USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 821 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 Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.0103 (180deg=-0.249) USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= -0.188 (180deg=-1.39!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -1.77 (180deg=-2.62!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.85) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.142 (180deg=-0.88) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc=-0.00226 (180deg=-0.604) USER MOD Single : A 49 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 53 SER OG : rot 180:sc= -4.44! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A 59 GLN : amide:sc= -2.07! K(o=-2.1!,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.72) USER MOD Single : A 81 ASN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 88 SER OG : rot -56:sc= 0.0455 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -153:sc= -25.3! (180deg=-26.2!) USER MOD Single : A 93 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.24) USER MOD Single : A 95 TYR OH : rot -68:sc= -0.497! USER MOD Single : A 96 GLN : amide:sc= -0.487 K(o=-0.49,f=-4!) USER MOD Single : A 98 HIS : no HD1:sc= -4.17! K(o=-4.2!,f=-3.1) USER MOD Single : A 99 HIS : no HE2:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -47:sc= -4.73! USER MOD Single : A 110 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 113 SER OG : rot -52:sc= 0.457 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -3.168 11.648 12.155 1.00 0.00 N ATOM 2 CA GLY A 18 -3.147 12.004 10.708 1.00 0.00 C ATOM 3 C GLY A 18 -2.959 13.515 10.553 1.00 0.00 C ATOM 4 O GLY A 18 -2.148 13.972 9.772 1.00 0.00 O ATOM 0 HA2 GLY A 18 -2.339 11.473 10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.077 11.693 10.233 1.00 0.00 H new ATOM 8 N GLU A 19 -3.703 14.295 11.287 1.00 0.00 N ATOM 9 CA GLU A 19 -3.564 15.776 11.176 1.00 0.00 C ATOM 10 C GLU A 19 -2.090 16.178 11.279 1.00 0.00 C ATOM 11 O GLU A 19 -1.628 17.060 10.584 1.00 0.00 O ATOM 12 CB GLU A 19 -4.357 16.343 12.357 1.00 0.00 C ATOM 13 CG GLU A 19 -5.422 17.311 11.837 1.00 0.00 C ATOM 14 CD GLU A 19 -6.139 17.965 13.019 1.00 0.00 C ATOM 15 OE1 GLU A 19 -6.752 17.242 13.787 1.00 0.00 O ATOM 16 OE2 GLU A 19 -6.063 19.177 13.137 1.00 0.00 O ATOM 0 H GLU A 19 -4.400 13.973 11.958 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.932 16.153 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.827 15.534 12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.687 16.858 13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.960 18.074 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.139 16.778 11.213 1.00 0.00 H new ATOM 23 N LYS A 20 -1.349 15.537 12.141 1.00 0.00 N ATOM 24 CA LYS A 20 0.098 15.888 12.286 1.00 0.00 C ATOM 25 C LYS A 20 0.906 15.314 11.117 1.00 0.00 C ATOM 26 O LYS A 20 1.924 15.854 10.733 1.00 0.00 O ATOM 27 CB LYS A 20 0.552 15.257 13.607 1.00 0.00 C ATOM 28 CG LYS A 20 0.943 16.362 14.590 1.00 0.00 C ATOM 29 CD LYS A 20 0.862 15.824 16.020 1.00 0.00 C ATOM 30 CE LYS A 20 2.057 14.907 16.290 1.00 0.00 C ATOM 31 NZ LYS A 20 1.716 14.193 17.551 1.00 0.00 N ATOM 0 H LYS A 20 -1.678 14.788 12.750 1.00 0.00 H new ATOM 0 HA LYS A 20 0.250 16.967 12.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.249 14.649 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.399 14.593 13.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.954 16.711 14.378 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.279 17.218 14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.857 16.650 16.731 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.070 15.276 16.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.211 14.207 15.469 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.978 15.480 16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.489 13.544 17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.582 14.885 18.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.839 13.651 17.417 1.00 0.00 H new ATOM 45 N ILE A 21 0.462 14.226 10.549 1.00 0.00 N ATOM 46 CA ILE A 21 1.211 13.625 9.407 1.00 0.00 C ATOM 47 C ILE A 21 1.273 14.622 8.244 1.00 0.00 C ATOM 48 O ILE A 21 2.077 14.489 7.344 1.00 0.00 O ATOM 49 CB ILE A 21 0.407 12.374 9.027 1.00 0.00 C ATOM 50 CG1 ILE A 21 0.865 11.190 9.885 1.00 0.00 C ATOM 51 CG2 ILE A 21 0.626 12.032 7.549 1.00 0.00 C ATOM 52 CD1 ILE A 21 0.953 11.611 11.355 1.00 0.00 C ATOM 0 H ILE A 21 -0.384 13.728 10.825 1.00 0.00 H new ATOM 0 HA ILE A 21 2.242 13.376 9.659 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.651 12.572 9.199 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.166 10.360 9.777 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.837 10.835 9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.050 11.143 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.299 12.867 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.685 11.842 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.279 10.763 11.957 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.669 12.426 11.458 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.027 11.944 11.697 1.00 0.00 H new ATOM 64 N ARG A 22 0.431 15.616 8.258 1.00 0.00 N ATOM 65 CA ARG A 22 0.446 16.617 7.153 1.00 0.00 C ATOM 66 C ARG A 22 1.429 17.742 7.477 1.00 0.00 C ATOM 67 O ARG A 22 2.289 18.073 6.684 1.00 0.00 O ATOM 68 CB ARG A 22 -0.986 17.145 7.079 1.00 0.00 C ATOM 69 CG ARG A 22 -1.794 16.293 6.094 1.00 0.00 C ATOM 70 CD ARG A 22 -1.493 14.808 6.326 1.00 0.00 C ATOM 71 NE ARG A 22 -2.165 14.099 5.202 1.00 0.00 N ATOM 72 CZ ARG A 22 -1.701 14.214 3.988 1.00 0.00 C ATOM 73 NH1 ARG A 22 -0.473 13.862 3.724 1.00 0.00 N ATOM 74 NH2 ARG A 22 -2.465 14.682 3.040 1.00 0.00 N ATOM 0 H ARG A 22 -0.266 15.780 8.984 1.00 0.00 H new ATOM 0 HA ARG A 22 0.765 16.187 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.448 17.115 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.985 18.187 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.860 16.482 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.544 16.569 5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.420 14.618 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.877 14.473 7.290 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.988 13.524 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.124 13.497 4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.110 13.952 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.425 14.958 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.103 14.772 2.091 1.00 0.00 H new ATOM 86 N LYS A 23 1.321 18.328 8.637 1.00 0.00 N ATOM 87 CA LYS A 23 2.266 19.421 9.000 1.00 0.00 C ATOM 88 C LYS A 23 3.701 18.964 8.730 1.00 0.00 C ATOM 89 O LYS A 23 4.512 19.700 8.205 1.00 0.00 O ATOM 90 CB LYS A 23 2.049 19.659 10.494 1.00 0.00 C ATOM 91 CG LYS A 23 1.359 21.009 10.703 1.00 0.00 C ATOM 92 CD LYS A 23 -0.083 20.779 11.158 1.00 0.00 C ATOM 93 CE LYS A 23 -0.752 22.127 11.440 1.00 0.00 C ATOM 94 NZ LYS A 23 -0.245 22.532 12.779 1.00 0.00 N ATOM 0 H LYS A 23 0.624 18.099 9.346 1.00 0.00 H new ATOM 0 HA LYS A 23 2.098 20.330 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.441 18.859 10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.005 19.642 11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.898 21.594 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.372 21.584 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.637 20.240 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.098 20.159 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.493 22.864 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.838 22.037 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.957 23.121 13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.058 21.684 13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.635 23.075 12.667 1.00 0.00 H new ATOM 108 N LYS A 24 4.013 17.746 9.081 1.00 0.00 N ATOM 109 CA LYS A 24 5.390 17.226 8.843 1.00 0.00 C ATOM 110 C LYS A 24 5.498 16.670 7.424 1.00 0.00 C ATOM 111 O LYS A 24 6.434 16.956 6.704 1.00 0.00 O ATOM 112 CB LYS A 24 5.589 16.106 9.870 1.00 0.00 C ATOM 113 CG LYS A 24 4.973 16.515 11.210 1.00 0.00 C ATOM 114 CD LYS A 24 5.642 15.732 12.341 1.00 0.00 C ATOM 115 CE LYS A 24 5.081 16.199 13.687 1.00 0.00 C ATOM 116 NZ LYS A 24 5.464 17.636 13.784 1.00 0.00 N ATOM 0 H LYS A 24 3.372 17.087 9.523 1.00 0.00 H new ATOM 0 HA LYS A 24 6.145 18.005 8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.126 15.186 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.652 15.900 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.101 17.586 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.901 16.320 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.465 14.664 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.721 15.882 12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.999 16.075 13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.500 15.622 14.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.626 17.886 14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.335 17.801 13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.699 18.226 13.400 1.00 0.00 H new ATOM 130 N TYR A 25 4.549 15.870 7.016 1.00 0.00 N ATOM 131 CA TYR A 25 4.602 15.292 5.643 1.00 0.00 C ATOM 132 C TYR A 25 3.451 15.838 4.790 1.00 0.00 C ATOM 133 O TYR A 25 2.607 15.089 4.333 1.00 0.00 O ATOM 134 CB TYR A 25 4.449 13.783 5.847 1.00 0.00 C ATOM 135 CG TYR A 25 5.279 13.334 7.028 1.00 0.00 C ATOM 136 CD1 TYR A 25 6.653 13.602 7.061 1.00 0.00 C ATOM 137 CD2 TYR A 25 4.673 12.651 8.089 1.00 0.00 C ATOM 138 CE1 TYR A 25 7.420 13.186 8.156 1.00 0.00 C ATOM 139 CE2 TYR A 25 5.441 12.234 9.183 1.00 0.00 C ATOM 140 CZ TYR A 25 6.814 12.502 9.217 1.00 0.00 C ATOM 141 OH TYR A 25 7.570 12.092 10.297 1.00 0.00 O ATOM 0 H TYR A 25 3.741 15.593 7.573 1.00 0.00 H new ATOM 0 HA TYR A 25 5.526 15.545 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.401 13.535 6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.764 13.252 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.121 14.129 6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.613 12.446 8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.480 13.393 8.182 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.974 11.705 10.001 1.00 0.00 H new ATOM 0 HH TYR A 25 6.994 11.633 10.944 1.00 0.00 H new ATOM 151 N PRO A 26 3.455 17.130 4.601 1.00 0.00 N ATOM 152 CA PRO A 26 2.395 17.788 3.795 1.00 0.00 C ATOM 153 C PRO A 26 2.535 17.421 2.316 1.00 0.00 C ATOM 154 O PRO A 26 1.578 17.448 1.567 1.00 0.00 O ATOM 155 CB PRO A 26 2.653 19.277 4.013 1.00 0.00 C ATOM 156 CG PRO A 26 4.100 19.364 4.374 1.00 0.00 C ATOM 157 CD PRO A 26 4.439 18.095 5.107 1.00 0.00 C ATOM 0 HA PRO A 26 1.389 17.486 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.434 19.852 3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.022 19.676 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.716 19.472 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.291 20.236 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.459 17.773 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.358 18.222 6.187 1.00 0.00 H new ATOM 165 N ASP A 27 3.717 17.078 1.888 1.00 0.00 N ATOM 166 CA ASP A 27 3.913 16.710 0.457 1.00 0.00 C ATOM 167 C ASP A 27 4.063 15.194 0.315 1.00 0.00 C ATOM 168 O ASP A 27 4.577 14.702 -0.671 1.00 0.00 O ATOM 169 CB ASP A 27 5.201 17.419 0.037 1.00 0.00 C ATOM 170 CG ASP A 27 5.090 17.856 -1.424 1.00 0.00 C ATOM 171 OD1 ASP A 27 5.333 17.029 -2.290 1.00 0.00 O ATOM 172 OD2 ASP A 27 4.766 19.009 -1.656 1.00 0.00 O ATOM 0 H ASP A 27 4.556 17.036 2.466 1.00 0.00 H new ATOM 0 HA ASP A 27 3.066 17.003 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.376 18.286 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.054 16.752 0.164 1.00 0.00 H new ATOM 177 N ARG A 28 3.622 14.447 1.291 1.00 0.00 N ATOM 178 CA ARG A 28 3.747 12.964 1.203 1.00 0.00 C ATOM 179 C ARG A 28 2.374 12.328 0.959 1.00 0.00 C ATOM 180 O ARG A 28 1.434 12.988 0.566 1.00 0.00 O ATOM 181 CB ARG A 28 4.303 12.534 2.560 1.00 0.00 C ATOM 182 CG ARG A 28 5.828 12.656 2.548 1.00 0.00 C ATOM 183 CD ARG A 28 6.223 14.134 2.510 1.00 0.00 C ATOM 184 NE ARG A 28 7.379 14.247 3.441 1.00 0.00 N ATOM 185 CZ ARG A 28 8.541 14.646 2.997 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.831 15.918 2.982 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.410 13.772 2.567 1.00 0.00 N ATOM 0 H ARG A 28 3.182 14.798 2.142 1.00 0.00 H new ATOM 0 HA ARG A 28 4.390 12.652 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.884 13.157 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.011 11.506 2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.248 12.179 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.238 12.137 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.497 14.444 1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.397 14.772 2.826 1.00 0.00 H new ATOM 0 HE ARG A 28 7.264 14.013 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.151 16.600 3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.738 16.230 2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.182 12.778 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.317 14.083 2.220 1.00 0.00 H new ATOM 199 N VAL A 29 2.256 11.049 1.191 1.00 0.00 N ATOM 200 CA VAL A 29 0.946 10.370 0.975 1.00 0.00 C ATOM 201 C VAL A 29 0.738 9.275 2.027 1.00 0.00 C ATOM 202 O VAL A 29 1.401 8.254 2.003 1.00 0.00 O ATOM 203 CB VAL A 29 1.038 9.760 -0.427 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.057 8.705 -0.599 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.853 10.860 -1.473 1.00 0.00 C ATOM 0 H VAL A 29 3.009 10.445 1.520 1.00 0.00 H new ATOM 0 HA VAL A 29 0.105 11.058 1.063 1.00 0.00 H new ATOM 0 HB VAL A 29 2.015 9.294 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.009 8.271 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.073 7.921 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.034 9.170 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.918 10.427 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.124 11.326 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.633 11.612 -1.352 1.00 0.00 H new ATOM 215 N PRO A 30 -0.186 9.530 2.917 1.00 0.00 N ATOM 216 CA PRO A 30 -0.502 8.560 3.992 1.00 0.00 C ATOM 217 C PRO A 30 -1.329 7.399 3.430 1.00 0.00 C ATOM 218 O PRO A 30 -2.536 7.487 3.292 1.00 0.00 O ATOM 219 CB PRO A 30 -1.322 9.379 4.983 1.00 0.00 C ATOM 220 CG PRO A 30 -1.925 10.484 4.174 1.00 0.00 C ATOM 221 CD PRO A 30 -1.008 10.741 3.004 1.00 0.00 C ATOM 0 HA PRO A 30 0.384 8.115 4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.093 8.770 5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.695 9.773 5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.920 10.206 3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.037 11.384 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.571 10.907 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.395 11.628 3.166 1.00 0.00 H new ATOM 229 N VAL A 31 -0.685 6.320 3.089 1.00 0.00 N ATOM 230 CA VAL A 31 -1.417 5.160 2.522 1.00 0.00 C ATOM 231 C VAL A 31 -1.850 4.198 3.635 1.00 0.00 C ATOM 232 O VAL A 31 -1.148 4.004 4.608 1.00 0.00 O ATOM 233 CB VAL A 31 -0.416 4.482 1.565 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.539 5.519 0.965 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.401 3.412 2.304 1.00 0.00 C ATOM 0 H VAL A 31 0.323 6.193 3.180 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.328 5.462 2.006 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.986 4.009 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.239 5.023 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.033 6.262 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.092 6.010 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.101 2.946 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.954 3.876 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.271 2.654 2.705 1.00 0.00 H new ATOM 245 N ILE A 32 -2.981 3.570 3.480 1.00 0.00 N ATOM 246 CA ILE A 32 -3.435 2.594 4.510 1.00 0.00 C ATOM 247 C ILE A 32 -3.113 1.187 4.000 1.00 0.00 C ATOM 248 O ILE A 32 -2.976 0.971 2.811 1.00 0.00 O ATOM 249 CB ILE A 32 -4.949 2.820 4.658 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.213 3.800 5.807 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.660 1.496 4.964 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.260 4.994 5.708 1.00 0.00 C ATOM 0 H ILE A 32 -3.610 3.689 2.686 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.946 2.716 5.477 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.332 3.227 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.246 4.145 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.079 3.296 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.731 1.673 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.484 0.792 4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.271 1.080 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.455 5.684 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.230 4.643 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.415 5.506 4.758 1.00 0.00 H new ATOM 264 N VAL A 33 -2.973 0.236 4.874 1.00 0.00 N ATOM 265 CA VAL A 33 -2.639 -1.134 4.405 1.00 0.00 C ATOM 266 C VAL A 33 -3.532 -2.176 5.079 1.00 0.00 C ATOM 267 O VAL A 33 -3.774 -2.143 6.269 1.00 0.00 O ATOM 268 CB VAL A 33 -1.162 -1.317 4.780 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.846 -2.796 5.025 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.296 -0.801 3.630 1.00 0.00 C ATOM 0 H VAL A 33 -3.074 0.344 5.883 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.803 -1.263 3.335 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.955 -0.761 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.206 -2.904 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.466 -3.170 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.053 -3.367 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.757 -0.925 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.520 -1.365 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.507 0.255 3.461 1.00 0.00 H new ATOM 280 N GLU A 34 -4.012 -3.108 4.308 1.00 0.00 N ATOM 281 CA GLU A 34 -4.885 -4.179 4.860 1.00 0.00 C ATOM 282 C GLU A 34 -4.677 -5.469 4.061 1.00 0.00 C ATOM 283 O GLU A 34 -3.929 -5.505 3.099 1.00 0.00 O ATOM 284 CB GLU A 34 -6.314 -3.662 4.689 1.00 0.00 C ATOM 285 CG GLU A 34 -6.923 -3.380 6.063 1.00 0.00 C ATOM 286 CD GLU A 34 -8.440 -3.232 5.930 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.869 -2.287 5.287 1.00 0.00 O ATOM 288 OE2 GLU A 34 -9.146 -4.067 6.471 1.00 0.00 O ATOM 0 H GLU A 34 -3.835 -3.175 3.306 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.665 -4.403 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.314 -2.754 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.917 -4.398 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.685 -4.191 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.494 -2.470 6.483 1.00 0.00 H new ATOM 295 N LYS A 35 -5.325 -6.531 4.444 1.00 0.00 N ATOM 296 CA LYS A 35 -5.150 -7.808 3.699 1.00 0.00 C ATOM 297 C LYS A 35 -6.442 -8.194 2.983 1.00 0.00 C ATOM 298 O LYS A 35 -7.522 -7.774 3.350 1.00 0.00 O ATOM 299 CB LYS A 35 -4.805 -8.849 4.760 1.00 0.00 C ATOM 300 CG LYS A 35 -3.494 -9.539 4.385 1.00 0.00 C ATOM 301 CD LYS A 35 -2.367 -8.507 4.346 1.00 0.00 C ATOM 302 CE LYS A 35 -2.299 -7.771 5.685 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.405 -8.839 6.718 1.00 0.00 N ATOM 0 H LYS A 35 -5.966 -6.571 5.237 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.376 -7.727 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.712 -8.373 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.606 -9.584 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.262 -10.320 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.591 -10.024 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.416 -8.999 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.539 -7.797 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.365 -7.217 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.110 -7.048 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.915 -8.535 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.407 -9.017 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.967 -9.712 6.361 1.00 0.00 H new ATOM 317 N ALA A 36 -6.335 -9.007 1.972 1.00 0.00 N ATOM 318 CA ALA A 36 -7.552 -9.445 1.231 1.00 0.00 C ATOM 319 C ALA A 36 -8.451 -10.257 2.171 1.00 0.00 C ATOM 320 O ALA A 36 -8.217 -10.286 3.364 1.00 0.00 O ATOM 321 CB ALA A 36 -7.022 -10.313 0.089 1.00 0.00 C ATOM 0 H ALA A 36 -5.455 -9.389 1.624 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.149 -8.614 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.857 -10.678 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.357 -9.721 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.473 -11.160 0.500 1.00 0.00 H new ATOM 327 N PRO A 37 -9.452 -10.895 1.619 1.00 0.00 N ATOM 328 CA PRO A 37 -10.367 -11.703 2.455 1.00 0.00 C ATOM 329 C PRO A 37 -9.675 -12.994 2.900 1.00 0.00 C ATOM 330 O PRO A 37 -9.431 -13.885 2.111 1.00 0.00 O ATOM 331 CB PRO A 37 -11.544 -11.992 1.528 1.00 0.00 C ATOM 332 CG PRO A 37 -10.988 -11.887 0.144 1.00 0.00 C ATOM 333 CD PRO A 37 -9.823 -10.930 0.197 1.00 0.00 C ATOM 0 HA PRO A 37 -10.677 -11.198 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.956 -12.984 1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.352 -11.277 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.666 -12.864 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.749 -11.528 -0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.995 -11.275 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.103 -9.941 -0.166 1.00 0.00 H new ATOM 341 N LYS A 38 -9.353 -13.096 4.161 1.00 0.00 N ATOM 342 CA LYS A 38 -8.674 -14.323 4.666 1.00 0.00 C ATOM 343 C LYS A 38 -7.292 -14.473 4.022 1.00 0.00 C ATOM 344 O LYS A 38 -6.885 -15.556 3.653 1.00 0.00 O ATOM 345 CB LYS A 38 -9.590 -15.472 4.256 1.00 0.00 C ATOM 346 CG LYS A 38 -10.167 -16.135 5.507 1.00 0.00 C ATOM 347 CD LYS A 38 -9.032 -16.731 6.343 1.00 0.00 C ATOM 348 CE LYS A 38 -8.334 -17.834 5.544 1.00 0.00 C ATOM 349 NZ LYS A 38 -6.889 -17.470 5.569 1.00 0.00 N ATOM 0 H LYS A 38 -9.532 -12.380 4.865 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.513 -14.294 5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.396 -15.101 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.034 -16.202 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.720 -15.404 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.873 -16.916 5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.317 -15.953 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.427 -17.136 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.502 -18.813 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.712 -17.881 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.315 -18.311 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.704 -16.734 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.638 -17.111 6.512 1.00 0.00 H new ATOM 363 N ALA A 39 -6.565 -13.396 3.889 1.00 0.00 N ATOM 364 CA ALA A 39 -5.208 -13.488 3.276 1.00 0.00 C ATOM 365 C ALA A 39 -4.316 -14.397 4.125 1.00 0.00 C ATOM 366 O ALA A 39 -4.707 -14.848 5.182 1.00 0.00 O ATOM 367 CB ALA A 39 -4.673 -12.057 3.277 1.00 0.00 C ATOM 0 H ALA A 39 -6.850 -12.460 4.177 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.232 -13.909 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.675 -12.042 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.336 -11.420 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.626 -11.687 4.301 1.00 0.00 H new ATOM 373 N ARG A 40 -3.124 -14.677 3.673 1.00 0.00 N ATOM 374 CA ARG A 40 -2.227 -15.563 4.469 1.00 0.00 C ATOM 375 C ARG A 40 -0.754 -15.218 4.226 1.00 0.00 C ATOM 376 O ARG A 40 0.098 -16.084 4.234 1.00 0.00 O ATOM 377 CB ARG A 40 -2.530 -16.976 3.970 1.00 0.00 C ATOM 378 CG ARG A 40 -2.112 -17.097 2.504 1.00 0.00 C ATOM 379 CD ARG A 40 -1.417 -18.442 2.280 1.00 0.00 C ATOM 380 NE ARG A 40 -0.088 -18.097 1.703 1.00 0.00 N ATOM 381 CZ ARG A 40 0.830 -19.018 1.584 1.00 0.00 C ATOM 382 NH1 ARG A 40 0.492 -20.277 1.558 1.00 0.00 N ATOM 383 NH2 ARG A 40 2.086 -18.677 1.490 1.00 0.00 N ATOM 0 H ARG A 40 -2.735 -14.334 2.795 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.397 -15.453 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.995 -17.709 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.593 -17.191 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.986 -17.015 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.441 -16.280 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.311 -18.992 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.990 -19.074 1.602 1.00 0.00 H new ATOM 0 HE ARG A 40 0.105 -17.142 1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.490 -20.543 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.210 -20.996 1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.350 -17.692 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.804 -19.396 1.397 1.00 0.00 H new ATOM 395 N ILE A 41 -0.436 -13.967 4.022 1.00 0.00 N ATOM 396 CA ILE A 41 0.995 -13.609 3.795 1.00 0.00 C ATOM 397 C ILE A 41 1.692 -13.354 5.137 1.00 0.00 C ATOM 398 O ILE A 41 1.116 -13.541 6.190 1.00 0.00 O ATOM 399 CB ILE A 41 1.014 -12.357 2.896 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.017 -11.306 3.341 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.704 -12.769 1.457 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.018 -11.136 4.857 1.00 0.00 C ATOM 0 H ILE A 41 -1.094 -13.188 4.003 1.00 0.00 H new ATOM 0 HA ILE A 41 1.535 -14.420 3.307 1.00 0.00 H new ATOM 0 HB ILE A 41 2.006 -11.911 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.194 -10.353 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.015 -11.610 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.716 -11.888 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.456 -13.479 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.281 -13.234 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.717 -10.389 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.216 -12.087 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.012 -10.810 5.164 1.00 0.00 H new ATOM 414 N GLY A 42 2.931 -12.948 5.109 1.00 0.00 N ATOM 415 CA GLY A 42 3.666 -12.705 6.388 1.00 0.00 C ATOM 416 C GLY A 42 2.826 -11.839 7.327 1.00 0.00 C ATOM 417 O GLY A 42 1.738 -11.416 6.996 1.00 0.00 O ATOM 0 H GLY A 42 3.468 -12.774 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.897 -13.656 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.616 -12.213 6.181 1.00 0.00 H new ATOM 421 N ASP A 43 3.327 -11.572 8.502 1.00 0.00 N ATOM 422 CA ASP A 43 2.562 -10.731 9.466 1.00 0.00 C ATOM 423 C ASP A 43 2.777 -9.249 9.145 1.00 0.00 C ATOM 424 O ASP A 43 3.437 -8.906 8.185 1.00 0.00 O ATOM 425 CB ASP A 43 3.138 -11.076 10.839 1.00 0.00 C ATOM 426 CG ASP A 43 1.994 -11.346 11.817 1.00 0.00 C ATOM 427 OD1 ASP A 43 0.890 -10.905 11.543 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.240 -11.990 12.824 1.00 0.00 O ATOM 0 H ASP A 43 4.233 -11.900 8.836 1.00 0.00 H new ATOM 0 HA ASP A 43 1.489 -10.916 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.782 -11.952 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.756 -10.255 11.203 1.00 0.00 H new ATOM 433 N LEU A 44 2.227 -8.369 9.935 1.00 0.00 N ATOM 434 CA LEU A 44 2.409 -6.915 9.658 1.00 0.00 C ATOM 435 C LEU A 44 2.694 -6.148 10.950 1.00 0.00 C ATOM 436 O LEU A 44 2.003 -6.291 11.938 1.00 0.00 O ATOM 437 CB LEU A 44 1.082 -6.450 9.062 1.00 0.00 C ATOM 438 CG LEU A 44 1.210 -6.327 7.544 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.404 -5.434 7.199 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.417 -7.716 6.935 1.00 0.00 C ATOM 0 H LEU A 44 1.663 -8.591 10.755 1.00 0.00 H new ATOM 0 HA LEU A 44 3.251 -6.738 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.292 -7.158 9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.797 -5.489 9.491 1.00 0.00 H new ATOM 0 HG LEU A 44 0.300 -5.884 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.493 -5.348 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.255 -4.444 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.316 -5.873 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.508 -7.629 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.326 -8.160 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.564 -8.350 7.177 1.00 0.00 H new ATOM 452 N ASP A 45 3.698 -5.319 10.939 1.00 0.00 N ATOM 453 CA ASP A 45 4.021 -4.521 12.155 1.00 0.00 C ATOM 454 C ASP A 45 3.198 -3.232 12.151 1.00 0.00 C ATOM 455 O ASP A 45 2.903 -2.661 13.182 1.00 0.00 O ATOM 456 CB ASP A 45 5.514 -4.209 12.043 1.00 0.00 C ATOM 457 CG ASP A 45 6.118 -4.090 13.443 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.028 -3.017 14.017 1.00 0.00 O ATOM 459 OD2 ASP A 45 6.659 -5.075 13.919 1.00 0.00 O ATOM 0 H ASP A 45 4.311 -5.158 10.140 1.00 0.00 H new ATOM 0 HA ASP A 45 3.792 -5.051 13.080 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.020 -4.996 11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.662 -3.280 11.492 1.00 0.00 H new ATOM 464 N LYS A 46 2.827 -2.771 10.986 1.00 0.00 N ATOM 465 CA LYS A 46 2.025 -1.521 10.889 1.00 0.00 C ATOM 466 C LYS A 46 1.172 -1.549 9.616 1.00 0.00 C ATOM 467 O LYS A 46 1.508 -2.205 8.651 1.00 0.00 O ATOM 468 CB LYS A 46 3.060 -0.400 10.821 1.00 0.00 C ATOM 469 CG LYS A 46 4.066 -0.697 9.706 1.00 0.00 C ATOM 470 CD LYS A 46 3.515 -0.187 8.373 1.00 0.00 C ATOM 471 CE LYS A 46 4.662 0.361 7.522 1.00 0.00 C ATOM 472 NZ LYS A 46 5.096 1.604 8.218 1.00 0.00 N ATOM 0 H LYS A 46 3.048 -3.211 10.093 1.00 0.00 H new ATOM 0 HA LYS A 46 1.341 -1.392 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.566 0.554 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.577 -0.310 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.020 -0.217 9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.254 -1.769 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.009 -0.995 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.774 0.593 8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.479 -0.357 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.333 0.572 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.374 2.317 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.311 1.972 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.906 1.392 8.835 1.00 0.00 H new ATOM 486 N LYS A 47 0.072 -0.843 9.601 1.00 0.00 N ATOM 487 CA LYS A 47 -0.790 -0.839 8.384 1.00 0.00 C ATOM 488 C LYS A 47 -0.919 0.582 7.842 1.00 0.00 C ATOM 489 O LYS A 47 -1.989 1.033 7.487 1.00 0.00 O ATOM 490 CB LYS A 47 -2.147 -1.361 8.855 1.00 0.00 C ATOM 491 CG LYS A 47 -1.956 -2.684 9.598 1.00 0.00 C ATOM 492 CD LYS A 47 -2.006 -2.434 11.106 1.00 0.00 C ATOM 493 CE LYS A 47 -1.070 -3.412 11.817 1.00 0.00 C ATOM 494 NZ LYS A 47 -1.888 -3.997 12.915 1.00 0.00 N ATOM 0 H LYS A 47 -0.265 -0.271 10.376 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.378 -1.451 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.622 -0.630 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.810 -1.504 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.734 -3.391 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.001 -3.132 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.711 -1.408 11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.025 -2.558 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.714 -4.184 11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.190 -2.902 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.314 -4.680 13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.207 -3.239 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.715 -4.481 12.511 1.00 0.00 H new ATOM 508 N LYS A 48 0.170 1.290 7.774 1.00 0.00 N ATOM 509 CA LYS A 48 0.126 2.684 7.251 1.00 0.00 C ATOM 510 C LYS A 48 1.521 3.099 6.788 1.00 0.00 C ATOM 511 O LYS A 48 2.422 3.269 7.586 1.00 0.00 O ATOM 512 CB LYS A 48 -0.330 3.542 8.433 1.00 0.00 C ATOM 513 CG LYS A 48 0.748 3.532 9.519 1.00 0.00 C ATOM 514 CD LYS A 48 0.085 3.565 10.897 1.00 0.00 C ATOM 515 CE LYS A 48 1.104 3.160 11.965 1.00 0.00 C ATOM 516 NZ LYS A 48 2.169 4.199 11.893 1.00 0.00 N ATOM 0 H LYS A 48 1.093 0.964 8.059 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.544 2.791 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.519 4.564 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.268 3.158 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.367 2.640 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.407 4.392 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.297 4.565 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.768 2.887 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.648 3.130 12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.508 2.167 11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.701 4.213 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.816 3.980 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.735 5.131 11.734 1.00 0.00 H new ATOM 530 N TYR A 49 1.717 3.263 5.508 1.00 0.00 N ATOM 531 CA TYR A 49 3.065 3.664 5.022 1.00 0.00 C ATOM 532 C TYR A 49 3.074 5.142 4.643 1.00 0.00 C ATOM 533 O TYR A 49 2.143 5.654 4.053 1.00 0.00 O ATOM 534 CB TYR A 49 3.339 2.804 3.788 1.00 0.00 C ATOM 535 CG TYR A 49 3.516 1.358 4.192 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.447 0.643 4.743 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.755 0.734 4.013 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.616 -0.696 5.118 1.00 0.00 C ATOM 539 CE2 TYR A 49 4.926 -0.605 4.386 1.00 0.00 C ATOM 540 CZ TYR A 49 3.857 -1.320 4.939 1.00 0.00 C ATOM 541 OH TYR A 49 4.026 -2.640 5.309 1.00 0.00 O ATOM 0 H TYR A 49 1.009 3.138 4.785 1.00 0.00 H new ATOM 0 HA TYR A 49 3.825 3.520 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.514 2.894 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.235 3.160 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.490 1.124 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.580 1.285 3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.790 -1.246 5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.883 -1.086 4.247 1.00 0.00 H new ATOM 0 HH TYR A 49 3.175 -3.117 5.217 1.00 0.00 H new ATOM 551 N LEU A 50 4.131 5.822 4.964 1.00 0.00 N ATOM 552 CA LEU A 50 4.233 7.266 4.615 1.00 0.00 C ATOM 553 C LEU A 50 5.135 7.412 3.391 1.00 0.00 C ATOM 554 O LEU A 50 6.342 7.498 3.505 1.00 0.00 O ATOM 555 CB LEU A 50 4.868 7.931 5.838 1.00 0.00 C ATOM 556 CG LEU A 50 3.770 8.391 6.799 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.795 9.311 6.063 1.00 0.00 C ATOM 558 CD2 LEU A 50 3.016 7.170 7.330 1.00 0.00 C ATOM 0 H LEU A 50 4.938 5.440 5.457 1.00 0.00 H new ATOM 0 HA LEU A 50 3.270 7.718 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.535 7.230 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.474 8.782 5.528 1.00 0.00 H new ATOM 0 HG LEU A 50 4.220 8.933 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.014 9.637 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.331 10.181 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.344 8.771 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.233 7.495 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.567 6.629 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.710 6.515 7.857 1.00 0.00 H new ATOM 570 N VAL A 51 4.566 7.414 2.218 1.00 0.00 N ATOM 571 CA VAL A 51 5.407 7.526 0.994 1.00 0.00 C ATOM 572 C VAL A 51 5.102 8.821 0.239 1.00 0.00 C ATOM 573 O VAL A 51 3.967 9.241 0.162 1.00 0.00 O ATOM 574 CB VAL A 51 5.025 6.308 0.151 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.408 5.027 0.899 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.516 6.317 -0.102 1.00 0.00 C ATOM 0 H VAL A 51 3.562 7.343 2.054 1.00 0.00 H new ATOM 0 HA VAL A 51 6.471 7.552 1.228 1.00 0.00 H new ATOM 0 HB VAL A 51 5.555 6.345 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.136 4.159 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.483 5.019 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.879 4.989 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.243 5.450 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.987 6.280 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.242 7.228 -0.634 1.00 0.00 H new ATOM 586 N PRO A 52 6.137 9.405 -0.302 1.00 0.00 N ATOM 587 CA PRO A 52 5.985 10.663 -1.071 1.00 0.00 C ATOM 588 C PRO A 52 5.203 10.396 -2.361 1.00 0.00 C ATOM 589 O PRO A 52 5.251 9.316 -2.917 1.00 0.00 O ATOM 590 CB PRO A 52 7.428 11.085 -1.353 1.00 0.00 C ATOM 591 CG PRO A 52 8.214 9.817 -1.281 1.00 0.00 C ATOM 592 CD PRO A 52 7.532 8.954 -0.254 1.00 0.00 C ATOM 0 HA PRO A 52 5.429 11.439 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.520 11.553 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.779 11.811 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.240 9.320 -2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.247 10.016 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.620 7.895 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.965 9.091 0.737 1.00 0.00 H new ATOM 600 N SER A 53 4.460 11.362 -2.823 1.00 0.00 N ATOM 601 CA SER A 53 3.645 11.166 -4.056 1.00 0.00 C ATOM 602 C SER A 53 4.529 10.897 -5.281 1.00 0.00 C ATOM 603 O SER A 53 4.053 10.475 -6.315 1.00 0.00 O ATOM 604 CB SER A 53 2.884 12.480 -4.226 1.00 0.00 C ATOM 605 OG SER A 53 1.651 12.405 -3.524 1.00 0.00 O ATOM 0 H SER A 53 4.381 12.285 -2.397 1.00 0.00 H new ATOM 0 HA SER A 53 2.985 10.303 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.481 13.310 -3.848 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.702 12.674 -5.283 1.00 0.00 H new ATOM 0 HG SER A 53 1.162 13.248 -3.630 1.00 0.00 H new ATOM 611 N ASP A 54 5.805 11.143 -5.178 1.00 0.00 N ATOM 612 CA ASP A 54 6.704 10.911 -6.346 1.00 0.00 C ATOM 613 C ASP A 54 7.126 9.440 -6.427 1.00 0.00 C ATOM 614 O ASP A 54 7.641 8.990 -7.432 1.00 0.00 O ATOM 615 CB ASP A 54 7.921 11.800 -6.085 1.00 0.00 C ATOM 616 CG ASP A 54 8.627 12.103 -7.409 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.446 11.340 -8.342 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.338 13.093 -7.465 1.00 0.00 O ATOM 0 H ASP A 54 6.265 11.494 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 54 6.213 11.145 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.610 12.728 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.608 11.302 -5.400 1.00 0.00 H new ATOM 623 N LEU A 55 6.927 8.689 -5.380 1.00 0.00 N ATOM 624 CA LEU A 55 7.335 7.253 -5.412 1.00 0.00 C ATOM 625 C LEU A 55 6.564 6.478 -6.477 1.00 0.00 C ATOM 626 O LEU A 55 5.386 6.687 -6.689 1.00 0.00 O ATOM 627 CB LEU A 55 6.993 6.687 -4.032 1.00 0.00 C ATOM 628 CG LEU A 55 8.266 6.545 -3.198 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.968 5.712 -1.952 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.352 5.836 -4.015 1.00 0.00 C ATOM 0 H LEU A 55 6.502 9.003 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 55 8.395 7.164 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.287 7.344 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.507 5.717 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 55 8.613 7.538 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.875 5.610 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.199 6.207 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.617 4.724 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.255 5.739 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.001 4.845 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.573 6.418 -4.909 1.00 0.00 H new ATOM 642 N THR A 56 7.223 5.562 -7.127 1.00 0.00 N ATOM 643 CA THR A 56 6.540 4.737 -8.161 1.00 0.00 C ATOM 644 C THR A 56 5.974 3.473 -7.507 1.00 0.00 C ATOM 645 O THR A 56 6.347 3.113 -6.405 1.00 0.00 O ATOM 646 CB THR A 56 7.631 4.379 -9.172 1.00 0.00 C ATOM 647 OG1 THR A 56 8.834 4.076 -8.480 1.00 0.00 O ATOM 648 CG2 THR A 56 7.866 5.560 -10.115 1.00 0.00 C ATOM 0 H THR A 56 8.210 5.348 -6.986 1.00 0.00 H new ATOM 0 HA THR A 56 5.710 5.259 -8.637 1.00 0.00 H new ATOM 0 HB THR A 56 7.317 3.512 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.534 3.845 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.644 5.302 -10.834 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.943 5.791 -10.646 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.180 6.430 -9.538 1.00 0.00 H new ATOM 656 N VAL A 57 5.081 2.792 -8.168 1.00 0.00 N ATOM 657 CA VAL A 57 4.506 1.554 -7.569 1.00 0.00 C ATOM 658 C VAL A 57 5.612 0.520 -7.335 1.00 0.00 C ATOM 659 O VAL A 57 5.496 -0.347 -6.491 1.00 0.00 O ATOM 660 CB VAL A 57 3.501 1.045 -8.601 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.100 -0.392 -8.260 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.257 1.937 -8.581 1.00 0.00 C ATOM 0 H VAL A 57 4.725 3.036 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 57 4.036 1.740 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 57 3.954 1.070 -9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.383 -0.754 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.985 -1.029 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.646 -0.418 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.538 1.576 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.806 1.910 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.540 2.961 -8.823 1.00 0.00 H new ATOM 672 N GLY A 58 6.684 0.605 -8.076 1.00 0.00 N ATOM 673 CA GLY A 58 7.797 -0.373 -7.896 1.00 0.00 C ATOM 674 C GLY A 58 8.516 -0.104 -6.571 1.00 0.00 C ATOM 675 O GLY A 58 9.015 -1.009 -5.932 1.00 0.00 O ATOM 0 H GLY A 58 6.838 1.309 -8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.405 -1.390 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.501 -0.293 -8.725 1.00 0.00 H new ATOM 679 N GLN A 59 8.573 1.132 -6.150 1.00 0.00 N ATOM 680 CA GLN A 59 9.261 1.450 -4.864 1.00 0.00 C ATOM 681 C GLN A 59 8.390 1.014 -3.687 1.00 0.00 C ATOM 682 O GLN A 59 8.848 0.363 -2.758 1.00 0.00 O ATOM 683 CB GLN A 59 9.431 2.969 -4.868 1.00 0.00 C ATOM 684 CG GLN A 59 10.267 3.382 -6.079 1.00 0.00 C ATOM 685 CD GLN A 59 11.745 3.423 -5.690 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.549 2.692 -6.232 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.141 4.255 -4.764 1.00 0.00 N ATOM 0 H GLN A 59 8.174 1.933 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 59 10.217 0.935 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.456 3.455 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.917 3.294 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.115 2.677 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.947 4.360 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.466 4.869 -4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.125 4.290 -4.497 1.00 0.00 H new ATOM 696 N PHE A 60 7.133 1.360 -3.714 1.00 0.00 N ATOM 697 CA PHE A 60 6.248 0.951 -2.593 1.00 0.00 C ATOM 698 C PHE A 60 6.222 -0.575 -2.501 1.00 0.00 C ATOM 699 O PHE A 60 6.124 -1.139 -1.433 1.00 0.00 O ATOM 700 CB PHE A 60 4.857 1.497 -2.920 1.00 0.00 C ATOM 701 CG PHE A 60 3.956 1.208 -1.747 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.291 1.699 -0.478 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.809 0.426 -1.913 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.477 1.410 0.623 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.000 0.131 -0.811 1.00 0.00 C ATOM 706 CZ PHE A 60 2.337 0.625 0.457 1.00 0.00 C ATOM 0 H PHE A 60 6.686 1.901 -4.454 1.00 0.00 H new ATOM 0 HA PHE A 60 6.597 1.337 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.903 2.569 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.467 1.030 -3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.178 2.301 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.548 0.050 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.732 1.794 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.116 -0.477 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.712 0.397 1.308 1.00 0.00 H new ATOM 716 N TYR A 61 6.335 -1.246 -3.613 1.00 0.00 N ATOM 717 CA TYR A 61 6.342 -2.734 -3.588 1.00 0.00 C ATOM 718 C TYR A 61 7.525 -3.226 -2.757 1.00 0.00 C ATOM 719 O TYR A 61 7.470 -4.265 -2.126 1.00 0.00 O ATOM 720 CB TYR A 61 6.529 -3.135 -5.052 1.00 0.00 C ATOM 721 CG TYR A 61 5.498 -4.159 -5.459 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.538 -5.454 -4.926 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.508 -3.811 -6.381 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.582 -6.401 -5.319 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.552 -4.756 -6.774 1.00 0.00 C ATOM 726 CZ TYR A 61 3.590 -6.051 -6.242 1.00 0.00 C ATOM 727 OH TYR A 61 2.647 -6.982 -6.629 1.00 0.00 O ATOM 0 H TYR A 61 6.423 -0.827 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 61 5.436 -3.156 -3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.446 -2.255 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.530 -3.541 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.304 -5.722 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.480 -2.812 -6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.611 -7.400 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.786 -4.486 -7.486 1.00 0.00 H new ATOM 0 HH TYR A 61 2.031 -6.575 -7.274 1.00 0.00 H new ATOM 737 N PHE A 62 8.599 -2.491 -2.766 1.00 0.00 N ATOM 738 CA PHE A 62 9.798 -2.911 -1.993 1.00 0.00 C ATOM 739 C PHE A 62 9.565 -2.750 -0.490 1.00 0.00 C ATOM 740 O PHE A 62 9.785 -3.667 0.277 1.00 0.00 O ATOM 741 CB PHE A 62 10.913 -1.976 -2.464 1.00 0.00 C ATOM 742 CG PHE A 62 12.239 -2.696 -2.391 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.504 -3.761 -3.261 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.200 -2.300 -1.455 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.733 -4.429 -3.194 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.429 -2.968 -1.387 1.00 0.00 C ATOM 747 CZ PHE A 62 14.695 -4.032 -2.257 1.00 0.00 C ATOM 0 H PHE A 62 8.699 -1.614 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 62 10.039 -3.961 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.720 -1.649 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.938 -1.081 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.761 -4.067 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.994 -1.479 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.939 -5.250 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.171 -2.663 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.643 -4.547 -2.206 1.00 0.00 H new ATOM 757 N LEU A 63 9.157 -1.591 -0.048 1.00 0.00 N ATOM 758 CA LEU A 63 8.964 -1.408 1.427 1.00 0.00 C ATOM 759 C LEU A 63 7.926 -2.386 2.014 1.00 0.00 C ATOM 760 O LEU A 63 8.094 -2.847 3.125 1.00 0.00 O ATOM 761 CB LEU A 63 8.560 0.056 1.669 1.00 0.00 C ATOM 762 CG LEU A 63 7.455 0.510 0.716 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.117 0.518 1.454 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.782 1.929 0.239 1.00 0.00 C ATOM 0 H LEU A 63 8.952 -0.776 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 63 9.897 -1.634 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.222 0.173 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.432 0.698 1.545 1.00 0.00 H new ATOM 0 HG LEU A 63 7.390 -0.168 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.329 0.842 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.895 -0.486 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.172 1.204 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.004 2.272 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.833 2.599 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.742 1.927 -0.277 1.00 0.00 H new ATOM 776 N ILE A 64 6.873 -2.745 1.313 1.00 0.00 N ATOM 777 CA ILE A 64 5.921 -3.726 1.944 1.00 0.00 C ATOM 778 C ILE A 64 6.509 -5.133 1.854 1.00 0.00 C ATOM 779 O ILE A 64 6.280 -5.965 2.708 1.00 0.00 O ATOM 780 CB ILE A 64 4.571 -3.713 1.201 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.423 -2.517 0.256 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.446 -3.669 2.238 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.959 -2.399 -0.173 1.00 0.00 C ATOM 0 H ILE A 64 6.636 -2.421 0.375 1.00 0.00 H new ATOM 0 HA ILE A 64 5.768 -3.443 2.985 1.00 0.00 H new ATOM 0 HB ILE A 64 4.521 -4.615 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.744 -1.602 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.062 -2.646 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.482 -3.659 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.508 -4.548 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.545 -2.769 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.845 -1.550 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.655 -3.312 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.333 -2.251 0.707 1.00 0.00 H new ATOM 795 N ARG A 65 7.253 -5.407 0.816 1.00 0.00 N ATOM 796 CA ARG A 65 7.848 -6.765 0.654 1.00 0.00 C ATOM 797 C ARG A 65 8.339 -7.304 2.003 1.00 0.00 C ATOM 798 O ARG A 65 7.841 -8.292 2.504 1.00 0.00 O ATOM 799 CB ARG A 65 9.023 -6.571 -0.305 1.00 0.00 C ATOM 800 CG ARG A 65 8.730 -7.294 -1.621 1.00 0.00 C ATOM 801 CD ARG A 65 9.899 -7.090 -2.587 1.00 0.00 C ATOM 802 NE ARG A 65 9.926 -8.323 -3.422 1.00 0.00 N ATOM 803 CZ ARG A 65 11.060 -8.768 -3.892 1.00 0.00 C ATOM 804 NH1 ARG A 65 11.846 -9.482 -3.133 1.00 0.00 N ATOM 805 NH2 ARG A 65 11.406 -8.500 -5.122 1.00 0.00 N ATOM 0 H ARG A 65 7.475 -4.747 0.071 1.00 0.00 H new ATOM 0 HA ARG A 65 7.123 -7.486 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.185 -5.509 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.938 -6.960 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.577 -8.358 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.809 -6.911 -2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.754 -6.201 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.837 -6.957 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 65 9.059 -8.820 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.574 -9.692 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.732 -9.830 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.791 -7.943 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.292 -8.847 -5.490 1.00 0.00 H new ATOM 817 N LYS A 66 9.309 -6.665 2.593 1.00 0.00 N ATOM 818 CA LYS A 66 9.823 -7.148 3.907 1.00 0.00 C ATOM 819 C LYS A 66 8.730 -7.042 4.972 1.00 0.00 C ATOM 820 O LYS A 66 8.683 -7.817 5.906 1.00 0.00 O ATOM 821 CB LYS A 66 10.994 -6.224 4.240 1.00 0.00 C ATOM 822 CG LYS A 66 12.150 -6.497 3.275 1.00 0.00 C ATOM 823 CD LYS A 66 12.123 -5.470 2.140 1.00 0.00 C ATOM 824 CE LYS A 66 13.556 -5.082 1.768 1.00 0.00 C ATOM 825 NZ LYS A 66 13.722 -3.692 2.278 1.00 0.00 N ATOM 0 H LYS A 66 9.768 -5.832 2.225 1.00 0.00 H new ATOM 0 HA LYS A 66 10.130 -8.193 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.682 -5.182 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.318 -6.386 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.101 -6.443 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.068 -7.505 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.610 -5.885 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.564 -4.586 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.279 -5.759 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.711 -5.128 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.682 -3.355 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.025 -3.069 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.576 -3.680 3.308 1.00 0.00 H new ATOM 839 N ARG A 67 7.850 -6.090 4.838 1.00 0.00 N ATOM 840 CA ARG A 67 6.760 -5.941 5.843 1.00 0.00 C ATOM 841 C ARG A 67 5.801 -7.131 5.756 1.00 0.00 C ATOM 842 O ARG A 67 5.036 -7.392 6.662 1.00 0.00 O ATOM 843 CB ARG A 67 6.043 -4.646 5.462 1.00 0.00 C ATOM 844 CG ARG A 67 6.960 -3.454 5.738 1.00 0.00 C ATOM 845 CD ARG A 67 7.023 -3.194 7.245 1.00 0.00 C ATOM 846 NE ARG A 67 8.251 -3.899 7.706 1.00 0.00 N ATOM 847 CZ ARG A 67 8.461 -4.081 8.980 1.00 0.00 C ATOM 848 NH1 ARG A 67 8.350 -3.079 9.810 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.784 -5.264 9.427 1.00 0.00 N ATOM 0 H ARG A 67 7.838 -5.410 4.078 1.00 0.00 H new ATOM 0 HA ARG A 67 7.139 -5.910 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.765 -4.668 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.120 -4.548 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.959 -3.654 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.589 -2.569 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.076 -2.127 7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.135 -3.576 7.749 1.00 0.00 H new ATOM 0 HE ARG A 67 8.929 -4.240 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.099 -2.154 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.514 -3.222 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.872 -6.047 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.948 -5.405 10.424 1.00 0.00 H new ATOM 861 N ILE A 68 5.841 -7.859 4.671 1.00 0.00 N ATOM 862 CA ILE A 68 4.935 -9.033 4.529 1.00 0.00 C ATOM 863 C ILE A 68 5.725 -10.325 4.739 1.00 0.00 C ATOM 864 O ILE A 68 5.280 -11.402 4.398 1.00 0.00 O ATOM 865 CB ILE A 68 4.399 -8.953 3.097 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.522 -7.699 2.908 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.564 -10.194 2.793 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.870 -7.281 4.232 1.00 0.00 C ATOM 0 H ILE A 68 6.461 -7.691 3.879 1.00 0.00 H new ATOM 0 HA ILE A 68 4.128 -9.028 5.261 1.00 0.00 H new ATOM 0 HB ILE A 68 5.248 -8.895 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.130 -6.880 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.750 -7.899 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.183 -10.136 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.184 -11.084 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.728 -10.250 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.257 -6.394 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.244 -8.093 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.645 -7.058 4.965 1.00 0.00 H new ATOM 880 N HIS A 69 6.896 -10.217 5.299 1.00 0.00 N ATOM 881 CA HIS A 69 7.728 -11.428 5.545 1.00 0.00 C ATOM 882 C HIS A 69 7.833 -12.275 4.280 1.00 0.00 C ATOM 883 O HIS A 69 8.003 -13.477 4.335 1.00 0.00 O ATOM 884 CB HIS A 69 7.003 -12.194 6.652 1.00 0.00 C ATOM 885 CG HIS A 69 7.959 -12.478 7.778 1.00 0.00 C ATOM 886 ND1 HIS A 69 9.331 -12.526 7.590 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.752 -12.731 9.111 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.893 -12.799 8.781 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.976 -12.933 9.743 1.00 0.00 N ATOM 0 H HIS A 69 7.316 -9.337 5.599 1.00 0.00 H new ATOM 0 HA HIS A 69 8.748 -11.171 5.831 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.157 -11.611 7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.601 -13.128 6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.787 -12.768 9.595 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.957 -12.898 8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.138 -13.139 10.729 1.00 0.00 H new ATOM 897 N LEU A 70 7.752 -11.655 3.141 1.00 0.00 N ATOM 898 CA LEU A 70 7.867 -12.424 1.868 1.00 0.00 C ATOM 899 C LEU A 70 9.177 -12.068 1.165 1.00 0.00 C ATOM 900 O LEU A 70 9.732 -11.006 1.369 1.00 0.00 O ATOM 901 CB LEU A 70 6.664 -12.015 1.019 1.00 0.00 C ATOM 902 CG LEU A 70 6.769 -10.537 0.630 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.733 -10.384 -0.548 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.386 -10.024 0.222 1.00 0.00 C ATOM 0 H LEU A 70 7.611 -10.651 3.032 1.00 0.00 H new ATOM 0 HA LEU A 70 7.875 -13.500 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.616 -12.632 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.742 -12.188 1.574 1.00 0.00 H new ATOM 0 HG LEU A 70 7.140 -9.963 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.807 -9.332 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.718 -10.754 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.362 -10.957 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.455 -8.972 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.020 -10.600 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.696 -10.133 1.059 1.00 0.00 H new ATOM 916 N ARG A 71 9.684 -12.949 0.348 1.00 0.00 N ATOM 917 CA ARG A 71 10.969 -12.653 -0.351 1.00 0.00 C ATOM 918 C ARG A 71 11.206 -13.638 -1.501 1.00 0.00 C ATOM 919 O ARG A 71 10.363 -14.451 -1.823 1.00 0.00 O ATOM 920 CB ARG A 71 12.040 -12.828 0.726 1.00 0.00 C ATOM 921 CG ARG A 71 12.222 -14.319 1.036 1.00 0.00 C ATOM 922 CD ARG A 71 11.828 -14.589 2.490 1.00 0.00 C ATOM 923 NE ARG A 71 13.118 -14.745 3.215 1.00 0.00 N ATOM 924 CZ ARG A 71 13.157 -14.602 4.512 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.481 -15.415 5.278 1.00 0.00 N ATOM 926 NH2 ARG A 71 13.869 -13.646 5.043 1.00 0.00 N ATOM 0 H ARG A 71 9.269 -13.856 0.134 1.00 0.00 H new ATOM 0 HA ARG A 71 10.975 -11.656 -0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.983 -12.399 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.752 -12.291 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.608 -14.919 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.258 -14.613 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.242 -13.766 2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.217 -15.488 2.573 1.00 0.00 H new ATOM 0 HE ARG A 71 13.971 -14.963 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.923 -16.161 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.511 -15.304 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.396 -13.010 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.899 -13.535 6.057 1.00 0.00 H new ATOM 938 N ALA A 72 12.358 -13.573 -2.111 1.00 0.00 N ATOM 939 CA ALA A 72 12.672 -14.507 -3.229 1.00 0.00 C ATOM 940 C ALA A 72 11.564 -14.483 -4.284 1.00 0.00 C ATOM 941 O ALA A 72 11.597 -13.697 -5.210 1.00 0.00 O ATOM 942 CB ALA A 72 12.767 -15.886 -2.575 1.00 0.00 C ATOM 0 H ALA A 72 13.098 -12.910 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 72 13.593 -14.233 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.997 -16.634 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.556 -15.878 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.816 -16.130 -2.101 1.00 0.00 H new ATOM 948 N GLU A 73 10.591 -15.344 -4.165 1.00 0.00 N ATOM 949 CA GLU A 73 9.499 -15.371 -5.177 1.00 0.00 C ATOM 950 C GLU A 73 8.161 -15.749 -4.533 1.00 0.00 C ATOM 951 O GLU A 73 7.354 -16.437 -5.125 1.00 0.00 O ATOM 952 CB GLU A 73 9.942 -16.434 -6.184 1.00 0.00 C ATOM 953 CG GLU A 73 9.645 -17.833 -5.634 1.00 0.00 C ATOM 954 CD GLU A 73 8.511 -18.470 -6.439 1.00 0.00 C ATOM 955 OE1 GLU A 73 8.736 -18.778 -7.598 1.00 0.00 O ATOM 956 OE2 GLU A 73 7.439 -18.641 -5.884 1.00 0.00 O ATOM 0 H GLU A 73 10.505 -16.028 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 73 9.341 -14.398 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.422 -16.289 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.008 -16.333 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.539 -18.454 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.367 -17.770 -4.582 1.00 0.00 H new ATOM 963 N ASP A 74 7.915 -15.306 -3.333 1.00 0.00 N ATOM 964 CA ASP A 74 6.623 -15.645 -2.673 1.00 0.00 C ATOM 965 C ASP A 74 5.464 -15.114 -3.504 1.00 0.00 C ATOM 966 O ASP A 74 5.639 -14.459 -4.512 1.00 0.00 O ATOM 967 CB ASP A 74 6.686 -14.975 -1.291 1.00 0.00 C ATOM 968 CG ASP A 74 5.310 -14.456 -0.852 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.840 -13.501 -1.450 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.753 -15.021 0.075 1.00 0.00 O ATOM 0 H ASP A 74 8.548 -14.727 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 74 6.467 -16.720 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.058 -15.689 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.396 -14.148 -1.319 1.00 0.00 H new ATOM 975 N ALA A 75 4.284 -15.402 -3.072 1.00 0.00 N ATOM 976 CA ALA A 75 3.076 -14.930 -3.809 1.00 0.00 C ATOM 977 C ALA A 75 2.580 -13.611 -3.218 1.00 0.00 C ATOM 978 O ALA A 75 2.546 -13.430 -2.017 1.00 0.00 O ATOM 979 CB ALA A 75 2.029 -16.025 -3.619 1.00 0.00 C ATOM 0 H ALA A 75 4.091 -15.949 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 75 3.286 -14.751 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.111 -15.745 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.404 -16.963 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.823 -16.151 -2.556 1.00 0.00 H new ATOM 985 N LEU A 76 2.195 -12.690 -4.054 1.00 0.00 N ATOM 986 CA LEU A 76 1.702 -11.382 -3.540 1.00 0.00 C ATOM 987 C LEU A 76 0.966 -10.616 -4.638 1.00 0.00 C ATOM 988 O LEU A 76 1.237 -10.767 -5.813 1.00 0.00 O ATOM 989 CB LEU A 76 2.957 -10.622 -3.114 1.00 0.00 C ATOM 990 CG LEU A 76 2.586 -9.199 -2.695 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.938 -9.225 -1.308 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.853 -8.341 -2.645 1.00 0.00 C ATOM 0 H LEU A 76 2.200 -12.785 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 76 0.999 -11.508 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.443 -11.139 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.672 -10.594 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 76 1.884 -8.779 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.674 -8.210 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.038 -9.840 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.640 -9.644 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.593 -7.325 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.551 -8.764 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.319 -8.322 -3.630 1.00 0.00 H new ATOM 1004 N PHE A 77 0.040 -9.789 -4.254 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.724 -8.991 -5.255 1.00 0.00 C ATOM 1006 C PHE A 77 -1.331 -7.759 -4.580 1.00 0.00 C ATOM 1007 O PHE A 77 -2.109 -7.872 -3.655 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.826 -9.923 -5.751 1.00 0.00 C ATOM 1009 CG PHE A 77 -1.221 -11.005 -6.613 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.983 -10.767 -7.971 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.897 -12.247 -6.052 1.00 0.00 C ATOM 1012 CE1 PHE A 77 -0.421 -11.770 -8.770 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.334 -13.249 -6.851 1.00 0.00 C ATOM 1014 CZ PHE A 77 -0.096 -13.011 -8.210 1.00 0.00 C ATOM 0 H PHE A 77 -0.225 -9.628 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.095 -8.637 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.349 -10.368 -4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.564 -9.359 -6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.233 -9.809 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.081 -12.431 -5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.238 -11.586 -9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.083 -14.206 -6.419 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.338 -13.785 -8.826 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.978 -6.585 -5.026 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.533 -5.351 -4.393 1.00 0.00 C ATOM 1026 C PHE A 78 -2.824 -4.915 -5.089 1.00 0.00 C ATOM 1027 O PHE A 78 -2.851 -4.679 -6.281 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.462 -4.276 -4.585 1.00 0.00 C ATOM 1029 CG PHE A 78 0.688 -4.501 -3.631 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.452 -4.910 -2.313 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.996 -4.295 -4.071 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.530 -5.113 -1.439 1.00 0.00 C ATOM 1033 CE2 PHE A 78 3.068 -4.497 -3.200 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.840 -4.906 -1.888 1.00 0.00 C ATOM 0 H PHE A 78 -0.332 -6.425 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.771 -5.520 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.099 -4.295 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.894 -3.289 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.559 -5.069 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.179 -3.979 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.350 -5.428 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.079 -4.335 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.672 -5.063 -1.218 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.887 -4.782 -4.347 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.169 -4.333 -4.956 1.00 0.00 C ATOM 1046 C PHE A 79 -5.559 -2.977 -4.370 1.00 0.00 C ATOM 1047 O PHE A 79 -5.614 -2.798 -3.167 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.199 -5.390 -4.573 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.725 -6.750 -5.027 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -4.919 -7.530 -4.189 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -6.095 -7.233 -6.289 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -4.483 -8.792 -4.613 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -5.659 -8.494 -6.712 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.853 -9.273 -5.874 1.00 0.00 C ATOM 0 H PHE A 79 -3.923 -4.965 -3.344 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.097 -4.222 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.351 -5.389 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.160 -5.158 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.633 -7.159 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.717 -6.632 -6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.861 -9.394 -3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.945 -8.866 -7.685 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.516 -10.246 -6.201 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.820 -2.022 -5.211 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.201 -0.670 -4.714 1.00 0.00 C ATOM 1066 C VAL A 80 -7.581 -0.286 -5.251 1.00 0.00 C ATOM 1067 O VAL A 80 -7.801 -0.240 -6.443 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.130 0.279 -5.257 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.141 1.572 -4.442 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.752 -0.378 -5.144 1.00 0.00 C ATOM 0 H VAL A 80 -5.787 -2.117 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.257 -0.632 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.340 0.500 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.379 2.251 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.120 2.044 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.931 1.345 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.992 0.301 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.540 -0.601 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.741 -1.302 -5.721 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.514 -0.007 -4.383 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.876 0.371 -4.856 1.00 0.00 C ATOM 1082 C ASN A 81 -10.356 -0.617 -5.924 1.00 0.00 C ATOM 1083 O ASN A 81 -10.849 -0.228 -6.964 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.714 1.768 -5.453 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.016 2.551 -5.281 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.117 3.402 -4.420 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -12.025 2.297 -6.070 1.00 0.00 N ATOM 0 H ASN A 81 -8.393 -0.024 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.613 0.354 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.894 2.292 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.458 1.696 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.898 2.813 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.940 1.582 -6.793 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.216 -1.890 -5.674 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.665 -2.904 -6.672 1.00 0.00 C ATOM 1096 C ASN A 82 -9.966 -2.679 -8.017 1.00 0.00 C ATOM 1097 O ASN A 82 -10.549 -2.859 -9.067 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.172 -2.685 -6.809 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.844 -2.891 -5.450 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -13.021 -1.952 -4.699 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.229 -4.087 -5.101 1.00 0.00 N ATOM 0 H ASN A 82 -9.809 -2.273 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.425 -3.920 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.372 -1.678 -7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.586 -3.379 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.679 -4.235 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.080 -4.875 -5.732 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.720 -2.289 -7.994 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.985 -2.056 -9.273 1.00 0.00 C ATOM 1110 C VAL A 83 -6.589 -2.682 -9.190 1.00 0.00 C ATOM 1111 O VAL A 83 -6.134 -3.055 -8.127 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.883 -0.534 -9.416 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.616 -0.172 -10.879 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.192 0.122 -8.969 1.00 0.00 C ATOM 0 H VAL A 83 -8.179 -2.121 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.492 -2.504 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.065 -0.175 -8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.544 0.911 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.681 -0.629 -11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.433 -0.540 -11.500 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.111 1.204 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.012 -0.242 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.387 -0.128 -7.926 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.904 -2.781 -10.300 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.536 -3.382 -10.297 1.00 0.00 C ATOM 1126 C ILE A 84 -3.736 -2.841 -11.488 1.00 0.00 C ATOM 1127 O ILE A 84 -3.514 -3.540 -12.457 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.734 -4.893 -10.486 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.958 -5.395 -9.712 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.493 -5.633 -9.985 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.232 -5.078 -10.498 1.00 0.00 C ATOM 0 H ILE A 84 -6.235 -2.470 -11.213 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.002 -3.148 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.892 -5.085 -11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.880 -6.469 -9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.998 -4.923 -8.730 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.631 -6.706 -10.118 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.621 -5.306 -10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.341 -5.415 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.100 -5.437 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.313 -4.000 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.192 -5.571 -11.469 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.332 -1.606 -11.369 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.549 -0.952 -12.445 1.00 0.00 C ATOM 1145 C PRO A 85 -1.108 -1.472 -12.461 1.00 0.00 C ATOM 1146 O PRO A 85 -0.660 -2.095 -11.521 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.586 0.526 -12.064 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.808 0.542 -10.585 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.568 -0.711 -10.232 1.00 0.00 C ATOM 0 HA PRO A 85 -2.949 -1.145 -13.440 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.653 1.025 -12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.386 1.048 -12.588 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.857 0.577 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.370 1.428 -10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.207 -1.147 -9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.631 -0.508 -10.098 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.430 -1.189 -13.540 1.00 0.00 N ATOM 1158 CA PRO A 86 0.981 -1.623 -13.697 1.00 0.00 C ATOM 1159 C PRO A 86 1.900 -0.781 -12.812 1.00 0.00 C ATOM 1160 O PRO A 86 1.458 0.092 -12.090 1.00 0.00 O ATOM 1161 CB PRO A 86 1.269 -1.369 -15.174 1.00 0.00 C ATOM 1162 CG PRO A 86 0.307 -0.298 -15.580 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.912 -0.442 -14.707 1.00 0.00 C ATOM 0 HA PRO A 86 1.146 -2.660 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.300 -1.051 -15.325 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.125 -2.273 -15.765 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.754 0.688 -15.457 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.041 -0.398 -16.632 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.314 0.530 -14.420 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.710 -0.978 -15.222 1.00 0.00 H new ATOM 1171 N THR A 87 3.178 -1.034 -12.862 1.00 0.00 N ATOM 1172 CA THR A 87 4.129 -0.246 -12.021 1.00 0.00 C ATOM 1173 C THR A 87 4.544 1.040 -12.739 1.00 0.00 C ATOM 1174 O THR A 87 5.553 1.641 -12.430 1.00 0.00 O ATOM 1175 CB THR A 87 5.343 -1.148 -11.816 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.503 -1.999 -12.942 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.154 -1.990 -10.555 1.00 0.00 C ATOM 0 H THR A 87 3.607 -1.751 -13.447 1.00 0.00 H new ATOM 0 HA THR A 87 3.675 0.047 -11.074 1.00 0.00 H new ATOM 0 HB THR A 87 6.234 -0.530 -11.704 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.284 -2.575 -12.808 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.023 -2.632 -10.413 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.043 -1.333 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.261 -2.606 -10.659 1.00 0.00 H new ATOM 1185 N SER A 88 3.767 1.463 -13.686 1.00 0.00 N ATOM 1186 CA SER A 88 4.098 2.713 -14.429 1.00 0.00 C ATOM 1187 C SER A 88 3.343 3.891 -13.810 1.00 0.00 C ATOM 1188 O SER A 88 2.816 4.740 -14.502 1.00 0.00 O ATOM 1189 CB SER A 88 3.625 2.463 -15.860 1.00 0.00 C ATOM 1190 OG SER A 88 4.215 3.425 -16.725 1.00 0.00 O ATOM 0 H SER A 88 2.910 0.998 -13.984 1.00 0.00 H new ATOM 0 HA SER A 88 5.161 2.953 -14.394 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.900 1.456 -16.175 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.538 2.528 -15.913 1.00 0.00 H new ATOM 0 HG SER A 88 3.998 4.327 -16.408 1.00 0.00 H new ATOM 1196 N ALA A 89 3.284 3.940 -12.509 1.00 0.00 N ATOM 1197 CA ALA A 89 2.559 5.053 -11.831 1.00 0.00 C ATOM 1198 C ALA A 89 3.257 5.421 -10.525 1.00 0.00 C ATOM 1199 O ALA A 89 4.309 4.909 -10.199 1.00 0.00 O ATOM 1200 CB ALA A 89 1.162 4.499 -11.551 1.00 0.00 C ATOM 0 H ALA A 89 3.708 3.255 -11.883 1.00 0.00 H new ATOM 0 HA ALA A 89 2.528 5.957 -12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.562 5.260 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.686 4.221 -12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.241 3.620 -10.911 1.00 0.00 H new ATOM 1206 N THR A 90 2.674 6.313 -9.781 1.00 0.00 N ATOM 1207 CA THR A 90 3.292 6.733 -8.491 1.00 0.00 C ATOM 1208 C THR A 90 2.215 6.894 -7.416 1.00 0.00 C ATOM 1209 O THR A 90 1.146 7.419 -7.659 1.00 0.00 O ATOM 1210 CB THR A 90 3.954 8.079 -8.788 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.961 9.014 -9.187 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.981 7.913 -9.908 1.00 0.00 C ATOM 0 H THR A 90 1.793 6.773 -10.009 1.00 0.00 H new ATOM 0 HA THR A 90 4.007 5.999 -8.119 1.00 0.00 H new ATOM 0 HB THR A 90 4.457 8.441 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.383 9.878 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.450 8.874 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.743 7.197 -9.600 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.483 7.550 -10.807 1.00 0.00 H new ATOM 1220 N MET A 91 2.485 6.444 -6.224 1.00 0.00 N ATOM 1221 CA MET A 91 1.470 6.571 -5.144 1.00 0.00 C ATOM 1222 C MET A 91 0.877 7.981 -5.152 1.00 0.00 C ATOM 1223 O MET A 91 -0.307 8.171 -4.946 1.00 0.00 O ATOM 1224 CB MET A 91 2.226 6.309 -3.840 1.00 0.00 C ATOM 1225 CG MET A 91 2.572 4.823 -3.746 1.00 0.00 C ATOM 1226 SD MET A 91 1.315 3.974 -2.759 1.00 0.00 S ATOM 1227 CE MET A 91 2.376 3.552 -1.357 1.00 0.00 C ATOM 0 H MET A 91 3.360 5.996 -5.952 1.00 0.00 H new ATOM 0 HA MET A 91 0.642 5.873 -5.271 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.136 6.909 -3.807 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.617 6.607 -2.987 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.623 4.386 -4.743 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.554 4.695 -3.292 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.992 2.657 -0.867 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.390 3.365 -1.711 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.386 4.379 -0.647 1.00 0.00 H new ATOM 1237 N GLY A 92 1.692 8.970 -5.385 1.00 0.00 N ATOM 1238 CA GLY A 92 1.179 10.369 -5.403 1.00 0.00 C ATOM 1239 C GLY A 92 -0.054 10.473 -6.296 1.00 0.00 C ATOM 1240 O GLY A 92 -1.086 10.968 -5.889 1.00 0.00 O ATOM 0 H GLY A 92 2.691 8.871 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.930 10.684 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.956 11.043 -5.765 1.00 0.00 H new ATOM 1244 N GLN A 93 0.042 10.026 -7.514 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.133 10.120 -8.425 1.00 0.00 C ATOM 1246 C GLN A 93 -2.276 9.261 -7.893 1.00 0.00 C ATOM 1247 O GLN A 93 -3.435 9.531 -8.139 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.637 9.619 -9.789 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.596 8.086 -9.841 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.877 7.622 -11.271 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -0.374 8.193 -12.218 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -1.665 6.601 -11.469 1.00 0.00 N ATOM 0 H GLN A 93 0.877 9.602 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.520 11.136 -8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.291 9.994 -10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.358 10.018 -9.985 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.379 7.725 -9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.336 7.667 -9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.088 6.121 -10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.858 6.283 -12.419 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.964 8.232 -7.157 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.046 7.371 -6.609 1.00 0.00 C ATOM 1263 C LEU A 94 -3.844 8.143 -5.556 1.00 0.00 C ATOM 1264 O LEU A 94 -4.994 7.861 -5.306 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.324 6.158 -6.003 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.313 6.224 -4.470 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.621 5.650 -3.929 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.136 5.410 -3.939 1.00 0.00 C ATOM 0 H LEU A 94 -1.014 7.952 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.764 7.059 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.816 5.241 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.300 6.119 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.212 7.260 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.616 5.696 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.460 6.231 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.723 4.613 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.125 5.454 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.237 4.373 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.204 5.821 -4.329 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.243 9.109 -4.928 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.989 9.867 -3.892 1.00 0.00 C ATOM 1282 C TYR A 95 -5.340 10.320 -4.456 1.00 0.00 C ATOM 1283 O TYR A 95 -6.381 10.028 -3.906 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.099 11.063 -3.552 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.161 11.320 -2.068 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.846 10.295 -1.171 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.536 12.581 -1.588 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.905 10.529 0.208 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.595 12.816 -0.210 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.279 11.789 0.688 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.339 12.021 2.048 1.00 0.00 O ATOM 0 H TYR A 95 -2.279 9.404 -5.084 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.202 9.270 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.071 10.865 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.430 11.945 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.557 9.323 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.780 13.372 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.662 9.737 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.884 13.788 0.161 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.076 11.504 2.436 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.336 11.022 -5.554 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.625 11.476 -6.149 1.00 0.00 C ATOM 1303 C GLN A 96 -7.416 10.290 -6.716 1.00 0.00 C ATOM 1304 O GLN A 96 -8.600 10.390 -6.975 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.224 12.433 -7.272 1.00 0.00 C ATOM 1306 CG GLN A 96 -5.809 13.779 -6.674 1.00 0.00 C ATOM 1307 CD GLN A 96 -6.649 14.895 -7.296 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -7.449 14.650 -8.178 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -6.501 16.121 -6.872 1.00 0.00 N ATOM 0 H GLN A 96 -4.498 11.301 -6.065 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.268 11.951 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.401 12.010 -7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.057 12.571 -7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.946 13.766 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.750 13.960 -6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.830 16.327 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.056 16.873 -7.281 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.767 9.181 -6.951 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.478 8.006 -7.546 1.00 0.00 C ATOM 1320 C GLU A 97 -8.120 7.090 -6.490 1.00 0.00 C ATOM 1321 O GLU A 97 -9.327 6.964 -6.428 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.400 7.250 -8.324 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.432 7.682 -9.791 1.00 0.00 C ATOM 1324 CD GLU A 97 -5.722 6.634 -10.649 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -5.037 5.799 -10.081 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -5.875 6.684 -11.858 1.00 0.00 O ATOM 0 H GLU A 97 -5.776 9.035 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.307 8.337 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.418 7.452 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.567 6.176 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.463 7.801 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.946 8.651 -9.906 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.334 6.400 -5.701 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.912 5.450 -4.715 1.00 0.00 C ATOM 1335 C HIS A 98 -7.989 6.036 -3.300 1.00 0.00 C ATOM 1336 O HIS A 98 -7.784 5.339 -2.321 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.938 4.282 -4.753 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.835 3.772 -6.160 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.884 3.860 -7.060 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.809 3.171 -6.837 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.468 3.323 -8.222 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.208 2.887 -8.140 1.00 0.00 N ATOM 0 H HIS A 98 -6.316 6.457 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.940 5.184 -4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.958 4.598 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.278 3.487 -4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.836 2.950 -6.423 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.078 3.253 -9.111 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.657 2.442 -8.874 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.305 7.293 -3.174 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.420 7.883 -1.803 1.00 0.00 C ATOM 1352 C HIS A 99 -9.803 7.570 -1.215 1.00 0.00 C ATOM 1353 O HIS A 99 -10.704 7.150 -1.913 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.220 9.401 -1.948 1.00 0.00 C ATOM 1355 CG HIS A 99 -8.944 9.941 -3.158 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -10.038 9.309 -3.729 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -8.739 11.075 -3.905 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -10.444 10.057 -4.770 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -9.686 11.146 -4.923 1.00 0.00 N ATOM 0 H HIS A 99 -8.487 7.934 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.673 7.464 -1.128 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.582 9.904 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.156 9.623 -2.030 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.459 8.434 -3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.960 11.802 -3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.281 9.808 -5.405 1.00 0.00 H new ATOM 1367 N GLU A 100 -9.980 7.761 0.067 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.309 7.468 0.689 1.00 0.00 C ATOM 1369 C GLU A 100 -11.204 7.516 2.216 1.00 0.00 C ATOM 1370 O GLU A 100 -10.152 7.294 2.783 1.00 0.00 O ATOM 1371 CB GLU A 100 -11.680 6.055 0.228 1.00 0.00 C ATOM 1372 CG GLU A 100 -10.439 5.159 0.238 1.00 0.00 C ATOM 1373 CD GLU A 100 -10.848 3.722 0.567 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -11.015 3.428 1.739 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -10.988 2.940 -0.359 1.00 0.00 O ATOM 0 H GLU A 100 -9.266 8.106 0.709 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.061 8.200 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.445 5.639 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.105 6.091 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.945 5.194 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.722 5.522 0.974 1.00 0.00 H new ATOM 1382 N GLU A 101 -12.288 7.800 2.884 1.00 0.00 N ATOM 1383 CA GLU A 101 -12.256 7.860 4.374 1.00 0.00 C ATOM 1384 C GLU A 101 -11.226 8.892 4.840 1.00 0.00 C ATOM 1385 O GLU A 101 -10.045 8.761 4.591 1.00 0.00 O ATOM 1386 CB GLU A 101 -11.849 6.454 4.816 1.00 0.00 C ATOM 1387 CG GLU A 101 -13.089 5.681 5.266 1.00 0.00 C ATOM 1388 CD GLU A 101 -12.795 4.180 5.234 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -11.963 3.777 4.439 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -13.408 3.460 6.006 1.00 0.00 O ATOM 0 H GLU A 101 -13.196 7.994 2.462 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.215 8.158 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.360 5.931 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.128 6.512 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.374 5.985 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.931 5.911 4.613 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.666 9.918 5.517 1.00 0.00 N ATOM 1398 CA ASP A 102 -10.704 10.957 5.997 1.00 0.00 C ATOM 1399 C ASP A 102 -9.908 11.522 4.811 1.00 0.00 C ATOM 1400 O ASP A 102 -10.476 12.033 3.866 1.00 0.00 O ATOM 1401 CB ASP A 102 -9.790 10.219 6.977 1.00 0.00 C ATOM 1402 CG ASP A 102 -10.596 9.795 8.206 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -11.364 10.607 8.695 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -10.431 8.666 8.639 1.00 0.00 O ATOM 0 H ASP A 102 -12.643 10.083 5.758 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.199 11.805 6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.354 9.344 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.963 10.864 7.276 1.00 0.00 H new ATOM 1409 N PHE A 103 -8.603 11.443 4.845 1.00 0.00 N ATOM 1410 CA PHE A 103 -7.798 11.987 3.710 1.00 0.00 C ATOM 1411 C PHE A 103 -6.660 11.022 3.369 1.00 0.00 C ATOM 1412 O PHE A 103 -5.586 11.430 2.974 1.00 0.00 O ATOM 1413 CB PHE A 103 -7.221 13.331 4.195 1.00 0.00 C ATOM 1414 CG PHE A 103 -8.073 13.916 5.301 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -8.031 13.357 6.585 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -8.899 15.017 5.043 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -8.817 13.897 7.609 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -9.684 15.557 6.069 1.00 0.00 C ATOM 1419 CZ PHE A 103 -9.643 14.997 7.352 1.00 0.00 C ATOM 0 H PHE A 103 -8.062 11.028 5.604 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.407 12.116 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.202 13.186 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.169 14.031 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.392 12.509 6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.931 15.449 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.786 13.465 8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.322 16.406 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.249 15.414 8.143 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.884 9.746 3.523 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.807 8.760 3.213 1.00 0.00 C ATOM 1431 C PHE A 104 -6.237 7.840 2.067 1.00 0.00 C ATOM 1432 O PHE A 104 -7.386 7.814 1.673 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.617 7.948 4.499 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.698 8.857 5.704 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.619 9.685 6.031 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -6.855 8.870 6.492 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.694 10.526 7.147 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -6.931 9.711 7.607 1.00 0.00 C ATOM 1439 CZ PHE A 104 -5.850 10.540 7.935 1.00 0.00 C ATOM 0 H PHE A 104 -7.763 9.343 3.849 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.886 9.253 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.381 7.174 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.652 7.442 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.727 9.675 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.688 8.231 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.860 11.164 7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.823 9.721 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.909 11.190 8.796 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.321 7.074 1.541 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.673 6.139 0.428 1.00 0.00 C ATOM 1451 C LEU A 105 -5.810 4.714 0.986 1.00 0.00 C ATOM 1452 O LEU A 105 -5.398 4.446 2.092 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.510 6.258 -0.577 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.456 5.174 -0.321 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -3.736 3.971 -1.220 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.067 5.732 -0.634 1.00 0.00 C ATOM 0 H LEU A 105 -4.344 7.053 1.832 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.622 6.376 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.892 6.168 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.052 7.244 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.497 4.865 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.987 3.200 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.727 3.574 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.694 4.280 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.316 4.963 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.026 6.040 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.868 6.592 0.006 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.392 3.801 0.248 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.542 2.414 0.788 1.00 0.00 C ATOM 1470 C TYR A 106 -5.883 1.381 -0.143 1.00 0.00 C ATOM 1471 O TYR A 106 -6.208 1.282 -1.309 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.064 2.201 0.881 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.409 0.741 0.687 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.455 0.205 -0.604 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.678 -0.072 1.794 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.771 -1.146 -0.790 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -8.995 -1.423 1.608 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.042 -1.961 0.316 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.354 -3.292 0.133 1.00 0.00 O ATOM 0 H TYR A 106 -6.764 3.952 -0.690 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.052 2.289 1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.426 2.540 1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.568 2.803 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.247 0.833 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.641 0.342 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.806 -1.560 -1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.203 -2.051 2.462 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.513 -3.714 1.003 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.969 0.598 0.376 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.300 -0.443 -0.462 1.00 0.00 C ATOM 1491 C ILE A 107 -4.076 -1.716 0.369 1.00 0.00 C ATOM 1492 O ILE A 107 -3.851 -1.656 1.561 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.963 0.176 -0.886 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.179 1.052 -2.121 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -1.958 -0.929 -1.229 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.887 1.801 -2.447 1.00 0.00 C ATOM 0 H ILE A 107 -4.657 0.636 1.346 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.898 -0.728 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.574 0.777 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.479 0.436 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.987 1.761 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.011 -0.480 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.799 -1.560 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.348 -1.534 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.041 2.425 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.607 2.429 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.091 1.084 -2.646 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.127 -2.866 -0.253 1.00 0.00 N ATOM 1509 CA ALA A 108 -3.908 -4.133 0.511 1.00 0.00 C ATOM 1510 C ALA A 108 -3.223 -5.172 -0.377 1.00 0.00 C ATOM 1511 O ALA A 108 -2.924 -4.915 -1.524 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.306 -4.603 0.912 1.00 0.00 C ATOM 0 H ALA A 108 -4.309 -2.983 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.266 -3.986 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.229 -5.531 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.783 -3.841 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.904 -4.773 0.016 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.965 -6.348 0.139 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.296 -7.380 -0.709 1.00 0.00 C ATOM 1520 C TYR A 109 -2.872 -8.771 -0.453 1.00 0.00 C ATOM 1521 O TYR A 109 -3.515 -9.025 0.545 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.800 -7.356 -0.360 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.568 -6.975 1.086 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.840 -5.672 1.520 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.058 -7.919 1.988 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.605 -5.315 2.850 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.175 -7.560 3.318 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.099 -6.257 3.749 1.00 0.00 C ATOM 1529 OH TYR A 109 0.134 -5.901 5.060 1.00 0.00 O ATOM 0 H TYR A 109 -3.184 -6.634 1.093 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.459 -7.156 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.366 -8.337 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.286 -6.648 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.232 -4.943 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.155 -8.924 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.815 -4.309 3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.566 -8.288 4.013 1.00 0.00 H new ATOM 0 HH TYR A 109 0.618 -5.049 5.087 1.00 0.00 H new ATOM 1539 N SER A 110 -2.631 -9.672 -1.365 1.00 0.00 N ATOM 1540 CA SER A 110 -3.139 -11.063 -1.215 1.00 0.00 C ATOM 1541 C SER A 110 -2.156 -12.036 -1.870 1.00 0.00 C ATOM 1542 O SER A 110 -1.119 -11.638 -2.372 1.00 0.00 O ATOM 1543 CB SER A 110 -4.478 -11.076 -1.950 1.00 0.00 C ATOM 1544 OG SER A 110 -5.226 -12.215 -1.542 1.00 0.00 O ATOM 0 H SER A 110 -2.097 -9.501 -2.217 1.00 0.00 H new ATOM 0 HA SER A 110 -3.249 -11.363 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.034 -10.164 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.315 -11.101 -3.027 1.00 0.00 H new ATOM 0 HG SER A 110 -6.087 -12.226 -2.010 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.466 -13.303 -1.871 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.543 -14.296 -2.494 1.00 0.00 C ATOM 1552 C ASP A 111 -2.217 -14.981 -3.688 1.00 0.00 C ATOM 1553 O ASP A 111 -1.928 -16.118 -4.002 1.00 0.00 O ATOM 1554 CB ASP A 111 -1.253 -15.311 -1.388 1.00 0.00 C ATOM 1555 CG ASP A 111 -2.570 -15.788 -0.775 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -3.034 -15.147 0.154 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -3.092 -16.785 -1.244 1.00 0.00 O ATOM 0 H ASP A 111 -3.317 -13.694 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.633 -13.830 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.700 -16.159 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.625 -14.859 -0.620 1.00 0.00 H new ATOM 1562 N GLU A 112 -3.106 -14.297 -4.357 1.00 0.00 N ATOM 1563 CA GLU A 112 -3.790 -14.912 -5.535 1.00 0.00 C ATOM 1564 C GLU A 112 -4.765 -13.917 -6.169 1.00 0.00 C ATOM 1565 O GLU A 112 -5.179 -12.957 -5.551 1.00 0.00 O ATOM 1566 CB GLU A 112 -4.547 -16.126 -4.986 1.00 0.00 C ATOM 1567 CG GLU A 112 -5.698 -15.666 -4.086 1.00 0.00 C ATOM 1568 CD GLU A 112 -6.777 -16.749 -4.048 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -6.540 -17.773 -3.428 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -7.824 -16.536 -4.640 1.00 0.00 O ATOM 0 H GLU A 112 -3.389 -13.341 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.078 -15.197 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.936 -16.725 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.867 -16.764 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.330 -15.468 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.117 -14.733 -4.461 1.00 0.00 H new ATOM 1577 N SER A 113 -5.135 -14.145 -7.399 1.00 0.00 N ATOM 1578 CA SER A 113 -6.087 -13.220 -8.078 1.00 0.00 C ATOM 1579 C SER A 113 -6.742 -13.922 -9.271 1.00 0.00 C ATOM 1580 O SER A 113 -7.018 -13.314 -10.287 1.00 0.00 O ATOM 1581 CB SER A 113 -5.230 -12.047 -8.552 1.00 0.00 C ATOM 1582 OG SER A 113 -6.076 -11.023 -9.059 1.00 0.00 O ATOM 0 H SER A 113 -4.819 -14.933 -7.964 1.00 0.00 H new ATOM 0 HA SER A 113 -6.891 -12.896 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.629 -11.664 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.536 -12.377 -9.325 1.00 0.00 H new ATOM 0 HG SER A 113 -6.685 -11.402 -9.727 1.00 0.00 H new ATOM 1588 N VAL A 114 -6.992 -15.198 -9.158 1.00 0.00 N ATOM 1589 CA VAL A 114 -7.627 -15.935 -10.288 1.00 0.00 C ATOM 1590 C VAL A 114 -8.847 -15.165 -10.803 1.00 0.00 C ATOM 1591 O VAL A 114 -9.294 -14.212 -10.195 1.00 0.00 O ATOM 1592 CB VAL A 114 -8.053 -17.279 -9.697 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -9.243 -17.071 -8.759 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -8.456 -18.228 -10.829 1.00 0.00 C ATOM 0 H VAL A 114 -6.784 -15.762 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 114 -6.949 -16.058 -11.132 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.222 -17.710 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.546 -18.030 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.957 -16.395 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.075 -16.640 -9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -8.760 -19.187 -10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.287 -17.796 -11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.608 -18.377 -11.498 1.00 0.00 H new ATOM 1604 N TYR A 115 -9.387 -15.570 -11.920 1.00 0.00 N ATOM 1605 CA TYR A 115 -10.575 -14.861 -12.474 1.00 0.00 C ATOM 1606 C TYR A 115 -11.710 -14.850 -11.445 1.00 0.00 C ATOM 1607 O TYR A 115 -12.508 -15.763 -11.378 1.00 0.00 O ATOM 1608 CB TYR A 115 -10.978 -15.670 -13.707 1.00 0.00 C ATOM 1609 CG TYR A 115 -12.242 -15.091 -14.298 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -12.165 -14.064 -15.246 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -13.490 -15.581 -13.897 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -13.336 -13.528 -15.794 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -14.662 -15.045 -14.445 1.00 0.00 C ATOM 1614 CZ TYR A 115 -14.585 -14.018 -15.393 1.00 0.00 C ATOM 1615 OH TYR A 115 -15.740 -13.489 -15.932 1.00 0.00 O ATOM 0 H TYR A 115 -9.057 -16.361 -12.473 1.00 0.00 H new ATOM 0 HA TYR A 115 -10.359 -13.821 -12.721 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.177 -15.651 -14.446 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.136 -16.714 -13.435 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -11.202 -13.685 -15.555 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.549 -16.373 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -13.276 -12.736 -16.526 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -15.625 -15.424 -14.136 1.00 0.00 H new ATOM 0 HH TYR A 115 -16.518 -13.943 -15.546 1.00 0.00 H new ATOM 1625 N GLY A 116 -11.786 -13.822 -10.644 1.00 0.00 N ATOM 1626 CA GLY A 116 -12.869 -13.755 -9.621 1.00 0.00 C ATOM 1627 C GLY A 116 -13.484 -12.355 -9.615 1.00 0.00 C ATOM 1628 O GLY A 116 -13.493 -11.666 -10.616 1.00 0.00 O ATOM 0 H GLY A 116 -11.147 -13.027 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -13.635 -14.499 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -12.467 -13.991 -8.636 1.00 0.00 H new ATOM 1632 N LEU A 117 -14.000 -11.928 -8.494 1.00 0.00 N ATOM 1633 CA LEU A 117 -14.616 -10.572 -8.425 1.00 0.00 C ATOM 1634 C LEU A 117 -13.613 -9.562 -7.859 1.00 0.00 C ATOM 1635 O LEU A 117 -12.673 -9.991 -7.210 1.00 0.00 O ATOM 1636 CB LEU A 117 -15.810 -10.727 -7.482 1.00 0.00 C ATOM 1637 CG LEU A 117 -15.344 -11.343 -6.163 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -16.005 -10.611 -4.995 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -15.740 -12.822 -6.124 1.00 0.00 C ATOM 1640 OXT LEU A 117 -13.802 -8.378 -8.085 1.00 0.00 O ATOM 0 H LEU A 117 -14.022 -12.459 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.916 -10.205 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.270 -9.756 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.570 -11.359 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 117 -14.261 -11.252 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.672 -11.051 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -15.727 -9.558 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.088 -10.702 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.408 -13.263 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -16.823 -12.911 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.270 -13.346 -6.956 1.00 0.00 H new TER 1652 LEU A 117