USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= -0.604 K(o=-2.4,f=-6.3!) USER MOD Set 1.2: A 36 GLN : amide:sc= -1.83 K(o=-2.4,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 16:sc= 0.0109 USER MOD Single : A 15 THR OG1 : rot -126:sc= -0.291 USER MOD Single : A 18 GLN : amide:sc= -2.6 K(o=-2.6,f=-0.32) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot -5:sc= -1.32 USER MOD Single : A 30 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.43) USER MOD Single : A 31 SER OG : rot 180:sc= -0.948 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.083) USER MOD Single : A 40 MET CE :methyl -119:sc= -3.9 (180deg=-7.2!) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 0.0832 (180deg=-0.945) USER MOD Single : A 44 SER OG : rot -59:sc= 0.0231 USER MOD Single : A 48 GLN : amide:sc= -1.97 K(o=-2,f=-0.7) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0017 (180deg=-0.12) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 57 ASN : amide:sc=-0.00886 X(o=-0.0089,f=-0.19) USER MOD Single : A 58 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.074) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.904 8.742 -9.445 1.00 0.00 N ATOM 2 CA GLY A 1 -15.770 7.836 -9.411 1.00 0.00 C ATOM 3 C GLY A 1 -16.039 6.542 -10.153 1.00 0.00 C ATOM 4 O GLY A 1 -16.348 5.520 -9.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.670 9.611 -8.924 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.129 8.980 -10.432 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.727 8.285 -9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.902 8.329 -9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.519 7.611 -8.374 1.00 0.00 H new ATOM 8 N SER A 2 -15.924 6.585 -11.476 1.00 0.00 N ATOM 9 CA SER A 2 -16.163 5.407 -12.303 1.00 0.00 C ATOM 10 C SER A 2 -14.989 4.436 -12.217 1.00 0.00 C ATOM 11 O SER A 2 -13.838 4.848 -12.075 1.00 0.00 O ATOM 12 CB SER A 2 -16.394 5.818 -13.758 1.00 0.00 C ATOM 13 OG SER A 2 -15.171 6.140 -14.398 1.00 0.00 O ATOM 0 H SER A 2 -15.667 7.422 -11.999 1.00 0.00 H new ATOM 0 HA SER A 2 -17.055 4.905 -11.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.886 5.007 -14.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.064 6.677 -13.794 1.00 0.00 H new ATOM 0 HG SER A 2 -15.346 6.398 -15.327 1.00 0.00 H new ATOM 19 N SER A 3 -15.291 3.145 -12.303 1.00 0.00 N ATOM 20 CA SER A 3 -14.263 2.113 -12.231 1.00 0.00 C ATOM 21 C SER A 3 -14.655 0.896 -13.063 1.00 0.00 C ATOM 22 O SER A 3 -15.837 0.603 -13.236 1.00 0.00 O ATOM 23 CB SER A 3 -14.029 1.697 -10.778 1.00 0.00 C ATOM 24 OG SER A 3 -12.835 0.945 -10.648 1.00 0.00 O ATOM 0 H SER A 3 -16.239 2.788 -12.423 1.00 0.00 H new ATOM 0 HA SER A 3 -13.340 2.526 -12.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.974 2.584 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.874 1.107 -10.425 1.00 0.00 H new ATOM 0 HG SER A 3 -12.708 0.693 -9.710 1.00 0.00 H new ATOM 30 N GLY A 4 -13.652 0.190 -13.577 1.00 0.00 N ATOM 31 CA GLY A 4 -13.911 -0.987 -14.386 1.00 0.00 C ATOM 32 C GLY A 4 -12.642 -1.734 -14.746 1.00 0.00 C ATOM 33 O GLY A 4 -11.614 -1.121 -15.033 1.00 0.00 O ATOM 0 H GLY A 4 -12.665 0.412 -13.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.581 -1.655 -13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.426 -0.690 -15.300 1.00 0.00 H new ATOM 37 N SER A 5 -12.714 -3.061 -14.730 1.00 0.00 N ATOM 38 CA SER A 5 -11.560 -3.892 -15.052 1.00 0.00 C ATOM 39 C SER A 5 -11.978 -5.106 -15.877 1.00 0.00 C ATOM 40 O SER A 5 -13.163 -5.310 -16.144 1.00 0.00 O ATOM 41 CB SER A 5 -10.860 -4.349 -13.771 1.00 0.00 C ATOM 42 OG SER A 5 -9.475 -4.554 -13.992 1.00 0.00 O ATOM 0 H SER A 5 -13.559 -3.583 -14.498 1.00 0.00 H new ATOM 0 HA SER A 5 -10.866 -3.294 -15.643 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.000 -3.602 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.315 -5.273 -13.414 1.00 0.00 H new ATOM 0 HG SER A 5 -9.050 -4.844 -13.158 1.00 0.00 H new ATOM 48 N SER A 6 -10.997 -5.908 -16.277 1.00 0.00 N ATOM 49 CA SER A 6 -11.262 -7.100 -17.075 1.00 0.00 C ATOM 50 C SER A 6 -10.152 -8.131 -16.895 1.00 0.00 C ATOM 51 O SER A 6 -9.035 -7.796 -16.501 1.00 0.00 O ATOM 52 CB SER A 6 -11.396 -6.731 -18.553 1.00 0.00 C ATOM 53 OG SER A 6 -11.870 -7.829 -19.312 1.00 0.00 O ATOM 0 H SER A 6 -10.012 -5.755 -16.062 1.00 0.00 H new ATOM 0 HA SER A 6 -12.200 -7.537 -16.731 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.080 -5.889 -18.660 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.429 -6.408 -18.939 1.00 0.00 H new ATOM 0 HG SER A 6 -11.949 -7.567 -20.253 1.00 0.00 H new ATOM 59 N GLY A 7 -10.468 -9.390 -17.187 1.00 0.00 N ATOM 60 CA GLY A 7 -9.489 -10.452 -17.051 1.00 0.00 C ATOM 61 C GLY A 7 -8.351 -10.321 -18.045 1.00 0.00 C ATOM 62 O GLY A 7 -8.539 -9.819 -19.153 1.00 0.00 O ATOM 0 H GLY A 7 -11.385 -9.693 -17.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.086 -10.443 -16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.980 -11.415 -17.190 1.00 0.00 H new ATOM 66 N LYS A 8 -7.167 -10.773 -17.648 1.00 0.00 N ATOM 67 CA LYS A 8 -5.993 -10.705 -18.511 1.00 0.00 C ATOM 68 C LYS A 8 -5.960 -9.390 -19.282 1.00 0.00 C ATOM 69 O LYS A 8 -5.684 -9.369 -20.482 1.00 0.00 O ATOM 70 CB LYS A 8 -5.985 -11.882 -19.489 1.00 0.00 C ATOM 71 CG LYS A 8 -4.617 -12.169 -20.083 1.00 0.00 C ATOM 72 CD LYS A 8 -4.663 -13.345 -21.045 1.00 0.00 C ATOM 73 CE LYS A 8 -5.338 -12.967 -22.355 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.423 -12.210 -23.253 1.00 0.00 N ATOM 0 H LYS A 8 -6.994 -11.191 -16.734 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.106 -10.758 -17.880 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.343 -12.774 -18.974 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.687 -11.677 -20.297 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.253 -11.284 -20.605 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.908 -12.380 -19.282 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.650 -13.694 -21.244 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.200 -14.173 -20.583 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.679 -13.870 -22.862 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.223 -12.365 -22.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.921 -11.971 -24.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.118 -11.335 -22.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.591 -12.794 -23.473 1.00 0.00 H new ATOM 88 N ARG A 9 -6.243 -8.293 -18.586 1.00 0.00 N ATOM 89 CA ARG A 9 -6.245 -6.974 -19.206 1.00 0.00 C ATOM 90 C ARG A 9 -4.845 -6.369 -19.201 1.00 0.00 C ATOM 91 O ARG A 9 -4.091 -6.493 -18.235 1.00 0.00 O ATOM 92 CB ARG A 9 -7.216 -6.045 -18.474 1.00 0.00 C ATOM 93 CG ARG A 9 -7.806 -4.960 -19.361 1.00 0.00 C ATOM 94 CD ARG A 9 -8.963 -4.249 -18.676 1.00 0.00 C ATOM 95 NE ARG A 9 -8.514 -3.095 -17.902 1.00 0.00 N ATOM 96 CZ ARG A 9 -9.323 -2.120 -17.500 1.00 0.00 C ATOM 97 NH1 ARG A 9 -10.614 -2.161 -17.797 1.00 0.00 N ATOM 98 NH2 ARG A 9 -8.840 -1.103 -16.799 1.00 0.00 N ATOM 0 H ARG A 9 -6.474 -8.292 -17.592 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.570 -7.087 -20.240 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.027 -6.639 -18.053 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.697 -5.577 -17.638 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.032 -4.236 -19.616 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.151 -5.401 -20.296 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.684 -3.924 -19.426 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.480 -4.948 -18.018 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.526 -3.034 -17.657 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.989 -2.942 -18.335 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.233 -1.411 -17.487 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.847 -1.069 -16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.461 -0.355 -16.491 1.00 0.00 H new ATOM 112 N PRO A 10 -4.486 -5.698 -20.306 1.00 0.00 N ATOM 113 CA PRO A 10 -3.175 -5.060 -20.454 1.00 0.00 C ATOM 114 C PRO A 10 -3.015 -3.845 -19.546 1.00 0.00 C ATOM 115 O PRO A 10 -3.912 -3.008 -19.451 1.00 0.00 O ATOM 116 CB PRO A 10 -3.151 -4.635 -21.924 1.00 0.00 C ATOM 117 CG PRO A 10 -4.585 -4.482 -22.298 1.00 0.00 C ATOM 118 CD PRO A 10 -5.334 -5.510 -21.495 1.00 0.00 C ATOM 0 HA PRO A 10 -2.362 -5.731 -20.177 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.605 -3.701 -22.057 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.658 -5.383 -22.544 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.942 -3.477 -22.074 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.729 -4.641 -23.367 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.331 -5.162 -21.226 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.460 -6.440 -22.050 1.00 0.00 H new ATOM 126 N ARG A 11 -1.867 -3.756 -18.882 1.00 0.00 N ATOM 127 CA ARG A 11 -1.591 -2.643 -17.981 1.00 0.00 C ATOM 128 C ARG A 11 -2.625 -2.581 -16.860 1.00 0.00 C ATOM 129 O ARG A 11 -3.265 -1.551 -16.647 1.00 0.00 O ATOM 130 CB ARG A 11 -1.582 -1.323 -18.754 1.00 0.00 C ATOM 131 CG ARG A 11 -0.772 -0.228 -18.080 1.00 0.00 C ATOM 132 CD ARG A 11 -1.277 1.154 -18.463 1.00 0.00 C ATOM 133 NE ARG A 11 -0.208 2.150 -18.450 1.00 0.00 N ATOM 134 CZ ARG A 11 -0.272 3.305 -19.103 1.00 0.00 C ATOM 135 NH1 ARG A 11 -1.347 3.608 -19.817 1.00 0.00 N ATOM 136 NH2 ARG A 11 0.741 4.160 -19.043 1.00 0.00 N ATOM 0 H ARG A 11 -1.114 -4.440 -18.951 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.608 -2.803 -17.537 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.180 -1.499 -19.752 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.608 -0.979 -18.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.824 -0.349 -16.998 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.277 -0.324 -18.361 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.724 1.114 -19.457 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.063 1.457 -17.772 1.00 0.00 H new ATOM 0 HE ARG A 11 0.633 1.947 -17.910 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.128 2.954 -19.866 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.393 4.496 -20.317 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.570 3.931 -18.495 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.691 5.047 -19.545 1.00 0.00 H new ATOM 150 N THR A 12 -2.784 -3.692 -16.147 1.00 0.00 N ATOM 151 CA THR A 12 -3.740 -3.765 -15.050 1.00 0.00 C ATOM 152 C THR A 12 -3.607 -2.562 -14.123 1.00 0.00 C ATOM 153 O THR A 12 -2.501 -2.186 -13.733 1.00 0.00 O ATOM 154 CB THR A 12 -3.556 -5.055 -14.228 1.00 0.00 C ATOM 155 OG1 THR A 12 -3.901 -6.195 -15.022 1.00 0.00 O ATOM 156 CG2 THR A 12 -4.415 -5.025 -12.973 1.00 0.00 C ATOM 0 H THR A 12 -2.263 -4.553 -16.310 1.00 0.00 H new ATOM 0 HA THR A 12 -4.734 -3.767 -15.498 1.00 0.00 H new ATOM 0 HB THR A 12 -2.510 -5.124 -13.930 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.929 -5.939 -15.967 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.268 -5.946 -12.409 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.129 -4.173 -12.357 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.465 -4.934 -13.253 1.00 0.00 H new ATOM 164 N ARG A 13 -4.740 -1.962 -13.772 1.00 0.00 N ATOM 165 CA ARG A 13 -4.749 -0.801 -12.891 1.00 0.00 C ATOM 166 C ARG A 13 -4.994 -1.218 -11.444 1.00 0.00 C ATOM 167 O ARG A 13 -5.791 -2.117 -11.174 1.00 0.00 O ATOM 168 CB ARG A 13 -5.822 0.195 -13.335 1.00 0.00 C ATOM 169 CG ARG A 13 -5.553 1.622 -12.886 1.00 0.00 C ATOM 170 CD ARG A 13 -6.286 2.628 -13.759 1.00 0.00 C ATOM 171 NE ARG A 13 -6.601 3.855 -13.033 1.00 0.00 N ATOM 172 CZ ARG A 13 -7.639 3.978 -12.213 1.00 0.00 C ATOM 173 NH1 ARG A 13 -8.457 2.953 -12.015 1.00 0.00 N ATOM 174 NH2 ARG A 13 -7.860 5.127 -11.587 1.00 0.00 N ATOM 0 H ARG A 13 -5.664 -2.261 -14.085 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.772 -0.323 -12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.898 0.174 -14.422 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.787 -0.125 -12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.865 1.743 -11.849 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.482 1.820 -12.922 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.673 2.868 -14.628 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.207 2.181 -14.132 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.991 4.662 -13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.290 2.067 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.253 3.050 -11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.232 5.917 -11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.657 5.220 -10.958 1.00 0.00 H new ATOM 188 N ILE A 14 -4.303 -0.561 -10.519 1.00 0.00 N ATOM 189 CA ILE A 14 -4.447 -0.863 -9.100 1.00 0.00 C ATOM 190 C ILE A 14 -5.658 -0.153 -8.506 1.00 0.00 C ATOM 191 O ILE A 14 -6.010 0.952 -8.921 1.00 0.00 O ATOM 192 CB ILE A 14 -3.189 -0.459 -8.308 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.936 -1.038 -8.968 1.00 0.00 C ATOM 194 CG2 ILE A 14 -3.299 -0.927 -6.865 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.676 -0.260 -8.660 1.00 0.00 C ATOM 0 H ILE A 14 -3.638 0.184 -10.726 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.586 -1.941 -9.020 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.109 0.628 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.806 -2.069 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.083 -1.063 -10.048 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.403 -0.634 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.173 -0.471 -6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.400 -2.012 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.172 -0.728 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.786 0.765 -9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.505 -0.256 -7.584 1.00 0.00 H new ATOM 207 N THR A 15 -6.293 -0.794 -7.530 1.00 0.00 N ATOM 208 CA THR A 15 -7.465 -0.223 -6.877 1.00 0.00 C ATOM 209 C THR A 15 -7.136 0.241 -5.463 1.00 0.00 C ATOM 210 O THR A 15 -6.052 -0.031 -4.947 1.00 0.00 O ATOM 211 CB THR A 15 -8.623 -1.237 -6.816 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.746 -0.658 -6.141 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.193 -2.507 -6.097 1.00 0.00 C ATOM 0 H THR A 15 -6.016 -1.709 -7.174 1.00 0.00 H new ATOM 0 HA THR A 15 -7.773 0.635 -7.475 1.00 0.00 H new ATOM 0 HB THR A 15 -8.906 -1.494 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.024 -1.244 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.027 -3.208 -6.066 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.357 -2.961 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.886 -2.263 -5.080 1.00 0.00 H new ATOM 221 N ASP A 16 -8.077 0.943 -4.842 1.00 0.00 N ATOM 222 CA ASP A 16 -7.887 1.444 -3.485 1.00 0.00 C ATOM 223 C ASP A 16 -7.771 0.292 -2.492 1.00 0.00 C ATOM 224 O ASP A 16 -7.224 0.453 -1.400 1.00 0.00 O ATOM 225 CB ASP A 16 -9.046 2.360 -3.090 1.00 0.00 C ATOM 226 CG ASP A 16 -8.800 3.805 -3.476 1.00 0.00 C ATOM 227 OD1 ASP A 16 -7.763 4.363 -3.059 1.00 0.00 O ATOM 228 OD2 ASP A 16 -9.644 4.378 -4.196 1.00 0.00 O ATOM 0 H ASP A 16 -8.979 1.178 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.959 2.015 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.961 2.010 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.205 2.297 -2.013 1.00 0.00 H new ATOM 233 N ASP A 17 -8.288 -0.869 -2.877 1.00 0.00 N ATOM 234 CA ASP A 17 -8.242 -2.049 -2.021 1.00 0.00 C ATOM 235 C ASP A 17 -6.882 -2.733 -2.110 1.00 0.00 C ATOM 236 O ASP A 17 -6.453 -3.405 -1.173 1.00 0.00 O ATOM 237 CB ASP A 17 -9.348 -3.031 -2.410 1.00 0.00 C ATOM 238 CG ASP A 17 -10.702 -2.361 -2.531 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.348 -2.136 -1.485 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.116 -2.061 -3.670 1.00 0.00 O ATOM 0 H ASP A 17 -8.744 -1.019 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.399 -1.727 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.093 -3.503 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.404 -3.824 -1.665 1.00 0.00 H new ATOM 245 N GLN A 18 -6.210 -2.556 -3.243 1.00 0.00 N ATOM 246 CA GLN A 18 -4.898 -3.158 -3.454 1.00 0.00 C ATOM 247 C GLN A 18 -3.787 -2.212 -3.012 1.00 0.00 C ATOM 248 O GLN A 18 -2.784 -2.640 -2.439 1.00 0.00 O ATOM 249 CB GLN A 18 -4.715 -3.527 -4.927 1.00 0.00 C ATOM 250 CG GLN A 18 -5.543 -4.725 -5.362 1.00 0.00 C ATOM 251 CD GLN A 18 -5.536 -4.924 -6.865 1.00 0.00 C ATOM 252 OE1 GLN A 18 -6.474 -5.485 -7.433 1.00 0.00 O ATOM 253 NE2 GLN A 18 -4.476 -4.465 -7.519 1.00 0.00 N ATOM 0 H GLN A 18 -6.551 -2.002 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.840 -4.063 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.982 -2.669 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.662 -3.738 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.158 -5.623 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.570 -4.595 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.721 -4.006 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.416 -4.571 -8.532 1.00 0.00 H new ATOM 262 N LEU A 19 -3.971 -0.924 -3.281 1.00 0.00 N ATOM 263 CA LEU A 19 -2.984 0.084 -2.912 1.00 0.00 C ATOM 264 C LEU A 19 -2.867 0.201 -1.395 1.00 0.00 C ATOM 265 O LEU A 19 -1.765 0.191 -0.845 1.00 0.00 O ATOM 266 CB LEU A 19 -3.361 1.439 -3.512 1.00 0.00 C ATOM 267 CG LEU A 19 -2.504 2.628 -3.075 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.164 2.613 -3.794 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.236 3.937 -3.334 1.00 0.00 C ATOM 0 H LEU A 19 -4.795 -0.553 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.018 -0.226 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.310 1.360 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.399 1.651 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.319 2.544 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.568 3.466 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.635 1.690 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.328 2.672 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.611 4.772 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.452 4.029 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.170 3.949 -2.772 1.00 0.00 H new ATOM 281 N ARG A 20 -4.009 0.309 -0.725 1.00 0.00 N ATOM 282 CA ARG A 20 -4.035 0.427 0.728 1.00 0.00 C ATOM 283 C ARG A 20 -3.109 -0.600 1.373 1.00 0.00 C ATOM 284 O ARG A 20 -2.348 -0.279 2.285 1.00 0.00 O ATOM 285 CB ARG A 20 -5.461 0.243 1.250 1.00 0.00 C ATOM 286 CG ARG A 20 -5.902 -1.210 1.318 1.00 0.00 C ATOM 287 CD ARG A 20 -7.321 -1.337 1.850 1.00 0.00 C ATOM 288 NE ARG A 20 -7.359 -1.348 3.310 1.00 0.00 N ATOM 289 CZ ARG A 20 -6.873 -2.338 4.051 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.315 -3.392 3.471 1.00 0.00 N ATOM 291 NH2 ARG A 20 -6.945 -2.275 5.374 1.00 0.00 N ATOM 0 H ARG A 20 -4.929 0.317 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.684 1.424 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.534 0.683 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.148 0.793 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.843 -1.656 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.220 -1.769 1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.923 -0.508 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.770 -2.254 1.469 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.782 -0.552 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.258 -3.444 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.943 -4.151 4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.374 -1.466 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.572 -3.036 5.942 1.00 0.00 H new ATOM 305 N VAL A 21 -3.179 -1.838 0.892 1.00 0.00 N ATOM 306 CA VAL A 21 -2.347 -2.912 1.421 1.00 0.00 C ATOM 307 C VAL A 21 -0.867 -2.561 1.319 1.00 0.00 C ATOM 308 O VAL A 21 -0.079 -2.885 2.208 1.00 0.00 O ATOM 309 CB VAL A 21 -2.602 -4.237 0.677 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.568 -5.279 1.075 1.00 0.00 C ATOM 311 CG2 VAL A 21 -4.011 -4.739 0.952 1.00 0.00 C ATOM 0 H VAL A 21 -3.803 -2.121 0.137 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.617 -3.035 2.470 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.508 -4.057 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.763 -6.208 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.571 -4.918 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.627 -5.459 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.174 -5.676 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.136 -4.904 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.734 -3.998 0.612 1.00 0.00 H new ATOM 321 N LEU A 22 -0.495 -1.897 0.231 1.00 0.00 N ATOM 322 CA LEU A 22 0.892 -1.500 0.012 1.00 0.00 C ATOM 323 C LEU A 22 1.253 -0.289 0.867 1.00 0.00 C ATOM 324 O LEU A 22 2.395 -0.142 1.300 1.00 0.00 O ATOM 325 CB LEU A 22 1.126 -1.184 -1.466 1.00 0.00 C ATOM 326 CG LEU A 22 0.524 -2.171 -2.467 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.161 -1.463 -3.763 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.492 -3.315 -2.735 1.00 0.00 C ATOM 0 H LEU A 22 -1.135 -1.622 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 22 1.533 -2.332 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.720 -0.194 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.201 -1.131 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.388 -2.585 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.266 -2.181 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.568 -0.679 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.057 -1.020 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.048 -4.008 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.421 -2.917 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.702 -3.840 -1.803 1.00 0.00 H new ATOM 340 N ARG A 23 0.271 0.574 1.106 1.00 0.00 N ATOM 341 CA ARG A 23 0.485 1.771 1.910 1.00 0.00 C ATOM 342 C ARG A 23 0.820 1.405 3.352 1.00 0.00 C ATOM 343 O ARG A 23 1.757 1.948 3.938 1.00 0.00 O ATOM 344 CB ARG A 23 -0.757 2.664 1.874 1.00 0.00 C ATOM 345 CG ARG A 23 -0.857 3.519 0.622 1.00 0.00 C ATOM 346 CD ARG A 23 0.029 4.752 0.717 1.00 0.00 C ATOM 347 NE ARG A 23 -0.389 5.644 1.795 1.00 0.00 N ATOM 348 CZ ARG A 23 -1.346 6.557 1.664 1.00 0.00 C ATOM 349 NH1 ARG A 23 -1.980 6.696 0.507 1.00 0.00 N ATOM 350 NH2 ARG A 23 -1.670 7.332 2.690 1.00 0.00 N ATOM 0 H ARG A 23 -0.680 0.467 0.754 1.00 0.00 H new ATOM 0 HA ARG A 23 1.329 2.316 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.646 2.038 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.752 3.315 2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.568 2.928 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.892 3.824 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.062 4.445 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.003 5.291 -0.230 1.00 0.00 H new ATOM 0 HE ARG A 23 0.079 5.562 2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.733 6.102 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.714 7.397 0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.185 7.228 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.405 8.032 2.588 1.00 0.00 H new ATOM 364 N GLN A 24 0.049 0.482 3.918 1.00 0.00 N ATOM 365 CA GLN A 24 0.264 0.045 5.292 1.00 0.00 C ATOM 366 C GLN A 24 1.719 -0.356 5.514 1.00 0.00 C ATOM 367 O GLN A 24 2.325 0.002 6.525 1.00 0.00 O ATOM 368 CB GLN A 24 -0.657 -1.129 5.626 1.00 0.00 C ATOM 369 CG GLN A 24 -2.131 -0.828 5.406 1.00 0.00 C ATOM 370 CD GLN A 24 -3.035 -1.635 6.316 1.00 0.00 C ATOM 371 OE1 GLN A 24 -2.958 -2.864 6.356 1.00 0.00 O ATOM 372 NE2 GLN A 24 -3.898 -0.948 7.055 1.00 0.00 N ATOM 0 H GLN A 24 -0.730 0.023 3.446 1.00 0.00 H new ATOM 0 HA GLN A 24 0.031 0.880 5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.375 -1.987 5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.505 -1.415 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.309 0.234 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.389 -1.036 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.928 0.070 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.531 -1.438 7.687 1.00 0.00 H new ATOM 381 N TYR A 25 2.274 -1.101 4.565 1.00 0.00 N ATOM 382 CA TYR A 25 3.657 -1.553 4.658 1.00 0.00 C ATOM 383 C TYR A 25 4.625 -0.400 4.411 1.00 0.00 C ATOM 384 O TYR A 25 5.725 -0.368 4.963 1.00 0.00 O ATOM 385 CB TYR A 25 3.917 -2.677 3.654 1.00 0.00 C ATOM 386 CG TYR A 25 3.501 -4.043 4.152 1.00 0.00 C ATOM 387 CD1 TYR A 25 4.374 -4.831 4.891 1.00 0.00 C ATOM 388 CD2 TYR A 25 2.233 -4.545 3.884 1.00 0.00 C ATOM 389 CE1 TYR A 25 3.998 -6.079 5.348 1.00 0.00 C ATOM 390 CE2 TYR A 25 1.848 -5.792 4.338 1.00 0.00 C ATOM 391 CZ TYR A 25 2.734 -6.555 5.069 1.00 0.00 C ATOM 392 OH TYR A 25 2.355 -7.798 5.522 1.00 0.00 O ATOM 0 H TYR A 25 1.787 -1.405 3.722 1.00 0.00 H new ATOM 0 HA TYR A 25 3.822 -1.931 5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.382 -2.458 2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.979 -2.696 3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.364 -4.461 5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.537 -3.950 3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.690 -6.679 5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.859 -6.167 4.122 1.00 0.00 H new ATOM 0 HH TYR A 25 3.120 -8.237 5.950 1.00 0.00 H new ATOM 402 N PHE A 26 4.206 0.546 3.576 1.00 0.00 N ATOM 403 CA PHE A 26 5.035 1.701 3.254 1.00 0.00 C ATOM 404 C PHE A 26 5.538 2.382 4.524 1.00 0.00 C ATOM 405 O PHE A 26 6.743 2.523 4.730 1.00 0.00 O ATOM 406 CB PHE A 26 4.246 2.700 2.405 1.00 0.00 C ATOM 407 CG PHE A 26 5.106 3.749 1.759 1.00 0.00 C ATOM 408 CD1 PHE A 26 6.044 3.401 0.801 1.00 0.00 C ATOM 409 CD2 PHE A 26 4.976 5.083 2.111 1.00 0.00 C ATOM 410 CE1 PHE A 26 6.837 4.364 0.205 1.00 0.00 C ATOM 411 CE2 PHE A 26 5.766 6.050 1.518 1.00 0.00 C ATOM 412 CZ PHE A 26 6.698 5.690 0.565 1.00 0.00 C ATOM 0 H PHE A 26 3.298 0.535 3.111 1.00 0.00 H new ATOM 0 HA PHE A 26 5.897 1.351 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.704 2.158 1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.500 3.189 3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.157 2.365 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.250 5.370 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.564 4.080 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.654 7.087 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.317 6.444 0.102 1.00 0.00 H new ATOM 422 N ASP A 27 4.605 2.801 5.372 1.00 0.00 N ATOM 423 CA ASP A 27 4.952 3.466 6.622 1.00 0.00 C ATOM 424 C ASP A 27 5.872 2.590 7.467 1.00 0.00 C ATOM 425 O ASP A 27 6.964 3.010 7.852 1.00 0.00 O ATOM 426 CB ASP A 27 3.687 3.808 7.411 1.00 0.00 C ATOM 427 CG ASP A 27 3.073 5.125 6.980 1.00 0.00 C ATOM 428 OD1 ASP A 27 3.644 6.184 7.316 1.00 0.00 O ATOM 429 OD2 ASP A 27 2.023 5.097 6.306 1.00 0.00 O ATOM 0 H ASP A 27 3.603 2.692 5.216 1.00 0.00 H new ATOM 0 HA ASP A 27 5.480 4.388 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.955 3.010 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.926 3.853 8.473 1.00 0.00 H new ATOM 434 N ILE A 28 5.424 1.372 7.751 1.00 0.00 N ATOM 435 CA ILE A 28 6.207 0.438 8.550 1.00 0.00 C ATOM 436 C ILE A 28 7.663 0.414 8.097 1.00 0.00 C ATOM 437 O ILE A 28 8.577 0.341 8.917 1.00 0.00 O ATOM 438 CB ILE A 28 5.633 -0.989 8.471 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.200 -1.016 9.005 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.512 -1.958 9.248 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.431 -2.258 8.611 1.00 0.00 C ATOM 0 H ILE A 28 4.523 1.009 7.440 1.00 0.00 H new ATOM 0 HA ILE A 28 6.155 0.785 9.582 1.00 0.00 H new ATOM 0 HB ILE A 28 5.618 -1.301 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.225 -0.944 10.092 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.668 -0.138 8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.093 -2.962 9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.517 -1.956 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.557 -1.651 10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.424 -2.209 9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.375 -2.322 7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.940 -3.140 9.000 1.00 0.00 H new ATOM 453 N ASN A 29 7.871 0.478 6.786 1.00 0.00 N ATOM 454 CA ASN A 29 9.216 0.465 6.224 1.00 0.00 C ATOM 455 C ASN A 29 9.232 1.101 4.837 1.00 0.00 C ATOM 456 O ASN A 29 8.421 0.760 3.977 1.00 0.00 O ATOM 457 CB ASN A 29 9.745 -0.969 6.146 1.00 0.00 C ATOM 458 CG ASN A 29 8.763 -1.911 5.477 1.00 0.00 C ATOM 459 OD1 ASN A 29 7.985 -2.591 6.146 1.00 0.00 O ATOM 460 ND2 ASN A 29 8.796 -1.956 4.150 1.00 0.00 N ATOM 0 H ASN A 29 7.125 0.539 6.093 1.00 0.00 H new ATOM 0 HA ASN A 29 9.863 1.048 6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.685 -0.977 5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.962 -1.329 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.159 -2.572 3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.458 -1.374 3.636 1.00 0.00 H new ATOM 467 N ASN A 30 10.163 2.027 4.628 1.00 0.00 N ATOM 468 CA ASN A 30 10.285 2.711 3.345 1.00 0.00 C ATOM 469 C ASN A 30 9.964 1.766 2.192 1.00 0.00 C ATOM 470 O ASN A 30 8.932 1.902 1.534 1.00 0.00 O ATOM 471 CB ASN A 30 11.697 3.276 3.178 1.00 0.00 C ATOM 472 CG ASN A 30 12.264 3.810 4.479 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.400 3.509 4.844 1.00 0.00 O ATOM 474 ND2 ASN A 30 11.472 4.608 5.186 1.00 0.00 N ATOM 0 H ASN A 30 10.843 2.321 5.329 1.00 0.00 H new ATOM 0 HA ASN A 30 9.568 3.532 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.354 2.497 2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.680 4.075 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.799 4.998 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.537 4.831 4.845 1.00 0.00 H new ATOM 481 N SER A 31 10.854 0.808 1.953 1.00 0.00 N ATOM 482 CA SER A 31 10.667 -0.158 0.877 1.00 0.00 C ATOM 483 C SER A 31 10.499 -1.568 1.435 1.00 0.00 C ATOM 484 O SER A 31 11.125 -1.949 2.425 1.00 0.00 O ATOM 485 CB SER A 31 11.855 -0.116 -0.087 1.00 0.00 C ATOM 486 OG SER A 31 11.459 -0.475 -1.399 1.00 0.00 O ATOM 0 H SER A 31 11.712 0.680 2.490 1.00 0.00 H new ATOM 0 HA SER A 31 9.760 0.110 0.336 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.286 0.885 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.633 -0.795 0.260 1.00 0.00 H new ATOM 0 HG SER A 31 12.235 -0.439 -1.996 1.00 0.00 H new ATOM 492 N PRO A 32 9.635 -2.362 0.786 1.00 0.00 N ATOM 493 CA PRO A 32 9.364 -3.742 1.199 1.00 0.00 C ATOM 494 C PRO A 32 10.552 -4.665 0.948 1.00 0.00 C ATOM 495 O PRO A 32 11.446 -4.343 0.166 1.00 0.00 O ATOM 496 CB PRO A 32 8.177 -4.148 0.323 1.00 0.00 C ATOM 497 CG PRO A 32 8.279 -3.276 -0.881 1.00 0.00 C ATOM 498 CD PRO A 32 8.855 -1.973 -0.401 1.00 0.00 C ATOM 0 HA PRO A 32 9.167 -3.817 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.227 -5.203 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.231 -3.996 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.918 -3.730 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.301 -3.126 -1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.484 -1.508 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.073 -1.256 -0.151 1.00 0.00 H new ATOM 506 N SER A 33 10.554 -5.814 1.617 1.00 0.00 N ATOM 507 CA SER A 33 11.634 -6.783 1.469 1.00 0.00 C ATOM 508 C SER A 33 11.176 -7.986 0.650 1.00 0.00 C ATOM 509 O SER A 33 9.989 -8.307 0.611 1.00 0.00 O ATOM 510 CB SER A 33 12.126 -7.243 2.842 1.00 0.00 C ATOM 511 OG SER A 33 11.983 -6.215 3.807 1.00 0.00 O ATOM 0 H SER A 33 9.820 -6.096 2.267 1.00 0.00 H new ATOM 0 HA SER A 33 12.455 -6.298 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.564 -8.122 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.173 -7.540 2.776 1.00 0.00 H new ATOM 0 HG SER A 33 12.303 -6.535 4.676 1.00 0.00 H new ATOM 517 N GLU A 34 12.127 -8.646 -0.003 1.00 0.00 N ATOM 518 CA GLU A 34 11.821 -9.814 -0.821 1.00 0.00 C ATOM 519 C GLU A 34 10.735 -10.665 -0.170 1.00 0.00 C ATOM 520 O GLU A 34 9.977 -11.351 -0.855 1.00 0.00 O ATOM 521 CB GLU A 34 13.081 -10.654 -1.041 1.00 0.00 C ATOM 522 CG GLU A 34 13.754 -11.091 0.249 1.00 0.00 C ATOM 523 CD GLU A 34 14.608 -12.331 0.070 1.00 0.00 C ATOM 524 OE1 GLU A 34 14.059 -13.448 0.164 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.826 -12.183 -0.163 1.00 0.00 O ATOM 0 H GLU A 34 13.115 -8.392 0.018 1.00 0.00 H new ATOM 0 HA GLU A 34 11.454 -9.464 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.821 -11.538 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.792 -10.079 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.375 -10.278 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.992 -11.285 1.004 1.00 0.00 H new ATOM 532 N GLU A 35 10.669 -10.617 1.156 1.00 0.00 N ATOM 533 CA GLU A 35 9.677 -11.385 1.900 1.00 0.00 C ATOM 534 C GLU A 35 8.307 -10.717 1.829 1.00 0.00 C ATOM 535 O GLU A 35 7.297 -11.376 1.583 1.00 0.00 O ATOM 536 CB GLU A 35 10.108 -11.538 3.360 1.00 0.00 C ATOM 537 CG GLU A 35 11.063 -12.695 3.595 1.00 0.00 C ATOM 538 CD GLU A 35 10.347 -14.025 3.729 1.00 0.00 C ATOM 539 OE1 GLU A 35 9.431 -14.124 4.572 1.00 0.00 O ATOM 540 OE2 GLU A 35 10.702 -14.967 2.989 1.00 0.00 O ATOM 0 H GLU A 35 11.290 -10.055 1.738 1.00 0.00 H new ATOM 0 HA GLU A 35 9.604 -12.373 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.583 -10.614 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.222 -11.678 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.772 -12.750 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.642 -12.506 4.499 1.00 0.00 H new ATOM 547 N GLN A 36 8.282 -9.406 2.047 1.00 0.00 N ATOM 548 CA GLN A 36 7.036 -8.650 2.010 1.00 0.00 C ATOM 549 C GLN A 36 6.507 -8.542 0.584 1.00 0.00 C ATOM 550 O GLN A 36 5.331 -8.802 0.326 1.00 0.00 O ATOM 551 CB GLN A 36 7.246 -7.252 2.595 1.00 0.00 C ATOM 552 CG GLN A 36 7.525 -7.254 4.090 1.00 0.00 C ATOM 553 CD GLN A 36 7.736 -5.860 4.646 1.00 0.00 C ATOM 554 OE1 GLN A 36 8.399 -5.026 4.028 1.00 0.00 O ATOM 555 NE2 GLN A 36 7.171 -5.598 5.819 1.00 0.00 N ATOM 0 H GLN A 36 9.110 -8.846 2.251 1.00 0.00 H new ATOM 0 HA GLN A 36 6.300 -9.182 2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.078 -6.772 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.359 -6.649 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.692 -7.726 4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.410 -7.859 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.630 -6.319 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.278 -4.676 6.242 1.00 0.00 H new ATOM 564 N ILE A 37 7.382 -8.158 -0.339 1.00 0.00 N ATOM 565 CA ILE A 37 7.003 -8.017 -1.740 1.00 0.00 C ATOM 566 C ILE A 37 6.247 -9.247 -2.231 1.00 0.00 C ATOM 567 O ILE A 37 5.431 -9.162 -3.149 1.00 0.00 O ATOM 568 CB ILE A 37 8.235 -7.793 -2.637 1.00 0.00 C ATOM 569 CG1 ILE A 37 9.122 -6.690 -2.056 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.802 -7.442 -4.052 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.215 -6.236 -2.998 1.00 0.00 C ATOM 0 H ILE A 37 8.359 -7.939 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 37 6.353 -7.144 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 37 8.813 -8.716 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.500 -5.834 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.575 -7.048 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.683 -7.287 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.207 -8.257 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.205 -6.530 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.805 -5.453 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.861 -7.080 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.768 -5.847 -3.913 1.00 0.00 H new ATOM 583 N LYS A 38 6.522 -10.390 -1.612 1.00 0.00 N ATOM 584 CA LYS A 38 5.867 -11.638 -1.982 1.00 0.00 C ATOM 585 C LYS A 38 4.540 -11.796 -1.246 1.00 0.00 C ATOM 586 O LYS A 38 3.505 -12.051 -1.861 1.00 0.00 O ATOM 587 CB LYS A 38 6.778 -12.828 -1.673 1.00 0.00 C ATOM 588 CG LYS A 38 6.567 -14.013 -2.601 1.00 0.00 C ATOM 589 CD LYS A 38 7.188 -13.770 -3.966 1.00 0.00 C ATOM 590 CE LYS A 38 6.786 -14.847 -4.961 1.00 0.00 C ATOM 591 NZ LYS A 38 5.361 -14.717 -5.373 1.00 0.00 N ATOM 0 H LYS A 38 7.195 -10.477 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 38 5.667 -11.610 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.817 -12.506 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.608 -13.148 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.003 -14.907 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.499 -14.202 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.878 -12.794 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.274 -13.745 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.426 -14.785 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.948 -15.830 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.175 -15.343 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.744 -14.984 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.167 -13.732 -5.646 1.00 0.00 H new ATOM 605 N GLU A 39 4.579 -11.641 0.074 1.00 0.00 N ATOM 606 CA GLU A 39 3.379 -11.765 0.892 1.00 0.00 C ATOM 607 C GLU A 39 2.283 -10.826 0.397 1.00 0.00 C ATOM 608 O GLU A 39 1.097 -11.151 0.460 1.00 0.00 O ATOM 609 CB GLU A 39 3.700 -11.464 2.358 1.00 0.00 C ATOM 610 CG GLU A 39 3.543 -9.998 2.726 1.00 0.00 C ATOM 611 CD GLU A 39 3.813 -9.734 4.195 1.00 0.00 C ATOM 612 OE1 GLU A 39 3.297 -10.497 5.039 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.539 -8.765 4.500 1.00 0.00 O ATOM 0 H GLU A 39 5.428 -11.430 0.599 1.00 0.00 H new ATOM 0 HA GLU A 39 3.019 -12.791 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.047 -12.062 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.723 -11.775 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.225 -9.400 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.532 -9.672 2.482 1.00 0.00 H new ATOM 620 N MET A 40 2.688 -9.660 -0.094 1.00 0.00 N ATOM 621 CA MET A 40 1.741 -8.674 -0.601 1.00 0.00 C ATOM 622 C MET A 40 1.244 -9.061 -1.990 1.00 0.00 C ATOM 623 O MET A 40 0.041 -9.064 -2.250 1.00 0.00 O ATOM 624 CB MET A 40 2.389 -7.289 -0.646 1.00 0.00 C ATOM 625 CG MET A 40 2.457 -6.605 0.710 1.00 0.00 C ATOM 626 SD MET A 40 3.255 -4.990 0.634 1.00 0.00 S ATOM 627 CE MET A 40 4.982 -5.461 0.692 1.00 0.00 C ATOM 0 H MET A 40 3.666 -9.375 -0.152 1.00 0.00 H new ATOM 0 HA MET A 40 0.887 -8.646 0.076 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.398 -7.382 -1.048 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.829 -6.657 -1.335 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.448 -6.489 1.105 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.001 -7.242 1.407 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.448 -5.027 1.576 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.062 -6.547 0.736 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.489 -5.096 -0.201 1.00 0.00 H new ATOM 637 N ALA A 41 2.177 -9.386 -2.879 1.00 0.00 N ATOM 638 CA ALA A 41 1.833 -9.776 -4.240 1.00 0.00 C ATOM 639 C ALA A 41 0.692 -10.788 -4.250 1.00 0.00 C ATOM 640 O ALA A 41 -0.029 -10.916 -5.239 1.00 0.00 O ATOM 641 CB ALA A 41 3.052 -10.345 -4.950 1.00 0.00 C ATOM 0 H ALA A 41 3.177 -9.387 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 41 1.498 -8.886 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.780 -10.632 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.838 -9.591 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.412 -11.220 -4.410 1.00 0.00 H new ATOM 647 N ASP A 42 0.535 -11.505 -3.143 1.00 0.00 N ATOM 648 CA ASP A 42 -0.519 -12.506 -3.023 1.00 0.00 C ATOM 649 C ASP A 42 -1.752 -11.919 -2.344 1.00 0.00 C ATOM 650 O ASP A 42 -2.884 -12.261 -2.685 1.00 0.00 O ATOM 651 CB ASP A 42 -0.015 -13.717 -2.236 1.00 0.00 C ATOM 652 CG ASP A 42 -0.874 -14.947 -2.452 1.00 0.00 C ATOM 653 OD1 ASP A 42 -0.896 -15.463 -3.589 1.00 0.00 O ATOM 654 OD2 ASP A 42 -1.527 -15.392 -1.485 1.00 0.00 O ATOM 0 H ASP A 42 1.124 -11.412 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.798 -12.826 -4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.011 -13.937 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.005 -13.473 -1.174 1.00 0.00 H new ATOM 659 N LYS A 43 -1.524 -11.034 -1.379 1.00 0.00 N ATOM 660 CA LYS A 43 -2.615 -10.398 -0.650 1.00 0.00 C ATOM 661 C LYS A 43 -3.451 -9.522 -1.578 1.00 0.00 C ATOM 662 O LYS A 43 -4.676 -9.472 -1.463 1.00 0.00 O ATOM 663 CB LYS A 43 -2.064 -9.558 0.503 1.00 0.00 C ATOM 664 CG LYS A 43 -1.545 -10.386 1.666 1.00 0.00 C ATOM 665 CD LYS A 43 -0.683 -9.556 2.601 1.00 0.00 C ATOM 666 CE LYS A 43 -0.409 -10.289 3.906 1.00 0.00 C ATOM 667 NZ LYS A 43 0.466 -11.476 3.701 1.00 0.00 N ATOM 0 H LYS A 43 -0.593 -10.741 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.255 -11.182 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.258 -8.927 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.848 -8.892 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.386 -10.804 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.965 -11.226 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.261 -9.318 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.181 -8.609 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.063 -9.607 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.353 -10.606 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.009 -12.325 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.655 -11.596 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.364 -11.337 4.206 1.00 0.00 H new ATOM 681 N SER A 44 -2.782 -8.834 -2.497 1.00 0.00 N ATOM 682 CA SER A 44 -3.463 -7.958 -3.443 1.00 0.00 C ATOM 683 C SER A 44 -3.618 -8.638 -4.800 1.00 0.00 C ATOM 684 O SER A 44 -4.615 -8.446 -5.493 1.00 0.00 O ATOM 685 CB SER A 44 -2.692 -6.646 -3.603 1.00 0.00 C ATOM 686 OG SER A 44 -1.457 -6.858 -4.266 1.00 0.00 O ATOM 0 H SER A 44 -1.768 -8.866 -2.607 1.00 0.00 H new ATOM 0 HA SER A 44 -4.456 -7.742 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.294 -5.933 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.511 -6.205 -2.623 1.00 0.00 H new ATOM 0 HG SER A 44 -0.912 -7.487 -3.749 1.00 0.00 H new ATOM 692 N GLY A 45 -2.621 -9.436 -5.172 1.00 0.00 N ATOM 693 CA GLY A 45 -2.664 -10.134 -6.443 1.00 0.00 C ATOM 694 C GLY A 45 -1.710 -9.542 -7.462 1.00 0.00 C ATOM 695 O GLY A 45 -1.548 -10.080 -8.558 1.00 0.00 O ATOM 0 H GLY A 45 -1.784 -9.611 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.417 -11.184 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.679 -10.101 -6.838 1.00 0.00 H new ATOM 699 N LEU A 46 -1.078 -8.431 -7.102 1.00 0.00 N ATOM 700 CA LEU A 46 -0.135 -7.764 -7.993 1.00 0.00 C ATOM 701 C LEU A 46 1.211 -8.480 -7.996 1.00 0.00 C ATOM 702 O LEU A 46 1.636 -9.061 -6.997 1.00 0.00 O ATOM 703 CB LEU A 46 0.051 -6.305 -7.572 1.00 0.00 C ATOM 704 CG LEU A 46 -1.201 -5.428 -7.621 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.126 -4.333 -6.567 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.376 -4.825 -9.007 1.00 0.00 C ATOM 0 H LEU A 46 -1.201 -7.973 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.544 -7.795 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.443 -6.288 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.810 -5.857 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.068 -6.053 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.025 -3.719 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.049 -4.785 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.250 -3.710 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.272 -4.204 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.507 -4.214 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.475 -5.624 -9.742 1.00 0.00 H new ATOM 718 N PRO A 47 1.902 -8.437 -9.145 1.00 0.00 N ATOM 719 CA PRO A 47 3.213 -9.074 -9.305 1.00 0.00 C ATOM 720 C PRO A 47 4.303 -8.365 -8.509 1.00 0.00 C ATOM 721 O PRO A 47 4.058 -7.331 -7.890 1.00 0.00 O ATOM 722 CB PRO A 47 3.484 -8.955 -10.807 1.00 0.00 C ATOM 723 CG PRO A 47 2.685 -7.776 -11.244 1.00 0.00 C ATOM 724 CD PRO A 47 1.457 -7.763 -10.376 1.00 0.00 C ATOM 0 HA PRO A 47 3.215 -10.100 -8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.546 -8.810 -11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.180 -9.858 -11.337 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.255 -6.854 -11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.417 -7.855 -12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.116 -6.747 -10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.627 -8.291 -10.846 1.00 0.00 H new ATOM 732 N GLN A 48 5.507 -8.929 -8.531 1.00 0.00 N ATOM 733 CA GLN A 48 6.634 -8.350 -7.811 1.00 0.00 C ATOM 734 C GLN A 48 7.209 -7.157 -8.568 1.00 0.00 C ATOM 735 O GLN A 48 7.836 -6.277 -7.977 1.00 0.00 O ATOM 736 CB GLN A 48 7.722 -9.403 -7.592 1.00 0.00 C ATOM 737 CG GLN A 48 7.375 -10.422 -6.519 1.00 0.00 C ATOM 738 CD GLN A 48 8.602 -11.089 -5.930 1.00 0.00 C ATOM 739 OE1 GLN A 48 9.535 -11.446 -6.650 1.00 0.00 O ATOM 740 NE2 GLN A 48 8.608 -11.261 -4.613 1.00 0.00 N ATOM 0 H GLN A 48 5.726 -9.786 -9.039 1.00 0.00 H new ATOM 0 HA GLN A 48 6.274 -8.003 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.905 -9.925 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.651 -8.902 -7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.816 -9.930 -5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.721 -11.183 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.813 -10.950 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.407 -11.704 -4.160 1.00 0.00 H new ATOM 749 N LYS A 49 6.992 -7.134 -9.878 1.00 0.00 N ATOM 750 CA LYS A 49 7.487 -6.049 -10.717 1.00 0.00 C ATOM 751 C LYS A 49 6.643 -4.791 -10.535 1.00 0.00 C ATOM 752 O LYS A 49 7.173 -3.684 -10.443 1.00 0.00 O ATOM 753 CB LYS A 49 7.481 -6.471 -12.188 1.00 0.00 C ATOM 754 CG LYS A 49 6.095 -6.786 -12.725 1.00 0.00 C ATOM 755 CD LYS A 49 6.163 -7.441 -14.094 1.00 0.00 C ATOM 756 CE LYS A 49 6.485 -6.427 -15.182 1.00 0.00 C ATOM 757 NZ LYS A 49 5.334 -5.522 -15.454 1.00 0.00 N ATOM 0 H LYS A 49 6.476 -7.855 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 49 8.510 -5.826 -10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.921 -5.674 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.116 -7.349 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.576 -7.446 -12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.511 -5.868 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.923 -8.223 -14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.211 -7.924 -14.315 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.350 -5.835 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.759 -6.951 -16.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.505 -4.998 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.465 -6.085 -15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.228 -4.850 -14.668 1.00 0.00 H new ATOM 771 N VAL A 50 5.327 -4.970 -10.481 1.00 0.00 N ATOM 772 CA VAL A 50 4.410 -3.850 -10.307 1.00 0.00 C ATOM 773 C VAL A 50 4.557 -3.230 -8.921 1.00 0.00 C ATOM 774 O VAL A 50 4.633 -2.009 -8.782 1.00 0.00 O ATOM 775 CB VAL A 50 2.947 -4.285 -10.510 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.996 -3.251 -9.928 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.660 -4.515 -11.986 1.00 0.00 C ATOM 0 H VAL A 50 4.872 -5.880 -10.555 1.00 0.00 H new ATOM 0 HA VAL A 50 4.669 -3.109 -11.063 1.00 0.00 H new ATOM 0 HB VAL A 50 2.789 -5.225 -9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.967 -3.576 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.187 -3.141 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.152 -2.293 -10.425 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.622 -4.822 -12.111 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.835 -3.592 -12.539 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.318 -5.296 -12.367 1.00 0.00 H new ATOM 787 N ILE A 51 4.596 -4.080 -7.901 1.00 0.00 N ATOM 788 CA ILE A 51 4.735 -3.615 -6.526 1.00 0.00 C ATOM 789 C ILE A 51 6.061 -2.890 -6.323 1.00 0.00 C ATOM 790 O ILE A 51 6.090 -1.729 -5.912 1.00 0.00 O ATOM 791 CB ILE A 51 4.643 -4.782 -5.525 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.291 -5.487 -5.653 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.853 -4.280 -4.105 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.299 -6.909 -5.138 1.00 0.00 C ATOM 0 H ILE A 51 4.533 -5.093 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 51 3.913 -2.923 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 51 5.429 -5.501 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.540 -4.916 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.990 -5.490 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.785 -5.117 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.838 -3.820 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.087 -3.543 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.308 -7.346 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.026 -7.495 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.569 -6.912 -4.082 1.00 0.00 H new ATOM 806 N LYS A 52 7.158 -3.580 -6.614 1.00 0.00 N ATOM 807 CA LYS A 52 8.488 -3.002 -6.467 1.00 0.00 C ATOM 808 C LYS A 52 8.555 -1.620 -7.109 1.00 0.00 C ATOM 809 O LYS A 52 9.056 -0.669 -6.509 1.00 0.00 O ATOM 810 CB LYS A 52 9.538 -3.920 -7.097 1.00 0.00 C ATOM 811 CG LYS A 52 9.928 -5.094 -6.215 1.00 0.00 C ATOM 812 CD LYS A 52 10.778 -6.101 -6.971 1.00 0.00 C ATOM 813 CE LYS A 52 11.569 -6.987 -6.021 1.00 0.00 C ATOM 814 NZ LYS A 52 12.877 -6.378 -5.654 1.00 0.00 N ATOM 0 H LYS A 52 7.152 -4.542 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 52 8.696 -2.899 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.155 -4.300 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.429 -3.336 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.478 -4.731 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.029 -5.584 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.138 -6.720 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.464 -5.574 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.985 -7.164 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.738 -7.958 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.386 -7.012 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.445 -6.232 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.715 -5.463 -5.187 1.00 0.00 H new ATOM 828 N HIS A 53 8.046 -1.516 -8.333 1.00 0.00 N ATOM 829 CA HIS A 53 8.046 -0.249 -9.055 1.00 0.00 C ATOM 830 C HIS A 53 7.230 0.802 -8.309 1.00 0.00 C ATOM 831 O HIS A 53 7.744 1.862 -7.951 1.00 0.00 O ATOM 832 CB HIS A 53 7.485 -0.441 -10.465 1.00 0.00 C ATOM 833 CG HIS A 53 8.528 -0.793 -11.481 1.00 0.00 C ATOM 834 ND1 HIS A 53 8.414 -0.472 -12.818 1.00 0.00 N ATOM 835 CD2 HIS A 53 9.709 -1.441 -11.350 1.00 0.00 C ATOM 836 CE1 HIS A 53 9.480 -0.909 -13.465 1.00 0.00 C ATOM 837 NE2 HIS A 53 10.281 -1.500 -12.597 1.00 0.00 N ATOM 0 H HIS A 53 7.629 -2.293 -8.845 1.00 0.00 H new ATOM 0 HA HIS A 53 9.076 0.100 -9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 53 6.731 -1.227 -10.443 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.982 0.475 -10.775 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.124 -1.838 -10.435 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.665 -0.801 -14.524 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.179 -1.931 -12.817 1.00 0.00 H new ATOM 846 N TRP A 54 5.957 0.502 -8.080 1.00 0.00 N ATOM 847 CA TRP A 54 5.069 1.422 -7.377 1.00 0.00 C ATOM 848 C TRP A 54 5.779 2.062 -6.189 1.00 0.00 C ATOM 849 O TRP A 54 5.726 3.278 -6.004 1.00 0.00 O ATOM 850 CB TRP A 54 3.814 0.688 -6.902 1.00 0.00 C ATOM 851 CG TRP A 54 2.921 1.533 -6.044 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.857 2.283 -6.458 1.00 0.00 C ATOM 853 CD2 TRP A 54 3.017 1.717 -4.627 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.285 2.921 -5.383 1.00 0.00 N ATOM 855 CE2 TRP A 54 1.978 2.589 -4.249 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.878 1.227 -3.641 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.780 2.982 -2.928 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.681 1.618 -2.331 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.638 2.488 -1.983 1.00 0.00 C ATOM 0 H TRP A 54 5.516 -0.371 -8.370 1.00 0.00 H new ATOM 0 HA TRP A 54 4.779 2.211 -8.071 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.252 0.344 -7.770 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.110 -0.199 -6.342 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.515 2.363 -7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.476 3.541 -5.423 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.683 0.555 -3.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.978 3.653 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.342 1.247 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.509 2.774 -0.949 1.00 0.00 H new ATOM 870 N PHE A 55 6.444 1.237 -5.387 1.00 0.00 N ATOM 871 CA PHE A 55 7.164 1.724 -4.216 1.00 0.00 C ATOM 872 C PHE A 55 8.255 2.711 -4.620 1.00 0.00 C ATOM 873 O PHE A 55 8.499 3.700 -3.929 1.00 0.00 O ATOM 874 CB PHE A 55 7.779 0.553 -3.446 1.00 0.00 C ATOM 875 CG PHE A 55 6.870 -0.017 -2.395 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.872 0.494 -1.107 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.013 -1.064 -2.696 1.00 0.00 C ATOM 878 CE1 PHE A 55 6.036 -0.028 -0.138 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.175 -1.590 -1.731 1.00 0.00 C ATOM 880 CZ PHE A 55 5.187 -1.072 -0.450 1.00 0.00 C ATOM 0 H PHE A 55 6.499 0.228 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 55 6.453 2.240 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.045 -0.235 -4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.704 0.885 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.534 1.310 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.000 -1.473 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.047 0.380 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.511 -2.405 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.534 -1.483 0.306 1.00 0.00 H new ATOM 890 N ARG A 56 8.908 2.434 -5.744 1.00 0.00 N ATOM 891 CA ARG A 56 9.975 3.295 -6.240 1.00 0.00 C ATOM 892 C ARG A 56 9.405 4.586 -6.822 1.00 0.00 C ATOM 893 O ARG A 56 9.714 5.680 -6.351 1.00 0.00 O ATOM 894 CB ARG A 56 10.798 2.564 -7.302 1.00 0.00 C ATOM 895 CG ARG A 56 12.138 3.219 -7.592 1.00 0.00 C ATOM 896 CD ARG A 56 12.774 2.655 -8.853 1.00 0.00 C ATOM 897 NE ARG A 56 13.513 1.423 -8.589 1.00 0.00 N ATOM 898 CZ ARG A 56 12.946 0.223 -8.534 1.00 0.00 C ATOM 899 NH1 ARG A 56 11.641 0.094 -8.724 1.00 0.00 N ATOM 900 NH2 ARG A 56 13.686 -0.851 -8.289 1.00 0.00 N ATOM 0 H ARG A 56 8.717 1.620 -6.328 1.00 0.00 H new ATOM 0 HA ARG A 56 10.622 3.549 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.968 1.538 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.221 2.513 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.002 4.295 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.809 3.068 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.999 2.461 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.447 3.397 -9.282 1.00 0.00 H new ATOM 0 HE ARG A 56 14.520 1.488 -8.439 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.069 0.917 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.208 -0.829 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.691 -0.755 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.250 -1.772 -8.247 1.00 0.00 H new ATOM 914 N ASN A 57 8.572 4.448 -7.849 1.00 0.00 N ATOM 915 CA ASN A 57 7.960 5.603 -8.496 1.00 0.00 C ATOM 916 C ASN A 57 7.254 6.489 -7.473 1.00 0.00 C ATOM 917 O ASN A 57 7.145 7.702 -7.656 1.00 0.00 O ATOM 918 CB ASN A 57 6.965 5.147 -9.565 1.00 0.00 C ATOM 919 CG ASN A 57 6.207 6.307 -10.181 1.00 0.00 C ATOM 920 OD1 ASN A 57 5.152 6.705 -9.687 1.00 0.00 O ATOM 921 ND2 ASN A 57 6.742 6.854 -11.266 1.00 0.00 N ATOM 0 H ASN A 57 8.306 3.549 -8.250 1.00 0.00 H new ATOM 0 HA ASN A 57 8.751 6.184 -8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.499 4.608 -10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.256 4.447 -9.123 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.276 7.637 -11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.619 6.491 -11.641 1.00 0.00 H new ATOM 928 N THR A 58 6.776 5.874 -6.396 1.00 0.00 N ATOM 929 CA THR A 58 6.080 6.606 -5.345 1.00 0.00 C ATOM 930 C THR A 58 7.063 7.169 -4.324 1.00 0.00 C ATOM 931 O THR A 58 7.122 8.380 -4.107 1.00 0.00 O ATOM 932 CB THR A 58 5.060 5.709 -4.617 1.00 0.00 C ATOM 933 OG1 THR A 58 4.119 5.177 -5.556 1.00 0.00 O ATOM 934 CG2 THR A 58 4.323 6.491 -3.541 1.00 0.00 C ATOM 0 H THR A 58 6.858 4.871 -6.229 1.00 0.00 H new ATOM 0 HA THR A 58 5.551 7.427 -5.829 1.00 0.00 H new ATOM 0 HB THR A 58 5.602 4.891 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.557 4.495 -6.107 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.609 5.837 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.039 6.871 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.792 7.327 -3.998 1.00 0.00 H new ATOM 942 N LEU A 59 7.833 6.284 -3.700 1.00 0.00 N ATOM 943 CA LEU A 59 8.814 6.694 -2.702 1.00 0.00 C ATOM 944 C LEU A 59 9.727 7.785 -3.252 1.00 0.00 C ATOM 945 O LEU A 59 9.857 8.857 -2.660 1.00 0.00 O ATOM 946 CB LEU A 59 9.649 5.492 -2.256 1.00 0.00 C ATOM 947 CG LEU A 59 10.720 5.773 -1.202 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.149 5.606 0.198 1.00 0.00 C ATOM 949 CD2 LEU A 59 11.920 4.858 -1.403 1.00 0.00 C ATOM 0 H LEU A 59 7.797 5.279 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 59 8.276 7.095 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.974 4.731 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.135 5.066 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 59 11.052 6.805 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.926 5.810 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.323 6.303 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.788 4.585 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.672 5.072 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.603 3.819 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.345 5.027 -2.392 1.00 0.00 H new ATOM 961 N PHE A 60 10.357 7.506 -4.388 1.00 0.00 N ATOM 962 CA PHE A 60 11.257 8.464 -5.019 1.00 0.00 C ATOM 963 C PHE A 60 10.719 9.886 -4.884 1.00 0.00 C ATOM 964 O PHE A 60 11.470 10.824 -4.619 1.00 0.00 O ATOM 965 CB PHE A 60 11.450 8.118 -6.497 1.00 0.00 C ATOM 966 CG PHE A 60 12.740 8.632 -7.069 1.00 0.00 C ATOM 967 CD1 PHE A 60 12.843 9.940 -7.516 1.00 0.00 C ATOM 968 CD2 PHE A 60 13.850 7.808 -7.161 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.029 10.415 -8.043 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.038 8.277 -7.687 1.00 0.00 C ATOM 971 CZ PHE A 60 15.128 9.583 -8.128 1.00 0.00 C ATOM 0 H PHE A 60 10.261 6.624 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 60 12.220 8.409 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.415 7.035 -6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.619 8.529 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.987 10.595 -7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.786 6.786 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.096 11.436 -8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.895 7.624 -7.753 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.056 9.953 -8.538 1.00 0.00 H new ATOM 981 N LYS A 61 9.412 10.038 -5.070 1.00 0.00 N ATOM 982 CA LYS A 61 8.770 11.343 -4.969 1.00 0.00 C ATOM 983 C LYS A 61 8.601 11.755 -3.510 1.00 0.00 C ATOM 984 O LYS A 61 8.835 12.908 -3.151 1.00 0.00 O ATOM 985 CB LYS A 61 7.407 11.320 -5.664 1.00 0.00 C ATOM 986 CG LYS A 61 6.564 12.554 -5.392 1.00 0.00 C ATOM 987 CD LYS A 61 5.103 12.318 -5.736 1.00 0.00 C ATOM 988 CE LYS A 61 4.365 13.629 -5.959 1.00 0.00 C ATOM 989 NZ LYS A 61 4.718 14.250 -7.265 1.00 0.00 N ATOM 0 H LYS A 61 8.776 9.272 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 61 9.410 12.074 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.558 11.224 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.858 10.436 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.651 12.831 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.945 13.392 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.034 11.703 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.624 11.762 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.290 13.452 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.603 14.321 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.055 15.024 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.686 14.627 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.660 13.534 -8.017 1.00 0.00 H new ATOM 1003 N GLU A 62 8.196 10.804 -2.674 1.00 0.00 N ATOM 1004 CA GLU A 62 7.997 11.069 -1.254 1.00 0.00 C ATOM 1005 C GLU A 62 9.199 11.801 -0.664 1.00 0.00 C ATOM 1006 O GLU A 62 9.050 12.826 0.001 1.00 0.00 O ATOM 1007 CB GLU A 62 7.759 9.761 -0.497 1.00 0.00 C ATOM 1008 CG GLU A 62 6.364 9.192 -0.689 1.00 0.00 C ATOM 1009 CD GLU A 62 5.275 10.208 -0.406 1.00 0.00 C ATOM 1010 OE1 GLU A 62 5.263 10.769 0.710 1.00 0.00 O ATOM 1011 OE2 GLU A 62 4.435 10.443 -1.299 1.00 0.00 O ATOM 0 H GLU A 62 7.999 9.844 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 62 7.119 11.706 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.491 9.023 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.930 9.930 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.261 8.830 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.233 8.332 -0.032 1.00 0.00 H new ATOM 1018 N ARG A 63 10.390 11.265 -0.912 1.00 0.00 N ATOM 1019 CA ARG A 63 11.618 11.865 -0.404 1.00 0.00 C ATOM 1020 C ARG A 63 11.986 13.111 -1.205 1.00 0.00 C ATOM 1021 O ARG A 63 12.461 14.100 -0.648 1.00 0.00 O ATOM 1022 CB ARG A 63 12.764 10.854 -0.457 1.00 0.00 C ATOM 1023 CG ARG A 63 12.475 9.565 0.294 1.00 0.00 C ATOM 1024 CD ARG A 63 12.696 9.729 1.789 1.00 0.00 C ATOM 1025 NE ARG A 63 14.113 9.854 2.122 1.00 0.00 N ATOM 1026 CZ ARG A 63 14.927 8.815 2.270 1.00 0.00 C ATOM 1027 NH1 ARG A 63 14.467 7.581 2.115 1.00 0.00 N ATOM 1028 NH2 ARG A 63 16.204 9.009 2.574 1.00 0.00 N ATOM 0 H ARG A 63 10.530 10.417 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 63 11.449 12.158 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.980 10.617 -1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.661 11.313 -0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.446 9.258 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.118 8.770 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.162 10.612 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.274 8.872 2.314 1.00 0.00 H new ATOM 0 HE ARG A 63 14.498 10.790 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.486 7.428 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.094 6.785 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.561 9.957 2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.828 8.210 2.687 1.00 0.00 H new ATOM 1042 N GLN A 64 11.765 13.053 -2.514 1.00 0.00 N ATOM 1043 CA GLN A 64 12.075 14.176 -3.391 1.00 0.00 C ATOM 1044 C GLN A 64 11.488 15.473 -2.843 1.00 0.00 C ATOM 1045 O GLN A 64 12.193 16.471 -2.694 1.00 0.00 O ATOM 1046 CB GLN A 64 11.538 13.914 -4.799 1.00 0.00 C ATOM 1047 CG GLN A 64 11.576 15.137 -5.702 1.00 0.00 C ATOM 1048 CD GLN A 64 12.981 15.482 -6.156 1.00 0.00 C ATOM 1049 OE1 GLN A 64 13.617 14.717 -6.882 1.00 0.00 O ATOM 1050 NE2 GLN A 64 13.472 16.640 -5.732 1.00 0.00 N ATOM 0 H GLN A 64 11.373 12.241 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 64 13.159 14.280 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.120 13.115 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.510 13.558 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.949 14.959 -6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.150 15.989 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.910 17.243 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.411 16.927 -6.007 1.00 0.00 H new ATOM 1059 N SER A 65 10.192 15.451 -2.546 1.00 0.00 N ATOM 1060 CA SER A 65 9.509 16.626 -2.018 1.00 0.00 C ATOM 1061 C SER A 65 9.000 16.369 -0.603 1.00 0.00 C ATOM 1062 O SER A 65 8.449 15.308 -0.313 1.00 0.00 O ATOM 1063 CB SER A 65 8.343 17.016 -2.929 1.00 0.00 C ATOM 1064 OG SER A 65 7.963 18.366 -2.721 1.00 0.00 O ATOM 0 H SER A 65 9.595 14.632 -2.662 1.00 0.00 H new ATOM 0 HA SER A 65 10.225 17.447 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.627 16.871 -3.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.493 16.362 -2.737 1.00 0.00 H new ATOM 0 HG SER A 65 7.218 18.591 -3.316 1.00 0.00 H new ATOM 1070 N GLY A 66 9.189 17.350 0.275 1.00 0.00 N ATOM 1071 CA GLY A 66 8.744 17.212 1.649 1.00 0.00 C ATOM 1072 C GLY A 66 9.899 17.137 2.628 1.00 0.00 C ATOM 1073 O GLY A 66 10.429 18.155 3.074 1.00 0.00 O ATOM 0 H GLY A 66 9.642 18.238 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.107 18.058 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.134 16.313 1.742 1.00 0.00 H new ATOM 1077 N PRO A 67 10.305 15.908 2.977 1.00 0.00 N ATOM 1078 CA PRO A 67 11.408 15.675 3.914 1.00 0.00 C ATOM 1079 C PRO A 67 12.760 16.060 3.325 1.00 0.00 C ATOM 1080 O PRO A 67 13.472 15.219 2.776 1.00 0.00 O ATOM 1081 CB PRO A 67 11.346 14.166 4.168 1.00 0.00 C ATOM 1082 CG PRO A 67 10.694 13.605 2.952 1.00 0.00 C ATOM 1083 CD PRO A 67 9.719 14.650 2.484 1.00 0.00 C ATOM 0 HA PRO A 67 11.309 16.278 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.342 13.747 4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.772 13.939 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.432 13.386 2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.183 12.669 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.621 14.651 1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.723 14.483 2.894 1.00 0.00 H new ATOM 1091 N SER A 68 13.110 17.338 3.442 1.00 0.00 N ATOM 1092 CA SER A 68 14.376 17.835 2.918 1.00 0.00 C ATOM 1093 C SER A 68 15.022 18.812 3.896 1.00 0.00 C ATOM 1094 O SER A 68 14.333 19.546 4.604 1.00 0.00 O ATOM 1095 CB SER A 68 14.159 18.517 1.566 1.00 0.00 C ATOM 1096 OG SER A 68 13.818 17.572 0.567 1.00 0.00 O ATOM 0 H SER A 68 12.534 18.047 3.895 1.00 0.00 H new ATOM 0 HA SER A 68 15.046 16.985 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.367 19.260 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.065 19.049 1.274 1.00 0.00 H new ATOM 0 HG SER A 68 13.683 18.033 -0.287 1.00 0.00 H new ATOM 1102 N SER A 69 16.351 18.816 3.927 1.00 0.00 N ATOM 1103 CA SER A 69 17.092 19.700 4.820 1.00 0.00 C ATOM 1104 C SER A 69 16.832 21.163 4.475 1.00 0.00 C ATOM 1105 O SER A 69 16.616 21.992 5.358 1.00 0.00 O ATOM 1106 CB SER A 69 18.591 19.403 4.737 1.00 0.00 C ATOM 1107 OG SER A 69 18.881 18.104 5.225 1.00 0.00 O ATOM 0 H SER A 69 16.937 18.217 3.344 1.00 0.00 H new ATOM 0 HA SER A 69 16.748 19.519 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.925 19.490 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.144 20.144 5.314 1.00 0.00 H new ATOM 0 HG SER A 69 19.845 17.938 5.160 1.00 0.00 H new ATOM 1113 N GLY A 70 16.855 21.473 3.182 1.00 0.00 N ATOM 1114 CA GLY A 70 16.621 22.836 2.741 1.00 0.00 C ATOM 1115 C GLY A 70 17.522 23.834 3.440 1.00 0.00 C ATOM 1116 O GLY A 70 17.067 24.889 3.882 1.00 0.00 O ATOM 0 H GLY A 70 17.032 20.804 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.781 22.899 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.580 23.100 2.925 1.00 0.00 H new TER 1120 GLY A 70