10 18.006 6.994 -0.770 1.00 0.00 C ATOM 157 CD GLN A 10 18.910 5.784 -0.906 1.00 0.00 C ATOM 158 OE1 GLN A 10 18.379 4.712 -1.486 1.00 0.00 O flip ATOM 159 NE2 GLN A 10 20.069 5.809 -0.493 1.00 0.00 N flip ATOM 0 H GLN A 10 19.079 10.302 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 10 20.270 7.856 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.355 8.715 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.926 7.399 -2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.253 7.526 0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.972 6.662 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 10 20.436 6.653 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.663 4.985 -0.590 1.00 0.00 H new ATOM 168 N GLU A 11 20.240 8.771 -4.354 1.00 0.00 N ATOM 169 CA GLU A 11 20.413 9.391 -5.663 1.00 0.00 C ATOM 170 C GLU A 11 20.485 8.329 -6.755 1.00 0.00 C ATOM 171 O GLU A 11 21.497 7.644 -6.902 1.00 0.00 O ATOM 172 CB GLU A 11 21.681 10.247 -5.680 1.00 0.00 C ATOM 173 CG GLU A 11 21.909 10.977 -6.995 1.00 0.00 C ATOM 174 CD GLU A 11 23.180 11.804 -6.987 1.00 0.00 C ATOM 175 OE1 GLU A 11 23.118 12.985 -6.586 1.00 0.00 O ATOM 176 OE2 GLU A 11 24.237 11.270 -7.384 1.00 0.00 O ATOM 0 H GLU A 11 20.649 7.840 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 11 19.552 10.030 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.626 10.978 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.541 9.610 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.957 10.251 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.058 11.627 -7.199 1.00 0.00 H new ATOM 183 N ASN A 12 19.403 8.195 -7.516 1.00 0.00 N ATOM 184 CA ASN A 12 19.346 7.214 -8.595 1.00 0.00 C ATOM 185 C ASN A 12 18.481 7.717 -9.747 1.00 0.00 C ATOM 186 O ASN A 12 18.811 7.513 -10.915 1.00 0.00 O ATOM 187 CB ASN A 12 18.806 5.882 -8.069 1.00 0.00 C ATOM 188 CG ASN A 12 17.459 6.027 -7.386 1.00 0.00 C ATOM 189 OD1 ASN A 12 16.389 5.783 -8.132 1.00 0.00 O flip ATOM 190 ND2 ASN A 12 17.383 6.346 -6.199 1.00 0.00 N flip ATOM 0 H ASN A 12 18.556 8.752 -7.406 1.00 0.00 H new ATOM 0 HA ASN A 12 20.358 7.063 -8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 12 18.716 5.179 -8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 12 19.522 5.456 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.233 6.524 -5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.470 6.432 -5.751 1.00 0.00 H new ATOM 197 N HIS A 13 17.372 8.372 -9.408 1.00 0.00 N ATOM 198 CA HIS A 13 16.454 8.911 -10.411 1.00 0.00 C ATOM 199 C HIS A 13 15.902 7.807 -11.308 1.00 0.00 C ATOM 200 O HIS A 13 15.261 8.083 -12.322 1.00 0.00 O ATOM 201 CB HIS A 13 17.154 9.973 -11.262 1.00 0.00 C ATOM 202 CG HIS A 13 17.676 11.129 -10.468 1.00 0.00 C ATOM 203 ND1 HIS A 13 19.010 11.482 -10.436 1.00 0.00 N ATOM 204 CD2 HIS A 13 17.033 12.022 -9.680 1.00 0.00 C ATOM 205 CE1 HIS A 13 19.163 12.540 -9.660 1.00 0.00 C ATOM 206 NE2 HIS A 13 17.980 12.888 -9.191 1.00 0.00 N ATOM 0 H HIS A 13 17.086 8.543 -8.444 1.00 0.00 H new ATOM 0 HA HIS A 13 15.619 9.371 -9.882 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.981 9.509 -11.799 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.455 10.344 -12.012 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.973 12.049 -9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 13 20.098 13.036 -9.446 1.00 0.00 H new ATOM 0 HE2 HIS A 13 17.798 13.673 -8.566 1.00 0.00 H new ATOM 215 N ALA A 14 16.152 6.558 -10.929 1.00 0.00 N ATOM 216 CA ALA A 14 15.678 5.415 -11.700 1.00 0.00 C ATOM 217 C ALA A 14 14.317 4.947 -11.201 1.00 0.00 C ATOM 218 O ALA A 14 14.209 4.375 -10.115 1.00 0.00 O ATOM 219 CB ALA A 14 16.687 4.278 -11.634 1.00 0.00 C ATOM 0 H ALA A 14 16.680 6.312 -10.092 1.00 0.00 H new ATOM 0 HA ALA A 14 15.569 5.727 -12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.320 3.431 -12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.640 4.613 -12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.825 3.974 -10.596 1.00 0.00 H new ATOM 225 N GLU A 15 13.282 5.197 -11.999 1.00 0.00 N ATOM 226 CA GLU A 15 11.920 4.804 -11.647 1.00 0.00 C ATOM 227 C GLU A 15 11.468 5.479 -10.355 1.00 0.00 C ATOM 228 O GLU A 15 12.219 6.237 -9.741 1.00 0.00 O ATOM 229 CB GLU A 15 11.821 3.283 -11.503 1.00 0.00 C ATOM 230 CG GLU A 15 12.049 2.532 -12.804 1.00 0.00 C ATOM 231 CD GLU A 15 11.905 1.032 -12.642 1.00 0.00 C ATOM 232 OE1 GLU A 15 10.759 0.535 -12.700 1.00 0.00 O ATOM 233 OE2 GLU A 15 12.937 0.352 -12.458 1.00 0.00 O ATOM 0 H GLU A 15 13.361 5.672 -12.898 1.00 0.00 H new ATOM 0 HA GLU A 15 11.262 5.129 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.552 2.948 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.836 3.027 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.338 2.883 -13.552 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.046 2.759 -13.181 1.00 0.00 H new ATOM 240 N CYS A 16 10.232 5.200 -9.952 1.00 0.00 N ATOM 241 CA CYS A 16 9.675 5.777 -8.734 1.00 0.00 C ATOM 242 C CYS A 16 9.697 4.763 -7.595 1.00 0.00 C ATOM 243 O CYS A 16 9.372 5.088 -6.453 1.00 0.00 O ATOM 244 CB CYS A 16 8.243 6.254 -8.979 1.00 0.00 C ATOM 245 SG CYS A 16 8.093 7.495 -10.285 1.00 0.00 S ATOM 0 H CYS A 16 9.597 4.577 -10.452 1.00 0.00 H new ATOM 0 HA CYS A 16 10.291 6.631 -8.451 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.624 5.395 -9.236 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.845 6.667 -8.052 1.00 0.00 H new ATOM 0 HG CYS A 16 6.845 7.834 -10.420 1.00 0.00 H new ATOM 251 N GLU A 17 10.082 3.532 -7.917 1.00 0.00 N ATOM 252 CA GLU A 17 10.148 2.466 -6.925 1.00 0.00 C ATOM 253 C GLU A 17 11.595 2.076 -6.640 1.00 0.00 C ATOM 254 O GLU A 17 12.307 1.606 -7.527 1.00 0.00 O ATOM 255 CB GLU A 17 9.362 1.245 -7.410 1.00 0.00 C ATOM 256 CG GLU A 17 9.362 0.089 -6.422 1.00 0.00 C ATOM 257 CD GLU A 17 8.699 0.447 -5.107 1.00 0.00 C ATOM 258 OE1 GLU A 17 9.382 1.026 -4.236 1.00 0.00 O ATOM 259 OE2 GLU A 17 7.497 0.147 -4.947 1.00 0.00 O ATOM 0 H GLU A 17 10.353 3.248 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 17 9.703 2.833 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.332 1.542 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.784 0.904 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.846 -0.763 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.389 -0.223 -6.234 1.00 0.00 H new ATOM 266 N ASP A 18 12.021 2.275 -5.397 1.00 0.00 N ATOM 267 CA ASP A 18 13.383 1.943 -4.993 1.00 0.00 C ATOM 268 C ASP A 18 13.433 0.561 -4.348 1.00 0.00 C ATOM 269 O ASP A 18 14.161 -0.321 -4.805 1.00 0.00 O ATOM 270 CB ASP A 18 13.920 2.998 -4.022 1.00 0.00 C ATOM 271 CG ASP A 18 15.356 2.732 -3.615 1.00 0.00 C ATOM 272 OD1 ASP A 18 16.253 2.877 -4.472 1.00 0.00 O ATOM 273 OD2 ASP A 18 15.585 2.384 -2.437 1.00 0.00 O ATOM 0 H ASP A 18 11.443 2.664 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 18 14.011 1.931 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.853 3.982 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.291 3.022 -3.132 1.00 0.00 H new ATOM 278 N LYS A 19 12.654 0.380 -3.286 1.00 0.00 N ATOM 279 CA LYS A 19 12.606 -0.897 -2.581 1.00 0.00 C ATOM 280 C LYS A 19 11.165 -1.270 -2.236 1.00 0.00 C ATOM 281 O LYS A 19 10.323 -0.394 -2.046 1.00 0.00 O ATOM 282 CB LYS A 19 13.448 -0.835 -1.306 1.00 0.00 C ATOM 283 CG LYS A 19 14.938 -0.685 -1.569 1.00 0.00 C ATOM 284 CD LYS A 19 15.734 -0.681 -0.274 1.00 0.00 C ATOM 285 CE LYS A 19 17.224 -0.533 -0.535 1.00 0.00 C ATOM 286 NZ LYS A 19 17.547 0.763 -1.193 1.00 0.00 N ATOM 0 H LYS A 19 12.048 1.101 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 19 13.016 -1.663 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.109 0.003 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.279 -1.741 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.280 -1.501 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.121 0.242 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.392 0.136 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.549 -1.607 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.767 -0.607 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.566 -1.355 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.985 0.583 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.674 1.313 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.208 1.300 -0.596 1.00 0.00 H new ATOM 300 N PRO A 20 10.861 -2.580 -2.152 1.00 0.00 N ATOM 301 CA PRO A 20 9.512 -3.057 -1.830 1.00 0.00 C ATOM 302 C PRO A 20 9.046 -2.589 -0.454 1.00 0.00 C ATOM 303 O PRO A 20 9.326 -3.231 0.559 1.00 0.00 O ATOM 304 CB PRO A 20 9.643 -4.587 -1.861 1.00 0.00 C ATOM 305 CG PRO A 20 10.889 -4.857 -2.633 1.00 0.00 C ATOM 306 CD PRO A 20 11.800 -3.696 -2.363 1.00 0.00 C ATOM 0 HA PRO A 20 8.771 -2.671 -2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.708 -4.997 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.777 -5.047 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.348 -5.795 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.677 -4.947 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.425 -3.869 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.471 -3.506 -3.201 1.00 0.00 H new ATOM 314 N LYS A 21 8.340 -1.461 -0.426 1.00 0.00 N ATOM 315 CA LYS A 21 7.833 -0.903 0.824 1.00 0.00 C ATOM 316 C LYS A 21 6.470 -0.241 0.612 1.00 0.00 C ATOM 317 O LYS A 21 6.334 0.647 -0.229 1.00 0.00 O ATOM 318 CB LYS A 21 8.820 0.120 1.391 1.00 0.00 C ATOM 319 CG LYS A 21 10.183 -0.464 1.725 1.00 0.00 C ATOM 320 CD LYS A 21 11.089 0.569 2.375 1.00 0.00 C ATOM 321 CE LYS A 21 12.469 -0.003 2.659 1.00 0.00 C ATOM 322 NZ LYS A 21 12.405 -1.203 3.538 1.00 0.00 N ATOM 0 H LYS A 21 8.106 -0.916 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 21 7.718 -1.721 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.948 0.927 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.394 0.562 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.061 -1.315 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.652 -0.839 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.181 1.437 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.639 0.916 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.952 -0.268 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.088 0.760 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.359 -1.430 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.779 -1.009 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.032 -2.010 2.998 1.00 0.00 H new ATOM 336 N PRO A 22 5.438 -0.662 1.373 1.00 0.00 N ATOM 337 CA PRO A 22 4.092 -0.095 1.250 1.00 0.00 C ATOM 338 C PRO A 22 3.996 1.302 1.858 1.00 0.00 C ATOM 339 O PRO A 22 4.062 1.466 3.076 1.00 0.00 O ATOM 340 CB PRO A 22 3.222 -1.079 2.033 1.00 0.00 C ATOM 341 CG PRO A 22 4.140 -1.658 3.053 1.00 0.00 C ATOM 342 CD PRO A 22 5.498 -1.719 2.404 1.00 0.00 C ATOM 0 HA PRO A 22 3.792 0.026 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.376 -0.576 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.813 -1.852 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.164 -1.041 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.808 -2.651 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.295 -1.532 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.689 -2.698 1.964 1.00 0.00 H new ATOM 350 N CYS A 23 3.844 2.306 0.999 1.00 0.00 N ATOM 351 CA CYS A 23 3.739 3.690 1.448 1.00 0.00 C ATOM 352 C CYS A 23 3.254 4.593 0.318 1.00 0.00 C ATOM 353 O CYS A 23 3.520 4.330 -0.855 1.00 0.00 O ATOM 354 CB CYS A 23 5.092 4.184 1.967 1.00 0.00 C ATOM 355 SG CYS A 23 6.423 4.106 0.746 1.00 0.00 S ATOM 0 H CYS A 23 3.791 2.186 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 23 3.011 3.729 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.985 5.214 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.375 3.590 2.836 1.00 0.00 H new ATOM 0 HG CYS A 23 6.508 2.898 0.274 1.00 0.00 H new ATOM 361 N CYS A 24 2.537 5.654 0.681 1.00 0.00 N ATOM 362 CA CYS A 24 2.012 6.603 -0.299 1.00 0.00 C ATOM 363 C CYS A 24 1.109 5.906 -1.313 1.00 0.00 C ATOM 364 O CYS A 24 0.825 4.715 -1.186 1.00 0.00 O ATOM 365 CB CYS A 24 3.161 7.308 -1.021 1.00 0.00 C ATOM 366 SG CYS A 24 4.256 8.245 0.071 1.00 0.00 S ATOM 0 H CYS A 24 2.306 5.879 1.649 1.00 0.00 H new ATOM 0 HA CYS A 24 1.417 7.343 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.750 6.564 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.746 7.984 -1.768 1.00 0.00 H new ATOM 0 HG CYS A 24 5.197 8.803 -0.632 1.00 0.00 H new ATOM 372 N VAL A 25 0.658 6.671 -2.311 1.00 0.00 N ATOM 373 CA VAL A 25 -0.216 6.165 -3.377 1.00 0.00 C ATOM 374 C VAL A 25 -1.332 5.271 -2.833 1.00 0.00 C ATOM 375 O VAL A 25 -1.599 5.254 -1.631 1.00 0.00 O ATOM 376 CB VAL A 25 0.580 5.402 -4.462 1.00 0.00 C ATOM 377 CG1 VAL A 25 1.714 6.266 -4.991 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.113 4.076 -3.938 1.00 0.00 C ATOM 0 H VAL A 25 0.888 7.660 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.672 7.044 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.103 5.178 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.265 5.716 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.304 7.178 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.386 6.525 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.667 3.569 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.775 4.259 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.280 3.450 -3.619 1.00 0.00 H new ATOM 388 N CYS A 26 -1.995 4.542 -3.730 1.00 0.00 N ATOM 389 CA CYS A 26 -3.086 3.652 -3.339 1.00 0.00 C ATOM 390 C CYS A 26 -3.549 2.797 -4.516 1.00 0.00 C ATOM 391 O CYS A 26 -4.613 2.180 -4.462 1.00 0.00 O ATOM 392 CB CYS A 26 -4.264 4.465 -2.799 1.00 0.00 C ATOM 393 SG CYS A 26 -4.960 5.634 -3.990 1.00 0.00 S ATOM 0 H CYS A 26 -1.796 4.550 -4.730 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.713 2.990 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.048 3.779 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.939 5.013 -1.915 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.951 6.273 -3.443 1.00 0.00 H new ATOM 399 N LYS A 27 -2.745 2.763 -5.575 1.00 0.00 N ATOM 400 CA LYS A 27 -3.080 1.984 -6.763 1.00 0.00 C ATOM 401 C LYS A 27 -3.353 0.516 -6.414 1.00 0.00 C ATOM 402 O LYS A 27 -4.395 -0.022 -6.786 1.00 0.00 O ATOM 403 CB LYS A 27 -1.965 2.090 -7.809 1.00 0.00 C ATOM 404 CG LYS A 27 -1.744 3.505 -8.322 1.00 0.00 C ATOM 405 CD LYS A 27 -2.978 4.043 -9.030 1.00 0.00 C ATOM 406 CE LYS A 27 -2.768 5.469 -9.514 1.00 0.00 C ATOM 407 NZ LYS A 27 -3.998 6.030 -10.138 1.00 0.00 N ATOM 0 H LYS A 27 -1.859 3.265 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.995 2.400 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.036 1.720 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.205 1.441 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.488 4.159 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.897 3.516 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.220 3.402 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.831 4.010 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.468 6.097 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.952 5.491 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.814 7.003 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.271 5.446 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.770 6.033 -9.441 1.00 0.00 H new ATOM 421 N PRO A 28 -2.430 -0.160 -5.692 1.00 0.00 N ATOM 422 CA PRO A 28 -2.612 -1.566 -5.312 1.00 0.00 C ATOM 423 C PRO A 28 -3.636 -1.734 -4.192 1.00 0.00 C ATOM 424 O PRO A 28 -4.259 -2.790 -4.057 1.00 0.00 O ATOM 425 CB PRO A 28 -1.221 -1.982 -4.835 1.00 0.00 C ATOM 426 CG PRO A 28 -0.619 -0.724 -4.317 1.00 0.00 C ATOM 427 CD PRO A 28 -1.147 0.379 -5.192 1.00 0.00 C ATOM 0 HA PRO A 28 -2.993 -2.169 -6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.278 -2.745 -4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.630 -2.400 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.893 -0.560 -3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.469 -0.767 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.291 1.302 -4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.462 0.606 -6.009 1.00 0.00 H new ATOM 435 N GLU A 29 -3.803 -0.684 -3.393 1.00 0.00 N ATOM 436 CA GLU A 29 -4.746 -0.701 -2.286 1.00 0.00 C ATOM 437 C GLU A 29 -6.172 -0.907 -2.785 1.00 0.00 C ATOM 438 O GLU A 29 -7.020 -1.442 -2.070 1.00 0.00 O ATOM 439 CB GLU A 29 -4.644 0.608 -1.503 1.00 0.00 C ATOM 440 CG GLU A 29 -3.517 0.624 -0.481 1.00 0.00 C ATOM 441 CD GLU A 29 -2.157 0.381 -1.105 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.519 1.362 -1.540 1.00 0.00 O ATOM 443 OE2 GLU A 29 -1.729 -0.792 -1.156 1.00 0.00 O ATOM 0 H GLU A 29 -3.293 0.193 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.496 -1.535 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.498 1.430 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.589 0.789 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.510 1.586 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.707 -0.138 0.275 1.00 0.00 H new ATOM 450 N LYS A 30 -6.431 -0.480 -4.018 1.00 0.00 N ATOM 451 CA LYS A 30 -7.754 -0.622 -4.614 1.00 0.00 C ATOM 452 C LYS A 30 -8.041 -2.082 -4.946 1.00 0.00 C ATOM 453 O LYS A 30 -9.156 -2.565 -4.754 1.00 0.00 O ATOM 454 CB LYS A 30 -7.865 0.232 -5.881 1.00 0.00 C ATOM 455 CG LYS A 30 -7.755 1.727 -5.623 1.00 0.00 C ATOM 456 CD LYS A 30 -7.829 2.519 -6.918 1.00 0.00 C ATOM 457 CE LYS A 30 -7.783 4.016 -6.658 1.00 0.00 C ATOM 458 NZ LYS A 30 -7.834 4.802 -7.921 1.00 0.00 N ATOM 0 H LYS A 30 -5.742 -0.033 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.491 -0.277 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.082 -0.066 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.819 0.025 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.557 2.043 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.814 1.942 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.000 2.236 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.748 2.268 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.620 4.299 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.871 4.262 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.800 5.818 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.021 4.551 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.716 4.587 -8.428 1.00 0.00 H new ATOM 472 N GLU A 31 -7.024 -2.781 -5.442 1.00 0.00 N ATOM 473 CA GLU A 31 -7.165 -4.188 -5.799 1.00 0.00 C ATOM 474 C GLU A 31 -7.368 -5.048 -4.558 1.00 0.00 C ATOM 475 O GLU A 31 -8.203 -5.951 -4.548 1.00 0.00 O ATOM 476 CB GLU A 31 -5.935 -4.671 -6.571 1.00 0.00 C ATOM 477 CG GLU A 31 -5.884 -4.181 -8.010 1.00 0.00 C ATOM 478 CD GLU A 31 -5.658 -2.685 -8.112 1.00 0.00 C ATOM 479 OE1 GLU A 31 -6.653 -1.931 -8.087 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.485 -2.270 -8.222 1.00 0.00 O ATOM 0 H GLU A 31 -6.094 -2.396 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.045 -4.285 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.037 -4.338 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.920 -5.761 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.085 -4.702 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.818 -4.438 -8.510 1.00 0.00 H new ATOM 487 N GLU A 32 -6.598 -4.762 -3.511 1.00 0.00 N ATOM 488 CA GLU A 32 -6.695 -5.514 -2.264 1.00 0.00 C ATOM 489 C GLU A 32 -8.058 -5.315 -1.604 1.00 0.00 C ATOM 490 O GLU A 32 -8.738 -6.283 -1.259 1.00 0.00 O ATOM 491 CB GLU A 32 -5.586 -5.091 -1.300 1.00 0.00 C ATOM 492 CG GLU A 32 -4.185 -5.380 -1.815 1.00 0.00 C ATOM 493 CD GLU A 32 -3.945 -6.859 -2.052 1.00 0.00 C ATOM 494 OE1 GLU A 32 -3.731 -7.591 -1.064 1.00 0.00 O ATOM 495 OE2 GLU A 32 -3.971 -7.283 -3.227 1.00 0.00 O ATOM 0 H GLU A 32 -5.902 -4.017 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.580 -6.571 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.677 -4.023 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.727 -5.605 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.024 -4.836 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.454 -5.007 -1.098 1.00 0.00 H new ATOM 502 N ARG A 33 -8.449 -4.057 -1.431 1.00 0.00 N ATOM 503 CA ARG A 33 -9.727 -3.727 -0.806 1.00 0.00 C ATOM 504 C ARG A 33 -10.896 -4.361 -1.559 1.00 0.00 C ATOM 505 O ARG A 33 -11.759 -4.997 -0.955 1.00 0.00 O ATOM 506 CB ARG A 33 -9.910 -2.209 -0.745 1.00 0.00 C ATOM 507 CG ARG A 33 -11.164 -1.775 -0.001 1.00 0.00 C ATOM 508 CD ARG A 33 -11.358 -0.268 -0.070 1.00 0.00 C ATOM 509 NE ARG A 33 -11.531 0.199 -1.443 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.784 1.465 -1.767 1.00 0.00 C ATOM 511 NH1 ARG A 33 -11.889 2.387 -0.818 1.00 0.00 N ATOM 512 NH2 ARG A 33 -11.932 1.809 -3.038 1.00 0.00 N ATOM 0 H ARG A 33 -7.899 -3.247 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.716 -4.131 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.039 -1.766 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.946 -1.815 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.033 -2.275 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.097 -2.087 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.230 0.013 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.497 0.229 0.376 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.454 -0.484 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.776 2.126 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.083 3.357 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.852 1.103 -3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.126 2.780 -3.284 1.00 0.00 H new ATOM 526 N ASP A 34 -10.916 -4.183 -2.876 1.00 0.00 N ATOM 527 CA ASP A 34 -11.984 -4.733 -3.707 1.00 0.00 C ATOM 528 C ASP A 34 -12.056 -6.252 -3.580 1.00 0.00 C ATOM 529 O ASP A 34 -13.137 -6.817 -3.410 1.00 0.00 O ATOM 530 CB ASP A 34 -11.771 -4.345 -5.171 1.00 0.00 C ATOM 531 CG ASP A 34 -12.920 -4.785 -6.058 1.00 0.00 C ATOM 532 OD1 ASP A 34 -12.903 -5.945 -6.521 1.00 0.00 O ATOM 533 OD2 ASP A 34 -13.837 -3.968 -6.289 1.00 0.00 O ATOM 0 H ASP A 34 -10.206 -3.663 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.928 -4.314 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.652 -3.264 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.845 -4.792 -5.532 1.00 0.00 H new ATOM 538 N THR A 35 -10.902 -6.906 -3.662 1.00 0.00 N ATOM 539 CA THR A 35 -10.838 -8.361 -3.559 1.00 0.00 C ATOM 540 C THR A 35 -11.396 -8.846 -2.224 1.00 0.00 C ATOM 541 O THR A 35 -12.043 -9.890 -2.157 1.00 0.00 O ATOM 542 CB THR A 35 -9.394 -8.873 -3.721 1.00 0.00 C ATOM 543 OG1 THR A 35 -8.867 -8.464 -4.989 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.338 -10.390 -3.613 1.00 0.00 C ATOM 0 H THR A 35 -9.999 -6.453 -3.799 1.00 0.00 H new ATOM 0 HA THR A 35 -11.449 -8.762 -4.368 1.00 0.00 H new ATOM 0 HB THR A 35 -8.792 -8.445 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.839 -7.485 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.308 -10.725 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.711 -10.699 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.955 -10.833 -4.394 1.00 0.00 H new ATOM 552 N CYS A 36 -11.140 -8.084 -1.165 1.00 0.00 N ATOM 553 CA CYS A 36 -11.619 -8.442 0.166 1.00 0.00 C ATOM 554 C CYS A 36 -13.139 -8.344 0.245 1.00 0.00 C ATOM 555 O CYS A 36 -13.813 -9.297 0.639 1.00 0.00 O ATOM 556 CB CYS A 36 -10.986 -7.536 1.223 1.00 0.00 C ATOM 557 SG CYS A 36 -11.480 -7.926 2.917 1.00 0.00 S ATOM 0 H CYS A 36 -10.605 -7.217 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.328 -9.474 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.901 -7.608 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.253 -6.501 1.007 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.508 -7.636 3.730 1.00 0.00 H new ATOM 563 N ILE A 37 -13.671 -7.186 -0.131 1.00 0.00 N ATOM 564 CA ILE A 37 -15.111 -6.957 -0.102 1.00 0.00 C ATOM 565 C ILE A 37 -15.839 -7.913 -1.045 1.00 0.00 C ATOM 566 O ILE A 37 -17.020 -8.205 -0.859 1.00 0.00 O ATOM 567 CB ILE A 37 -15.453 -5.503 -0.487 1.00 0.00 C ATOM 568 CG1 ILE A 37 -14.650 -4.523 0.373 1.00 0.00 C ATOM 569 CG2 ILE A 37 -16.946 -5.250 -0.334 1.00 0.00 C ATOM 570 CD1 ILE A 37 -14.815 -3.075 -0.038 1.00 0.00 C ATOM 0 H ILE A 37 -13.125 -6.390 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.444 -7.141 0.919 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.184 -5.347 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.955 -4.633 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.594 -4.788 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.171 -4.220 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.498 -5.928 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.240 -5.421 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.217 -2.441 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.483 -2.949 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -15.864 -2.791 0.042 1.00 0.00 H new ATOM 582 N LEU A 38 -15.124 -8.400 -2.055 1.00 0.00 N ATOM 583 CA LEU A 38 -15.705 -9.319 -3.029 1.00 0.00 C ATOM 584 C LEU A 38 -15.609 -10.767 -2.552 1.00 0.00 C ATOM 585 O LEU A 38 -16.462 -11.593 -2.878 1.00 0.00 O ATOM 586 CB LEU A 38 -15.004 -9.167 -4.381 1.00 0.00 C ATOM 587 CG LEU A 38 -15.594 -10.005 -5.517 1.00 0.00 C ATOM 588 CD1 LEU A 38 -17.043 -9.619 -5.774 1.00 0.00 C ATOM 589 CD2 LEU A 38 -14.766 -9.838 -6.780 1.00 0.00 C ATOM 0 H LEU A 38 -14.143 -8.174 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.760 -9.068 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.034 -8.117 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.954 -9.435 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.569 -11.054 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.443 -10.227 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.630 -9.787 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.096 -8.566 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.197 -10.440 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.762 -8.789 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.744 -10.165 -6.591 1.00 0.00 H new ATOM 601 N PHE A 39 -14.568 -11.069 -1.781 1.00 0.00 N ATOM 602 CA PHE A 39 -14.365 -12.420 -1.268 1.00 0.00 C ATOM 603 C PHE A 39 -15.179 -12.649 0.003 1.00 0.00 C ATOM 604 O PHE A 39 -16.127 -13.434 0.010 1.00 0.00 O ATOM 605 CB PHE A 39 -12.881 -12.665 -0.987 1.00 0.00 C ATOM 606 CG PHE A 39 -12.527 -14.119 -0.848 1.00 0.00 C ATOM 607 CD1 PHE A 39 -12.184 -14.869 -1.962 1.00 0.00 C ATOM 608 CD2 PHE A 39 -12.535 -14.733 0.394 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.857 -16.206 -1.839 1.00 0.00 C ATOM 610 CE2 PHE A 39 -12.208 -16.070 0.522 1.00 0.00 C ATOM 611 CZ PHE A 39 -11.869 -16.807 -0.596 1.00 0.00 C ATOM 0 H PHE A 39 -13.854 -10.398 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.705 -13.124 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.291 -12.231 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.602 -12.143 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.172 -14.404 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.799 -14.161 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.592 -16.780 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.218 -16.538 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.614 -17.852 -0.498 1.00 0.00 H new ATOM 621 N ASN A 40 -14.803 -11.957 1.074 1.00 0.00 N ATOM 622 CA ASN A 40 -15.500 -12.083 2.350 1.00 0.00 C ATOM 623 C ASN A 40 -16.840 -11.357 2.313 1.00 0.00 C ATOM 624 O ASN A 40 -17.886 -11.952 2.568 1.00 0.00 O ATOM 625 CB ASN A 40 -14.641 -11.530 3.485 1.00 0.00 C ATOM 626 CG ASN A 40 -13.371 -12.330 3.696 1.00 0.00 C ATOM 627 OD1 ASN A 40 -13.347 -13.283 4.475 1.00 0.00 O ATOM 628 ND2 ASN A 40 -12.306 -11.949 3.000 1.00 0.00 N ATOM 0 H ASN A 40 -14.020 -11.303 1.084 1.00 0.00 H new ATOM 0 HA ASN A 40 -15.685 -13.142 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -14.382 -10.494 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.222 -11.527 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.424 -12.452 3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.370 -11.153 2.365 1.00 0.00 H new ATOM 635 N GLY A 41 -16.800 -10.067 1.993 1.00 0.00 N ATOM 636 CA GLY A 41 -18.019 -9.282 1.929 1.00 0.00 C ATOM 637 C GLY A 41 -17.874 -7.922 2.585 1.00 0.00 C ATOM 638 O GLY A 41 -16.764 -7.415 2.741 1.00 0.00 O ATOM 0 H GLY A 41 -15.946 -9.552 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.306 -9.149 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.826 -9.831 2.415 1.00 0.00 H new ATOM 642 N GLN A 42 -19.002 -7.335 2.972 1.00 0.00 N ATOM 643 CA GLN A 42 -19.005 -6.025 3.614 1.00 0.00 C ATOM 644 C GLN A 42 -19.509 -6.125 5.049 1.00 0.00 C ATOM 645 O GLN A 42 -19.219 -5.266 5.883 1.00 0.00 O ATOM 646 CB GLN A 42 -19.879 -5.052 2.820 1.00 0.00 C ATOM 647 CG GLN A 42 -19.867 -3.634 3.366 1.00 0.00 C ATOM 648 CD GLN A 42 -20.784 -2.705 2.594 1.00 0.00 C ATOM 649 OE1 GLN A 42 -20.372 -2.077 1.619 1.00 0.00 O ATOM 650 NE2 GLN A 42 -22.035 -2.613 3.030 1.00 0.00 N ATOM 0 H GLN A 42 -19.927 -7.747 2.852 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.981 -5.652 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -19.540 -5.036 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -20.905 -5.421 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -20.169 -3.649 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -18.850 -3.244 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -22.333 -3.153 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -22.698 -2.003 2.552 1.00 0.00 H new ATOM 659 N ASP A 43 -20.267 -7.180 5.331 1.00 0.00 N ATOM 660 CA ASP A 43 -20.814 -7.397 6.664 1.00 0.00 C ATOM 661 C ASP A 43 -19.737 -7.882 7.628 1.00 0.00 C ATOM 662 O ASP A 43 -20.002 -8.103 8.810 1.00 0.00 O ATOM 663 CB ASP A 43 -21.957 -8.412 6.608 1.00 0.00 C ATOM 664 CG ASP A 43 -21.516 -9.745 6.035 1.00 0.00 C ATOM 665 OD1 ASP A 43 -20.978 -10.572 6.801 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.708 -9.962 4.819 1.00 0.00 O ATOM 0 H ASP A 43 -20.516 -7.899 4.652 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.197 -6.444 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.354 -8.564 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.768 -8.009 6.002 1.00 0.00 H new ATOM 671 N SER A 44 -18.520 -8.050 7.116 1.00 0.00 N ATOM 672 CA SER A 44 -17.406 -8.511 7.936 1.00 0.00 C ATOM 673 C SER A 44 -16.830 -7.368 8.767 1.00 0.00 C ATOM 674 O SER A 44 -16.912 -6.203 8.378 1.00 0.00 O ATOM 675 CB SER A 44 -16.313 -9.121 7.056 1.00 0.00 C ATOM 676 OG SER A 44 -15.204 -9.536 7.834 1.00 0.00 O ATOM 0 H SER A 44 -18.282 -7.874 6.140 1.00 0.00 H new ATOM 0 HA SER A 44 -17.782 -9.275 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.716 -9.973 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.988 -8.390 6.315 1.00 0.00 H new ATOM 0 HG SER A 44 -14.520 -9.924 7.249 1.00 0.00 H new ATOM 682 N GLU A 45 -16.250 -7.713 9.912 1.00 0.00 N ATOM 683 CA GLU A 45 -15.665 -6.717 10.803 1.00 0.00 C ATOM 684 C GLU A 45 -14.145 -6.695 10.674 1.00 0.00 C ATOM 685 O GLU A 45 -13.488 -5.755 11.123 1.00 0.00 O ATOM 686 CB GLU A 45 -16.064 -7.007 12.250 1.00 0.00 C ATOM 687 CG GLU A 45 -17.568 -7.030 12.468 1.00 0.00 C ATOM 688 CD GLU A 45 -17.945 -7.340 13.904 1.00 0.00 C ATOM 689 OE1 GLU A 45 -18.067 -8.537 14.239 1.00 0.00 O ATOM 690 OE2 GLU A 45 -18.122 -6.387 14.691 1.00 0.00 O ATOM 0 H GLU A 45 -16.172 -8.674 10.245 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.047 -5.737 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.646 -7.968 12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.622 -6.252 12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.987 -6.064 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.015 -7.775 11.810 1.00 0.00 H new ATOM 697 N LYS A 46 -13.593 -7.736 10.058 1.00 0.00 N ATOM 698 CA LYS A 46 -12.158 -7.841 9.866 1.00 0.00 C ATOM 699 C LYS A 46 -11.747 -7.224 8.531 1.00 0.00 C ATOM 700 O LYS A 46 -10.601 -6.805 8.353 1.00 0.00 O ATOM 701 CB LYS A 46 -11.741 -9.312 9.935 1.00 0.00 C ATOM 702 CG LYS A 46 -10.450 -9.617 9.206 1.00 0.00 C ATOM 703 CD LYS A 46 -9.922 -10.997 9.559 1.00 0.00 C ATOM 704 CE LYS A 46 -8.640 -11.314 8.807 1.00 0.00 C ATOM 705 NZ LYS A 46 -7.573 -10.311 9.081 1.00 0.00 N ATOM 0 H LYS A 46 -14.125 -8.521 9.683 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.650 -7.290 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.634 -9.601 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.538 -9.926 9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.615 -9.554 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.702 -8.865 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.739 -11.054 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.677 -11.747 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.288 -12.306 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.845 -11.343 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.661 -10.671 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.800 -9.421 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.512 -10.140 10.105 1.00 0.00 H new ATOM 719 N CYS A 47 -12.694 -7.162 7.601 1.00 0.00 N ATOM 720 CA CYS A 47 -12.437 -6.597 6.281 1.00 0.00 C ATOM 721 C CYS A 47 -12.141 -5.103 6.372 1.00 0.00 C ATOM 722 O CYS A 47 -11.663 -4.496 5.413 1.00 0.00 O ATOM 723 CB CYS A 47 -13.638 -6.833 5.363 1.00 0.00 C ATOM 724 SG CYS A 47 -15.124 -5.924 5.846 1.00 0.00 S ATOM 0 H CYS A 47 -13.648 -7.497 7.737 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.562 -7.096 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.366 -6.550 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -13.866 -7.899 5.347 1.00 0.00 H new ATOM 0 HG CYS A 47 -15.432 -6.217 7.075 1.00 0.00 H new ATOM 730 N LYS A 48 -12.426 -4.515 7.530 1.00 0.00 N ATOM 731 CA LYS A 48 -12.189 -3.092 7.745 1.00 0.00 C ATOM 732 C LYS A 48 -10.695 -2.786 7.793 1.00 0.00 C ATOM 733 O LYS A 48 -10.291 -1.624 7.773 1.00 0.00 O ATOM 734 CB LYS A 48 -12.860 -2.630 9.040 1.00 0.00 C ATOM 735 CG LYS A 48 -14.363 -2.857 9.060 1.00 0.00 C ATOM 736 CD LYS A 48 -14.984 -2.388 10.367 1.00 0.00 C ATOM 737 CE LYS A 48 -16.483 -2.638 10.393 1.00 0.00 C ATOM 738 NZ LYS A 48 -17.113 -2.127 11.642 1.00 0.00 N ATOM 0 H LYS A 48 -12.822 -5.002 8.334 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.623 -2.549 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.410 -3.157 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.659 -1.569 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.823 -2.325 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.573 -3.917 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.513 -2.907 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.789 -1.324 10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.946 -2.157 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.674 -3.707 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.135 -2.318 11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.690 -2.604 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.954 -1.102 11.717 1.00 0.00 H new ATOM 752 N GLU A 49 -9.879 -3.836 7.857 1.00 0.00 N ATOM 753 CA GLU A 49 -8.429 -3.675 7.906 1.00 0.00 C ATOM 754 C GLU A 49 -7.914 -3.024 6.626 1.00 0.00 C ATOM 755 O GLU A 49 -7.170 -2.042 6.671 1.00 0.00 O ATOM 756 CB GLU A 49 -7.751 -5.032 8.107 1.00 0.00 C ATOM 757 CG GLU A 49 -6.242 -4.943 8.276 1.00 0.00 C ATOM 758 CD GLU A 49 -5.591 -6.305 8.417 1.00 0.00 C ATOM 759 OE1 GLU A 49 -5.585 -6.846 9.543 1.00 0.00 O ATOM 760 OE2 GLU A 49 -5.085 -6.830 7.403 1.00 0.00 O ATOM 0 H GLU A 49 -10.197 -4.805 7.876 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.187 -3.027 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.178 -5.515 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.975 -5.670 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.814 -4.427 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.013 -4.342 9.156 1.00 0.00 H new ATOM 767 N PHE A 50 -8.319 -3.576 5.486 1.00 0.00 N ATOM 768 CA PHE A 50 -7.903 -3.051 4.191 1.00 0.00 C ATOM 769 C PHE A 50 -8.391 -1.619 4.006 1.00 0.00 C ATOM 770 O PHE A 50 -7.688 -0.782 3.440 1.00 0.00 O ATOM 771 CB PHE A 50 -8.432 -3.939 3.062 1.00 0.00 C ATOM 772 CG PHE A 50 -7.882 -5.337 3.088 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.693 -5.639 2.443 1.00 0.00 C ATOM 774 CD2 PHE A 50 -8.553 -6.348 3.756 1.00 0.00 C ATOM 775 CE1 PHE A 50 -6.185 -6.924 2.464 1.00 0.00 C ATOM 776 CE2 PHE A 50 -8.050 -7.635 3.779 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.864 -7.924 3.133 1.00 0.00 C ATOM 0 H PHE A 50 -8.935 -4.387 5.434 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.814 -3.050 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.519 -3.984 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.188 -3.479 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.158 -4.862 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.480 -6.128 4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.257 -7.146 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.584 -8.414 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.469 -8.929 3.151 1.00 0.00 H new ATOM 787 N ILE A 51 -9.600 -1.344 4.488 1.00 0.00 N ATOM 788 CA ILE A 51 -10.178 -0.009 4.380 1.00 0.00 C ATOM 789 C ILE A 51 -9.334 1.009 5.139 1.00 0.00 C ATOM 790 O ILE A 51 -9.023 2.081 4.622 1.00 0.00 O ATOM 791 CB ILE A 51 -11.622 0.027 4.922 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.467 -1.062 4.256 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.240 1.399 4.692 1.00 0.00 C ATOM 794 CD1 ILE A 51 -13.855 -1.201 4.844 1.00 0.00 C ATOM 0 H ILE A 51 -10.197 -2.026 4.956 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.194 0.248 3.321 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.597 -0.164 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.553 -0.842 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.948 -2.016 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.259 1.409 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.648 2.156 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.256 1.616 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.394 -1.991 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.779 -1.452 5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.393 -0.260 4.732 1.00 0.00 H new ATOM 806 N GLU A 52 -8.966 0.663 6.371 1.00 0.00 N ATOM 807 CA GLU A 52 -8.152 1.542 7.200 1.00 0.00 C ATOM 808 C GLU A 52 -6.809 1.814 6.534 1.00 0.00 C ATOM 809 O GLU A 52 -6.303 2.937 6.570 1.00 0.00 O ATOM 810 CB GLU A 52 -7.935 0.926 8.584 1.00 0.00 C ATOM 811 CG GLU A 52 -9.199 0.863 9.425 1.00 0.00 C ATOM 812 CD GLU A 52 -8.972 0.202 10.771 1.00 0.00 C ATOM 813 OE1 GLU A 52 -8.529 0.899 11.708 1.00 0.00 O ATOM 814 OE2 GLU A 52 -9.236 -1.014 10.887 1.00 0.00 O ATOM 0 H GLU A 52 -9.220 -0.220 6.815 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.683 2.487 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.536 -0.082 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.182 1.506 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.579 1.873 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.967 0.314 8.880 1.00 0.00 H new ATOM 821 N LYS A 53 -6.235 0.779 5.927 1.00 0.00 N ATOM 822 CA LYS A 53 -4.954 0.909 5.243 1.00 0.00 C ATOM 823 C LYS A 53 -5.049 1.933 4.115 1.00 0.00 C ATOM 824 O LYS A 53 -4.188 2.801 3.976 1.00 0.00 O ATOM 825 CB LYS A 53 -4.509 -0.444 4.692 1.00 0.00 C ATOM 826 CG LYS A 53 -3.264 -0.372 3.821 1.00 0.00 C ATOM 827 CD LYS A 53 -2.908 -1.734 3.247 1.00 0.00 C ATOM 828 CE LYS A 53 -1.670 -1.661 2.369 1.00 0.00 C ATOM 829 NZ LYS A 53 -0.475 -1.197 3.127 1.00 0.00 N ATOM 0 H LYS A 53 -6.637 -0.158 5.895 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.213 1.256 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.320 -1.121 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.324 -0.875 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.427 0.335 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.428 0.006 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.738 -2.440 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.747 -2.115 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.470 -2.644 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.856 -0.984 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.385 -1.399 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.546 -0.173 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.428 -1.694 4.039 1.00 0.00 H new ATOM 843 N TYR A 54 -6.103 1.821 3.312 1.00 0.00 N ATOM 844 CA TYR A 54 -6.320 2.737 2.197 1.00 0.00 C ATOM 845 C TYR A 54 -6.616 4.146 2.702 1.00 0.00 C ATOM 846 O TYR A 54 -6.320 5.134 2.030 1.00 0.00 O ATOM 847 CB TYR A 54 -7.477 2.238 1.323 1.00 0.00 C ATOM 848 CG TYR A 54 -7.964 3.251 0.310 1.00 0.00 C ATOM 849 CD1 TYR A 54 -7.274 3.467 -0.877 1.00 0.00 C ATOM 850 CD2 TYR A 54 -9.113 3.995 0.547 1.00 0.00 C ATOM 851 CE1 TYR A 54 -7.716 4.396 -1.799 1.00 0.00 C ATOM 852 CE2 TYR A 54 -9.561 4.926 -0.372 1.00 0.00 C ATOM 853 CZ TYR A 54 -8.860 5.123 -1.542 1.00 0.00 C ATOM 854 OH TYR A 54 -9.303 6.050 -2.457 1.00 0.00 O ATOM 0 H TYR A 54 -6.821 1.104 3.413 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.409 2.771 1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.160 1.337 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.309 1.954 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.378 2.900 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.665 3.844 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.169 4.552 -2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.456 5.496 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.706 6.827 -2.450 1.00 0.00 H new ATOM 864 N LYS A 55 -7.198 4.228 3.894 1.00 0.00 N ATOM 865 CA LYS A 55 -7.546 5.512 4.491 1.00 0.00 C ATOM 866 C LYS A 55 -6.297 6.288 4.903 1.00 0.00 C ATOM 867 O LYS A 55 -6.125 7.449 4.530 1.00 0.00 O ATOM 868 CB LYS A 55 -8.457 5.300 5.700 1.00 0.00 C ATOM 869 CG LYS A 55 -9.088 6.581 6.222 1.00 0.00 C ATOM 870 CD LYS A 55 -10.114 6.299 7.309 1.00 0.00 C ATOM 871 CE LYS A 55 -9.457 5.781 8.579 1.00 0.00 C ATOM 872 NZ LYS A 55 -10.450 5.557 9.665 1.00 0.00 N ATOM 0 H LYS A 55 -7.439 3.419 4.466 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.076 6.100 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.248 4.600 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.881 4.837 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.311 7.236 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.566 7.113 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.669 7.210 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.836 5.567 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.937 4.847 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.705 6.494 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.963 5.204 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.929 6.453 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.153 4.857 9.353 1.00 0.00 H new ATOM 886 N GLU A 56 -5.425 5.641 5.673 1.00 0.00 N ATOM 887 CA GLU A 56 -4.197 6.277 6.137 1.00 0.00 C ATOM 888 C GLU A 56 -3.262 6.590 4.970 1.00 0.00 C ATOM 889 O GLU A 56 -2.634 7.648 4.937 1.00 0.00 O ATOM 890 CB GLU A 56 -3.484 5.385 7.157 1.00 0.00 C ATOM 891 CG GLU A 56 -3.161 3.994 6.638 1.00 0.00 C ATOM 892 CD GLU A 56 -2.457 3.135 7.671 1.00 0.00 C ATOM 893 OE1 GLU A 56 -3.153 2.492 8.484 1.00 0.00 O ATOM 894 OE2 GLU A 56 -1.208 3.107 7.666 1.00 0.00 O ATOM 0 H GLU A 56 -5.547 4.678 5.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.469 7.217 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.559 5.871 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.109 5.295 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.083 3.502 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.533 4.078 5.751 1.00 0.00 H new ATOM 901 N CYS A 57 -3.176 5.666 4.016 1.00 0.00 N ATOM 902 CA CYS A 57 -2.317 5.851 2.850 1.00 0.00 C ATOM 903 C CYS A 57 -2.752 7.070 2.043 1.00 0.00 C ATOM 904 O CYS A 57 -1.943 7.951 1.749 1.00 0.00 O ATOM 905 CB CYS A 57 -2.340 4.603 1.965 1.00 0.00 C ATOM 906 SG CYS A 57 -1.509 3.169 2.691 1.00 0.00 S ATOM 0 H CYS A 57 -3.689 4.784 4.027 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.299 6.015 3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.376 4.340 1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.869 4.838 1.011 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.323 2.560 3.501 1.00 0.00 H new ATOM 912 N MET A 58 -4.034 7.116 1.690 1.00 0.00 N ATOM 913 CA MET A 58 -4.577 8.232 0.921 1.00 0.00 C ATOM 914 C MET A 58 -4.431 9.539 1.696 1.00 0.00 C ATOM 915 O MET A 58 -4.224 10.601 1.109 1.00 0.00 O ATOM 916 CB MET A 58 -6.051 7.979 0.591 1.00 0.00 C ATOM 917 CG MET A 58 -6.692 9.080 -0.239 1.00 0.00 C ATOM 918 SD MET A 58 -6.719 8.705 -2.004 1.00 0.00 S ATOM 919 CE MET A 58 -4.975 8.795 -2.406 1.00 0.00 C ATOM 0 H MET A 58 -4.716 6.394 1.924 1.00 0.00 H new ATOM 0 HA MET A 58 -4.015 8.315 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.136 7.035 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.608 7.867 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.712 9.242 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.149 10.011 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.857 8.977 -3.474 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.514 9.609 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.492 7.854 -2.143 1.00 0.00 H new ATOM 929 N LYS A 59 -4.541 9.450 3.018 1.00 0.00 N ATOM 930 CA LYS A 59 -4.418 10.622 3.877 1.00 0.00 C ATOM 931 C LYS A 59 -3.012 11.211 3.797 1.00 0.00 C ATOM 932 O LYS A 59 -2.840 12.429 3.752 1.00 0.00 O ATOM 933 CB LYS A 59 -4.747 10.255 5.325 1.00 0.00 C ATOM 934 CG LYS A 59 -4.634 11.421 6.295 1.00 0.00 C ATOM 935 CD LYS A 59 -5.657 12.504 5.991 1.00 0.00 C ATOM 936 CE LYS A 59 -5.541 13.664 6.966 1.00 0.00 C ATOM 937 NZ LYS A 59 -6.534 14.735 6.676 1.00 0.00 N ATOM 0 H LYS A 59 -4.715 8.578 3.517 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.127 11.373 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.761 9.856 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.077 9.459 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.776 11.062 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.630 11.843 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.514 12.866 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.661 12.083 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.687 13.299 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.534 14.080 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.422 15.508 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.379 15.101 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.496 14.345 6.747 1.00 0.00 H new ATOM 951 N GLY A 60 -2.010 10.337 3.780 1.00 0.00 N ATOM 952 CA GLY A 60 -0.632 10.787 3.710 1.00 0.00 C ATOM 953 C GLY A 60 -0.237 11.234 2.316 1.00 0.00 C ATOM 954 O GLY A 60 0.577 12.143 2.156 1.00 0.00 O ATOM 0 H GLY A 60 -2.128 9.324 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.487 11.612 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.027 9.980 4.030 1.00 0.00 H new ATOM 958 N TYR A 61 -0.812 10.589 1.306 1.00 0.00 N ATOM 959 CA TYR A 61 -0.522 10.922 -0.082 1.00 0.00 C ATOM 960 C TYR A 61 -0.838 12.388 -0.371 1.00 0.00 C ATOM 961 O TYR A 61 -0.151 13.036 -1.161 1.00 0.00 O ATOM 962 CB TYR A 61 -1.322 10.015 -1.019 1.00 0.00 C ATOM 963 CG TYR A 61 -1.167 10.360 -2.481 1.00 0.00 C ATOM 964 CD1 TYR A 61 0.060 10.226 -3.120 1.00 0.00 C ATOM 965 CD2 TYR A 61 -2.246 10.822 -3.222 1.00 0.00 C ATOM 966 CE1 TYR A 61 0.205 10.544 -4.457 1.00 0.00 C ATOM 967 CE2 TYR A 61 -2.109 11.140 -4.560 1.00 0.00 C ATOM 968 CZ TYR A 61 -0.881 10.999 -5.171 1.00 0.00 C ATOM 969 OH TYR A 61 -0.741 11.317 -6.503 1.00 0.00 O ATOM 0 H TYR A 61 -1.484 9.830 1.425 1.00 0.00 H new ATOM 0 HA TYR A 61 0.542 10.763 -0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.010 8.982 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.377 10.072 -0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.913 9.868 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.208 10.935 -2.745 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.165 10.436 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.959 11.497 -5.123 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.602 11.621 -6.859 1.00 0.00 H new ATOM 979 N GLY A 62 -1.881 12.905 0.274 1.00 0.00 N ATOM 980 CA GLY A 62 -2.265 14.291 0.073 1.00 0.00 C ATOM 981 C GLY A 62 -3.602 14.433 -0.628 1.00 0.00 C ATOM 982 O GLY A 62 -3.768 15.294 -1.492 1.00 0.00 O ATOM 0 H GLY A 62 -2.466 12.389 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.311 14.795 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.497 14.795 -0.513 1.00 0.00 H new ATOM 986 N PHE A 63 -4.558 13.588 -0.253 1.00 0.00 N ATOM 987 CA PHE A 63 -5.887 13.622 -0.851 1.00 0.00 C ATOM 988 C PHE A 63 -6.925 13.055 0.112 1.00 0.00 C ATOM 989 O PHE A 63 -6.679 12.051 0.781 1.00 0.00 O ATOM 990 CB PHE A 63 -5.896 12.831 -2.162 1.00 0.00 C ATOM 991 CG PHE A 63 -7.155 13.007 -2.965 1.00 0.00 C ATOM 992 CD1 PHE A 63 -7.365 14.161 -3.704 1.00 0.00 C ATOM 993 CD2 PHE A 63 -8.124 12.018 -2.982 1.00 0.00 C ATOM 994 CE1 PHE A 63 -8.521 14.323 -4.445 1.00 0.00 C ATOM 995 CE2 PHE A 63 -9.282 12.175 -3.720 1.00 0.00 C ATOM 996 CZ PHE A 63 -9.480 13.330 -4.453 1.00 0.00 C ATOM 0 H PHE A 63 -4.436 12.871 0.463 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.143 14.660 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.043 13.138 -2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.763 11.772 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.618 14.941 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.973 11.113 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.674 15.226 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.031 11.397 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.384 13.455 -5.031 1.00 0.00 H new ATOM 1006 N GLU A 64 -8.083 13.705 0.182 1.00 0.00 N ATOM 1007 CA GLU A 64 -9.155 13.263 1.070 1.00 0.00 C ATOM 1008 C GLU A 64 -9.644 11.870 0.687 1.00 0.00 C ATOM 1009 O GLU A 64 -9.161 11.273 -0.274 1.00 0.00 O ATOM 1010 CB GLU A 64 -10.324 14.252 1.033 1.00 0.00 C ATOM 1011 CG GLU A 64 -10.007 15.600 1.664 1.00 0.00 C ATOM 1012 CD GLU A 64 -8.961 16.378 0.889 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -9.334 17.078 -0.075 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -7.767 16.287 1.247 1.00 0.00 O ATOM 0 H GLU A 64 -8.303 14.538 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.754 13.223 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.624 14.408 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.177 13.811 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.921 16.191 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.657 15.445 2.685 1.00 0.00 H new ATOM 1021 N VAL A 65 -10.602 11.353 1.449 1.00 0.00 N ATOM 1022 CA VAL A 65 -11.154 10.030 1.183 1.00 0.00 C ATOM 1023 C VAL A 65 -12.654 10.111 0.894 1.00 0.00 C ATOM 1024 O VAL A 65 -13.478 9.842 1.768 1.00 0.00 O ATOM 1025 CB VAL A 65 -10.915 9.069 2.366 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -11.368 7.659 2.014 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -9.449 9.078 2.774 1.00 0.00 C ATOM 0 H VAL A 65 -11.011 11.828 2.253 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.638 9.641 0.305 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.508 9.414 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.191 6.997 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.432 7.667 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.806 7.301 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.300 8.394 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.835 8.761 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.161 10.086 3.074 1.00 0.00 H new ATOM 1037 N PRO A 66 -13.028 10.499 -0.341 1.00 0.00 N ATOM 1038 CA PRO A 66 -14.429 10.610 -0.742 1.00 0.00 C ATOM 1039 C PRO A 66 -15.013 9.267 -1.165 1.00 0.00 C ATOM 1040 O PRO A 66 -16.231 9.099 -1.229 1.00 0.00 O ATOM 1041 CB PRO A 66 -14.362 11.566 -1.929 1.00 0.00 C ATOM 1042 CG PRO A 66 -13.038 11.290 -2.557 1.00 0.00 C ATOM 1043 CD PRO A 66 -12.113 10.864 -1.443 1.00 0.00 C ATOM 0 HA PRO A 66 -15.072 10.953 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -15.178 11.387 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.440 12.604 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.122 10.508 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.655 12.178 -3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.490 10.020 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.440 11.670 -1.153 1.00 0.00 H new ATOM 1051 N SER A 67 -14.131 8.312 -1.450 1.00 0.00 N ATOM 1052 CA SER A 67 -14.552 6.980 -1.867 1.00 0.00 C ATOM 1053 C SER A 67 -14.600 6.028 -0.676 1.00 0.00 C ATOM 1054 O SER A 67 -13.778 6.118 0.236 1.00 0.00 O ATOM 1055 CB SER A 67 -13.601 6.432 -2.933 1.00 0.00 C ATOM 1056 OG SER A 67 -13.992 5.134 -3.348 1.00 0.00 O ATOM 0 H SER A 67 -13.120 8.437 -1.399 1.00 0.00 H new ATOM 0 HA SER A 67 -15.554 7.058 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.587 7.103 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.586 6.400 -2.537 1.00 0.00 H new ATOM 0 HG SER A 67 -13.369 4.807 -4.031 1.00 0.00 H new ATOM 1062 N ALA A 68 -15.568 5.116 -0.692 1.00 0.00 N ATOM 1063 CA ALA A 68 -15.724 4.147 0.386 1.00 0.00 C ATOM 1064 C ALA A 68 -16.235 2.813 -0.147 1.00 0.00 C ATOM 1065 O ALA A 68 -15.753 1.750 0.247 1.00 0.00 O ATOM 1066 CB ALA A 68 -16.665 4.688 1.451 1.00 0.00 C ATOM 0 H ALA A 68 -16.256 5.029 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.745 3.979 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.772 3.954 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.258 5.613 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -17.641 4.886 1.008 1.00 0.00 H new ATOM 1072 N ASN A 69 -17.214 2.874 -1.044 1.00 0.00 N ATOM 1073 CA ASN A 69 -17.790 1.669 -1.631 1.00 0.00 C ATOM 1074 C ASN A 69 -16.949 1.183 -2.807 1.00 0.00 C ATOM 1075 O ASN A 69 -17.188 1.653 -3.940 1.00 0.00 O ATOM 1076 CB ASN A 69 -19.228 1.933 -2.087 1.00 0.00 C ATOM 1077 CG ASN A 69 -20.136 2.338 -0.940 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -19.689 2.931 0.041 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -21.419 2.021 -1.061 1.00 0.00 N ATOM 1080 OXT ASN A 69 -16.056 0.339 -2.585 1.00 0.00 O ATOM 0 H ASN A 69 -17.625 3.745 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 69 -17.798 0.891 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -19.228 2.720 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -19.626 1.036 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -22.078 2.270 -0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -21.747 1.529 -1.892 1.00 0.00 H new TER 1087 ASN A 69