USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 52 SER OG : rot 180:sc= 0.068 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.398 F(o=-4.7!,f=-0.33) USER MOD Set 2.1: A 50 THR OG1 : rot 127:sc= 0.00653 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -1.16! C(o=-6.7!,f=-3.8!) USER MOD Set 2.3: A 69 CYS SG : rot 180:sc= -2.69! USER MOD Set 3.1: A 33 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.778) USER MOD Set 3.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 170:sc= -0.0314 (180deg=-0.198) USER MOD Set 5.1: A 16 LYS NZ :NH3+ -178:sc= 3.05 (180deg=3.12) USER MOD Set 5.2: A 19 ASN : amide:sc= -0.287 K(o=2.8,f=-4.4!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 137:sc= 0.0437 USER MOD Single : A 15 SER OG : rot 180:sc= 0.052 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -110:sc= -0.526 (180deg=-2.39!) USER MOD Single : A 25 SER OG : rot 66:sc= -0.754 USER MOD Single : A 26 ASN : amide:sc= -1.25 K(o=-1.2,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 67:sc= 1.28 USER MOD Single : A 39 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.1) USER MOD Single : A 42 SER OG : rot 90:sc= 1.26 USER MOD Single : A 45 TYR OH : rot 130:sc= -0.999 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -2.46! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.1 K(o=-2.1,f=-5.8!) USER MOD Single : A 62 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.22) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 70 THR OG1 : rot -35:sc= 0.83 USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.966 -2.001 6.022 1.00 0.00 N ATOM 39 CA LYS A 3 -18.755 -1.524 5.387 1.00 0.00 C ATOM 40 C LYS A 3 -17.548 -2.149 6.062 1.00 0.00 C ATOM 41 O LYS A 3 -17.568 -2.401 7.267 1.00 0.00 O ATOM 42 CB LYS A 3 -18.669 -0.004 5.465 1.00 0.00 C ATOM 43 CG LYS A 3 -19.766 0.705 4.694 1.00 0.00 C ATOM 44 CD LYS A 3 -19.620 2.213 4.781 1.00 0.00 C ATOM 45 CE LYS A 3 -20.662 2.916 3.933 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.506 4.392 3.980 1.00 0.00 N ATOM 0 HA LYS A 3 -18.772 -1.812 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.715 0.301 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.701 0.317 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.737 0.395 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.739 0.409 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.718 2.531 5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.623 2.504 4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.582 2.575 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.658 2.644 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.236 4.837 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.608 4.721 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.565 4.653 3.623 1.00 0.00 H new ATOM 60 N ASP A 4 -16.505 -2.401 5.292 1.00 0.00 N ATOM 61 CA ASP A 4 -15.324 -3.066 5.815 1.00 0.00 C ATOM 62 C ASP A 4 -14.054 -2.370 5.367 1.00 0.00 C ATOM 63 O ASP A 4 -14.003 -1.775 4.294 1.00 0.00 O ATOM 64 CB ASP A 4 -15.295 -4.534 5.391 1.00 0.00 C ATOM 65 CG ASP A 4 -16.097 -5.417 6.324 1.00 0.00 C ATOM 66 OD1 ASP A 4 -15.579 -5.749 7.414 1.00 0.00 O ATOM 67 OD2 ASP A 4 -17.241 -5.788 5.980 1.00 0.00 O ATOM 0 H ASP A 4 -16.451 -2.156 4.303 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.375 -3.015 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.689 -4.626 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.262 -4.882 5.363 1.00 0.00 H new ATOM 72 N ILE A 5 -13.042 -2.432 6.216 1.00 0.00 N ATOM 73 CA ILE A 5 -11.736 -1.879 5.912 1.00 0.00 C ATOM 74 C ILE A 5 -11.135 -2.578 4.698 1.00 0.00 C ATOM 75 O ILE A 5 -10.787 -3.762 4.761 1.00 0.00 O ATOM 76 CB ILE A 5 -10.774 -2.029 7.112 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.310 -1.272 8.333 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.380 -1.542 6.747 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.475 0.218 8.112 1.00 0.00 C ATOM 0 H ILE A 5 -13.104 -2.868 7.136 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.868 -0.819 5.697 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.709 -3.087 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.274 -1.696 8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.633 -1.431 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.718 -1.656 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.996 -2.129 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.425 -0.491 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.858 0.681 9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.510 0.658 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.176 0.389 7.295 1.00 0.00 H new ATOM 91 N PHE A 6 -11.040 -1.854 3.594 1.00 0.00 N ATOM 92 CA PHE A 6 -10.463 -2.400 2.377 1.00 0.00 C ATOM 93 C PHE A 6 -8.976 -2.665 2.581 1.00 0.00 C ATOM 94 O PHE A 6 -8.183 -1.737 2.739 1.00 0.00 O ATOM 95 CB PHE A 6 -10.683 -1.441 1.204 1.00 0.00 C ATOM 96 CG PHE A 6 -10.247 -1.991 -0.126 1.00 0.00 C ATOM 97 CD1 PHE A 6 -11.048 -2.885 -0.816 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.040 -1.606 -0.688 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.652 -3.389 -2.040 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.639 -2.108 -1.910 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.446 -3.000 -2.588 1.00 0.00 C ATOM 0 H PHE A 6 -11.355 -0.887 3.516 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.958 -3.343 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.741 -1.185 1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.141 -0.515 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.993 -3.192 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.406 -0.906 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.285 -4.087 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.694 -1.803 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 6 -9.135 -3.392 -3.545 1.00 0.00 H new ATOM 111 N THR A 7 -8.618 -3.938 2.611 1.00 0.00 N ATOM 112 CA THR A 7 -7.239 -4.343 2.809 1.00 0.00 C ATOM 113 C THR A 7 -6.790 -5.233 1.657 1.00 0.00 C ATOM 114 O THR A 7 -7.467 -6.204 1.317 1.00 0.00 O ATOM 115 CB THR A 7 -7.077 -5.101 4.142 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.742 -4.382 5.191 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.607 -5.276 4.497 1.00 0.00 C ATOM 0 H THR A 7 -9.271 -4.714 2.500 1.00 0.00 H new ATOM 0 HA THR A 7 -6.619 -3.447 2.841 1.00 0.00 H new ATOM 0 HB THR A 7 -7.524 -6.089 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.639 -4.867 6.036 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.522 -5.814 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.108 -5.843 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.137 -4.297 4.593 1.00 0.00 H new ATOM 125 N SER A 8 -5.670 -4.891 1.042 1.00 0.00 N ATOM 126 CA SER A 8 -5.165 -5.644 -0.097 1.00 0.00 C ATOM 127 C SER A 8 -3.655 -5.473 -0.216 1.00 0.00 C ATOM 128 O SER A 8 -3.053 -4.700 0.524 1.00 0.00 O ATOM 129 CB SER A 8 -5.865 -5.191 -1.385 1.00 0.00 C ATOM 130 OG SER A 8 -7.269 -5.400 -1.297 1.00 0.00 O ATOM 0 H SER A 8 -5.091 -4.096 1.312 1.00 0.00 H new ATOM 0 HA SER A 8 -5.379 -6.701 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.660 -4.135 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.463 -5.742 -2.236 1.00 0.00 H new ATOM 0 HG SER A 8 -7.739 -4.619 -1.657 1.00 0.00 H new ATOM 136 N VAL A 9 -3.051 -6.204 -1.133 1.00 0.00 N ATOM 137 CA VAL A 9 -1.619 -6.132 -1.354 1.00 0.00 C ATOM 138 C VAL A 9 -1.339 -5.630 -2.763 1.00 0.00 C ATOM 139 O VAL A 9 -1.832 -6.194 -3.742 1.00 0.00 O ATOM 140 CB VAL A 9 -0.942 -7.508 -1.153 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.565 -7.396 -1.305 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.296 -8.093 0.208 1.00 0.00 C ATOM 0 H VAL A 9 -3.536 -6.862 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.204 -5.439 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.316 -8.181 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.019 -8.376 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.804 -7.030 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.955 -6.701 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.808 -9.061 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.957 -7.418 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.376 -8.220 0.280 1.00 0.00 H new ATOM 152 N VAL A 10 -0.559 -4.569 -2.867 1.00 0.00 N ATOM 153 CA VAL A 10 -0.245 -3.984 -4.159 1.00 0.00 C ATOM 154 C VAL A 10 1.182 -4.318 -4.567 1.00 0.00 C ATOM 155 O VAL A 10 2.029 -4.610 -3.720 1.00 0.00 O ATOM 156 CB VAL A 10 -0.444 -2.451 -4.169 1.00 0.00 C ATOM 157 CG1 VAL A 10 -1.901 -2.096 -3.915 1.00 0.00 C ATOM 158 CG2 VAL A 10 0.461 -1.777 -3.148 1.00 0.00 C ATOM 0 H VAL A 10 -0.131 -4.094 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.940 -4.417 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.170 -2.082 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.019 -1.012 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.524 -2.537 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.206 -2.484 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.301 -0.699 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.229 -2.153 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.502 -1.996 -3.384 1.00 0.00 H new ATOM 168 N ARG A 11 1.445 -4.277 -5.865 1.00 0.00 N ATOM 169 CA ARG A 11 2.748 -4.643 -6.397 1.00 0.00 C ATOM 170 C ARG A 11 3.643 -3.413 -6.460 1.00 0.00 C ATOM 171 O ARG A 11 3.355 -2.453 -7.173 1.00 0.00 O ATOM 172 CB ARG A 11 2.590 -5.285 -7.778 1.00 0.00 C ATOM 173 CG ARG A 11 1.486 -6.332 -7.817 1.00 0.00 C ATOM 174 CD ARG A 11 1.432 -7.064 -9.146 1.00 0.00 C ATOM 175 NE ARG A 11 2.489 -8.066 -9.266 1.00 0.00 N ATOM 176 CZ ARG A 11 2.255 -9.371 -9.410 1.00 0.00 C ATOM 177 NH1 ARG A 11 1.009 -9.825 -9.438 1.00 0.00 N ATOM 178 NH2 ARG A 11 3.268 -10.221 -9.524 1.00 0.00 N ATOM 0 H ARG A 11 0.768 -3.992 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 11 3.217 -5.374 -5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.375 -4.509 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.533 -5.747 -8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.643 -7.052 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.526 -5.851 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.461 -7.548 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.522 -6.344 -9.960 1.00 0.00 H new ATOM 0 HE ARG A 11 3.458 -7.750 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.227 -9.176 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.832 -10.824 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.228 -9.877 -9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.087 -11.219 -9.634 1.00 0.00 H new ATOM 192 N VAL A 12 4.724 -3.454 -5.700 1.00 0.00 N ATOM 193 CA VAL A 12 5.589 -2.299 -5.519 1.00 0.00 C ATOM 194 C VAL A 12 6.912 -2.493 -6.246 1.00 0.00 C ATOM 195 O VAL A 12 7.483 -3.583 -6.239 1.00 0.00 O ATOM 196 CB VAL A 12 5.884 -2.065 -4.024 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.512 -0.702 -3.794 1.00 0.00 C ATOM 198 CG2 VAL A 12 4.623 -2.218 -3.201 1.00 0.00 C ATOM 0 H VAL A 12 5.027 -4.285 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 12 5.067 -1.436 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 12 6.600 -2.821 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.708 -0.567 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.449 -0.635 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.830 0.076 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.852 -2.049 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.882 -1.491 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.225 -3.225 -3.328 1.00 0.00 H new ATOM 208 N ARG A 13 7.408 -1.429 -6.850 1.00 0.00 N ATOM 209 CA ARG A 13 8.683 -1.467 -7.541 1.00 0.00 C ATOM 210 C ARG A 13 9.785 -0.925 -6.631 1.00 0.00 C ATOM 211 O ARG A 13 9.504 -0.236 -5.651 1.00 0.00 O ATOM 212 CB ARG A 13 8.601 -0.650 -8.836 1.00 0.00 C ATOM 213 CG ARG A 13 7.579 -1.182 -9.829 1.00 0.00 C ATOM 214 CD ARG A 13 7.561 -0.358 -11.110 1.00 0.00 C ATOM 215 NE ARG A 13 6.641 -0.906 -12.111 1.00 0.00 N ATOM 216 CZ ARG A 13 7.041 -1.439 -13.269 1.00 0.00 C ATOM 217 NH1 ARG A 13 8.335 -1.526 -13.547 1.00 0.00 N ATOM 218 NH2 ARG A 13 6.150 -1.879 -14.147 1.00 0.00 N ATOM 0 H ARG A 13 6.943 -0.522 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 13 8.922 -2.499 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.352 0.382 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.583 -0.637 -9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.808 -2.221 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.589 -1.170 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.272 0.667 -10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.567 -0.318 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 13 5.641 -0.879 -11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.025 -1.186 -12.877 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.640 -1.933 -14.431 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.154 -1.811 -13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.461 -2.285 -15.029 1.00 0.00 H new ATOM 232 N GLY A 14 11.026 -1.287 -6.918 1.00 0.00 N ATOM 233 CA GLY A 14 12.150 -0.746 -6.176 1.00 0.00 C ATOM 234 C GLY A 14 12.999 -1.836 -5.555 1.00 0.00 C ATOM 235 O GLY A 14 12.512 -2.944 -5.324 1.00 0.00 O ATOM 0 H GLY A 14 11.277 -1.948 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.766 -0.142 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.782 -0.083 -5.393 1.00 0.00 H new ATOM 239 N SER A 15 14.254 -1.521 -5.258 1.00 0.00 N ATOM 240 CA SER A 15 15.184 -2.485 -4.675 1.00 0.00 C ATOM 241 C SER A 15 14.978 -2.601 -3.164 1.00 0.00 C ATOM 242 O SER A 15 15.931 -2.637 -2.387 1.00 0.00 O ATOM 243 CB SER A 15 16.622 -2.067 -4.995 1.00 0.00 C ATOM 244 OG SER A 15 16.798 -0.667 -4.828 1.00 0.00 O ATOM 0 H SER A 15 14.656 -0.596 -5.413 1.00 0.00 H new ATOM 0 HA SER A 15 14.992 -3.466 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.313 -2.603 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.866 -2.347 -6.020 1.00 0.00 H new ATOM 0 HG SER A 15 17.725 -0.427 -5.037 1.00 0.00 H new ATOM 250 N LYS A 16 13.721 -2.697 -2.766 1.00 0.00 N ATOM 251 CA LYS A 16 13.352 -2.761 -1.359 1.00 0.00 C ATOM 252 C LYS A 16 13.092 -4.205 -0.923 1.00 0.00 C ATOM 253 O LYS A 16 12.245 -4.460 -0.065 1.00 0.00 O ATOM 254 CB LYS A 16 12.128 -1.864 -1.099 1.00 0.00 C ATOM 255 CG LYS A 16 11.126 -1.796 -2.251 1.00 0.00 C ATOM 256 CD LYS A 16 10.408 -3.117 -2.462 1.00 0.00 C ATOM 257 CE LYS A 16 9.367 -3.033 -3.562 1.00 0.00 C ATOM 258 NZ LYS A 16 9.884 -3.562 -4.852 1.00 0.00 N ATOM 0 H LYS A 16 12.928 -2.733 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 16 14.184 -2.391 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.613 -2.226 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.475 -0.855 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.394 -1.014 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.646 -1.516 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.136 -3.889 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.928 -3.420 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.481 -3.595 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.058 -1.996 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.156 -3.457 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.735 -3.032 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.123 -4.568 -4.744 1.00 0.00 H new ATOM 272 N LYS A 17 13.847 -5.135 -1.526 1.00 0.00 N ATOM 273 CA LYS A 17 13.764 -6.573 -1.228 1.00 0.00 C ATOM 274 C LYS A 17 12.452 -7.188 -1.723 1.00 0.00 C ATOM 275 O LYS A 17 12.463 -8.110 -2.540 1.00 0.00 O ATOM 276 CB LYS A 17 13.958 -6.841 0.276 1.00 0.00 C ATOM 277 CG LYS A 17 13.787 -8.301 0.682 1.00 0.00 C ATOM 278 CD LYS A 17 14.701 -9.227 -0.110 1.00 0.00 C ATOM 279 CE LYS A 17 14.520 -10.678 0.311 1.00 0.00 C ATOM 280 NZ LYS A 17 15.246 -11.621 -0.582 1.00 0.00 N ATOM 0 H LYS A 17 14.539 -4.908 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 17 14.576 -7.057 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.955 -6.510 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.246 -6.235 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.997 -8.408 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.750 -8.600 0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.490 -9.126 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.739 -8.930 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.875 -10.804 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.458 -10.924 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.093 -12.596 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.890 -11.522 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.263 -11.405 -0.562 1.00 0.00 H new ATOM 294 N TYR A 18 11.335 -6.679 -1.234 1.00 0.00 N ATOM 295 CA TYR A 18 10.030 -7.202 -1.606 1.00 0.00 C ATOM 296 C TYR A 18 9.588 -6.641 -2.952 1.00 0.00 C ATOM 297 O TYR A 18 10.331 -5.908 -3.601 1.00 0.00 O ATOM 298 CB TYR A 18 8.994 -6.856 -0.534 1.00 0.00 C ATOM 299 CG TYR A 18 9.263 -7.494 0.808 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.801 -8.772 1.092 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.974 -6.819 1.792 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.037 -9.359 2.318 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.216 -7.400 3.021 1.00 0.00 C ATOM 304 CZ TYR A 18 9.747 -8.670 3.279 1.00 0.00 C ATOM 305 OH TYR A 18 9.983 -9.251 4.501 1.00 0.00 O ATOM 0 H TYR A 18 11.305 -5.901 -0.575 1.00 0.00 H new ATOM 0 HA TYR A 18 10.109 -8.286 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.962 -5.774 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.009 -7.167 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.248 -9.316 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.343 -5.824 1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.668 -10.353 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.770 -6.862 3.776 1.00 0.00 H new ATOM 0 HH TYR A 18 10.497 -8.634 5.063 1.00 0.00 H new ATOM 315 N ASN A 19 8.388 -7.007 -3.371 1.00 0.00 N ATOM 316 CA ASN A 19 7.784 -6.448 -4.573 1.00 0.00 C ATOM 317 C ASN A 19 6.285 -6.278 -4.380 1.00 0.00 C ATOM 318 O ASN A 19 5.549 -6.010 -5.330 1.00 0.00 O ATOM 319 CB ASN A 19 8.071 -7.332 -5.792 1.00 0.00 C ATOM 320 CG ASN A 19 9.383 -6.978 -6.471 1.00 0.00 C ATOM 321 OD1 ASN A 19 9.790 -5.814 -6.497 1.00 0.00 O ATOM 322 ND2 ASN A 19 10.061 -7.977 -7.011 1.00 0.00 N ATOM 0 H ASN A 19 7.807 -7.695 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 19 8.227 -5.469 -4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.097 -8.377 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.256 -7.232 -6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.954 -7.798 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.691 -8.926 -6.969 1.00 0.00 H new ATOM 329 N VAL A 20 5.844 -6.427 -3.135 1.00 0.00 N ATOM 330 CA VAL A 20 4.447 -6.217 -2.769 1.00 0.00 C ATOM 331 C VAL A 20 4.357 -5.642 -1.356 1.00 0.00 C ATOM 332 O VAL A 20 5.208 -5.932 -0.510 1.00 0.00 O ATOM 333 CB VAL A 20 3.611 -7.523 -2.829 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.423 -8.001 -4.261 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.245 -8.618 -1.982 1.00 0.00 C ATOM 0 H VAL A 20 6.442 -6.696 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 20 4.035 -5.519 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 20 2.627 -7.296 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.833 -8.918 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.904 -7.234 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.397 -8.195 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.639 -9.522 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.248 -8.829 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.303 -8.288 -0.945 1.00 0.00 H new ATOM 345 N VAL A 21 3.351 -4.810 -1.106 1.00 0.00 N ATOM 346 CA VAL A 21 3.124 -4.279 0.235 1.00 0.00 C ATOM 347 C VAL A 21 1.632 -4.293 0.573 1.00 0.00 C ATOM 348 O VAL A 21 0.791 -3.934 -0.255 1.00 0.00 O ATOM 349 CB VAL A 21 3.694 -2.842 0.400 1.00 0.00 C ATOM 350 CG1 VAL A 21 2.876 -1.817 -0.373 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.780 -2.456 1.869 1.00 0.00 C ATOM 0 H VAL A 21 2.684 -4.490 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 21 3.657 -4.927 0.930 1.00 0.00 H new ATOM 0 HB VAL A 21 4.701 -2.845 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.307 -0.826 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.885 -2.069 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.849 -1.821 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.182 -1.447 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.785 -2.491 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.435 -3.154 2.391 1.00 0.00 H new ATOM 361 N PRO A 22 1.281 -4.769 1.777 1.00 0.00 N ATOM 362 CA PRO A 22 -0.096 -4.744 2.268 1.00 0.00 C ATOM 363 C PRO A 22 -0.568 -3.328 2.597 1.00 0.00 C ATOM 364 O PRO A 22 -0.027 -2.666 3.491 1.00 0.00 O ATOM 365 CB PRO A 22 -0.056 -5.595 3.546 1.00 0.00 C ATOM 366 CG PRO A 22 1.261 -6.296 3.516 1.00 0.00 C ATOM 367 CD PRO A 22 2.185 -5.408 2.738 1.00 0.00 C ATOM 0 HA PRO A 22 -0.791 -5.119 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.149 -4.972 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.880 -6.308 3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.638 -6.462 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.171 -7.275 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.679 -4.677 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.970 -5.977 2.240 1.00 0.00 H new ATOM 375 N VAL A 23 -1.567 -2.870 1.860 1.00 0.00 N ATOM 376 CA VAL A 23 -2.159 -1.564 2.080 1.00 0.00 C ATOM 377 C VAL A 23 -3.521 -1.716 2.752 1.00 0.00 C ATOM 378 O VAL A 23 -4.201 -2.731 2.580 1.00 0.00 O ATOM 379 CB VAL A 23 -2.317 -0.775 0.758 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.964 -0.531 0.118 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.231 -1.505 -0.208 1.00 0.00 C ATOM 0 H VAL A 23 -1.989 -3.394 1.093 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.487 -1.002 2.728 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.771 0.187 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.096 0.025 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.337 0.044 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.485 -1.486 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.324 -0.928 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.812 -2.485 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.215 -1.627 0.244 1.00 0.00 H new ATOM 391 N LYS A 24 -3.906 -0.716 3.519 1.00 0.00 N ATOM 392 CA LYS A 24 -5.164 -0.743 4.241 1.00 0.00 C ATOM 393 C LYS A 24 -5.873 0.600 4.121 1.00 0.00 C ATOM 394 O LYS A 24 -5.261 1.608 3.763 1.00 0.00 O ATOM 395 CB LYS A 24 -4.923 -1.086 5.717 1.00 0.00 C ATOM 396 CG LYS A 24 -3.865 -0.216 6.380 1.00 0.00 C ATOM 397 CD LYS A 24 -3.630 -0.589 7.841 1.00 0.00 C ATOM 398 CE LYS A 24 -4.738 -0.079 8.757 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.940 -0.955 8.750 1.00 0.00 N ATOM 0 H LYS A 24 -3.360 0.134 3.660 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.799 -1.512 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.861 -0.983 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.623 -2.131 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.928 -0.307 5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.169 0.829 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.559 -1.673 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.674 -0.180 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.355 -0.003 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.025 0.926 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.723 -0.467 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.723 -1.839 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.216 -1.173 9.729 1.00 0.00 H new ATOM 413 N SER A 25 -7.155 0.606 4.430 1.00 0.00 N ATOM 414 CA SER A 25 -7.951 1.819 4.379 1.00 0.00 C ATOM 415 C SER A 25 -8.298 2.260 5.794 1.00 0.00 C ATOM 416 O SER A 25 -8.726 1.451 6.611 1.00 0.00 O ATOM 417 CB SER A 25 -9.227 1.565 3.579 1.00 0.00 C ATOM 418 OG SER A 25 -8.927 1.033 2.302 1.00 0.00 O ATOM 0 H SER A 25 -7.672 -0.223 4.722 1.00 0.00 H new ATOM 0 HA SER A 25 -7.380 2.608 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.870 0.873 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.782 2.496 3.468 1.00 0.00 H new ATOM 0 HG SER A 25 -8.530 0.143 2.404 1.00 0.00 H new ATOM 424 N ASN A 26 -8.092 3.536 6.086 1.00 0.00 N ATOM 425 CA ASN A 26 -8.397 4.064 7.418 1.00 0.00 C ATOM 426 C ASN A 26 -9.903 4.241 7.603 1.00 0.00 C ATOM 427 O ASN A 26 -10.384 4.460 8.715 1.00 0.00 O ATOM 428 CB ASN A 26 -7.677 5.395 7.665 1.00 0.00 C ATOM 429 CG ASN A 26 -8.187 6.519 6.787 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.642 6.297 5.669 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.120 7.738 7.294 1.00 0.00 N ATOM 0 H ASN A 26 -7.719 4.223 5.430 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.038 3.338 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.796 5.677 8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.609 5.261 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.453 8.535 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.735 7.882 8.228 1.00 0.00 H new ATOM 438 N LYS A 27 -10.641 4.156 6.506 1.00 0.00 N ATOM 439 CA LYS A 27 -12.090 4.275 6.545 1.00 0.00 C ATOM 440 C LYS A 27 -12.727 2.963 6.102 1.00 0.00 C ATOM 441 O LYS A 27 -12.198 2.283 5.223 1.00 0.00 O ATOM 442 CB LYS A 27 -12.566 5.403 5.621 1.00 0.00 C ATOM 443 CG LYS A 27 -11.898 6.749 5.878 1.00 0.00 C ATOM 444 CD LYS A 27 -12.225 7.289 7.258 1.00 0.00 C ATOM 445 CE LYS A 27 -11.513 8.606 7.521 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.807 9.120 8.883 1.00 0.00 N ATOM 0 H LYS A 27 -10.257 4.004 5.573 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.388 4.505 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.383 5.111 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.644 5.518 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.818 6.644 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.221 7.465 5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.302 7.431 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.935 6.559 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.438 8.469 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.821 9.342 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.306 10.019 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.831 9.274 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.490 8.427 9.591 1.00 0.00 H new ATOM 460 N PRO A 28 -13.849 2.577 6.721 1.00 0.00 N ATOM 461 CA PRO A 28 -14.615 1.408 6.293 1.00 0.00 C ATOM 462 C PRO A 28 -15.249 1.643 4.928 1.00 0.00 C ATOM 463 O PRO A 28 -16.038 2.573 4.747 1.00 0.00 O ATOM 464 CB PRO A 28 -15.691 1.248 7.378 1.00 0.00 C ATOM 465 CG PRO A 28 -15.242 2.112 8.509 1.00 0.00 C ATOM 466 CD PRO A 28 -14.454 3.227 7.889 1.00 0.00 C ATOM 0 HA PRO A 28 -13.995 0.518 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.669 1.558 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.783 0.208 7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.095 2.500 9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.631 1.547 9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.091 4.064 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.700 3.619 8.571 1.00 0.00 H new ATOM 474 N VAL A 29 -14.892 0.802 3.975 1.00 0.00 N ATOM 475 CA VAL A 29 -15.292 0.995 2.593 1.00 0.00 C ATOM 476 C VAL A 29 -16.483 0.112 2.250 1.00 0.00 C ATOM 477 O VAL A 29 -16.642 -0.977 2.810 1.00 0.00 O ATOM 478 CB VAL A 29 -14.127 0.663 1.633 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.420 1.142 0.217 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.825 1.256 2.149 1.00 0.00 C ATOM 0 H VAL A 29 -14.321 -0.028 4.135 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.570 2.042 2.474 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.021 -0.421 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.581 0.893 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.322 0.654 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.567 2.222 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.016 1.012 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.923 2.339 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.601 0.843 3.132 1.00 0.00 H new ATOM 490 N GLU A 30 -17.328 0.596 1.350 1.00 0.00 N ATOM 491 CA GLU A 30 -18.417 -0.201 0.816 1.00 0.00 C ATOM 492 C GLU A 30 -17.836 -1.379 0.043 1.00 0.00 C ATOM 493 O GLU A 30 -17.104 -1.189 -0.929 1.00 0.00 O ATOM 494 CB GLU A 30 -19.297 0.650 -0.101 1.00 0.00 C ATOM 495 CG GLU A 30 -19.816 1.919 0.559 1.00 0.00 C ATOM 496 CD GLU A 30 -20.527 2.834 -0.417 1.00 0.00 C ATOM 497 OE1 GLU A 30 -20.005 3.042 -1.530 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.604 3.364 -0.068 1.00 0.00 O ATOM 0 H GLU A 30 -17.277 1.543 0.974 1.00 0.00 H new ATOM 0 HA GLU A 30 -19.034 -0.570 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.727 0.920 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.144 0.052 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.500 1.652 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.983 2.455 1.013 1.00 0.00 H new ATOM 505 N ILE A 31 -18.156 -2.590 0.477 1.00 0.00 N ATOM 506 CA ILE A 31 -17.571 -3.795 -0.105 1.00 0.00 C ATOM 507 C ILE A 31 -17.907 -3.935 -1.588 1.00 0.00 C ATOM 508 O ILE A 31 -17.196 -4.601 -2.333 1.00 0.00 O ATOM 509 CB ILE A 31 -18.024 -5.065 0.643 1.00 0.00 C ATOM 510 CG1 ILE A 31 -19.552 -5.170 0.644 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.477 -5.057 2.065 1.00 0.00 C ATOM 512 CD1 ILE A 31 -20.071 -6.444 1.274 1.00 0.00 C ATOM 0 H ILE A 31 -18.819 -2.767 1.232 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.491 -3.688 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.627 -5.939 0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.966 -4.315 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.913 -5.109 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.802 -5.958 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.388 -5.028 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.849 -4.179 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -21.160 -6.449 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.686 -7.304 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.741 -6.498 2.311 1.00 0.00 H new ATOM 524 N SER A 32 -18.981 -3.284 -2.014 1.00 0.00 N ATOM 525 CA SER A 32 -19.406 -3.329 -3.407 1.00 0.00 C ATOM 526 C SER A 32 -18.431 -2.561 -4.303 1.00 0.00 C ATOM 527 O SER A 32 -18.417 -2.737 -5.520 1.00 0.00 O ATOM 528 CB SER A 32 -20.807 -2.732 -3.533 1.00 0.00 C ATOM 529 OG SER A 32 -21.671 -3.234 -2.524 1.00 0.00 O ATOM 0 H SER A 32 -19.577 -2.716 -1.412 1.00 0.00 H new ATOM 0 HA SER A 32 -19.419 -4.369 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.750 -1.646 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.217 -2.964 -4.516 1.00 0.00 H new ATOM 0 HG SER A 32 -22.560 -2.835 -2.626 1.00 0.00 H new ATOM 535 N LYS A 33 -17.602 -1.726 -3.690 1.00 0.00 N ATOM 536 CA LYS A 33 -16.687 -0.871 -4.434 1.00 0.00 C ATOM 537 C LYS A 33 -15.283 -1.473 -4.482 1.00 0.00 C ATOM 538 O LYS A 33 -14.331 -0.804 -4.891 1.00 0.00 O ATOM 539 CB LYS A 33 -16.620 0.515 -3.789 1.00 0.00 C ATOM 540 CG LYS A 33 -16.812 1.661 -4.768 1.00 0.00 C ATOM 541 CD LYS A 33 -16.515 3.003 -4.111 1.00 0.00 C ATOM 542 CE LYS A 33 -16.967 4.175 -4.972 1.00 0.00 C ATOM 543 NZ LYS A 33 -16.377 4.145 -6.338 1.00 0.00 N ATOM 0 H LYS A 33 -17.545 -1.623 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.065 -0.786 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.383 0.581 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.654 0.629 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.157 1.521 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.836 1.655 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.014 3.051 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.445 3.084 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.054 4.165 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.691 5.109 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.303 5.115 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.430 3.717 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.985 3.582 -6.966 1.00 0.00 H new ATOM 557 N TRP A 34 -15.153 -2.738 -4.081 1.00 0.00 N ATOM 558 CA TRP A 34 -13.843 -3.383 -4.013 1.00 0.00 C ATOM 559 C TRP A 34 -13.208 -3.470 -5.401 1.00 0.00 C ATOM 560 O TRP A 34 -11.992 -3.340 -5.545 1.00 0.00 O ATOM 561 CB TRP A 34 -13.940 -4.779 -3.369 1.00 0.00 C ATOM 562 CG TRP A 34 -14.478 -5.853 -4.273 1.00 0.00 C ATOM 563 CD1 TRP A 34 -15.786 -6.131 -4.542 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.705 -6.805 -5.017 1.00 0.00 C ATOM 565 NE1 TRP A 34 -15.874 -7.194 -5.409 1.00 0.00 N ATOM 566 CE2 TRP A 34 -14.609 -7.625 -5.716 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.335 -7.038 -5.160 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -14.186 -8.664 -6.543 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.916 -8.067 -5.982 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.837 -8.868 -6.665 1.00 0.00 C ATOM 0 H TRP A 34 -15.933 -3.332 -3.800 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.202 -2.768 -3.381 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -12.949 -5.075 -3.026 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.577 -4.713 -2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -16.629 -5.594 -4.133 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -16.740 -7.597 -5.766 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -11.616 -6.425 -4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -14.896 -9.286 -7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.859 -8.256 -6.099 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -12.477 -9.663 -7.301 1.00 0.00 H new ATOM 581 N ILE A 35 -14.043 -3.675 -6.420 1.00 0.00 N ATOM 582 CA ILE A 35 -13.572 -3.725 -7.800 1.00 0.00 C ATOM 583 C ILE A 35 -13.052 -2.360 -8.237 1.00 0.00 C ATOM 584 O ILE A 35 -12.025 -2.261 -8.905 1.00 0.00 O ATOM 585 CB ILE A 35 -14.683 -4.178 -8.774 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.973 -3.382 -8.535 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.933 -5.672 -8.634 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.087 -3.711 -9.508 1.00 0.00 C ATOM 0 H ILE A 35 -15.049 -3.809 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.766 -4.458 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.351 -3.980 -9.793 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.323 -3.572 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.749 -2.317 -8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.718 -5.976 -9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.017 -6.217 -8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.243 -5.895 -7.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.964 -3.108 -9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.758 -3.494 -10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.341 -4.768 -9.427 1.00 0.00 H new ATOM 600 N ASP A 36 -13.758 -1.316 -7.820 1.00 0.00 N ATOM 601 CA ASP A 36 -13.417 0.052 -8.190 1.00 0.00 C ATOM 602 C ASP A 36 -12.035 0.422 -7.672 1.00 0.00 C ATOM 603 O ASP A 36 -11.198 0.937 -8.412 1.00 0.00 O ATOM 604 CB ASP A 36 -14.467 1.014 -7.631 1.00 0.00 C ATOM 605 CG ASP A 36 -14.208 2.455 -8.007 1.00 0.00 C ATOM 606 OD1 ASP A 36 -14.307 2.783 -9.210 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.952 3.273 -7.102 1.00 0.00 O ATOM 0 H ASP A 36 -14.579 -1.393 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.403 0.127 -9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.451 0.720 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.490 0.926 -6.545 1.00 0.00 H new ATOM 612 N PHE A 37 -11.800 0.128 -6.400 1.00 0.00 N ATOM 613 CA PHE A 37 -10.518 0.412 -5.768 1.00 0.00 C ATOM 614 C PHE A 37 -9.403 -0.442 -6.371 1.00 0.00 C ATOM 615 O PHE A 37 -8.299 0.049 -6.608 1.00 0.00 O ATOM 616 CB PHE A 37 -10.604 0.182 -4.260 1.00 0.00 C ATOM 617 CG PHE A 37 -11.201 1.333 -3.496 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.304 2.022 -3.982 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.651 1.728 -2.286 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.843 3.080 -3.275 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.187 2.782 -1.575 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.285 3.458 -2.069 1.00 0.00 C ATOM 0 H PHE A 37 -12.484 -0.309 -5.783 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.279 1.459 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.199 -0.712 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.603 -0.015 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.746 1.728 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.792 1.204 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.699 3.611 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.748 3.078 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.707 4.282 -1.513 1.00 0.00 H new ATOM 632 N SER A 38 -9.703 -1.710 -6.634 1.00 0.00 N ATOM 633 CA SER A 38 -8.727 -2.618 -7.224 1.00 0.00 C ATOM 634 C SER A 38 -8.277 -2.119 -8.597 1.00 0.00 C ATOM 635 O SER A 38 -7.095 -2.203 -8.942 1.00 0.00 O ATOM 636 CB SER A 38 -9.312 -4.028 -7.335 1.00 0.00 C ATOM 637 OG SER A 38 -9.642 -4.541 -6.053 1.00 0.00 O ATOM 0 H SER A 38 -10.613 -2.131 -6.448 1.00 0.00 H new ATOM 0 HA SER A 38 -7.854 -2.650 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.202 -4.008 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.593 -4.687 -7.821 1.00 0.00 H new ATOM 0 HG SER A 38 -10.387 -4.027 -5.677 1.00 0.00 H new ATOM 643 N ASN A 39 -9.216 -1.578 -9.370 1.00 0.00 N ATOM 644 CA ASN A 39 -8.900 -1.019 -10.684 1.00 0.00 C ATOM 645 C ASN A 39 -7.935 0.150 -10.553 1.00 0.00 C ATOM 646 O ASN A 39 -6.974 0.259 -11.313 1.00 0.00 O ATOM 647 CB ASN A 39 -10.170 -0.563 -11.410 1.00 0.00 C ATOM 648 CG ASN A 39 -11.023 -1.721 -11.885 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.512 -2.794 -12.205 1.00 0.00 O ATOM 650 ND2 ASN A 39 -12.329 -1.512 -11.940 1.00 0.00 N ATOM 0 H ASN A 39 -10.200 -1.514 -9.111 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.427 -1.806 -11.272 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.759 0.066 -10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.893 0.053 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.952 -2.255 -12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.713 -0.608 -11.666 1.00 0.00 H new ATOM 657 N VAL A 40 -8.188 1.015 -9.577 1.00 0.00 N ATOM 658 CA VAL A 40 -7.332 2.169 -9.334 1.00 0.00 C ATOM 659 C VAL A 40 -5.942 1.720 -8.882 1.00 0.00 C ATOM 660 O VAL A 40 -4.928 2.206 -9.381 1.00 0.00 O ATOM 661 CB VAL A 40 -7.939 3.109 -8.268 1.00 0.00 C ATOM 662 CG1 VAL A 40 -7.078 4.346 -8.071 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.354 3.509 -8.649 1.00 0.00 C ATOM 0 H VAL A 40 -8.981 0.938 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.250 2.717 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.971 2.564 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.531 4.988 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.082 4.048 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.003 4.891 -9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.763 4.171 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.340 4.027 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.976 2.617 -8.727 1.00 0.00 H new ATOM 673 N LEU A 41 -5.907 0.763 -7.960 1.00 0.00 N ATOM 674 CA LEU A 41 -4.647 0.254 -7.422 1.00 0.00 C ATOM 675 C LEU A 41 -3.814 -0.438 -8.501 1.00 0.00 C ATOM 676 O LEU A 41 -2.588 -0.465 -8.423 1.00 0.00 O ATOM 677 CB LEU A 41 -4.910 -0.717 -6.268 1.00 0.00 C ATOM 678 CG LEU A 41 -5.568 -0.102 -5.030 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.816 -1.169 -3.975 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.704 1.018 -4.465 1.00 0.00 C ATOM 0 H LEU A 41 -6.739 0.322 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.081 1.109 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.545 -1.525 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.962 -1.166 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.528 0.322 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.284 -0.715 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.474 -1.937 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.868 -1.621 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.188 1.443 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.729 0.619 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.576 1.794 -5.219 1.00 0.00 H new ATOM 692 N SER A 42 -4.482 -0.976 -9.516 1.00 0.00 N ATOM 693 CA SER A 42 -3.796 -1.682 -10.595 1.00 0.00 C ATOM 694 C SER A 42 -3.071 -0.706 -11.525 1.00 0.00 C ATOM 695 O SER A 42 -2.364 -1.118 -12.444 1.00 0.00 O ATOM 696 CB SER A 42 -4.793 -2.528 -11.391 1.00 0.00 C ATOM 697 OG SER A 42 -5.425 -3.491 -10.559 1.00 0.00 O ATOM 0 H SER A 42 -5.496 -0.937 -9.615 1.00 0.00 H new ATOM 0 HA SER A 42 -3.049 -2.337 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.546 -1.881 -11.841 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.276 -3.032 -12.208 1.00 0.00 H new ATOM 0 HG SER A 42 -6.241 -3.107 -10.176 1.00 0.00 H new ATOM 703 N ARG A 43 -3.255 0.583 -11.284 1.00 0.00 N ATOM 704 CA ARG A 43 -2.588 1.611 -12.069 1.00 0.00 C ATOM 705 C ARG A 43 -1.599 2.367 -11.190 1.00 0.00 C ATOM 706 O ARG A 43 -0.972 3.335 -11.621 1.00 0.00 O ATOM 707 CB ARG A 43 -3.617 2.588 -12.639 1.00 0.00 C ATOM 708 CG ARG A 43 -4.784 1.911 -13.341 1.00 0.00 C ATOM 709 CD ARG A 43 -5.809 2.928 -13.810 1.00 0.00 C ATOM 710 NE ARG A 43 -7.026 2.293 -14.313 1.00 0.00 N ATOM 711 CZ ARG A 43 -8.137 2.956 -14.633 1.00 0.00 C ATOM 712 NH1 ARG A 43 -8.161 4.283 -14.603 1.00 0.00 N ATOM 713 NH2 ARG A 43 -9.213 2.281 -15.017 1.00 0.00 N ATOM 0 H ARG A 43 -3.863 0.943 -10.548 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.054 1.136 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.002 3.208 -11.830 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.120 3.255 -13.343 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.417 1.341 -14.194 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.257 1.201 -12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.063 3.593 -12.984 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.373 3.546 -14.595 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.025 1.279 -14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.325 4.802 -14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.015 4.783 -14.849 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.186 1.263 -15.065 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.067 2.781 -15.264 1.00 0.00 H new ATOM 727 N LEU A 44 -1.453 1.902 -9.958 1.00 0.00 N ATOM 728 CA LEU A 44 -0.678 2.616 -8.956 1.00 0.00 C ATOM 729 C LEU A 44 0.631 1.884 -8.650 1.00 0.00 C ATOM 730 O LEU A 44 1.047 1.778 -7.496 1.00 0.00 O ATOM 731 CB LEU A 44 -1.524 2.773 -7.686 1.00 0.00 C ATOM 732 CG LEU A 44 -0.994 3.770 -6.652 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.878 5.161 -7.256 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.904 3.791 -5.431 1.00 0.00 C ATOM 0 H LEU A 44 -1.864 1.029 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.417 3.602 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.529 3.080 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.614 1.797 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 44 0.001 3.452 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.500 5.854 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.192 5.134 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.859 5.494 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.518 4.503 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.909 4.088 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.937 2.797 -4.985 1.00 0.00 H new ATOM 746 N TYR A 45 1.284 1.390 -9.698 1.00 0.00 N ATOM 747 CA TYR A 45 2.586 0.748 -9.553 1.00 0.00 C ATOM 748 C TYR A 45 3.652 1.781 -9.205 1.00 0.00 C ATOM 749 O TYR A 45 4.218 2.431 -10.085 1.00 0.00 O ATOM 750 CB TYR A 45 2.976 0.003 -10.833 1.00 0.00 C ATOM 751 CG TYR A 45 2.300 -1.340 -10.996 1.00 0.00 C ATOM 752 CD1 TYR A 45 0.949 -1.434 -11.314 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.019 -2.517 -10.830 1.00 0.00 C ATOM 754 CE1 TYR A 45 0.337 -2.664 -11.462 1.00 0.00 C ATOM 755 CE2 TYR A 45 2.412 -3.749 -10.977 1.00 0.00 C ATOM 756 CZ TYR A 45 1.072 -3.817 -11.293 1.00 0.00 C ATOM 757 OH TYR A 45 0.463 -5.046 -11.433 1.00 0.00 O ATOM 0 H TYR A 45 0.933 1.422 -10.655 1.00 0.00 H new ATOM 0 HA TYR A 45 2.516 0.024 -8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.732 0.627 -11.693 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.056 -0.143 -10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.370 -0.532 -11.447 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.069 -2.468 -10.582 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.713 -2.721 -11.709 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.985 -4.655 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 45 0.992 -5.606 -12.038 1.00 0.00 H new ATOM 767 N VAL A 46 3.913 1.937 -7.920 1.00 0.00 N ATOM 768 CA VAL A 46 4.864 2.926 -7.446 1.00 0.00 C ATOM 769 C VAL A 46 6.130 2.240 -6.934 1.00 0.00 C ATOM 770 O VAL A 46 6.098 1.069 -6.545 1.00 0.00 O ATOM 771 CB VAL A 46 4.239 3.805 -6.333 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.970 2.994 -5.073 1.00 0.00 C ATOM 773 CG2 VAL A 46 5.117 5.012 -6.025 1.00 0.00 C ATOM 0 H VAL A 46 3.476 1.387 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 46 5.129 3.574 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 46 3.282 4.172 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.532 3.639 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.279 2.183 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.906 2.578 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.652 5.609 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.097 4.673 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.230 5.618 -6.924 1.00 0.00 H new ATOM 783 N GLY A 47 7.245 2.952 -6.967 1.00 0.00 N ATOM 784 CA GLY A 47 8.490 2.399 -6.489 1.00 0.00 C ATOM 785 C GLY A 47 9.130 3.262 -5.423 1.00 0.00 C ATOM 786 O GLY A 47 9.789 4.253 -5.734 1.00 0.00 O ATOM 0 H GLY A 47 7.308 3.907 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.311 1.402 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.180 2.287 -7.325 1.00 0.00 H new ATOM 790 N VAL A 48 8.929 2.892 -4.165 1.00 0.00 N ATOM 791 CA VAL A 48 9.507 3.629 -3.050 1.00 0.00 C ATOM 792 C VAL A 48 9.362 2.841 -1.745 1.00 0.00 C ATOM 793 O VAL A 48 8.268 2.393 -1.397 1.00 0.00 O ATOM 794 CB VAL A 48 8.864 5.035 -2.900 1.00 0.00 C ATOM 795 CG1 VAL A 48 7.354 4.939 -2.711 1.00 0.00 C ATOM 796 CG2 VAL A 48 9.505 5.805 -1.753 1.00 0.00 C ATOM 0 H VAL A 48 8.369 2.085 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 48 10.567 3.764 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 48 9.048 5.583 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.936 5.940 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.910 4.446 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.136 4.362 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.038 6.786 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.365 5.255 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.571 5.926 -1.947 1.00 0.00 H new ATOM 806 N PRO A 49 10.479 2.619 -1.032 1.00 0.00 N ATOM 807 CA PRO A 49 10.463 1.988 0.287 1.00 0.00 C ATOM 808 C PRO A 49 9.902 2.932 1.349 1.00 0.00 C ATOM 809 O PRO A 49 10.431 4.024 1.564 1.00 0.00 O ATOM 810 CB PRO A 49 11.940 1.670 0.568 1.00 0.00 C ATOM 811 CG PRO A 49 12.663 1.929 -0.715 1.00 0.00 C ATOM 812 CD PRO A 49 11.843 2.944 -1.457 1.00 0.00 C ATOM 0 HA PRO A 49 9.828 1.103 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.329 2.297 1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.064 0.634 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.669 2.303 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.767 1.012 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.120 3.964 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.964 2.854 -2.536 1.00 0.00 H new ATOM 820 N THR A 50 8.830 2.516 2.006 1.00 0.00 N ATOM 821 CA THR A 50 8.128 3.383 2.937 1.00 0.00 C ATOM 822 C THR A 50 8.049 2.794 4.349 1.00 0.00 C ATOM 823 O THR A 50 8.567 1.708 4.615 1.00 0.00 O ATOM 824 CB THR A 50 6.711 3.662 2.421 1.00 0.00 C ATOM 825 OG1 THR A 50 6.163 2.465 1.852 1.00 0.00 O ATOM 826 CG2 THR A 50 6.715 4.770 1.380 1.00 0.00 C ATOM 0 H THR A 50 8.428 1.583 1.911 1.00 0.00 H new ATOM 0 HA THR A 50 8.699 4.309 3.001 1.00 0.00 H new ATOM 0 HB THR A 50 6.097 3.986 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.295 2.275 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.697 4.946 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.110 5.684 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.340 4.475 0.537 1.00 0.00 H new ATOM 834 N LYS A 51 7.402 3.537 5.245 1.00 0.00 N ATOM 835 CA LYS A 51 7.236 3.131 6.640 1.00 0.00 C ATOM 836 C LYS A 51 5.793 2.702 6.897 1.00 0.00 C ATOM 837 O LYS A 51 4.934 2.863 6.037 1.00 0.00 O ATOM 838 CB LYS A 51 7.599 4.298 7.567 1.00 0.00 C ATOM 839 CG LYS A 51 6.824 5.569 7.249 1.00 0.00 C ATOM 840 CD LYS A 51 7.114 6.690 8.235 1.00 0.00 C ATOM 841 CE LYS A 51 6.569 6.380 9.622 1.00 0.00 C ATOM 842 NZ LYS A 51 6.658 7.556 10.527 1.00 0.00 N ATOM 0 H LYS A 51 6.978 4.438 5.025 1.00 0.00 H new ATOM 0 HA LYS A 51 7.897 2.288 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.405 4.009 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.667 4.500 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.075 5.901 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.756 5.351 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.190 6.851 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.673 7.618 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.530 6.062 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.125 5.547 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.277 7.305 11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.652 7.844 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.107 8.343 10.129 1.00 0.00 H new ATOM 856 N SER A 52 5.522 2.174 8.083 1.00 0.00 N ATOM 857 CA SER A 52 4.169 1.771 8.442 1.00 0.00 C ATOM 858 C SER A 52 3.270 2.991 8.626 1.00 0.00 C ATOM 859 O SER A 52 3.592 3.911 9.378 1.00 0.00 O ATOM 860 CB SER A 52 4.189 0.918 9.710 1.00 0.00 C ATOM 861 OG SER A 52 5.184 1.370 10.614 1.00 0.00 O ATOM 0 H SER A 52 6.219 2.015 8.811 1.00 0.00 H new ATOM 0 HA SER A 52 3.761 1.172 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.212 0.954 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.377 -0.123 9.449 1.00 0.00 H new ATOM 0 HG SER A 52 5.175 0.809 11.417 1.00 0.00 H new ATOM 867 N GLY A 53 2.152 2.999 7.918 1.00 0.00 N ATOM 868 CA GLY A 53 1.229 4.106 8.009 1.00 0.00 C ATOM 869 C GLY A 53 1.539 5.179 6.991 1.00 0.00 C ATOM 870 O GLY A 53 1.292 6.363 7.228 1.00 0.00 O ATOM 0 H GLY A 53 1.868 2.255 7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.212 3.745 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.270 4.533 9.011 1.00 0.00 H new ATOM 874 N ASN A 54 2.092 4.770 5.858 1.00 0.00 N ATOM 875 CA ASN A 54 2.413 5.715 4.791 1.00 0.00 C ATOM 876 C ASN A 54 1.215 5.873 3.868 1.00 0.00 C ATOM 877 O ASN A 54 0.651 4.886 3.401 1.00 0.00 O ATOM 878 CB ASN A 54 3.651 5.274 3.991 1.00 0.00 C ATOM 879 CG ASN A 54 3.426 4.024 3.156 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.734 2.873 3.721 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 3.001 4.095 2.003 1.00 0.00 N flip ATOM 0 H ASN A 54 2.327 3.799 5.652 1.00 0.00 H new ATOM 0 HA ASN A 54 2.648 6.675 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.957 6.088 3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.474 5.095 4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.773 5.003 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.877 3.246 1.452 1.00 0.00 H new ATOM 888 N VAL A 55 0.809 7.107 3.627 1.00 0.00 N ATOM 889 CA VAL A 55 -0.342 7.366 2.779 1.00 0.00 C ATOM 890 C VAL A 55 0.086 7.474 1.324 1.00 0.00 C ATOM 891 O VAL A 55 0.786 8.415 0.946 1.00 0.00 O ATOM 892 CB VAL A 55 -1.074 8.665 3.169 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.371 8.808 2.386 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.341 8.718 4.662 1.00 0.00 C ATOM 0 H VAL A 55 1.257 7.942 4.004 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.025 6.527 2.916 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.425 9.503 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.872 9.732 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.151 8.835 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.021 7.960 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.858 9.646 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.961 7.870 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.395 8.677 5.202 1.00 0.00 H new ATOM 904 N VAL A 56 -0.333 6.520 0.513 1.00 0.00 N ATOM 905 CA VAL A 56 -0.015 6.544 -0.904 1.00 0.00 C ATOM 906 C VAL A 56 -0.898 7.563 -1.615 1.00 0.00 C ATOM 907 O VAL A 56 -0.413 8.548 -2.174 1.00 0.00 O ATOM 908 CB VAL A 56 -0.214 5.162 -1.560 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.353 5.152 -2.973 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.421 4.068 -0.719 1.00 0.00 C ATOM 0 H VAL A 56 -0.893 5.721 0.810 1.00 0.00 H new ATOM 0 HA VAL A 56 1.035 6.820 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.284 4.965 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.203 4.169 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.156 5.905 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.419 5.376 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.268 3.103 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.490 4.259 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.038 4.056 0.270 1.00 0.00 H new ATOM 920 N CYS A 57 -2.199 7.324 -1.577 1.00 0.00 N ATOM 921 CA CYS A 57 -3.153 8.221 -2.197 1.00 0.00 C ATOM 922 C CYS A 57 -4.271 8.555 -1.223 1.00 0.00 C ATOM 923 O CYS A 57 -5.094 7.698 -0.888 1.00 0.00 O ATOM 924 CB CYS A 57 -3.725 7.599 -3.471 1.00 0.00 C ATOM 925 SG CYS A 57 -4.828 8.692 -4.401 1.00 0.00 S ATOM 0 H CYS A 57 -2.617 6.513 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.637 9.143 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.900 7.299 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.269 6.692 -3.206 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.257 8.075 -5.462 1.00 0.00 H new ATOM 931 N LYS A 58 -4.278 9.788 -0.741 1.00 0.00 N ATOM 932 CA LYS A 58 -5.348 10.257 0.122 1.00 0.00 C ATOM 933 C LYS A 58 -6.507 10.750 -0.735 1.00 0.00 C ATOM 934 O LYS A 58 -6.288 11.398 -1.764 1.00 0.00 O ATOM 935 CB LYS A 58 -4.848 11.369 1.045 1.00 0.00 C ATOM 936 CG LYS A 58 -5.846 11.753 2.127 1.00 0.00 C ATOM 937 CD LYS A 58 -5.250 12.745 3.107 1.00 0.00 C ATOM 938 CE LYS A 58 -6.165 12.964 4.298 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.513 13.802 5.335 1.00 0.00 N ATOM 0 H LYS A 58 -3.555 10.481 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.691 9.433 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.918 11.049 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.616 12.250 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.735 12.184 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.166 10.859 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.282 12.381 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.073 13.695 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.087 13.443 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.442 12.001 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.164 13.933 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.647 13.332 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.271 14.729 4.930 1.00 0.00 H new ATOM 953 N ASN A 59 -7.729 10.424 -0.319 1.00 0.00 N ATOM 954 CA ASN A 59 -8.929 10.762 -1.084 1.00 0.00 C ATOM 955 C ASN A 59 -8.849 10.119 -2.459 1.00 0.00 C ATOM 956 O ASN A 59 -9.202 10.728 -3.469 1.00 0.00 O ATOM 957 CB ASN A 59 -9.106 12.281 -1.206 1.00 0.00 C ATOM 958 CG ASN A 59 -9.449 12.944 0.114 1.00 0.00 C ATOM 959 OD1 ASN A 59 -9.055 12.475 1.181 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.191 14.035 0.051 1.00 0.00 N ATOM 0 H ASN A 59 -7.915 9.923 0.550 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.800 10.376 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.188 12.718 -1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.894 12.493 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.457 14.521 0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.497 14.392 -0.854 1.00 0.00 H new ATOM 967 N ILE A 60 -8.415 8.861 -2.460 1.00 0.00 N ATOM 968 CA ILE A 60 -8.127 8.109 -3.680 1.00 0.00 C ATOM 969 C ILE A 60 -9.279 8.169 -4.686 1.00 0.00 C ATOM 970 O ILE A 60 -9.061 8.296 -5.889 1.00 0.00 O ATOM 971 CB ILE A 60 -7.793 6.634 -3.336 1.00 0.00 C ATOM 972 CG1 ILE A 60 -7.676 5.780 -4.605 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.831 6.052 -2.380 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.301 4.336 -4.337 1.00 0.00 C ATOM 0 H ILE A 60 -8.251 8.329 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.262 8.577 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.824 6.619 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.626 5.806 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.929 6.224 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.576 5.017 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.843 6.633 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.816 6.090 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.237 3.795 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.336 4.298 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.060 3.874 -3.705 1.00 0.00 H new ATOM 986 N MET A 61 -10.501 8.106 -4.185 1.00 0.00 N ATOM 987 CA MET A 61 -11.674 8.145 -5.039 1.00 0.00 C ATOM 988 C MET A 61 -12.658 9.175 -4.497 1.00 0.00 C ATOM 989 O MET A 61 -13.868 8.951 -4.489 1.00 0.00 O ATOM 990 CB MET A 61 -12.303 6.748 -5.096 1.00 0.00 C ATOM 991 CG MET A 61 -12.788 6.342 -6.481 1.00 0.00 C ATOM 992 SD MET A 61 -14.375 7.073 -6.928 1.00 0.00 S ATOM 993 CE MET A 61 -14.599 6.393 -8.569 1.00 0.00 C ATOM 0 H MET A 61 -10.706 8.027 -3.189 1.00 0.00 H new ATOM 0 HA MET A 61 -11.397 8.438 -6.052 1.00 0.00 H new ATOM 0 HB2 MET A 61 -11.572 6.017 -4.750 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.143 6.711 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.041 6.634 -7.219 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.872 5.256 -6.525 1.00 0.00 H new ATOM 0 HE1 MET A 61 -15.540 6.751 -8.986 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.775 6.709 -9.209 1.00 0.00 H new ATOM 0 HE3 MET A 61 -14.618 5.305 -8.512 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.110 10.304 -4.024 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.907 11.384 -3.420 1.00 0.00 C ATOM 1005 C ASN A 62 -13.603 10.868 -2.157 1.00 0.00 C ATOM 1006 O ASN A 62 -14.549 11.459 -1.646 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.928 11.932 -4.436 1.00 0.00 C ATOM 1008 CG ASN A 62 -14.572 13.239 -3.995 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -14.031 14.318 -4.227 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -15.745 13.159 -3.386 1.00 0.00 N ATOM 0 H ASN A 62 -11.108 10.494 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.247 12.204 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.431 12.085 -5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.707 11.187 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.227 14.009 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.166 12.247 -3.209 1.00 0.00 H new ATOM 1017 N THR A 63 -13.085 9.767 -1.644 1.00 0.00 N ATOM 1018 CA THR A 63 -13.687 9.077 -0.518 1.00 0.00 C ATOM 1019 C THR A 63 -13.293 9.702 0.818 1.00 0.00 C ATOM 1020 O THR A 63 -14.024 9.596 1.803 1.00 0.00 O ATOM 1021 CB THR A 63 -13.264 7.598 -0.538 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.840 7.501 -0.718 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.961 6.848 -1.659 1.00 0.00 C ATOM 0 H THR A 63 -12.235 9.326 -1.996 1.00 0.00 H new ATOM 0 HA THR A 63 -14.769 9.164 -0.616 1.00 0.00 H new ATOM 0 HB THR A 63 -13.550 7.150 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.575 6.558 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.644 5.805 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.040 6.901 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.699 7.299 -2.616 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.142 10.363 0.839 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.611 10.890 2.083 1.00 0.00 C ATOM 1033 C GLY A 64 -10.835 9.833 2.841 1.00 0.00 C ATOM 1034 O GLY A 64 -10.546 9.983 4.029 1.00 0.00 O ATOM 0 H GLY A 64 -11.566 10.544 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.962 11.740 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.428 11.259 2.703 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.502 8.757 2.138 1.00 0.00 N ATOM 1039 CA VAL A 65 -9.777 7.643 2.725 1.00 0.00 C ATOM 1040 C VAL A 65 -8.274 7.815 2.538 1.00 0.00 C ATOM 1041 O VAL A 65 -7.813 8.240 1.477 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.205 6.293 2.096 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.491 5.124 2.758 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.709 6.108 2.183 1.00 0.00 C ATOM 0 H VAL A 65 -10.727 8.635 1.151 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.017 7.633 3.788 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.918 6.315 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.813 4.191 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.414 5.238 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.734 5.104 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.985 5.153 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.017 6.121 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.207 6.917 1.648 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.529 7.486 3.577 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.080 7.442 3.508 1.00 0.00 C ATOM 1056 C ASP A 66 -5.647 6.015 3.228 1.00 0.00 C ATOM 1057 O ASP A 66 -5.657 5.172 4.126 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.438 7.891 4.828 1.00 0.00 C ATOM 1059 CG ASP A 66 -5.637 9.355 5.158 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.761 9.735 5.547 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -4.653 10.123 5.076 1.00 0.00 O ATOM 0 H ASP A 66 -7.910 7.242 4.491 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.757 8.118 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.848 7.290 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.369 7.683 4.786 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.309 5.729 1.982 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.800 4.417 1.632 1.00 0.00 C ATOM 1068 C ILE A 67 -3.357 4.304 2.101 1.00 0.00 C ATOM 1069 O ILE A 67 -2.444 4.858 1.481 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.877 4.148 0.111 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.321 4.267 -0.387 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.312 2.771 -0.219 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.276 3.279 0.254 1.00 0.00 C ATOM 0 H ILE A 67 -5.378 6.383 1.202 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.423 3.671 2.125 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.275 4.900 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.678 5.279 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.335 4.122 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.375 2.600 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.270 2.720 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.887 2.007 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.277 3.426 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.945 2.263 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.293 3.437 1.332 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.160 3.613 3.212 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.858 3.558 3.851 1.00 0.00 C ATOM 1087 C ILE A 68 -1.287 2.149 3.836 1.00 0.00 C ATOM 1088 O ILE A 68 -1.997 1.178 4.086 1.00 0.00 O ATOM 1089 CB ILE A 68 -1.924 4.064 5.311 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -2.933 3.252 6.128 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.285 5.541 5.340 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.013 3.669 7.581 1.00 0.00 C ATOM 0 H ILE A 68 -3.888 3.082 3.690 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.202 4.212 3.276 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.940 3.933 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.919 3.353 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.665 2.197 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.328 5.885 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.529 6.111 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.257 5.687 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.747 3.051 8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.037 3.542 8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.312 4.715 7.643 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.009 2.038 3.526 1.00 0.00 N ATOM 1105 CA CYS A 69 0.679 0.760 3.621 1.00 0.00 C ATOM 1106 C CYS A 69 1.219 0.600 5.035 1.00 0.00 C ATOM 1107 O CYS A 69 1.774 1.543 5.603 1.00 0.00 O ATOM 1108 CB CYS A 69 1.825 0.676 2.613 1.00 0.00 C ATOM 1109 SG CYS A 69 1.515 1.549 1.066 1.00 0.00 S ATOM 0 H CYS A 69 0.573 2.812 3.207 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.025 -0.041 3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.727 1.081 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.023 -0.373 2.392 1.00 0.00 H new ATOM 0 HG CYS A 69 2.544 1.420 0.281 1.00 0.00 H new ATOM 1115 N THR A 70 1.055 -0.574 5.615 1.00 0.00 N ATOM 1116 CA THR A 70 1.424 -0.765 7.007 1.00 0.00 C ATOM 1117 C THR A 70 2.675 -1.625 7.157 1.00 0.00 C ATOM 1118 O THR A 70 3.128 -1.883 8.273 1.00 0.00 O ATOM 1119 CB THR A 70 0.256 -1.380 7.814 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.605 -1.497 9.200 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.129 -2.747 7.259 1.00 0.00 C ATOM 0 H THR A 70 0.674 -1.400 5.153 1.00 0.00 H new ATOM 0 HA THR A 70 1.649 0.223 7.410 1.00 0.00 H new ATOM 0 HB THR A 70 -0.601 -0.713 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.558 -1.711 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.952 -3.158 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.439 -2.643 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.728 -3.418 7.317 1.00 0.00 H new ATOM 1129 N LYS A 71 3.236 -2.059 6.043 1.00 0.00 N ATOM 1130 CA LYS A 71 4.485 -2.799 6.082 1.00 0.00 C ATOM 1131 C LYS A 71 5.630 -1.885 5.680 1.00 0.00 C ATOM 1132 O LYS A 71 5.482 -1.059 4.781 1.00 0.00 O ATOM 1133 CB LYS A 71 4.432 -4.028 5.171 1.00 0.00 C ATOM 1134 CG LYS A 71 5.685 -4.887 5.248 1.00 0.00 C ATOM 1135 CD LYS A 71 5.552 -6.160 4.431 1.00 0.00 C ATOM 1136 CE LYS A 71 6.847 -6.958 4.428 1.00 0.00 C ATOM 1137 NZ LYS A 71 7.299 -7.313 5.801 1.00 0.00 N ATOM 0 H LYS A 71 2.852 -1.914 5.109 1.00 0.00 H new ATOM 0 HA LYS A 71 4.647 -3.153 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.567 -4.634 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.285 -3.703 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.540 -4.314 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.886 -5.143 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.747 -6.772 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.276 -5.909 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.707 -7.870 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.626 -6.380 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.083 -7.993 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.620 -6.455 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.509 -7.739 6.327 1.00 0.00 H new ATOM 1151 N ASN A 72 6.755 -2.017 6.362 1.00 0.00 N ATOM 1152 CA ASN A 72 7.913 -1.178 6.092 1.00 0.00 C ATOM 1153 C ASN A 72 8.783 -1.825 5.027 1.00 0.00 C ATOM 1154 O ASN A 72 9.079 -3.016 5.102 1.00 0.00 O ATOM 1155 CB ASN A 72 8.745 -0.936 7.363 1.00 0.00 C ATOM 1156 CG ASN A 72 7.995 -0.180 8.451 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.741 -0.539 8.680 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.554 0.697 9.111 1.00 0.00 N flip ATOM 0 H ASN A 72 6.892 -2.698 7.109 1.00 0.00 H new ATOM 0 HA ASN A 72 7.550 -0.213 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.073 -1.897 7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.643 -0.378 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.521 0.949 8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.050 1.171 9.860 1.00 0.00 H new ATOM 1165 N LEU A 73 9.181 -1.045 4.035 1.00 0.00 N ATOM 1166 CA LEU A 73 10.020 -1.561 2.965 1.00 0.00 C ATOM 1167 C LEU A 73 11.486 -1.271 3.258 1.00 0.00 C ATOM 1168 O LEU A 73 11.872 -0.118 3.456 1.00 0.00 O ATOM 1169 CB LEU A 73 9.625 -0.966 1.606 1.00 0.00 C ATOM 1170 CG LEU A 73 8.300 -1.460 1.010 1.00 0.00 C ATOM 1171 CD1 LEU A 73 8.245 -2.980 1.004 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.108 -0.881 1.758 1.00 0.00 C ATOM 0 H LEU A 73 8.939 -0.058 3.948 1.00 0.00 H new ATOM 0 HA LEU A 73 9.871 -2.640 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.571 0.118 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.422 -1.180 0.894 1.00 0.00 H new ATOM 0 HG LEU A 73 8.248 -1.110 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.297 -3.308 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.067 -3.371 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.331 -3.351 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.184 -1.250 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.152 -1.185 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.132 0.207 1.695 1.00 0.00 H new ATOM 1184 N PRO A 74 12.317 -2.323 3.301 1.00 0.00 N ATOM 1185 CA PRO A 74 13.749 -2.198 3.586 1.00 0.00 C ATOM 1186 C PRO A 74 14.475 -1.335 2.559 1.00 0.00 C ATOM 1187 O PRO A 74 14.402 -1.582 1.353 1.00 0.00 O ATOM 1188 CB PRO A 74 14.264 -3.642 3.525 1.00 0.00 C ATOM 1189 CG PRO A 74 13.052 -4.494 3.689 1.00 0.00 C ATOM 1190 CD PRO A 74 11.922 -3.722 3.077 1.00 0.00 C ATOM 0 HA PRO A 74 13.924 -1.711 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.762 -3.843 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.991 -3.835 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.181 -5.456 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.859 -4.701 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.809 -3.945 2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.970 -3.954 3.554 1.00 0.00 H new