USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 792 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 HIS : no HE2:sc= -0.0688 X(o=-0.069,f=-0.39) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0765 (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 22:sc= 0.0234 USER MOD Single : A 6 SER OG : rot 180:sc=0.000948 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot 41:sc= -0.675 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -176:sc= -0.62 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.321 (180deg=-0.856) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.58) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -106:sc= -0.231 (180deg=-4.64!) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 42 GLN : amide:sc=-0.00209 X(o=-0.0021,f=-0.0021) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -7.31! C(o=-7.3!,f=-15!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc=-0.00138 (180deg=-0.396) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -102:sc= -0.527 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -165:sc= -0.0646 (180deg=-0.464) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0962 X(o=-0.096,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.882 -18.431 -20.817 1.00 0.00 N ATOM 2 CA GLY A 1 16.111 -18.502 -19.385 1.00 0.00 C ATOM 3 C GLY A 1 14.894 -18.089 -18.582 1.00 0.00 C ATOM 4 O GLY A 1 13.868 -17.711 -19.148 1.00 0.00 O ATOM 0 H1 GLY A 1 16.014 -19.373 -21.237 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.911 -18.105 -20.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.556 -17.764 -21.244 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.392 -19.520 -19.115 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.951 -17.859 -19.122 1.00 0.00 H new ATOM 8 N SER A 2 15.006 -18.164 -17.260 1.00 0.00 N ATOM 9 CA SER A 2 13.904 -17.800 -16.378 1.00 0.00 C ATOM 10 C SER A 2 14.075 -16.378 -15.852 1.00 0.00 C ATOM 11 O SER A 2 15.132 -16.019 -15.333 1.00 0.00 O ATOM 12 CB SER A 2 13.814 -18.781 -15.207 1.00 0.00 C ATOM 13 OG SER A 2 12.581 -18.647 -14.522 1.00 0.00 O ATOM 0 H SER A 2 15.849 -18.474 -16.776 1.00 0.00 H new ATOM 0 HA SER A 2 12.980 -17.847 -16.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.920 -19.802 -15.575 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.638 -18.604 -14.516 1.00 0.00 H new ATOM 0 HG SER A 2 12.548 -19.286 -13.780 1.00 0.00 H new ATOM 19 N SER A 3 13.027 -15.572 -15.991 1.00 0.00 N ATOM 20 CA SER A 3 13.061 -14.188 -15.534 1.00 0.00 C ATOM 21 C SER A 3 11.667 -13.713 -15.134 1.00 0.00 C ATOM 22 O SER A 3 10.738 -13.732 -15.940 1.00 0.00 O ATOM 23 CB SER A 3 13.627 -13.281 -16.629 1.00 0.00 C ATOM 24 OG SER A 3 14.979 -13.601 -16.907 1.00 0.00 O ATOM 0 H SER A 3 12.144 -15.854 -16.417 1.00 0.00 H new ATOM 0 HA SER A 3 13.708 -14.136 -14.659 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.031 -13.385 -17.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.553 -12.239 -16.317 1.00 0.00 H new ATOM 0 HG SER A 3 15.317 -13.009 -17.611 1.00 0.00 H new ATOM 30 N GLY A 4 11.530 -13.287 -13.882 1.00 0.00 N ATOM 31 CA GLY A 4 10.248 -12.813 -13.396 1.00 0.00 C ATOM 32 C GLY A 4 10.007 -11.353 -13.724 1.00 0.00 C ATOM 33 O GLY A 4 10.899 -10.520 -13.569 1.00 0.00 O ATOM 0 H GLY A 4 12.284 -13.262 -13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.452 -13.416 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.198 -12.953 -12.316 1.00 0.00 H new ATOM 37 N SER A 5 8.798 -11.042 -14.181 1.00 0.00 N ATOM 38 CA SER A 5 8.444 -9.673 -14.537 1.00 0.00 C ATOM 39 C SER A 5 6.990 -9.378 -14.180 1.00 0.00 C ATOM 40 O SER A 5 6.221 -10.284 -13.860 1.00 0.00 O ATOM 41 CB SER A 5 8.672 -9.438 -16.032 1.00 0.00 C ATOM 42 OG SER A 5 10.015 -9.068 -16.290 1.00 0.00 O ATOM 0 H SER A 5 8.047 -11.720 -14.313 1.00 0.00 H new ATOM 0 HA SER A 5 9.084 -8.998 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.428 -10.344 -16.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.001 -8.656 -16.387 1.00 0.00 H new ATOM 0 HG SER A 5 10.585 -9.369 -15.552 1.00 0.00 H new ATOM 48 N SER A 6 6.621 -8.102 -14.238 1.00 0.00 N ATOM 49 CA SER A 6 5.261 -7.685 -13.917 1.00 0.00 C ATOM 50 C SER A 6 4.345 -7.841 -15.127 1.00 0.00 C ATOM 51 O SER A 6 4.803 -8.123 -16.234 1.00 0.00 O ATOM 52 CB SER A 6 5.251 -6.231 -13.441 1.00 0.00 C ATOM 53 OG SER A 6 5.896 -5.383 -14.374 1.00 0.00 O ATOM 0 H SER A 6 7.244 -7.340 -14.504 1.00 0.00 H new ATOM 0 HA SER A 6 4.890 -8.326 -13.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.223 -5.900 -13.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.749 -6.158 -12.474 1.00 0.00 H new ATOM 0 HG SER A 6 5.874 -4.460 -14.046 1.00 0.00 H new ATOM 59 N GLY A 7 3.047 -7.658 -14.907 1.00 0.00 N ATOM 60 CA GLY A 7 2.086 -7.783 -15.987 1.00 0.00 C ATOM 61 C GLY A 7 0.664 -7.932 -15.484 1.00 0.00 C ATOM 62 O GLY A 7 -0.116 -6.981 -15.518 1.00 0.00 O ATOM 0 H GLY A 7 2.644 -7.425 -14.000 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.150 -6.905 -16.630 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.344 -8.647 -16.600 1.00 0.00 H new ATOM 66 N GLN A 8 0.326 -9.130 -15.017 1.00 0.00 N ATOM 67 CA GLN A 8 -1.013 -9.400 -14.506 1.00 0.00 C ATOM 68 C GLN A 8 -1.447 -8.323 -13.518 1.00 0.00 C ATOM 69 O GLN A 8 -2.446 -7.631 -13.715 1.00 0.00 O ATOM 70 CB GLN A 8 -1.058 -10.774 -13.835 1.00 0.00 C ATOM 71 CG GLN A 8 -1.513 -11.890 -14.762 1.00 0.00 C ATOM 72 CD GLN A 8 -0.362 -12.533 -15.510 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.020 -12.122 -16.619 1.00 0.00 O ATOM 74 NE2 GLN A 8 0.244 -13.548 -14.905 1.00 0.00 N ATOM 0 H GLN A 8 0.960 -9.928 -14.982 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.704 -9.392 -15.349 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.067 -11.014 -13.451 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.730 -10.729 -12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.033 -12.651 -14.180 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.230 -11.491 -15.480 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.072 -13.856 -13.986 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.026 -14.020 -15.360 1.00 0.00 H new ATOM 83 N PRO A 9 -0.679 -8.176 -12.428 1.00 0.00 N ATOM 84 CA PRO A 9 -0.964 -7.185 -11.386 1.00 0.00 C ATOM 85 C PRO A 9 -0.728 -5.756 -11.865 1.00 0.00 C ATOM 86 O PRO A 9 -0.546 -5.514 -13.058 1.00 0.00 O ATOM 87 CB PRO A 9 0.022 -7.545 -10.273 1.00 0.00 C ATOM 88 CG PRO A 9 1.145 -8.233 -10.970 1.00 0.00 C ATOM 89 CD PRO A 9 0.527 -8.966 -12.128 1.00 0.00 C ATOM 0 HA PRO A 9 -2.008 -7.212 -11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.368 -6.655 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.440 -8.195 -9.530 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.889 -7.515 -11.315 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.656 -8.924 -10.299 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.202 -9.009 -12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.279 -9.995 -11.866 1.00 0.00 H new ATOM 97 N ARG A 10 -0.731 -4.815 -10.928 1.00 0.00 N ATOM 98 CA ARG A 10 -0.518 -3.410 -11.255 1.00 0.00 C ATOM 99 C ARG A 10 0.689 -2.854 -10.505 1.00 0.00 C ATOM 100 O ARG A 10 0.632 -2.629 -9.295 1.00 0.00 O ATOM 101 CB ARG A 10 -1.764 -2.590 -10.916 1.00 0.00 C ATOM 102 CG ARG A 10 -1.768 -1.203 -11.536 1.00 0.00 C ATOM 103 CD ARG A 10 -2.648 -0.244 -10.751 1.00 0.00 C ATOM 104 NE ARG A 10 -4.064 -0.415 -11.068 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.591 -0.132 -12.254 1.00 0.00 C ATOM 106 NH1 ARG A 10 -3.824 0.333 -13.230 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.888 -0.315 -12.465 1.00 0.00 N ATOM 0 H ARG A 10 -0.879 -4.999 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.324 -3.338 -12.325 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.648 -3.132 -11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.842 -2.495 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.749 -0.817 -11.572 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.123 -1.264 -12.565 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.494 -0.402 -9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.349 0.782 -10.968 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.682 -0.771 -10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.826 0.474 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.231 0.549 -14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.481 -0.673 -11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.292 -0.098 -13.376 1.00 0.00 H new ATOM 121 N LEU A 11 1.780 -2.636 -11.230 1.00 0.00 N ATOM 122 CA LEU A 11 3.002 -2.107 -10.634 1.00 0.00 C ATOM 123 C LEU A 11 2.811 -0.659 -10.195 1.00 0.00 C ATOM 124 O LEU A 11 2.663 0.238 -11.026 1.00 0.00 O ATOM 125 CB LEU A 11 4.161 -2.202 -11.628 1.00 0.00 C ATOM 126 CG LEU A 11 5.564 -2.042 -11.042 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.684 -0.720 -10.299 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.892 -3.206 -10.118 1.00 0.00 C ATOM 0 H LEU A 11 1.844 -2.817 -12.232 1.00 0.00 H new ATOM 0 HA LEU A 11 3.236 -2.706 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.106 -3.169 -12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.020 -1.439 -12.394 1.00 0.00 H new ATOM 0 HG LEU A 11 6.282 -2.041 -11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.689 -0.623 -9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.492 0.103 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.957 -0.691 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.894 -3.075 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.170 -3.238 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.847 -4.140 -10.679 1.00 0.00 H new ATOM 140 N CYS A 12 2.818 -0.438 -8.885 1.00 0.00 N ATOM 141 CA CYS A 12 2.646 0.902 -8.335 1.00 0.00 C ATOM 142 C CYS A 12 3.993 1.514 -7.964 1.00 0.00 C ATOM 143 O CYS A 12 4.577 1.176 -6.934 1.00 0.00 O ATOM 144 CB CYS A 12 1.736 0.860 -7.107 1.00 0.00 C ATOM 145 SG CYS A 12 0.124 0.099 -7.409 1.00 0.00 S ATOM 0 H CYS A 12 2.941 -1.169 -8.184 1.00 0.00 H new ATOM 0 HA CYS A 12 2.182 1.525 -9.100 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.241 0.312 -6.312 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.584 1.877 -6.746 1.00 0.00 H new ATOM 0 HG CYS A 12 0.274 -0.953 -8.158 1.00 0.00 H new ATOM 151 N TYR A 13 4.481 2.414 -8.810 1.00 0.00 N ATOM 152 CA TYR A 13 5.762 3.070 -8.573 1.00 0.00 C ATOM 153 C TYR A 13 5.587 4.306 -7.696 1.00 0.00 C ATOM 154 O TYR A 13 5.147 5.357 -8.165 1.00 0.00 O ATOM 155 CB TYR A 13 6.412 3.461 -9.902 1.00 0.00 C ATOM 156 CG TYR A 13 7.922 3.401 -9.877 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.591 2.190 -10.008 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.681 4.555 -9.724 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.971 2.130 -9.986 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.061 4.504 -9.702 1.00 0.00 C ATOM 161 CZ TYR A 13 10.702 3.290 -9.833 1.00 0.00 C ATOM 162 OH TYR A 13 12.076 3.235 -9.810 1.00 0.00 O ATOM 0 H TYR A 13 4.009 2.706 -9.666 1.00 0.00 H new ATOM 0 HA TYR A 13 6.411 2.366 -8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.043 2.799 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.101 4.472 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.022 1.280 -10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.183 5.508 -9.621 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.475 1.180 -10.088 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.636 5.411 -9.583 1.00 0.00 H new ATOM 0 HH TYR A 13 12.438 4.139 -9.696 1.00 0.00 H new ATOM 172 N LEU A 14 5.935 4.173 -6.421 1.00 0.00 N ATOM 173 CA LEU A 14 5.818 5.279 -5.477 1.00 0.00 C ATOM 174 C LEU A 14 7.055 6.170 -5.526 1.00 0.00 C ATOM 175 O LEU A 14 8.172 5.690 -5.718 1.00 0.00 O ATOM 176 CB LEU A 14 5.617 4.744 -4.058 1.00 0.00 C ATOM 177 CG LEU A 14 4.176 4.422 -3.660 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.407 5.699 -3.360 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.485 3.626 -4.758 1.00 0.00 C ATOM 0 H LEU A 14 6.300 3.311 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 14 4.951 5.876 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.215 3.840 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.012 5.478 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 14 4.196 3.814 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.384 5.450 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.890 6.230 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.395 6.333 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.461 3.406 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.476 4.209 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.023 2.693 -4.924 1.00 0.00 H new ATOM 191 N VAL A 15 6.848 7.471 -5.349 1.00 0.00 N ATOM 192 CA VAL A 15 7.946 8.430 -5.369 1.00 0.00 C ATOM 193 C VAL A 15 7.711 9.557 -4.370 1.00 0.00 C ATOM 194 O VAL A 15 6.812 10.380 -4.546 1.00 0.00 O ATOM 195 CB VAL A 15 8.137 9.034 -6.773 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.062 10.240 -6.714 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.675 7.986 -7.735 1.00 0.00 C ATOM 0 H VAL A 15 5.930 7.885 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 15 8.848 7.885 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 15 7.167 9.368 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.185 10.653 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.631 10.997 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.034 9.935 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.804 8.430 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.636 7.620 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.971 7.156 -7.800 1.00 0.00 H new ATOM 207 N LYS A 16 8.524 9.589 -3.320 1.00 0.00 N ATOM 208 CA LYS A 16 8.407 10.616 -2.292 1.00 0.00 C ATOM 209 C LYS A 16 8.212 11.993 -2.918 1.00 0.00 C ATOM 210 O LYS A 16 9.148 12.571 -3.470 1.00 0.00 O ATOM 211 CB LYS A 16 9.652 10.620 -1.402 1.00 0.00 C ATOM 212 CG LYS A 16 9.772 9.390 -0.518 1.00 0.00 C ATOM 213 CD LYS A 16 11.109 9.350 0.203 1.00 0.00 C ATOM 214 CE LYS A 16 11.036 10.051 1.551 1.00 0.00 C ATOM 215 NZ LYS A 16 12.346 10.644 1.939 1.00 0.00 N ATOM 0 H LYS A 16 9.272 8.915 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 16 7.533 10.387 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.539 10.692 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.635 11.509 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.963 9.386 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.658 8.492 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.415 8.314 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.871 9.825 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.280 10.835 1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.719 9.340 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.255 11.112 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.062 9.893 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.637 11.342 1.224 1.00 0.00 H new ATOM 229 N GLU A 17 6.992 12.513 -2.826 1.00 0.00 N ATOM 230 CA GLU A 17 6.677 13.823 -3.384 1.00 0.00 C ATOM 231 C GLU A 17 6.596 14.877 -2.284 1.00 0.00 C ATOM 232 O GLU A 17 7.369 15.835 -2.268 1.00 0.00 O ATOM 233 CB GLU A 17 5.355 13.770 -4.152 1.00 0.00 C ATOM 234 CG GLU A 17 4.833 15.137 -4.561 1.00 0.00 C ATOM 235 CD GLU A 17 5.446 15.631 -5.858 1.00 0.00 C ATOM 236 OE1 GLU A 17 6.682 15.802 -5.903 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.688 15.847 -6.827 1.00 0.00 O ATOM 0 H GLU A 17 6.207 12.048 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 17 7.477 14.099 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.488 13.159 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.606 13.274 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.749 15.090 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.043 15.854 -3.768 1.00 0.00 H new ATOM 244 N GLY A 18 5.654 14.694 -1.364 1.00 0.00 N ATOM 245 CA GLY A 18 5.488 15.637 -0.273 1.00 0.00 C ATOM 246 C GLY A 18 5.567 14.971 1.086 1.00 0.00 C ATOM 247 O GLY A 18 4.851 14.007 1.355 1.00 0.00 O ATOM 0 H GLY A 18 5.002 13.909 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.257 16.407 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.525 16.138 -0.373 1.00 0.00 H new ATOM 251 N GLY A 19 6.441 15.485 1.946 1.00 0.00 N ATOM 252 CA GLY A 19 6.595 14.920 3.274 1.00 0.00 C ATOM 253 C GLY A 19 6.665 13.406 3.255 1.00 0.00 C ATOM 254 O GLY A 19 7.711 12.830 2.955 1.00 0.00 O ATOM 0 H GLY A 19 7.045 16.282 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.501 15.317 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.759 15.234 3.898 1.00 0.00 H new ATOM 258 N SER A 20 5.549 12.760 3.577 1.00 0.00 N ATOM 259 CA SER A 20 5.489 11.303 3.601 1.00 0.00 C ATOM 260 C SER A 20 4.608 10.776 2.472 1.00 0.00 C ATOM 261 O SER A 20 3.778 11.504 1.927 1.00 0.00 O ATOM 262 CB SER A 20 4.955 10.815 4.949 1.00 0.00 C ATOM 263 OG SER A 20 5.992 10.744 5.913 1.00 0.00 O ATOM 0 H SER A 20 4.674 13.222 3.825 1.00 0.00 H new ATOM 0 HA SER A 20 6.500 10.921 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.174 11.489 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.498 9.833 4.829 1.00 0.00 H new ATOM 0 HG SER A 20 5.625 10.431 6.766 1.00 0.00 H new ATOM 269 N TYR A 21 4.796 9.508 2.126 1.00 0.00 N ATOM 270 CA TYR A 21 4.022 8.883 1.060 1.00 0.00 C ATOM 271 C TYR A 21 2.525 9.043 1.310 1.00 0.00 C ATOM 272 O TYR A 21 2.109 9.701 2.262 1.00 0.00 O ATOM 273 CB TYR A 21 4.376 7.400 0.946 1.00 0.00 C ATOM 274 CG TYR A 21 5.834 7.147 0.637 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.770 7.023 1.657 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.277 7.032 -0.675 1.00 0.00 C ATOM 277 CE1 TYR A 21 8.103 6.794 1.379 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.608 6.801 -0.962 1.00 0.00 C ATOM 279 CZ TYR A 21 8.518 6.683 0.068 1.00 0.00 C ATOM 280 OH TYR A 21 9.845 6.453 -0.213 1.00 0.00 O ATOM 0 H TYR A 21 5.478 8.892 2.568 1.00 0.00 H new ATOM 0 HA TYR A 21 4.272 9.381 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.120 6.901 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.764 6.948 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.449 7.107 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.568 7.125 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.817 6.702 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.935 6.713 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 21 9.981 6.464 -1.184 1.00 0.00 H new ATOM 290 N GLY A 22 1.719 8.433 0.445 1.00 0.00 N ATOM 291 CA GLY A 22 0.278 8.518 0.588 1.00 0.00 C ATOM 292 C GLY A 22 -0.361 7.165 0.833 1.00 0.00 C ATOM 293 O GLY A 22 -1.486 6.915 0.400 1.00 0.00 O ATOM 0 H GLY A 22 2.039 7.882 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.037 9.185 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.148 8.960 -0.313 1.00 0.00 H new ATOM 297 N PHE A 23 0.358 6.290 1.528 1.00 0.00 N ATOM 298 CA PHE A 23 -0.145 4.954 1.828 1.00 0.00 C ATOM 299 C PHE A 23 0.330 4.490 3.202 1.00 0.00 C ATOM 300 O PHE A 23 1.415 4.858 3.652 1.00 0.00 O ATOM 301 CB PHE A 23 0.312 3.962 0.756 1.00 0.00 C ATOM 302 CG PHE A 23 1.801 3.769 0.713 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.420 2.864 1.560 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.582 4.493 -0.173 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.790 2.683 1.523 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.952 4.317 -0.215 1.00 0.00 C ATOM 307 CZ PHE A 23 4.557 3.412 0.635 1.00 0.00 C ATOM 0 H PHE A 23 1.291 6.482 1.894 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.234 4.996 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.166 2.999 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.029 4.310 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.825 2.293 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.115 5.203 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.260 1.973 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.549 4.887 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.628 3.275 0.605 1.00 0.00 H new ATOM 317 N SER A 24 -0.491 3.681 3.863 1.00 0.00 N ATOM 318 CA SER A 24 -0.159 3.170 5.187 1.00 0.00 C ATOM 319 C SER A 24 -0.121 1.644 5.187 1.00 0.00 C ATOM 320 O SER A 24 -0.702 0.997 4.314 1.00 0.00 O ATOM 321 CB SER A 24 -1.174 3.666 6.218 1.00 0.00 C ATOM 322 OG SER A 24 -1.117 5.076 6.353 1.00 0.00 O ATOM 0 H SER A 24 -1.392 3.365 3.503 1.00 0.00 H new ATOM 0 HA SER A 24 0.830 3.541 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.178 3.367 5.917 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.977 3.197 7.182 1.00 0.00 H new ATOM 0 HG SER A 24 -1.777 5.368 7.016 1.00 0.00 H new ATOM 328 N LEU A 25 0.566 1.076 6.171 1.00 0.00 N ATOM 329 CA LEU A 25 0.681 -0.374 6.287 1.00 0.00 C ATOM 330 C LEU A 25 0.309 -0.840 7.691 1.00 0.00 C ATOM 331 O LEU A 25 0.831 -0.333 8.684 1.00 0.00 O ATOM 332 CB LEU A 25 2.104 -0.821 5.949 1.00 0.00 C ATOM 333 CG LEU A 25 2.740 -0.166 4.723 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.242 -0.407 4.708 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.102 -0.691 3.445 1.00 0.00 C ATOM 0 H LEU A 25 1.052 1.597 6.901 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.013 -0.826 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.740 -0.624 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.098 -1.900 5.797 1.00 0.00 H new ATOM 0 HG LEU A 25 2.565 0.908 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.678 0.066 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.688 0.018 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.438 -1.479 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.568 -0.213 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.245 -1.770 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.035 -0.466 3.452 1.00 0.00 H new ATOM 347 N LYS A 26 -0.597 -1.809 7.766 1.00 0.00 N ATOM 348 CA LYS A 26 -1.037 -2.347 9.048 1.00 0.00 C ATOM 349 C LYS A 26 -1.002 -3.872 9.039 1.00 0.00 C ATOM 350 O LYS A 26 -1.288 -4.505 8.022 1.00 0.00 O ATOM 351 CB LYS A 26 -2.453 -1.861 9.369 1.00 0.00 C ATOM 352 CG LYS A 26 -3.532 -2.551 8.552 1.00 0.00 C ATOM 353 CD LYS A 26 -4.922 -2.193 9.050 1.00 0.00 C ATOM 354 CE LYS A 26 -5.952 -3.228 8.622 1.00 0.00 C ATOM 355 NZ LYS A 26 -5.973 -4.401 9.538 1.00 0.00 N ATOM 0 H LYS A 26 -1.041 -2.238 6.954 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.353 -1.990 9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.652 -2.022 10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.508 -0.786 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.435 -2.266 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.393 -3.631 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.912 -2.117 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.207 -1.214 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.940 -2.768 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.731 -3.563 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.413 -5.210 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.000 -4.647 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.521 -4.166 10.390 1.00 0.00 H new ATOM 369 N THR A 27 -0.650 -4.458 10.179 1.00 0.00 N ATOM 370 CA THR A 27 -0.577 -5.908 10.303 1.00 0.00 C ATOM 371 C THR A 27 -1.871 -6.477 10.873 1.00 0.00 C ATOM 372 O THR A 27 -2.502 -5.868 11.737 1.00 0.00 O ATOM 373 CB THR A 27 0.598 -6.337 11.201 1.00 0.00 C ATOM 374 OG1 THR A 27 0.539 -5.641 12.451 1.00 0.00 O ATOM 375 CG2 THR A 27 1.930 -6.056 10.522 1.00 0.00 C ATOM 0 H THR A 27 -0.411 -3.950 11.030 1.00 0.00 H new ATOM 0 HA THR A 27 -0.420 -6.303 9.299 1.00 0.00 H new ATOM 0 HB THR A 27 0.517 -7.410 11.378 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.289 -5.921 13.017 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.745 -6.368 11.176 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.985 -6.610 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.016 -4.989 10.318 1.00 0.00 H new ATOM 383 N VAL A 28 -2.263 -7.649 10.383 1.00 0.00 N ATOM 384 CA VAL A 28 -3.482 -8.302 10.846 1.00 0.00 C ATOM 385 C VAL A 28 -3.162 -9.543 11.670 1.00 0.00 C ATOM 386 O VAL A 28 -2.116 -10.167 11.491 1.00 0.00 O ATOM 387 CB VAL A 28 -4.387 -8.702 9.665 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.760 -9.125 10.164 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.501 -7.557 8.670 1.00 0.00 C ATOM 0 H VAL A 28 -1.754 -8.166 9.666 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.010 -7.581 11.471 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.935 -9.552 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.385 -9.404 9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.656 -9.978 10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.224 -8.297 10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.144 -7.857 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.930 -6.686 9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.511 -7.307 8.288 1.00 0.00 H new ATOM 399 N GLN A 29 -4.070 -9.897 12.574 1.00 0.00 N ATOM 400 CA GLN A 29 -3.884 -11.065 13.427 1.00 0.00 C ATOM 401 C GLN A 29 -4.278 -12.343 12.693 1.00 0.00 C ATOM 402 O GLN A 29 -5.392 -12.840 12.846 1.00 0.00 O ATOM 403 CB GLN A 29 -4.709 -10.924 14.708 1.00 0.00 C ATOM 404 CG GLN A 29 -4.230 -11.817 15.841 1.00 0.00 C ATOM 405 CD GLN A 29 -2.791 -11.544 16.231 1.00 0.00 C ATOM 406 OE1 GLN A 29 -2.521 -10.759 17.141 1.00 0.00 O ATOM 407 NE2 GLN A 29 -1.857 -12.192 15.545 1.00 0.00 N ATOM 0 H GLN A 29 -4.941 -9.392 12.735 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.828 -11.128 13.688 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.679 -9.885 15.037 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.750 -11.158 14.487 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.872 -11.671 16.710 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.330 -12.861 15.543 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.125 -12.833 14.799 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.871 -12.048 15.764 1.00 0.00 H new ATOM 416 N GLY A 30 -3.354 -12.870 11.895 1.00 0.00 N ATOM 417 CA GLY A 30 -3.623 -14.085 11.150 1.00 0.00 C ATOM 418 C GLY A 30 -3.120 -14.013 9.722 1.00 0.00 C ATOM 419 O GLY A 30 -2.761 -15.031 9.129 1.00 0.00 O ATOM 0 H GLY A 30 -2.424 -12.477 11.752 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.153 -14.929 11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.696 -14.274 11.145 1.00 0.00 H new ATOM 423 N LYS A 31 -3.094 -12.806 9.166 1.00 0.00 N ATOM 424 CA LYS A 31 -2.631 -12.604 7.798 1.00 0.00 C ATOM 425 C LYS A 31 -1.113 -12.723 7.714 1.00 0.00 C ATOM 426 O LYS A 31 -0.449 -13.036 8.702 1.00 0.00 O ATOM 427 CB LYS A 31 -3.075 -11.231 7.286 1.00 0.00 C ATOM 428 CG LYS A 31 -4.582 -11.045 7.272 1.00 0.00 C ATOM 429 CD LYS A 31 -5.187 -11.488 5.950 1.00 0.00 C ATOM 430 CE LYS A 31 -6.576 -10.903 5.749 1.00 0.00 C ATOM 431 NZ LYS A 31 -7.636 -11.789 6.306 1.00 0.00 N ATOM 0 H LYS A 31 -3.388 -11.953 9.642 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.073 -13.379 7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.628 -10.458 7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.690 -11.087 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.027 -11.616 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.822 -9.997 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.539 -11.179 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.242 -12.576 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.631 -9.925 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.754 -10.748 4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.568 -11.356 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.600 -12.714 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.481 -11.917 7.326 1.00 0.00 H new ATOM 445 N LYS A 32 -0.569 -12.471 6.528 1.00 0.00 N ATOM 446 CA LYS A 32 0.871 -12.547 6.314 1.00 0.00 C ATOM 447 C LYS A 32 1.429 -11.196 5.877 1.00 0.00 C ATOM 448 O LYS A 32 0.711 -10.370 5.317 1.00 0.00 O ATOM 449 CB LYS A 32 1.196 -13.610 5.262 1.00 0.00 C ATOM 450 CG LYS A 32 0.679 -13.270 3.875 1.00 0.00 C ATOM 451 CD LYS A 32 1.395 -14.072 2.801 1.00 0.00 C ATOM 452 CE LYS A 32 0.790 -15.459 2.645 1.00 0.00 C ATOM 453 NZ LYS A 32 -0.315 -15.474 1.647 1.00 0.00 N ATOM 0 H LYS A 32 -1.105 -12.212 5.700 1.00 0.00 H new ATOM 0 HA LYS A 32 1.339 -12.825 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.277 -13.744 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.770 -14.563 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.392 -13.469 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.814 -12.205 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.339 -13.541 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.451 -14.161 3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.566 -16.161 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.413 -15.801 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.700 -16.437 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.067 -14.823 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.049 -15.172 0.721 1.00 0.00 H new ATOM 467 N GLY A 33 2.715 -10.980 6.136 1.00 0.00 N ATOM 468 CA GLY A 33 3.347 -9.729 5.761 1.00 0.00 C ATOM 469 C GLY A 33 2.456 -8.529 6.018 1.00 0.00 C ATOM 470 O GLY A 33 1.856 -8.410 7.086 1.00 0.00 O ATOM 0 H GLY A 33 3.330 -11.649 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.276 -9.614 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.611 -9.762 4.704 1.00 0.00 H new ATOM 474 N VAL A 34 2.369 -7.637 5.036 1.00 0.00 N ATOM 475 CA VAL A 34 1.546 -6.441 5.161 1.00 0.00 C ATOM 476 C VAL A 34 0.880 -6.091 3.835 1.00 0.00 C ATOM 477 O VAL A 34 1.214 -6.655 2.792 1.00 0.00 O ATOM 478 CB VAL A 34 2.376 -5.235 5.639 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.567 -5.283 7.147 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.719 -5.196 4.925 1.00 0.00 C ATOM 0 H VAL A 34 2.859 -7.721 4.145 1.00 0.00 H new ATOM 0 HA VAL A 34 0.779 -6.662 5.903 1.00 0.00 H new ATOM 0 HB VAL A 34 1.833 -4.322 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.156 -4.423 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.594 -5.259 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.088 -6.201 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.292 -4.338 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.271 -6.112 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.557 -5.111 3.850 1.00 0.00 H new ATOM 490 N TYR A 35 -0.064 -5.158 3.881 1.00 0.00 N ATOM 491 CA TYR A 35 -0.779 -4.734 2.683 1.00 0.00 C ATOM 492 C TYR A 35 -1.360 -3.334 2.862 1.00 0.00 C ATOM 493 O TYR A 35 -1.799 -2.967 3.951 1.00 0.00 O ATOM 494 CB TYR A 35 -1.897 -5.724 2.354 1.00 0.00 C ATOM 495 CG TYR A 35 -3.042 -5.694 3.340 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.864 -4.579 3.447 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.303 -6.782 4.165 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.911 -4.548 4.348 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.348 -6.759 5.067 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.149 -5.640 5.155 1.00 0.00 C ATOM 501 OH TYR A 35 -6.192 -5.613 6.053 1.00 0.00 O ATOM 0 H TYR A 35 -0.352 -4.681 4.735 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.069 -4.710 1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.281 -5.507 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.481 -6.731 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.682 -3.722 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.678 -7.660 4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.540 -3.673 4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.537 -7.613 5.700 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.223 -6.461 6.544 1.00 0.00 H new ATOM 511 N MET A 36 -1.358 -2.558 1.783 1.00 0.00 N ATOM 512 CA MET A 36 -1.887 -1.199 1.820 1.00 0.00 C ATOM 513 C MET A 36 -3.324 -1.188 2.332 1.00 0.00 C ATOM 514 O MET A 36 -4.195 -1.865 1.784 1.00 0.00 O ATOM 515 CB MET A 36 -1.825 -0.567 0.428 1.00 0.00 C ATOM 516 CG MET A 36 -0.443 -0.621 -0.203 1.00 0.00 C ATOM 517 SD MET A 36 0.699 0.570 0.524 1.00 0.00 S ATOM 518 CE MET A 36 2.216 0.150 -0.331 1.00 0.00 C ATOM 0 H MET A 36 -0.997 -2.846 0.874 1.00 0.00 H new ATOM 0 HA MET A 36 -1.272 -0.615 2.505 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.534 -1.076 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.144 0.473 0.496 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.035 -1.625 -0.090 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.529 -0.430 -1.273 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.883 -0.380 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.988 -0.488 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.702 1.062 -0.679 1.00 0.00 H new ATOM 528 N THR A 37 -3.566 -0.416 3.387 1.00 0.00 N ATOM 529 CA THR A 37 -4.896 -0.318 3.974 1.00 0.00 C ATOM 530 C THR A 37 -5.477 1.079 3.789 1.00 0.00 C ATOM 531 O THR A 37 -6.671 1.236 3.531 1.00 0.00 O ATOM 532 CB THR A 37 -4.874 -0.659 5.476 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.158 -0.400 6.056 1.00 0.00 O ATOM 534 CG2 THR A 37 -3.812 0.154 6.199 1.00 0.00 C ATOM 0 H THR A 37 -2.857 0.151 3.852 1.00 0.00 H new ATOM 0 HA THR A 37 -5.525 -1.041 3.455 1.00 0.00 H new ATOM 0 HB THR A 37 -4.635 -1.717 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.048 -0.151 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.815 -0.104 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.833 -0.067 5.774 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.026 1.217 6.083 1.00 0.00 H new ATOM 542 N ASP A 38 -4.627 2.090 3.924 1.00 0.00 N ATOM 543 CA ASP A 38 -5.056 3.476 3.770 1.00 0.00 C ATOM 544 C ASP A 38 -4.395 4.118 2.555 1.00 0.00 C ATOM 545 O ASP A 38 -3.173 4.259 2.503 1.00 0.00 O ATOM 546 CB ASP A 38 -4.724 4.277 5.030 1.00 0.00 C ATOM 547 CG ASP A 38 -5.508 5.572 5.116 1.00 0.00 C ATOM 548 OD1 ASP A 38 -6.637 5.547 5.649 1.00 0.00 O ATOM 549 OD2 ASP A 38 -4.994 6.610 4.649 1.00 0.00 O ATOM 0 H ASP A 38 -3.637 1.977 4.140 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.135 3.482 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.935 3.669 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.657 4.500 5.045 1.00 0.00 H new ATOM 554 N ILE A 39 -5.211 4.504 1.579 1.00 0.00 N ATOM 555 CA ILE A 39 -4.705 5.131 0.364 1.00 0.00 C ATOM 556 C ILE A 39 -5.175 6.577 0.256 1.00 0.00 C ATOM 557 O ILE A 39 -6.219 6.860 -0.333 1.00 0.00 O ATOM 558 CB ILE A 39 -5.150 4.362 -0.893 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.743 2.890 -0.789 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.553 4.995 -2.141 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.246 2.679 -0.751 1.00 0.00 C ATOM 0 H ILE A 39 -6.225 4.393 1.606 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.617 5.109 0.426 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.236 4.415 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.185 2.462 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.157 2.346 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.877 4.440 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.888 6.029 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.465 4.970 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.031 1.613 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.799 3.077 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.828 3.195 0.113 1.00 0.00 H new ATOM 573 N THR A 40 -4.396 7.491 0.826 1.00 0.00 N ATOM 574 CA THR A 40 -4.731 8.909 0.793 1.00 0.00 C ATOM 575 C THR A 40 -5.295 9.309 -0.566 1.00 0.00 C ATOM 576 O THR A 40 -4.755 8.960 -1.616 1.00 0.00 O ATOM 577 CB THR A 40 -3.503 9.785 1.104 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.870 9.330 2.305 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.903 11.244 1.257 1.00 0.00 C ATOM 0 H THR A 40 -3.528 7.274 1.316 1.00 0.00 H new ATOM 0 HA THR A 40 -5.488 9.072 1.560 1.00 0.00 H new ATOM 0 HB THR A 40 -2.805 9.703 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.089 9.890 2.496 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.019 11.843 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.359 11.595 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.619 11.341 2.073 1.00 0.00 H new ATOM 587 N PRO A 41 -6.406 10.061 -0.549 1.00 0.00 N ATOM 588 CA PRO A 41 -7.066 10.526 -1.773 1.00 0.00 C ATOM 589 C PRO A 41 -6.246 11.580 -2.508 1.00 0.00 C ATOM 590 O PRO A 41 -5.758 12.533 -1.902 1.00 0.00 O ATOM 591 CB PRO A 41 -8.377 11.128 -1.262 1.00 0.00 C ATOM 592 CG PRO A 41 -8.089 11.523 0.145 1.00 0.00 C ATOM 593 CD PRO A 41 -7.103 10.514 0.666 1.00 0.00 C ATOM 0 HA PRO A 41 -7.204 9.720 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.678 11.988 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.191 10.404 -1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.677 12.531 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.000 11.524 0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.413 10.959 1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.602 9.689 1.174 1.00 0.00 H new ATOM 601 N GLN A 42 -6.100 11.403 -3.817 1.00 0.00 N ATOM 602 CA GLN A 42 -5.338 12.340 -4.635 1.00 0.00 C ATOM 603 C GLN A 42 -3.976 12.623 -4.012 1.00 0.00 C ATOM 604 O GLN A 42 -3.517 13.765 -3.989 1.00 0.00 O ATOM 605 CB GLN A 42 -6.115 13.647 -4.807 1.00 0.00 C ATOM 606 CG GLN A 42 -5.666 14.468 -6.004 1.00 0.00 C ATOM 607 CD GLN A 42 -6.708 15.478 -6.444 1.00 0.00 C ATOM 608 OE1 GLN A 42 -7.299 15.350 -7.516 1.00 0.00 O ATOM 609 NE2 GLN A 42 -6.939 16.490 -5.615 1.00 0.00 N ATOM 0 H GLN A 42 -6.499 10.620 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.182 11.886 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.176 13.418 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.005 14.247 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.742 14.990 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.441 13.799 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.426 16.557 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.630 17.200 -5.857 1.00 0.00 H new ATOM 618 N GLY A 43 -3.332 11.575 -3.506 1.00 0.00 N ATOM 619 CA GLY A 43 -2.028 11.733 -2.889 1.00 0.00 C ATOM 620 C GLY A 43 -0.951 10.936 -3.599 1.00 0.00 C ATOM 621 O GLY A 43 -1.168 10.427 -4.698 1.00 0.00 O ATOM 0 H GLY A 43 -3.690 10.620 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.755 12.788 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.082 11.418 -1.847 1.00 0.00 H new ATOM 625 N VAL A 44 0.215 10.829 -2.969 1.00 0.00 N ATOM 626 CA VAL A 44 1.331 10.089 -3.547 1.00 0.00 C ATOM 627 C VAL A 44 0.914 8.672 -3.925 1.00 0.00 C ATOM 628 O VAL A 44 1.326 8.148 -4.959 1.00 0.00 O ATOM 629 CB VAL A 44 2.522 10.020 -2.574 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.532 8.982 -3.040 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.176 11.386 -2.434 1.00 0.00 C ATOM 0 H VAL A 44 0.411 11.245 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 44 1.636 10.626 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 44 2.151 9.718 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.367 8.947 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.054 8.003 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.900 9.251 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.016 11.318 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.534 11.720 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.448 12.101 -2.051 1.00 0.00 H new ATOM 641 N ALA A 45 0.093 8.058 -3.080 1.00 0.00 N ATOM 642 CA ALA A 45 -0.383 6.702 -3.326 1.00 0.00 C ATOM 643 C ALA A 45 -1.384 6.672 -4.476 1.00 0.00 C ATOM 644 O ALA A 45 -1.071 6.206 -5.571 1.00 0.00 O ATOM 645 CB ALA A 45 -1.008 6.125 -2.065 1.00 0.00 C ATOM 0 H ALA A 45 -0.257 8.478 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 45 0.473 6.089 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.359 5.112 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.265 6.102 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.849 6.747 -1.758 1.00 0.00 H new ATOM 651 N MET A 46 -2.589 7.171 -4.219 1.00 0.00 N ATOM 652 CA MET A 46 -3.635 7.201 -5.234 1.00 0.00 C ATOM 653 C MET A 46 -3.073 7.641 -6.582 1.00 0.00 C ATOM 654 O MET A 46 -3.550 7.214 -7.634 1.00 0.00 O ATOM 655 CB MET A 46 -4.763 8.142 -4.807 1.00 0.00 C ATOM 656 CG MET A 46 -6.069 7.901 -5.547 1.00 0.00 C ATOM 657 SD MET A 46 -6.656 6.204 -5.386 1.00 0.00 S ATOM 658 CE MET A 46 -8.220 6.464 -4.554 1.00 0.00 C ATOM 0 H MET A 46 -2.865 7.560 -3.317 1.00 0.00 H new ATOM 0 HA MET A 46 -4.033 6.192 -5.339 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.935 8.027 -3.737 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.447 9.172 -4.971 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.829 8.582 -5.165 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.932 8.135 -6.603 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.706 5.503 -4.383 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.046 6.957 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.862 7.090 -5.174 1.00 0.00 H new ATOM 668 N ARG A 47 -2.058 8.498 -6.543 1.00 0.00 N ATOM 669 CA ARG A 47 -1.432 8.997 -7.762 1.00 0.00 C ATOM 670 C ARG A 47 -0.660 7.888 -8.470 1.00 0.00 C ATOM 671 O ARG A 47 -0.726 7.755 -9.692 1.00 0.00 O ATOM 672 CB ARG A 47 -0.493 10.161 -7.439 1.00 0.00 C ATOM 673 CG ARG A 47 -1.202 11.499 -7.313 1.00 0.00 C ATOM 674 CD ARG A 47 -1.323 12.194 -8.660 1.00 0.00 C ATOM 675 NE ARG A 47 -2.058 13.452 -8.563 1.00 0.00 N ATOM 676 CZ ARG A 47 -3.384 13.527 -8.519 1.00 0.00 C ATOM 677 NH1 ARG A 47 -4.116 12.423 -8.564 1.00 0.00 N ATOM 678 NH2 ARG A 47 -3.980 14.709 -8.430 1.00 0.00 N ATOM 0 H ARG A 47 -1.652 8.861 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.220 9.349 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.029 9.947 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.264 10.233 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.195 11.347 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.655 12.138 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.327 12.386 -9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.827 11.533 -9.365 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.524 14.321 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.662 11.512 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.134 12.484 -8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.420 15.561 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.998 14.766 -8.396 1.00 0.00 H new ATOM 692 N ALA A 48 0.071 7.094 -7.695 1.00 0.00 N ATOM 693 CA ALA A 48 0.854 5.996 -8.247 1.00 0.00 C ATOM 694 C ALA A 48 -0.048 4.946 -8.886 1.00 0.00 C ATOM 695 O ALA A 48 0.408 4.118 -9.674 1.00 0.00 O ATOM 696 CB ALA A 48 1.717 5.366 -7.164 1.00 0.00 C ATOM 0 H ALA A 48 0.137 7.191 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 48 1.504 6.400 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.296 4.547 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.395 6.116 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.079 4.983 -6.368 1.00 0.00 H new ATOM 702 N GLY A 49 -1.331 4.985 -8.540 1.00 0.00 N ATOM 703 CA GLY A 49 -2.277 4.030 -9.089 1.00 0.00 C ATOM 704 C GLY A 49 -2.435 2.802 -8.214 1.00 0.00 C ATOM 705 O GLY A 49 -2.628 1.695 -8.715 1.00 0.00 O ATOM 0 H GLY A 49 -1.732 5.660 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.247 4.513 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.946 3.725 -10.082 1.00 0.00 H new ATOM 709 N VAL A 50 -2.350 2.997 -6.902 1.00 0.00 N ATOM 710 CA VAL A 50 -2.484 1.897 -5.955 1.00 0.00 C ATOM 711 C VAL A 50 -3.859 1.904 -5.296 1.00 0.00 C ATOM 712 O VAL A 50 -4.460 2.961 -5.098 1.00 0.00 O ATOM 713 CB VAL A 50 -1.402 1.963 -4.861 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.299 3.371 -4.295 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.697 0.956 -3.759 1.00 0.00 C ATOM 0 H VAL A 50 -2.189 3.907 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.361 0.974 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.442 1.707 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.529 3.398 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.037 4.066 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.257 3.660 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.923 1.016 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.666 1.179 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.714 -0.049 -4.180 1.00 0.00 H new ATOM 725 N LEU A 51 -4.352 0.718 -4.957 1.00 0.00 N ATOM 726 CA LEU A 51 -5.657 0.586 -4.318 1.00 0.00 C ATOM 727 C LEU A 51 -5.509 0.178 -2.856 1.00 0.00 C ATOM 728 O LEU A 51 -4.451 -0.288 -2.435 1.00 0.00 O ATOM 729 CB LEU A 51 -6.509 -0.443 -5.063 1.00 0.00 C ATOM 730 CG LEU A 51 -6.986 -0.036 -6.458 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.529 -1.242 -7.209 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.043 1.055 -6.363 1.00 0.00 C ATOM 0 H LEU A 51 -3.868 -0.166 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.153 1.556 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.934 -1.365 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.384 -0.670 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.134 0.358 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.864 -0.933 -8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.744 -1.992 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.369 -1.666 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.371 1.332 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.895 0.687 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.621 1.928 -5.865 1.00 0.00 H new ATOM 744 N ALA A 52 -6.578 0.355 -2.086 1.00 0.00 N ATOM 745 CA ALA A 52 -6.568 0.002 -0.672 1.00 0.00 C ATOM 746 C ALA A 52 -6.687 -1.507 -0.483 1.00 0.00 C ATOM 747 O ALA A 52 -7.028 -2.234 -1.416 1.00 0.00 O ATOM 748 CB ALA A 52 -7.695 0.717 0.058 1.00 0.00 C ATOM 0 H ALA A 52 -7.462 0.741 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.615 0.322 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.676 0.444 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.566 1.795 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.652 0.425 -0.375 1.00 0.00 H new ATOM 754 N ASP A 53 -6.403 -1.970 0.729 1.00 0.00 N ATOM 755 CA ASP A 53 -6.478 -3.393 1.041 1.00 0.00 C ATOM 756 C ASP A 53 -5.777 -4.222 -0.031 1.00 0.00 C ATOM 757 O ASP A 53 -6.145 -5.370 -0.280 1.00 0.00 O ATOM 758 CB ASP A 53 -7.937 -3.832 1.170 1.00 0.00 C ATOM 759 CG ASP A 53 -8.111 -4.983 2.141 1.00 0.00 C ATOM 760 OD1 ASP A 53 -7.325 -5.068 3.107 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.033 -5.800 1.934 1.00 0.00 O ATOM 0 H ASP A 53 -6.119 -1.381 1.512 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.971 -3.559 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.540 -2.987 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.313 -4.127 0.190 1.00 0.00 H new ATOM 766 N ASP A 54 -4.769 -3.632 -0.663 1.00 0.00 N ATOM 767 CA ASP A 54 -4.016 -4.316 -1.708 1.00 0.00 C ATOM 768 C ASP A 54 -2.897 -5.160 -1.108 1.00 0.00 C ATOM 769 O ASP A 54 -1.907 -4.629 -0.604 1.00 0.00 O ATOM 770 CB ASP A 54 -3.435 -3.302 -2.694 1.00 0.00 C ATOM 771 CG ASP A 54 -4.433 -2.893 -3.760 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.650 -3.020 -3.513 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.996 -2.448 -4.843 1.00 0.00 O ATOM 0 H ASP A 54 -4.454 -2.681 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.699 -4.978 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.107 -2.417 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.552 -3.728 -3.171 1.00 0.00 H new ATOM 778 N HIS A 55 -3.060 -6.478 -1.166 1.00 0.00 N ATOM 779 CA HIS A 55 -2.063 -7.397 -0.628 1.00 0.00 C ATOM 780 C HIS A 55 -0.685 -7.109 -1.217 1.00 0.00 C ATOM 781 O HIS A 55 -0.464 -7.278 -2.417 1.00 0.00 O ATOM 782 CB HIS A 55 -2.462 -8.844 -0.918 1.00 0.00 C ATOM 783 CG HIS A 55 -1.820 -9.838 0.000 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.259 -11.139 0.126 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.764 -9.716 0.837 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.502 -11.773 1.003 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.587 -10.932 1.449 1.00 0.00 N ATOM 0 H HIS A 55 -3.873 -6.934 -1.580 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.016 -7.251 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.545 -8.936 -0.839 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.195 -9.087 -1.947 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -3.045 -11.548 -0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.171 -8.827 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.613 -12.804 1.304 1.00 0.00 H new ATOM 796 N LEU A 56 0.237 -6.673 -0.367 1.00 0.00 N ATOM 797 CA LEU A 56 1.594 -6.360 -0.803 1.00 0.00 C ATOM 798 C LEU A 56 2.313 -7.616 -1.286 1.00 0.00 C ATOM 799 O LEU A 56 2.362 -8.625 -0.582 1.00 0.00 O ATOM 800 CB LEU A 56 2.382 -5.715 0.338 1.00 0.00 C ATOM 801 CG LEU A 56 3.402 -4.651 -0.069 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.758 -3.273 -0.086 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.598 -4.671 0.872 1.00 0.00 C ATOM 0 H LEU A 56 0.070 -6.528 0.629 1.00 0.00 H new ATOM 0 HA LEU A 56 1.529 -5.657 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.673 -5.264 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.905 -6.502 0.882 1.00 0.00 H new ATOM 0 HG LEU A 56 3.753 -4.878 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.499 -2.529 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.935 -3.265 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.378 -3.037 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.314 -3.907 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.264 -4.469 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.075 -5.651 0.834 1.00 0.00 H new ATOM 815 N ILE A 57 2.871 -7.545 -2.490 1.00 0.00 N ATOM 816 CA ILE A 57 3.591 -8.675 -3.065 1.00 0.00 C ATOM 817 C ILE A 57 5.090 -8.556 -2.816 1.00 0.00 C ATOM 818 O ILE A 57 5.723 -9.491 -2.328 1.00 0.00 O ATOM 819 CB ILE A 57 3.341 -8.788 -4.581 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.842 -8.903 -4.866 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.088 -9.984 -5.153 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.167 -10.022 -4.105 1.00 0.00 C ATOM 0 H ILE A 57 2.838 -6.718 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 57 3.214 -9.572 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 57 3.715 -7.885 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.359 -7.959 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.694 -9.060 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.902 -10.051 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.157 -9.863 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.741 -10.896 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.106 -10.044 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.624 -10.974 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.283 -9.856 -3.034 1.00 0.00 H new ATOM 834 N GLU A 58 5.651 -7.399 -3.153 1.00 0.00 N ATOM 835 CA GLU A 58 7.077 -7.158 -2.964 1.00 0.00 C ATOM 836 C GLU A 58 7.372 -5.662 -2.898 1.00 0.00 C ATOM 837 O GLU A 58 6.497 -4.834 -3.148 1.00 0.00 O ATOM 838 CB GLU A 58 7.879 -7.797 -4.099 1.00 0.00 C ATOM 839 CG GLU A 58 7.391 -7.408 -5.484 1.00 0.00 C ATOM 840 CD GLU A 58 8.239 -8.004 -6.591 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.222 -9.243 -6.750 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.920 -7.232 -7.298 1.00 0.00 O ATOM 0 H GLU A 58 5.140 -6.614 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 58 7.374 -7.611 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.926 -7.511 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.834 -8.881 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.359 -7.735 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.394 -6.322 -5.574 1.00 0.00 H new ATOM 849 N VAL A 59 8.611 -5.324 -2.557 1.00 0.00 N ATOM 850 CA VAL A 59 9.023 -3.929 -2.458 1.00 0.00 C ATOM 851 C VAL A 59 10.388 -3.712 -3.102 1.00 0.00 C ATOM 852 O VAL A 59 11.374 -4.341 -2.718 1.00 0.00 O ATOM 853 CB VAL A 59 9.080 -3.464 -0.991 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.620 -2.045 -0.901 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.705 -3.561 -0.348 1.00 0.00 C ATOM 0 H VAL A 59 9.347 -5.997 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 59 8.276 -3.340 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 59 9.758 -4.121 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.653 -1.734 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.625 -2.011 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.970 -1.372 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.764 -3.229 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.003 -2.929 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.361 -4.595 -0.378 1.00 0.00 H new ATOM 865 N ASN A 60 10.438 -2.817 -4.082 1.00 0.00 N ATOM 866 CA ASN A 60 11.683 -2.516 -4.780 1.00 0.00 C ATOM 867 C ASN A 60 12.310 -3.786 -5.347 1.00 0.00 C ATOM 868 O ASN A 60 13.524 -3.863 -5.532 1.00 0.00 O ATOM 869 CB ASN A 60 12.668 -1.826 -3.834 1.00 0.00 C ATOM 870 CG ASN A 60 12.133 -0.511 -3.301 1.00 0.00 C ATOM 871 OD1 ASN A 60 11.023 -0.449 -2.773 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.922 0.548 -3.438 1.00 0.00 N ATOM 0 H ASN A 60 9.631 -2.287 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 60 11.453 -1.845 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.891 -2.490 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.607 -1.647 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.615 1.460 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.835 0.450 -3.882 1.00 0.00 H new ATOM 879 N GLY A 61 11.472 -4.782 -5.619 1.00 0.00 N ATOM 880 CA GLY A 61 11.962 -6.036 -6.162 1.00 0.00 C ATOM 881 C GLY A 61 12.392 -7.007 -5.081 1.00 0.00 C ATOM 882 O GLY A 61 13.423 -7.668 -5.205 1.00 0.00 O ATOM 0 H GLY A 61 10.463 -4.743 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.182 -6.495 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.805 -5.837 -6.824 1.00 0.00 H new ATOM 886 N GLU A 62 11.600 -7.094 -4.016 1.00 0.00 N ATOM 887 CA GLU A 62 11.906 -7.990 -2.908 1.00 0.00 C ATOM 888 C GLU A 62 10.628 -8.551 -2.292 1.00 0.00 C ATOM 889 O GLU A 62 9.887 -7.837 -1.617 1.00 0.00 O ATOM 890 CB GLU A 62 12.721 -7.257 -1.840 1.00 0.00 C ATOM 891 CG GLU A 62 14.189 -7.095 -2.199 1.00 0.00 C ATOM 892 CD GLU A 62 15.054 -6.790 -0.992 1.00 0.00 C ATOM 893 OE1 GLU A 62 15.120 -7.640 -0.080 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.666 -5.701 -0.960 1.00 0.00 O ATOM 0 H GLU A 62 10.742 -6.555 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 62 12.495 -8.820 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.285 -6.272 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.644 -7.801 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.546 -8.008 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.294 -6.292 -2.929 1.00 0.00 H new ATOM 901 N ASN A 63 10.376 -9.834 -2.531 1.00 0.00 N ATOM 902 CA ASN A 63 9.186 -10.490 -2.001 1.00 0.00 C ATOM 903 C ASN A 63 9.039 -10.225 -0.506 1.00 0.00 C ATOM 904 O ASN A 63 9.853 -10.677 0.299 1.00 0.00 O ATOM 905 CB ASN A 63 9.253 -11.997 -2.259 1.00 0.00 C ATOM 906 CG ASN A 63 8.723 -12.373 -3.629 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.492 -12.612 -4.560 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.402 -12.428 -3.757 1.00 0.00 N ATOM 0 H ASN A 63 10.979 -10.440 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 63 8.316 -10.078 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.286 -12.333 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.679 -12.520 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.987 -12.676 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.803 -12.222 -2.957 1.00 0.00 H new ATOM 915 N VAL A 64 7.993 -9.489 -0.142 1.00 0.00 N ATOM 916 CA VAL A 64 7.737 -9.164 1.256 1.00 0.00 C ATOM 917 C VAL A 64 6.340 -9.605 1.676 1.00 0.00 C ATOM 918 O VAL A 64 5.814 -9.151 2.692 1.00 0.00 O ATOM 919 CB VAL A 64 7.887 -7.653 1.518 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.354 -7.254 1.519 1.00 0.00 C ATOM 921 CG2 VAL A 64 7.109 -6.854 0.483 1.00 0.00 C ATOM 0 H VAL A 64 7.310 -9.107 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 64 8.478 -9.703 1.847 1.00 0.00 H new ATOM 0 HB VAL A 64 7.474 -7.429 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.440 -6.184 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.880 -7.802 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.796 -7.490 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.226 -5.789 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.490 -7.080 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.053 -7.120 0.537 1.00 0.00 H new ATOM 931 N GLU A 65 5.744 -10.494 0.887 1.00 0.00 N ATOM 932 CA GLU A 65 4.406 -10.997 1.178 1.00 0.00 C ATOM 933 C GLU A 65 4.318 -11.513 2.611 1.00 0.00 C ATOM 934 O GLU A 65 3.281 -11.391 3.263 1.00 0.00 O ATOM 935 CB GLU A 65 4.033 -12.112 0.199 1.00 0.00 C ATOM 936 CG GLU A 65 3.593 -11.604 -1.164 1.00 0.00 C ATOM 937 CD GLU A 65 2.889 -12.668 -1.984 1.00 0.00 C ATOM 938 OE1 GLU A 65 1.849 -13.181 -1.521 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.378 -12.987 -3.087 1.00 0.00 O ATOM 0 H GLU A 65 6.166 -10.880 0.042 1.00 0.00 H new ATOM 0 HA GLU A 65 3.703 -10.172 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.890 -12.774 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.230 -12.710 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.926 -10.752 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.464 -11.245 -1.712 1.00 0.00 H new ATOM 946 N ASP A 66 5.413 -12.090 3.094 1.00 0.00 N ATOM 947 CA ASP A 66 5.461 -12.624 4.450 1.00 0.00 C ATOM 948 C ASP A 66 6.289 -11.723 5.360 1.00 0.00 C ATOM 949 O ASP A 66 6.154 -11.767 6.583 1.00 0.00 O ATOM 950 CB ASP A 66 6.045 -14.038 4.444 1.00 0.00 C ATOM 951 CG ASP A 66 6.559 -14.458 5.806 1.00 0.00 C ATOM 952 OD1 ASP A 66 5.740 -14.895 6.642 1.00 0.00 O ATOM 953 OD2 ASP A 66 7.782 -14.351 6.037 1.00 0.00 O ATOM 0 H ASP A 66 6.279 -12.200 2.567 1.00 0.00 H new ATOM 0 HA ASP A 66 4.442 -12.661 4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.281 -14.742 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.859 -14.089 3.720 1.00 0.00 H new ATOM 958 N ALA A 67 7.147 -10.907 4.756 1.00 0.00 N ATOM 959 CA ALA A 67 7.996 -9.995 5.512 1.00 0.00 C ATOM 960 C ALA A 67 7.181 -9.202 6.528 1.00 0.00 C ATOM 961 O ALA A 67 6.188 -8.563 6.180 1.00 0.00 O ATOM 962 CB ALA A 67 8.729 -9.052 4.569 1.00 0.00 C ATOM 0 H ALA A 67 7.272 -10.859 3.745 1.00 0.00 H new ATOM 0 HA ALA A 67 8.730 -10.589 6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.359 -8.376 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.350 -9.631 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.004 -8.472 3.998 1.00 0.00 H new ATOM 968 N SER A 68 7.608 -9.248 7.786 1.00 0.00 N ATOM 969 CA SER A 68 6.915 -8.537 8.854 1.00 0.00 C ATOM 970 C SER A 68 6.985 -7.028 8.637 1.00 0.00 C ATOM 971 O SER A 68 7.838 -6.534 7.900 1.00 0.00 O ATOM 972 CB SER A 68 7.521 -8.896 10.212 1.00 0.00 C ATOM 973 OG SER A 68 6.550 -8.816 11.242 1.00 0.00 O ATOM 0 H SER A 68 8.430 -9.770 8.090 1.00 0.00 H new ATOM 0 HA SER A 68 5.868 -8.841 8.839 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.933 -9.904 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.348 -8.221 10.434 1.00 0.00 H new ATOM 0 HG SER A 68 6.962 -9.052 12.099 1.00 0.00 H new ATOM 979 N HIS A 69 6.080 -6.301 9.285 1.00 0.00 N ATOM 980 CA HIS A 69 6.038 -4.848 9.164 1.00 0.00 C ATOM 981 C HIS A 69 7.424 -4.245 9.373 1.00 0.00 C ATOM 982 O HIS A 69 7.791 -3.270 8.719 1.00 0.00 O ATOM 983 CB HIS A 69 5.055 -4.259 10.176 1.00 0.00 C ATOM 984 CG HIS A 69 4.544 -2.903 9.796 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.463 -2.307 10.410 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.974 -2.026 8.859 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.249 -1.122 9.866 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.152 -0.927 8.923 1.00 0.00 N ATOM 0 H HIS A 69 5.366 -6.694 9.899 1.00 0.00 H new ATOM 0 HA HIS A 69 5.702 -4.602 8.157 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.210 -4.939 10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.543 -4.195 11.149 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.808 -2.164 8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.468 -0.430 10.145 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.227 -0.095 8.337 1.00 0.00 H new ATOM 997 N GLU A 70 8.188 -4.833 10.289 1.00 0.00 N ATOM 998 CA GLU A 70 9.532 -4.351 10.584 1.00 0.00 C ATOM 999 C GLU A 70 10.459 -4.558 9.390 1.00 0.00 C ATOM 1000 O GLU A 70 11.256 -3.684 9.051 1.00 0.00 O ATOM 1001 CB GLU A 70 10.097 -5.070 11.812 1.00 0.00 C ATOM 1002 CG GLU A 70 10.046 -6.585 11.707 1.00 0.00 C ATOM 1003 CD GLU A 70 10.859 -7.272 12.787 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.817 -6.653 13.294 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.535 -8.430 13.126 1.00 0.00 O ATOM 0 H GLU A 70 7.899 -5.642 10.838 1.00 0.00 H new ATOM 0 HA GLU A 70 9.469 -3.283 10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.131 -4.759 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.540 -4.756 12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.009 -6.915 11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.417 -6.890 10.729 1.00 0.00 H new ATOM 1012 N GLU A 71 10.347 -5.721 8.755 1.00 0.00 N ATOM 1013 CA GLU A 71 11.175 -6.043 7.599 1.00 0.00 C ATOM 1014 C GLU A 71 10.916 -5.067 6.455 1.00 0.00 C ATOM 1015 O GLU A 71 11.846 -4.615 5.787 1.00 0.00 O ATOM 1016 CB GLU A 71 10.906 -7.475 7.134 1.00 0.00 C ATOM 1017 CG GLU A 71 11.683 -8.524 7.910 1.00 0.00 C ATOM 1018 CD GLU A 71 13.059 -8.782 7.325 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.164 -9.618 6.404 1.00 0.00 O ATOM 1020 OE2 GLU A 71 14.029 -8.148 7.789 1.00 0.00 O ATOM 0 H GLU A 71 9.691 -6.455 9.022 1.00 0.00 H new ATOM 0 HA GLU A 71 12.220 -5.956 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.840 -7.683 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.157 -7.558 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.787 -8.201 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.117 -9.455 7.922 1.00 0.00 H new ATOM 1027 N VAL A 72 9.645 -4.746 6.236 1.00 0.00 N ATOM 1028 CA VAL A 72 9.261 -3.824 5.174 1.00 0.00 C ATOM 1029 C VAL A 72 9.552 -2.380 5.568 1.00 0.00 C ATOM 1030 O VAL A 72 10.400 -1.720 4.969 1.00 0.00 O ATOM 1031 CB VAL A 72 7.767 -3.959 4.825 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.361 -2.911 3.800 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.463 -5.360 4.317 1.00 0.00 C ATOM 0 H VAL A 72 8.863 -5.111 6.780 1.00 0.00 H new ATOM 0 HA VAL A 72 9.855 -4.085 4.298 1.00 0.00 H new ATOM 0 HB VAL A 72 7.184 -3.792 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.302 -3.022 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.540 -1.916 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.949 -3.043 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.403 -5.437 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.054 -5.559 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.713 -6.089 5.088 1.00 0.00 H new ATOM 1043 N VAL A 73 8.841 -1.895 6.582 1.00 0.00 N ATOM 1044 CA VAL A 73 9.023 -0.529 7.059 1.00 0.00 C ATOM 1045 C VAL A 73 10.483 -0.102 6.957 1.00 0.00 C ATOM 1046 O VAL A 73 10.781 1.057 6.668 1.00 0.00 O ATOM 1047 CB VAL A 73 8.556 -0.378 8.518 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.428 -1.208 9.447 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.566 1.086 8.931 1.00 0.00 C ATOM 0 H VAL A 73 8.134 -2.428 7.089 1.00 0.00 H new ATOM 0 HA VAL A 73 8.414 0.113 6.422 1.00 0.00 H new ATOM 0 HB VAL A 73 7.533 -0.747 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.082 -1.088 10.474 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.365 -2.258 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.462 -0.873 9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.233 1.175 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.577 1.483 8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.895 1.651 8.284 1.00 0.00 H new ATOM 1059 N GLU A 74 11.388 -1.045 7.195 1.00 0.00 N ATOM 1060 CA GLU A 74 12.818 -0.765 7.130 1.00 0.00 C ATOM 1061 C GLU A 74 13.297 -0.712 5.682 1.00 0.00 C ATOM 1062 O GLU A 74 14.051 0.182 5.298 1.00 0.00 O ATOM 1063 CB GLU A 74 13.604 -1.829 7.899 1.00 0.00 C ATOM 1064 CG GLU A 74 13.815 -1.488 9.365 1.00 0.00 C ATOM 1065 CD GLU A 74 14.060 -2.716 10.220 1.00 0.00 C ATOM 1066 OE1 GLU A 74 14.788 -3.621 9.762 1.00 0.00 O ATOM 1067 OE2 GLU A 74 13.524 -2.772 11.346 1.00 0.00 O ATOM 0 H GLU A 74 11.157 -2.009 7.435 1.00 0.00 H new ATOM 0 HA GLU A 74 12.992 0.208 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.077 -2.780 7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.575 -1.966 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.663 -0.810 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.940 -0.957 9.740 1.00 0.00 H new ATOM 1074 N LYS A 75 12.853 -1.675 4.882 1.00 0.00 N ATOM 1075 CA LYS A 75 13.234 -1.740 3.476 1.00 0.00 C ATOM 1076 C LYS A 75 12.793 -0.482 2.735 1.00 0.00 C ATOM 1077 O LYS A 75 13.388 -0.102 1.726 1.00 0.00 O ATOM 1078 CB LYS A 75 12.619 -2.976 2.816 1.00 0.00 C ATOM 1079 CG LYS A 75 13.401 -4.253 3.068 1.00 0.00 C ATOM 1080 CD LYS A 75 12.532 -5.486 2.881 1.00 0.00 C ATOM 1081 CE LYS A 75 13.350 -6.677 2.408 1.00 0.00 C ATOM 1082 NZ LYS A 75 12.759 -7.969 2.857 1.00 0.00 N ATOM 0 H LYS A 75 12.228 -2.422 5.184 1.00 0.00 H new ATOM 0 HA LYS A 75 14.320 -1.810 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.601 -3.105 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.551 -2.808 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.252 -4.300 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.803 -4.240 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.040 -5.732 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.746 -5.272 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.413 -6.665 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.368 -6.592 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.520 -8.656 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.218 -7.818 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.126 -8.336 2.118 1.00 0.00 H new ATOM 1096 N VAL A 76 11.746 0.162 3.242 1.00 0.00 N ATOM 1097 CA VAL A 76 11.227 1.379 2.629 1.00 0.00 C ATOM 1098 C VAL A 76 12.114 2.577 2.949 1.00 0.00 C ATOM 1099 O VAL A 76 12.687 3.197 2.053 1.00 0.00 O ATOM 1100 CB VAL A 76 9.791 1.677 3.101 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.299 2.992 2.517 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.860 0.535 2.725 1.00 0.00 C ATOM 0 H VAL A 76 11.241 -0.139 4.075 1.00 0.00 H new ATOM 0 HA VAL A 76 11.220 1.213 1.552 1.00 0.00 H new ATOM 0 HB VAL A 76 9.795 1.769 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.283 3.186 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.953 3.802 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.308 2.933 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.850 0.762 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.858 0.409 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.204 -0.385 3.197 1.00 0.00 H new ATOM 1112 N LYS A 77 12.224 2.898 4.234 1.00 0.00 N ATOM 1113 CA LYS A 77 13.043 4.021 4.675 1.00 0.00 C ATOM 1114 C LYS A 77 14.455 3.922 4.105 1.00 0.00 C ATOM 1115 O LYS A 77 15.060 4.929 3.738 1.00 0.00 O ATOM 1116 CB LYS A 77 13.101 4.068 6.203 1.00 0.00 C ATOM 1117 CG LYS A 77 13.820 2.881 6.821 1.00 0.00 C ATOM 1118 CD LYS A 77 14.159 3.133 8.281 1.00 0.00 C ATOM 1119 CE LYS A 77 14.201 1.837 9.075 1.00 0.00 C ATOM 1120 NZ LYS A 77 14.971 1.986 10.341 1.00 0.00 N ATOM 0 H LYS A 77 11.756 2.396 4.988 1.00 0.00 H new ATOM 0 HA LYS A 77 12.585 4.939 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.601 4.986 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.085 4.111 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.194 1.993 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.735 2.678 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.124 3.635 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.419 3.804 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.184 1.518 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.651 1.053 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.976 1.081 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.949 2.265 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.527 2.716 10.934 1.00 0.00 H new ATOM 1134 N LYS A 78 14.974 2.701 4.032 1.00 0.00 N ATOM 1135 CA LYS A 78 16.313 2.469 3.505 1.00 0.00 C ATOM 1136 C LYS A 78 16.333 2.614 1.986 1.00 0.00 C ATOM 1137 O LYS A 78 17.299 3.118 1.414 1.00 0.00 O ATOM 1138 CB LYS A 78 16.805 1.074 3.900 1.00 0.00 C ATOM 1139 CG LYS A 78 17.137 0.943 5.377 1.00 0.00 C ATOM 1140 CD LYS A 78 18.148 -0.164 5.624 1.00 0.00 C ATOM 1141 CE LYS A 78 17.514 -1.539 5.484 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.479 -2.629 5.800 1.00 0.00 N ATOM 0 H LYS A 78 14.487 1.856 4.332 1.00 0.00 H new ATOM 0 HA LYS A 78 16.979 3.218 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.041 0.341 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.691 0.831 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.533 1.888 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.226 0.737 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.973 -0.069 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.570 -0.057 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.653 -1.612 6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.143 -1.666 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.009 -3.551 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.288 -2.576 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.814 -2.523 6.779 1.00 0.00 H new ATOM 1156 N SER A 79 15.259 2.171 1.340 1.00 0.00 N ATOM 1157 CA SER A 79 15.154 2.250 -0.112 1.00 0.00 C ATOM 1158 C SER A 79 15.810 3.524 -0.636 1.00 0.00 C ATOM 1159 O SER A 79 16.542 3.498 -1.624 1.00 0.00 O ATOM 1160 CB SER A 79 13.687 2.204 -0.542 1.00 0.00 C ATOM 1161 OG SER A 79 13.069 3.470 -0.384 1.00 0.00 O ATOM 0 H SER A 79 14.449 1.754 1.799 1.00 0.00 H new ATOM 0 HA SER A 79 15.676 1.392 -0.536 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.620 1.891 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.154 1.459 0.050 1.00 0.00 H new ATOM 0 HG SER A 79 12.527 3.470 0.432 1.00 0.00 H new ATOM 1167 N GLY A 80 15.541 4.640 0.036 1.00 0.00 N ATOM 1168 CA GLY A 80 16.111 5.909 -0.375 1.00 0.00 C ATOM 1169 C GLY A 80 15.062 6.991 -0.537 1.00 0.00 C ATOM 1170 O GLY A 80 14.650 7.617 0.440 1.00 0.00 O ATOM 0 H GLY A 80 14.938 4.687 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.847 6.229 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.641 5.777 -1.318 1.00 0.00 H new ATOM 1174 N SER A 81 14.629 7.213 -1.774 1.00 0.00 N ATOM 1175 CA SER A 81 13.625 8.231 -2.061 1.00 0.00 C ATOM 1176 C SER A 81 12.440 7.629 -2.810 1.00 0.00 C ATOM 1177 O SER A 81 11.285 7.939 -2.517 1.00 0.00 O ATOM 1178 CB SER A 81 14.239 9.366 -2.883 1.00 0.00 C ATOM 1179 OG SER A 81 15.316 9.973 -2.191 1.00 0.00 O ATOM 0 H SER A 81 14.958 6.702 -2.593 1.00 0.00 H new ATOM 0 HA SER A 81 13.268 8.631 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.590 8.978 -3.839 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.477 10.113 -3.103 1.00 0.00 H new ATOM 0 HG SER A 81 15.692 10.694 -2.738 1.00 0.00 H new ATOM 1185 N ARG A 82 12.735 6.768 -3.777 1.00 0.00 N ATOM 1186 CA ARG A 82 11.695 6.122 -4.570 1.00 0.00 C ATOM 1187 C ARG A 82 11.587 4.641 -4.222 1.00 0.00 C ATOM 1188 O ARG A 82 12.555 4.024 -3.777 1.00 0.00 O ATOM 1189 CB ARG A 82 11.986 6.287 -6.063 1.00 0.00 C ATOM 1190 CG ARG A 82 12.366 7.705 -6.456 1.00 0.00 C ATOM 1191 CD ARG A 82 13.307 7.717 -7.652 1.00 0.00 C ATOM 1192 NE ARG A 82 14.707 7.622 -7.247 1.00 0.00 N ATOM 1193 CZ ARG A 82 15.342 8.571 -6.569 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.706 9.681 -6.221 1.00 0.00 N ATOM 1195 NH2 ARG A 82 16.617 8.411 -6.238 1.00 0.00 N ATOM 0 H ARG A 82 13.686 6.501 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 82 10.745 6.602 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.795 5.612 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.107 5.985 -6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.466 8.272 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.842 8.203 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.064 6.885 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.156 8.633 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 82 15.226 6.780 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.726 9.808 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.197 10.408 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.110 7.559 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.104 9.140 -5.717 1.00 0.00 H new ATOM 1209 N VAL A 83 10.401 4.075 -4.426 1.00 0.00 N ATOM 1210 CA VAL A 83 10.166 2.666 -4.135 1.00 0.00 C ATOM 1211 C VAL A 83 9.174 2.059 -5.121 1.00 0.00 C ATOM 1212 O VAL A 83 8.367 2.768 -5.720 1.00 0.00 O ATOM 1213 CB VAL A 83 9.635 2.470 -2.703 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.787 2.375 -1.714 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.690 3.601 -2.326 1.00 0.00 C ATOM 0 H VAL A 83 9.588 4.571 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 83 11.126 2.158 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 83 9.078 1.534 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.392 2.237 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.421 1.528 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.374 3.293 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.324 3.446 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.221 4.552 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.847 3.616 -3.017 1.00 0.00 H new ATOM 1225 N MET A 84 9.241 0.742 -5.284 1.00 0.00 N ATOM 1226 CA MET A 84 8.347 0.039 -6.196 1.00 0.00 C ATOM 1227 C MET A 84 7.472 -0.956 -5.441 1.00 0.00 C ATOM 1228 O MET A 84 7.965 -1.947 -4.901 1.00 0.00 O ATOM 1229 CB MET A 84 9.153 -0.689 -7.274 1.00 0.00 C ATOM 1230 CG MET A 84 8.340 -1.706 -8.058 1.00 0.00 C ATOM 1231 SD MET A 84 9.374 -2.853 -8.989 1.00 0.00 S ATOM 1232 CE MET A 84 10.475 -1.715 -9.825 1.00 0.00 C ATOM 0 H MET A 84 9.905 0.140 -4.797 1.00 0.00 H new ATOM 0 HA MET A 84 7.700 0.777 -6.671 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.565 0.045 -7.966 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.997 -1.195 -6.805 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.708 -2.268 -7.370 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.675 -1.182 -8.745 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.991 -2.235 -10.632 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.898 -0.887 -10.237 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.207 -1.329 -9.115 1.00 0.00 H new ATOM 1242 N PHE A 85 6.171 -0.686 -5.407 1.00 0.00 N ATOM 1243 CA PHE A 85 5.227 -1.557 -4.716 1.00 0.00 C ATOM 1244 C PHE A 85 4.351 -2.309 -5.713 1.00 0.00 C ATOM 1245 O PHE A 85 3.687 -1.701 -6.555 1.00 0.00 O ATOM 1246 CB PHE A 85 4.351 -0.741 -3.763 1.00 0.00 C ATOM 1247 CG PHE A 85 5.133 0.003 -2.718 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.922 -0.681 -1.807 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.078 1.385 -2.647 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.643 0.001 -0.845 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.797 2.072 -1.688 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.580 1.379 -0.785 1.00 0.00 C ATOM 0 H PHE A 85 5.746 0.129 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 85 5.798 -2.285 -4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.764 -0.028 -4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.645 -1.409 -3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.974 -1.759 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.466 1.932 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.255 -0.543 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.747 3.150 -1.644 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.142 1.914 -0.034 1.00 0.00 H new ATOM 1262 N LEU A 86 4.354 -3.633 -5.614 1.00 0.00 N ATOM 1263 CA LEU A 86 3.560 -4.470 -6.507 1.00 0.00 C ATOM 1264 C LEU A 86 2.413 -5.135 -5.754 1.00 0.00 C ATOM 1265 O LEU A 86 2.633 -5.983 -4.888 1.00 0.00 O ATOM 1266 CB LEU A 86 4.443 -5.536 -7.159 1.00 0.00 C ATOM 1267 CG LEU A 86 3.727 -6.536 -8.068 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.465 -5.923 -9.435 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.543 -7.813 -8.202 1.00 0.00 C ATOM 0 H LEU A 86 4.898 -4.151 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 86 3.139 -3.831 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.215 -5.033 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.951 -6.091 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 86 2.768 -6.787 -7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.955 -6.649 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.840 -5.037 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.412 -5.642 -9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.019 -8.513 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.517 -7.579 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.679 -8.263 -7.219 1.00 0.00 H new ATOM 1281 N LEU A 87 1.187 -4.746 -6.090 1.00 0.00 N ATOM 1282 CA LEU A 87 0.004 -5.306 -5.446 1.00 0.00 C ATOM 1283 C LEU A 87 -1.081 -5.612 -6.474 1.00 0.00 C ATOM 1284 O LEU A 87 -0.977 -5.222 -7.637 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.535 -4.337 -4.393 1.00 0.00 C ATOM 1286 CG LEU A 87 0.499 -3.430 -3.724 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.665 -2.140 -4.512 1.00 0.00 C ATOM 1288 CD2 LEU A 87 0.096 -3.131 -2.288 1.00 0.00 C ATOM 0 H LEU A 87 0.987 -4.046 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 87 0.292 -6.238 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.292 -3.708 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.036 -4.916 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 87 1.457 -3.950 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.404 -1.507 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.999 -2.372 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.289 -1.616 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.843 -2.485 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.872 -2.631 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.028 -4.063 -1.728 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.123 -6.312 -6.036 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.229 -6.668 -6.917 1.00 0.00 C ATOM 1302 C VAL A 88 -4.526 -6.005 -6.466 1.00 0.00 C ATOM 1303 O VAL A 88 -4.653 -5.585 -5.316 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.437 -8.193 -6.970 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.422 -8.560 -8.068 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -2.108 -8.904 -7.175 1.00 0.00 C ATOM 0 H VAL A 88 -2.224 -6.644 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.968 -6.310 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.855 -8.519 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.556 -9.642 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.381 -8.079 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.037 -8.223 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.273 -9.981 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.660 -8.575 -8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.437 -8.667 -6.349 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.487 -5.915 -7.379 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.776 -5.304 -7.075 1.00 0.00 C ATOM 1318 C ASP A 89 -7.551 -6.146 -6.066 1.00 0.00 C ATOM 1319 O ASP A 89 -7.877 -7.304 -6.328 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.597 -5.133 -8.354 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.759 -4.647 -9.520 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -6.110 -5.488 -10.175 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.751 -3.424 -9.776 1.00 0.00 O ATOM 0 H ASP A 89 -5.398 -6.257 -8.336 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.592 -4.323 -6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.060 -6.085 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.405 -4.425 -8.171 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.843 -5.556 -4.912 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.580 -6.250 -3.863 1.00 0.00 C ATOM 1330 C LYS A 90 -9.800 -6.965 -4.436 1.00 0.00 C ATOM 1331 O LYS A 90 -10.320 -7.903 -3.833 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.017 -5.262 -2.779 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.103 -4.302 -3.234 1.00 0.00 C ATOM 1334 CD LYS A 90 -9.512 -3.031 -3.822 1.00 0.00 C ATOM 1335 CE LYS A 90 -10.520 -1.892 -3.816 1.00 0.00 C ATOM 1336 NZ LYS A 90 -11.648 -2.145 -4.754 1.00 0.00 N ATOM 0 H LYS A 90 -7.580 -4.598 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.918 -6.995 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.376 -5.820 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.150 -4.688 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.733 -4.790 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.744 -4.050 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.630 -2.741 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.182 -3.221 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.910 -1.757 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.020 -0.963 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.313 -1.346 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.279 -2.248 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.141 -3.018 -4.477 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.248 -6.515 -5.604 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.407 -7.113 -6.258 1.00 0.00 C ATOM 1352 C GLU A 91 -11.049 -8.466 -6.867 1.00 0.00 C ATOM 1353 O GLU A 91 -11.788 -9.441 -6.722 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.946 -6.179 -7.343 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.999 -5.206 -6.840 1.00 0.00 C ATOM 1356 CD GLU A 91 -14.406 -5.763 -6.946 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -14.829 -6.092 -8.074 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -15.083 -5.868 -5.902 1.00 0.00 O ATOM 0 H GLU A 91 -9.827 -5.740 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.180 -7.266 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.117 -5.615 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.372 -6.778 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.789 -4.955 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.935 -4.280 -7.411 1.00 0.00 H new ATOM 1365 N THR A 92 -9.910 -8.518 -7.551 1.00 0.00 N ATOM 1366 CA THR A 92 -9.454 -9.749 -8.184 1.00 0.00 C ATOM 1367 C THR A 92 -8.951 -10.747 -7.148 1.00 0.00 C ATOM 1368 O THR A 92 -9.345 -11.913 -7.153 1.00 0.00 O ATOM 1369 CB THR A 92 -8.332 -9.474 -9.204 1.00 0.00 C ATOM 1370 OG1 THR A 92 -8.816 -8.620 -10.246 1.00 0.00 O ATOM 1371 CG2 THR A 92 -7.817 -10.774 -9.804 1.00 0.00 C ATOM 0 H THR A 92 -9.286 -7.721 -7.681 1.00 0.00 H new ATOM 0 HA THR A 92 -10.312 -10.173 -8.705 1.00 0.00 H new ATOM 0 HB THR A 92 -7.510 -8.981 -8.684 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.097 -8.449 -10.889 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.026 -10.555 -10.521 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.423 -11.410 -9.011 1.00 0.00 H new ATOM 0 HG23 THR A 92 -8.633 -11.290 -10.310 1.00 0.00 H new ATOM 1379 N ASP A 93 -8.079 -10.281 -6.260 1.00 0.00 N ATOM 1380 CA ASP A 93 -7.523 -11.133 -5.216 1.00 0.00 C ATOM 1381 C ASP A 93 -8.631 -11.855 -4.455 1.00 0.00 C ATOM 1382 O ASP A 93 -8.640 -13.082 -4.365 1.00 0.00 O ATOM 1383 CB ASP A 93 -6.679 -10.303 -4.247 1.00 0.00 C ATOM 1384 CG ASP A 93 -6.410 -11.031 -2.944 1.00 0.00 C ATOM 1385 OD1 ASP A 93 -5.653 -12.023 -2.964 1.00 0.00 O ATOM 1386 OD2 ASP A 93 -6.958 -10.608 -1.904 1.00 0.00 O ATOM 0 H ASP A 93 -7.742 -9.318 -6.243 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.888 -11.880 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.731 -10.050 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.191 -9.364 -4.036 1.00 0.00 H new ATOM 1391 N LYS A 94 -9.565 -11.084 -3.908 1.00 0.00 N ATOM 1392 CA LYS A 94 -10.679 -11.648 -3.155 1.00 0.00 C ATOM 1393 C LYS A 94 -11.423 -12.690 -3.983 1.00 0.00 C ATOM 1394 O LYS A 94 -11.937 -13.671 -3.447 1.00 0.00 O ATOM 1395 CB LYS A 94 -11.642 -10.540 -2.724 1.00 0.00 C ATOM 1396 CG LYS A 94 -12.464 -10.893 -1.496 1.00 0.00 C ATOM 1397 CD LYS A 94 -13.103 -9.659 -0.879 1.00 0.00 C ATOM 1398 CE LYS A 94 -13.873 -10.004 0.386 1.00 0.00 C ATOM 1399 NZ LYS A 94 -14.512 -8.803 0.992 1.00 0.00 N ATOM 0 H LYS A 94 -9.572 -10.066 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.276 -12.136 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.072 -9.633 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.316 -10.315 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.240 -11.608 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.827 -11.381 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.331 -8.925 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.776 -9.197 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.638 -10.745 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.197 -10.460 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.027 -9.080 1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.780 -8.106 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.176 -8.382 0.311 1.00 0.00 H new ATOM 1413 N ARG A 95 -11.476 -12.470 -5.293 1.00 0.00 N ATOM 1414 CA ARG A 95 -12.158 -13.391 -6.195 1.00 0.00 C ATOM 1415 C ARG A 95 -11.961 -12.973 -7.649 1.00 0.00 C ATOM 1416 O ARG A 95 -12.158 -11.810 -8.004 1.00 0.00 O ATOM 1417 CB ARG A 95 -13.651 -13.448 -5.867 1.00 0.00 C ATOM 1418 CG ARG A 95 -14.364 -12.117 -6.042 1.00 0.00 C ATOM 1419 CD ARG A 95 -15.615 -12.038 -5.180 1.00 0.00 C ATOM 1420 NE ARG A 95 -16.600 -11.110 -5.730 1.00 0.00 N ATOM 1421 CZ ARG A 95 -17.893 -11.151 -5.432 1.00 0.00 C ATOM 1422 NH1 ARG A 95 -18.356 -12.069 -4.595 1.00 0.00 N ATOM 1423 NH2 ARG A 95 -18.728 -10.271 -5.972 1.00 0.00 N ATOM 0 H ARG A 95 -11.055 -11.663 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 95 -11.725 -14.382 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.127 -14.192 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -13.776 -13.785 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -13.688 -11.303 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -14.633 -11.982 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -16.059 -13.030 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -15.342 -11.723 -4.173 1.00 0.00 H new ATOM 0 HE ARG A 95 -16.277 -10.392 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -17.718 -12.747 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -19.350 -12.097 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.376 -9.563 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -19.721 -10.303 -5.743 1.00 0.00 H new ATOM 1437 N HIS A 96 -11.571 -13.929 -8.487 1.00 0.00 N ATOM 1438 CA HIS A 96 -11.347 -13.660 -9.903 1.00 0.00 C ATOM 1439 C HIS A 96 -12.665 -13.662 -10.671 1.00 0.00 C ATOM 1440 O HIS A 96 -12.770 -14.261 -11.742 1.00 0.00 O ATOM 1441 CB HIS A 96 -10.395 -14.699 -10.497 1.00 0.00 C ATOM 1442 CG HIS A 96 -9.648 -14.209 -11.699 1.00 0.00 C ATOM 1443 ND1 HIS A 96 -8.342 -14.558 -11.967 1.00 0.00 N ATOM 1444 CD2 HIS A 96 -10.033 -13.393 -12.708 1.00 0.00 C ATOM 1445 CE1 HIS A 96 -7.954 -13.977 -13.088 1.00 0.00 C ATOM 1446 NE2 HIS A 96 -8.962 -13.264 -13.558 1.00 0.00 N ATOM 0 H HIS A 96 -11.404 -14.896 -8.210 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.896 -12.672 -9.993 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.679 -15.002 -9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.965 -15.587 -10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.002 -12.930 -12.823 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -6.979 -14.069 -13.543 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.947 -12.708 -14.413 1.00 0.00 H new ATOM 1455 N VAL A 97 -13.669 -12.990 -10.117 1.00 0.00 N ATOM 1456 CA VAL A 97 -14.980 -12.914 -10.750 1.00 0.00 C ATOM 1457 C VAL A 97 -15.470 -11.472 -10.829 1.00 0.00 C ATOM 1458 O VAL A 97 -14.848 -10.565 -10.278 1.00 0.00 O ATOM 1459 CB VAL A 97 -16.020 -13.757 -9.988 1.00 0.00 C ATOM 1460 CG1 VAL A 97 -15.612 -15.222 -9.972 1.00 0.00 C ATOM 1461 CG2 VAL A 97 -16.200 -13.229 -8.573 1.00 0.00 C ATOM 0 H VAL A 97 -13.599 -12.490 -9.231 1.00 0.00 H new ATOM 0 HA VAL A 97 -14.868 -13.312 -11.759 1.00 0.00 H new ATOM 0 HB VAL A 97 -16.976 -13.677 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.359 -15.802 -9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.540 -15.591 -10.995 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.645 -15.325 -9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -16.938 -13.836 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -15.249 -13.277 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -16.542 -12.195 -8.611 1.00 0.00 H new ATOM 1471 N GLU A 98 -16.589 -11.270 -11.518 1.00 0.00 N ATOM 1472 CA GLU A 98 -17.161 -9.938 -11.669 1.00 0.00 C ATOM 1473 C GLU A 98 -18.330 -9.736 -10.709 1.00 0.00 C ATOM 1474 O GLU A 98 -19.035 -10.685 -10.367 1.00 0.00 O ATOM 1475 CB GLU A 98 -17.627 -9.719 -13.110 1.00 0.00 C ATOM 1476 CG GLU A 98 -18.446 -8.453 -13.300 1.00 0.00 C ATOM 1477 CD GLU A 98 -18.441 -7.965 -14.736 1.00 0.00 C ATOM 1478 OE1 GLU A 98 -17.378 -7.505 -15.202 1.00 0.00 O ATOM 1479 OE2 GLU A 98 -19.500 -8.044 -15.393 1.00 0.00 O ATOM 0 H GLU A 98 -17.116 -12.011 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.387 -9.209 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -16.755 -9.679 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.221 -10.577 -13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.473 -8.639 -12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -18.052 -7.669 -12.653 1.00 0.00 H new ATOM 1486 N GLN A 99 -18.528 -8.494 -10.280 1.00 0.00 N ATOM 1487 CA GLN A 99 -19.611 -8.168 -9.359 1.00 0.00 C ATOM 1488 C GLN A 99 -20.841 -7.679 -10.116 1.00 0.00 C ATOM 1489 O GLN A 99 -20.730 -7.121 -11.208 1.00 0.00 O ATOM 1490 CB GLN A 99 -19.155 -7.103 -8.360 1.00 0.00 C ATOM 1491 CG GLN A 99 -20.112 -6.914 -7.194 1.00 0.00 C ATOM 1492 CD GLN A 99 -19.615 -5.891 -6.191 1.00 0.00 C ATOM 1493 OE1 GLN A 99 -18.409 -5.702 -6.025 1.00 0.00 O ATOM 1494 NE2 GLN A 99 -20.543 -5.223 -5.516 1.00 0.00 N ATOM 0 H GLN A 99 -17.953 -7.697 -10.555 1.00 0.00 H new ATOM 0 HA GLN A 99 -19.878 -9.075 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -18.173 -7.376 -7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -19.039 -6.153 -8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -21.085 -6.602 -7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -20.258 -7.870 -6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -21.531 -5.411 -5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -20.268 -4.522 -4.829 1.00 0.00 H new ATOM 1503 N LYS A 100 -22.014 -7.892 -9.529 1.00 0.00 N ATOM 1504 CA LYS A 100 -23.266 -7.473 -10.147 1.00 0.00 C ATOM 1505 C LYS A 100 -23.747 -6.150 -9.559 1.00 0.00 C ATOM 1506 O LYS A 100 -24.621 -6.126 -8.693 1.00 0.00 O ATOM 1507 CB LYS A 100 -24.338 -8.548 -9.956 1.00 0.00 C ATOM 1508 CG LYS A 100 -24.339 -9.166 -8.568 1.00 0.00 C ATOM 1509 CD LYS A 100 -25.730 -9.622 -8.161 1.00 0.00 C ATOM 1510 CE LYS A 100 -26.609 -8.445 -7.767 1.00 0.00 C ATOM 1511 NZ LYS A 100 -26.399 -8.047 -6.348 1.00 0.00 N ATOM 0 H LYS A 100 -22.123 -8.353 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 100 -23.087 -7.333 -11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -25.317 -8.111 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -24.187 -9.335 -10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -23.656 -10.015 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -23.967 -8.440 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -26.193 -10.163 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -25.656 -10.318 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -26.394 -7.597 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -27.656 -8.706 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -27.016 -7.242 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -26.628 -8.848 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -25.406 -7.773 -6.208 1.00 0.00 H new ATOM 1525 N SER A 101 -23.171 -5.051 -10.036 1.00 0.00 N ATOM 1526 CA SER A 101 -23.539 -3.725 -9.555 1.00 0.00 C ATOM 1527 C SER A 101 -25.026 -3.663 -9.217 1.00 0.00 C ATOM 1528 O SER A 101 -25.868 -3.493 -10.098 1.00 0.00 O ATOM 1529 CB SER A 101 -23.199 -2.666 -10.606 1.00 0.00 C ATOM 1530 OG SER A 101 -21.863 -2.216 -10.463 1.00 0.00 O ATOM 0 H SER A 101 -22.448 -5.053 -10.755 1.00 0.00 H new ATOM 0 HA SER A 101 -22.969 -3.523 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 101 -23.341 -3.081 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 101 -23.882 -1.822 -10.511 1.00 0.00 H new ATOM 0 HG SER A 101 -21.670 -1.541 -11.147 1.00 0.00 H new ATOM 1536 N GLY A 102 -25.340 -3.802 -7.933 1.00 0.00 N ATOM 1537 CA GLY A 102 -26.725 -3.760 -7.499 1.00 0.00 C ATOM 1538 C GLY A 102 -27.077 -2.457 -6.809 1.00 0.00 C ATOM 1539 O GLY A 102 -26.930 -2.313 -5.596 1.00 0.00 O ATOM 0 H GLY A 102 -24.661 -3.943 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -27.377 -3.899 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -26.915 -4.590 -6.819 1.00 0.00 H new ATOM 1543 N PRO A 103 -27.551 -1.477 -7.593 1.00 0.00 N ATOM 1544 CA PRO A 103 -27.933 -0.161 -7.072 1.00 0.00 C ATOM 1545 C PRO A 103 -29.194 -0.221 -6.216 1.00 0.00 C ATOM 1546 O PRO A 103 -29.682 0.805 -5.742 1.00 0.00 O ATOM 1547 CB PRO A 103 -28.184 0.662 -8.338 1.00 0.00 C ATOM 1548 CG PRO A 103 -28.541 -0.342 -9.379 1.00 0.00 C ATOM 1549 CD PRO A 103 -27.751 -1.579 -9.049 1.00 0.00 C ATOM 0 HA PRO A 103 -27.167 0.258 -6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -28.989 1.381 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -27.298 1.230 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -29.611 -0.549 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -28.294 0.024 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -28.293 -2.486 -9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -26.802 -1.605 -9.584 1.00 0.00 H new ATOM 1557 N SER A 104 -29.716 -1.428 -6.023 1.00 0.00 N ATOM 1558 CA SER A 104 -30.923 -1.620 -5.227 1.00 0.00 C ATOM 1559 C SER A 104 -32.153 -1.118 -5.976 1.00 0.00 C ATOM 1560 O SER A 104 -33.040 -0.497 -5.390 1.00 0.00 O ATOM 1561 CB SER A 104 -30.796 -0.893 -3.887 1.00 0.00 C ATOM 1562 OG SER A 104 -31.608 -1.501 -2.898 1.00 0.00 O ATOM 0 H SER A 104 -29.322 -2.287 -6.407 1.00 0.00 H new ATOM 0 HA SER A 104 -31.042 -2.688 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 104 -29.755 -0.901 -3.563 1.00 0.00 H new ATOM 0 HB3 SER A 104 -31.085 0.151 -4.007 1.00 0.00 H new ATOM 0 HG SER A 104 -31.508 -1.019 -2.051 1.00 0.00 H new ATOM 1568 N SER A 105 -32.201 -1.393 -7.275 1.00 0.00 N ATOM 1569 CA SER A 105 -33.320 -0.967 -8.107 1.00 0.00 C ATOM 1570 C SER A 105 -33.868 -2.135 -8.920 1.00 0.00 C ATOM 1571 O SER A 105 -33.127 -3.036 -9.311 1.00 0.00 O ATOM 1572 CB SER A 105 -32.887 0.162 -9.043 1.00 0.00 C ATOM 1573 OG SER A 105 -32.158 -0.343 -10.149 1.00 0.00 O ATOM 0 H SER A 105 -31.477 -1.909 -7.775 1.00 0.00 H new ATOM 0 HA SER A 105 -34.110 -0.602 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 105 -33.765 0.701 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 105 -32.274 0.877 -8.495 1.00 0.00 H new ATOM 0 HG SER A 105 -31.894 0.398 -10.733 1.00 0.00 H new ATOM 1579 N GLY A 106 -35.174 -2.112 -9.172 1.00 0.00 N ATOM 1580 CA GLY A 106 -35.801 -3.174 -9.937 1.00 0.00 C ATOM 1581 C GLY A 106 -37.299 -2.985 -10.072 1.00 0.00 C ATOM 1582 O GLY A 106 -37.943 -3.644 -10.888 1.00 0.00 O ATOM 0 H GLY A 106 -35.808 -1.377 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -35.352 -3.216 -10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -35.601 -4.131 -9.456 1.00 0.00 H new TER 1586 GLY A 106