USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 25 TYR OH : rot 148:sc= -1.3 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -2.72! C(o=-6.6!,f=-6.9!) USER MOD Set 1.3: A 82 THR OG1 : rot 168:sc= -2.56! USER MOD Set 2.1: A 12 HIS : no HD1:sc= -12.1! C(o=-14!,f=-12!) USER MOD Set 2.2: A 44 ASN : amide:sc= -1.72! C(o=-14!,f=-12!) USER MOD Set 3.1: A 17 SER OG : rot -144:sc= 0.725 USER MOD Set 3.2: A 29 MET CE :methyl 163:sc= 0 (180deg=-0.0841) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00263) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : A 11 GLN : amide:sc= -3.45! K(o=-3.5!,f=-0.94) USER MOD Single : A 13 MET CE :methyl -155:sc= -3.19! (180deg=-3.98!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -52:sc= 0.215 USER MOD Single : A 21 SER OG : rot 116:sc= 0.405 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -5.1! C(o=-5.1!,f=-5.5!) USER MOD Single : A 28 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.51) USER MOD Single : A 30 MET CE :methyl 135:sc= -6.33! (180deg=-12.7!) USER MOD Single : A 34 ASN : amide:sc= -0.996 K(o=-1,f=-0.23) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 116:sc= -1.93 USER MOD Single : A 37 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= -4.27! (180deg=-6.82!) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -6.22 K(o=-6.2,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= 0.0213 X(o=0.021,f=0) USER MOD Single : A 60 GLN : amide:sc= -4.38! K(o=-4.4!,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.23 K(o=-2.2,f=-0.52) USER MOD Single : A 69 GLN : amide:sc= -0.895 K(o=-0.9,f=-0.088) USER MOD Single : A 71 ASN : amide:sc= -3.73! K(o=-3.7!,f=-1.8) USER MOD Single : A 73 TYR OH : rot 65:sc= 1.08 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 65:sc= 0.298 USER MOD Single : A 76 ASN : amide:sc= -0.0275 X(o=-0.028,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -124:sc= -3 (180deg=-10.1!) USER MOD Single : A 80 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-0.75) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.31) USER MOD Single : A 90 SER OG : rot 91:sc= -0.821 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 97 TYR OH : rot 40:sc=-0.00746 USER MOD Single : A 99 THR OG1 : rot 108:sc= -2.37 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -4.31! C(o=-4.3!,f=-3.2!) USER MOD Single : A 113 SER OG : rot 26:sc= 0.214 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-2.6!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.00898 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.680 -0.093 -7.278 1.00 40.15 N ATOM 50 CA ARG A 4 -5.906 -0.809 -7.612 1.00 45.40 C ATOM 51 C ARG A 4 -5.718 -1.651 -8.870 1.00 62.13 C ATOM 52 O ARG A 4 -5.866 -2.872 -8.839 1.00 72.43 O ATOM 53 CB ARG A 4 -7.058 0.177 -7.812 1.00 74.25 C ATOM 54 CG ARG A 4 -8.416 -0.493 -7.947 1.00 60.32 C ATOM 55 CD ARG A 4 -9.073 -0.697 -6.591 1.00 74.43 C ATOM 56 NE ARG A 4 -10.461 -1.137 -6.716 1.00 44.32 N ATOM 57 CZ ARG A 4 -11.483 -0.305 -6.883 1.00 43.13 C ATOM 58 NH1 ARG A 4 -11.274 1.003 -6.946 1.00 21.02 N ATOM 59 NH2 ARG A 4 -12.717 -0.781 -6.989 1.00 3.10 N ATOM 0 HA ARG A 4 -6.146 -1.475 -6.783 1.00 45.40 H new ATOM 0 HB2 ARG A 4 -7.085 0.867 -6.969 1.00 74.25 H new ATOM 0 HB3 ARG A 4 -6.865 0.772 -8.705 1.00 74.25 H new ATOM 0 HG2 ARG A 4 -9.063 0.117 -8.578 1.00 60.32 H new ATOM 0 HG3 ARG A 4 -8.300 -1.456 -8.445 1.00 60.32 H new ATOM 0 HD2 ARG A 4 -8.508 -1.436 -6.022 1.00 74.43 H new ATOM 0 HD3 ARG A 4 -9.037 0.235 -6.027 1.00 74.43 H new ATOM 0 HE ARG A 4 -10.656 -2.137 -6.673 1.00 44.32 H new ATOM 0 HH11 ARG A 4 -10.327 1.373 -6.866 1.00 21.02 H new ATOM 0 HH12 ARG A 4 -12.061 1.640 -7.074 1.00 21.02 H new ATOM 0 HH21 ARG A 4 -12.882 -1.787 -6.942 1.00 3.10 H new ATOM 0 HH22 ARG A 4 -13.501 -0.141 -7.117 1.00 3.10 H new ATOM 73 N ALA A 5 -5.391 -0.990 -9.976 1.00 12.32 N ATOM 74 CA ALA A 5 -5.182 -1.677 -11.244 1.00 23.53 C ATOM 75 C ALA A 5 -4.179 -2.816 -11.092 1.00 5.24 C ATOM 76 O ALA A 5 -4.221 -3.798 -11.833 1.00 31.25 O ATOM 77 CB ALA A 5 -4.711 -0.695 -12.306 1.00 1.23 C ATOM 0 H ALA A 5 -5.265 0.021 -10.019 1.00 12.32 H new ATOM 0 HA ALA A 5 -6.134 -2.105 -11.558 1.00 23.53 H new ATOM 0 HB1 ALA A 5 -4.559 -1.223 -13.248 1.00 1.23 H new ATOM 0 HB2 ALA A 5 -5.463 0.082 -12.443 1.00 1.23 H new ATOM 0 HB3 ALA A 5 -3.773 -0.240 -11.990 1.00 1.23 H new ATOM 83 N LYS A 6 -3.275 -2.677 -10.127 1.00 34.31 N ATOM 84 CA LYS A 6 -2.261 -3.694 -9.876 1.00 43.14 C ATOM 85 C LYS A 6 -2.904 -5.053 -9.622 1.00 61.50 C ATOM 86 O LYS A 6 -2.463 -6.070 -10.158 1.00 74.53 O ATOM 87 CB LYS A 6 -1.395 -3.295 -8.679 1.00 62.51 C ATOM 88 CG LYS A 6 -0.164 -2.491 -9.060 1.00 10.24 C ATOM 89 CD LYS A 6 0.993 -2.760 -8.112 1.00 61.23 C ATOM 90 CE LYS A 6 1.824 -3.948 -8.571 1.00 63.43 C ATOM 91 NZ LYS A 6 2.743 -3.585 -9.686 1.00 33.42 N ATOM 0 H LYS A 6 -3.224 -1.869 -9.506 1.00 34.31 H new ATOM 0 HA LYS A 6 -1.632 -3.770 -10.763 1.00 43.14 H new ATOM 0 HB2 LYS A 6 -1.998 -2.712 -7.983 1.00 62.51 H new ATOM 0 HB3 LYS A 6 -1.081 -4.196 -8.152 1.00 62.51 H new ATOM 0 HG2 LYS A 6 0.134 -2.740 -10.079 1.00 10.24 H new ATOM 0 HG3 LYS A 6 -0.405 -1.428 -9.049 1.00 10.24 H new ATOM 0 HD2 LYS A 6 1.626 -1.875 -8.048 1.00 61.23 H new ATOM 0 HD3 LYS A 6 0.608 -2.949 -7.110 1.00 61.23 H new ATOM 0 HE2 LYS A 6 2.405 -4.331 -7.732 1.00 63.43 H new ATOM 0 HE3 LYS A 6 1.162 -4.752 -8.893 1.00 63.43 H new ATOM 0 HZ1 LYS A 6 2.980 -4.438 -10.232 1.00 33.42 H new ATOM 0 HZ2 LYS A 6 2.278 -2.893 -10.308 1.00 33.42 H new ATOM 0 HZ3 LYS A 6 3.614 -3.170 -9.297 1.00 33.42 H new ATOM 105 N LYS A 7 -3.949 -5.064 -8.802 1.00 31.22 N ATOM 106 CA LYS A 7 -4.656 -6.298 -8.478 1.00 44.10 C ATOM 107 C LYS A 7 -5.227 -6.944 -9.736 1.00 41.12 C ATOM 108 O LYS A 7 -5.236 -8.168 -9.868 1.00 40.02 O ATOM 109 CB LYS A 7 -5.781 -6.018 -7.479 1.00 71.34 C ATOM 110 CG LYS A 7 -6.074 -7.184 -6.552 1.00 35.55 C ATOM 111 CD LYS A 7 -7.460 -7.074 -5.938 1.00 11.23 C ATOM 112 CE LYS A 7 -7.521 -7.746 -4.575 1.00 33.22 C ATOM 113 NZ LYS A 7 -8.839 -7.540 -3.913 1.00 53.32 N ATOM 0 H LYS A 7 -4.326 -4.231 -8.349 1.00 31.22 H new ATOM 0 HA LYS A 7 -3.943 -6.989 -8.028 1.00 44.10 H new ATOM 0 HB2 LYS A 7 -5.516 -5.147 -6.881 1.00 71.34 H new ATOM 0 HB3 LYS A 7 -6.688 -5.764 -8.028 1.00 71.34 H new ATOM 0 HG2 LYS A 7 -5.994 -8.119 -7.106 1.00 35.55 H new ATOM 0 HG3 LYS A 7 -5.326 -7.217 -5.760 1.00 35.55 H new ATOM 0 HD2 LYS A 7 -7.733 -6.023 -5.839 1.00 11.23 H new ATOM 0 HD3 LYS A 7 -8.191 -7.532 -6.604 1.00 11.23 H new ATOM 0 HE2 LYS A 7 -7.334 -8.814 -4.688 1.00 33.22 H new ATOM 0 HE3 LYS A 7 -6.729 -7.350 -3.939 1.00 33.22 H new ATOM 0 HZ1 LYS A 7 -8.840 -8.013 -2.987 1.00 53.32 H new ATOM 0 HZ2 LYS A 7 -9.006 -6.522 -3.782 1.00 53.32 H new ATOM 0 HZ3 LYS A 7 -9.592 -7.941 -4.507 1.00 53.32 H new ATOM 127 N PHE A 8 -5.702 -6.114 -10.659 1.00 4.42 N ATOM 128 CA PHE A 8 -6.274 -6.604 -11.907 1.00 71.30 C ATOM 129 C PHE A 8 -5.230 -7.361 -12.724 1.00 14.33 C ATOM 130 O PHE A 8 -5.554 -8.315 -13.431 1.00 5.32 O ATOM 131 CB PHE A 8 -6.835 -5.441 -12.727 1.00 72.15 C ATOM 132 CG PHE A 8 -7.314 -5.846 -14.092 1.00 61.23 C ATOM 133 CD1 PHE A 8 -8.566 -6.415 -14.261 1.00 50.13 C ATOM 134 CD2 PHE A 8 -6.512 -5.658 -15.206 1.00 41.24 C ATOM 135 CE1 PHE A 8 -9.008 -6.789 -15.516 1.00 34.20 C ATOM 136 CE2 PHE A 8 -6.949 -6.030 -16.464 1.00 12.22 C ATOM 137 CZ PHE A 8 -8.200 -6.595 -16.619 1.00 25.33 C ATOM 0 H PHE A 8 -5.702 -5.098 -10.566 1.00 4.42 H new ATOM 0 HA PHE A 8 -7.085 -7.290 -11.661 1.00 71.30 H new ATOM 0 HB2 PHE A 8 -7.662 -4.987 -12.181 1.00 72.15 H new ATOM 0 HB3 PHE A 8 -6.065 -4.677 -12.833 1.00 72.15 H new ATOM 0 HD1 PHE A 8 -9.203 -6.568 -13.403 1.00 50.13 H new ATOM 0 HD2 PHE A 8 -5.534 -5.216 -15.090 1.00 41.24 H new ATOM 0 HE1 PHE A 8 -9.985 -7.233 -15.634 1.00 34.20 H new ATOM 0 HE2 PHE A 8 -6.313 -5.879 -17.324 1.00 12.22 H new ATOM 0 HZ PHE A 8 -8.545 -6.884 -17.601 1.00 25.33 H new ATOM 147 N GLN A 9 -3.978 -6.926 -12.620 1.00 75.44 N ATOM 148 CA GLN A 9 -2.888 -7.561 -13.350 1.00 64.34 C ATOM 149 C GLN A 9 -2.700 -9.006 -12.900 1.00 65.21 C ATOM 150 O GLN A 9 -2.773 -9.933 -13.707 1.00 51.24 O ATOM 151 CB GLN A 9 -1.588 -6.779 -13.150 1.00 54.00 C ATOM 152 CG GLN A 9 -1.407 -5.637 -14.137 1.00 35.01 C ATOM 153 CD GLN A 9 -2.727 -5.053 -14.602 1.00 61.22 C ATOM 154 OE1 GLN A 9 -3.420 -5.640 -15.434 1.00 20.24 O ATOM 155 NE2 GLN A 9 -3.082 -3.891 -14.067 1.00 1.01 N ATOM 0 H GLN A 9 -3.694 -6.138 -12.038 1.00 75.44 H new ATOM 0 HA GLN A 9 -3.145 -7.560 -14.409 1.00 64.34 H new ATOM 0 HB2 GLN A 9 -1.567 -6.379 -12.136 1.00 54.00 H new ATOM 0 HB3 GLN A 9 -0.744 -7.463 -13.240 1.00 54.00 H new ATOM 0 HG2 GLN A 9 -0.810 -4.852 -13.673 1.00 35.01 H new ATOM 0 HG3 GLN A 9 -0.847 -5.994 -15.001 1.00 35.01 H new ATOM 0 HE21 GLN A 9 -2.477 -3.439 -13.381 1.00 1.01 H new ATOM 0 HE22 GLN A 9 -3.960 -3.450 -14.342 1.00 1.01 H new ATOM 164 N ARG A 10 -2.456 -9.191 -11.607 1.00 12.24 N ATOM 165 CA ARG A 10 -2.256 -10.523 -11.049 1.00 70.04 C ATOM 166 C ARG A 10 -3.581 -11.271 -10.940 1.00 33.30 C ATOM 167 O ARG A 10 -3.642 -12.367 -10.382 1.00 44.33 O ATOM 168 CB ARG A 10 -1.596 -10.429 -9.673 1.00 21.34 C ATOM 169 CG ARG A 10 -0.290 -9.651 -9.675 1.00 33.01 C ATOM 170 CD ARG A 10 0.166 -9.324 -8.262 1.00 32.05 C ATOM 171 NE ARG A 10 0.398 -10.529 -7.469 1.00 12.51 N ATOM 172 CZ ARG A 10 1.203 -10.570 -6.413 1.00 43.24 C ATOM 173 NH1 ARG A 10 1.850 -9.479 -6.026 1.00 30.23 N ATOM 174 NH2 ARG A 10 1.363 -11.704 -5.743 1.00 12.20 N ATOM 0 H ARG A 10 -2.392 -8.435 -10.926 1.00 12.24 H new ATOM 0 HA ARG A 10 -1.600 -11.077 -11.721 1.00 70.04 H new ATOM 0 HB2 ARG A 10 -2.290 -9.956 -8.978 1.00 21.34 H new ATOM 0 HB3 ARG A 10 -1.409 -11.436 -9.300 1.00 21.34 H new ATOM 0 HG2 ARG A 10 0.480 -10.232 -10.182 1.00 33.01 H new ATOM 0 HG3 ARG A 10 -0.416 -8.728 -10.241 1.00 33.01 H new ATOM 0 HD2 ARG A 10 1.083 -8.736 -8.304 1.00 32.05 H new ATOM 0 HD3 ARG A 10 -0.587 -8.707 -7.772 1.00 32.05 H new ATOM 0 HE ARG A 10 -0.084 -11.386 -7.741 1.00 12.51 H new ATOM 0 HH11 ARG A 10 1.730 -8.606 -6.539 1.00 30.23 H new ATOM 0 HH12 ARG A 10 2.468 -9.513 -5.215 1.00 30.23 H new ATOM 0 HH21 ARG A 10 0.868 -12.545 -6.039 1.00 12.20 H new ATOM 0 HH22 ARG A 10 1.981 -11.735 -4.932 1.00 12.20 H new ATOM 188 N GLN A 11 -4.640 -10.672 -11.476 1.00 4.44 N ATOM 189 CA GLN A 11 -5.964 -11.281 -11.437 1.00 24.15 C ATOM 190 C GLN A 11 -6.274 -11.994 -12.749 1.00 4.03 C ATOM 191 O GLN A 11 -6.601 -13.181 -12.760 1.00 71.10 O ATOM 192 CB GLN A 11 -7.029 -10.220 -11.155 1.00 3.11 C ATOM 193 CG GLN A 11 -7.403 -10.108 -9.686 1.00 21.42 C ATOM 194 CD GLN A 11 -8.541 -9.136 -9.446 1.00 21.14 C ATOM 195 OE1 GLN A 11 -9.680 -9.385 -9.842 1.00 63.14 O ATOM 196 NE2 GLN A 11 -8.239 -8.020 -8.793 1.00 24.15 N ATOM 0 H GLN A 11 -4.606 -9.765 -11.942 1.00 4.44 H new ATOM 0 HA GLN A 11 -5.974 -12.017 -10.633 1.00 24.15 H new ATOM 0 HB2 GLN A 11 -6.667 -9.253 -11.504 1.00 3.11 H new ATOM 0 HB3 GLN A 11 -7.924 -10.453 -11.732 1.00 3.11 H new ATOM 0 HG2 GLN A 11 -7.685 -11.092 -9.311 1.00 21.42 H new ATOM 0 HG3 GLN A 11 -6.531 -9.788 -9.116 1.00 21.42 H new ATOM 0 HE21 GLN A 11 -7.282 -7.854 -8.483 1.00 24.15 H new ATOM 0 HE22 GLN A 11 -8.964 -7.329 -8.602 1.00 24.15 H new ATOM 205 N HIS A 12 -6.169 -11.262 -13.853 1.00 64.03 N ATOM 206 CA HIS A 12 -6.438 -11.825 -15.172 1.00 4.22 C ATOM 207 C HIS A 12 -5.190 -11.775 -16.049 1.00 30.14 C ATOM 208 O HIS A 12 -4.924 -12.697 -16.819 1.00 73.20 O ATOM 209 CB HIS A 12 -7.581 -11.069 -15.849 1.00 13.24 C ATOM 210 CG HIS A 12 -8.656 -10.634 -14.900 1.00 71.43 C ATOM 211 ND1 HIS A 12 -9.819 -11.349 -14.702 1.00 4.10 N ATOM 212 CD2 HIS A 12 -8.739 -9.552 -14.092 1.00 0.11 C ATOM 213 CE1 HIS A 12 -10.571 -10.724 -13.814 1.00 1.20 C ATOM 214 NE2 HIS A 12 -9.938 -9.631 -13.428 1.00 13.43 N ATOM 0 H HIS A 12 -5.900 -10.278 -13.861 1.00 64.03 H new ATOM 0 HA HIS A 12 -6.728 -12.868 -15.042 1.00 4.22 H new ATOM 0 HB2 HIS A 12 -7.177 -10.192 -16.354 1.00 13.24 H new ATOM 0 HB3 HIS A 12 -8.021 -11.704 -16.617 1.00 13.24 H new ATOM 0 HD2 HIS A 12 -8.000 -8.772 -13.989 1.00 0.11 H new ATOM 0 HE1 HIS A 12 -11.539 -11.051 -13.463 1.00 1.20 H new ATOM 0 HE2 HIS A 12 -10.284 -8.955 -12.747 1.00 13.43 H new ATOM 222 N MET A 13 -4.429 -10.692 -15.926 1.00 31.41 N ATOM 223 CA MET A 13 -3.210 -10.523 -16.707 1.00 65.43 C ATOM 224 C MET A 13 -2.131 -11.501 -16.251 1.00 35.32 C ATOM 225 O MET A 13 -1.482 -11.290 -15.226 1.00 50.15 O ATOM 226 CB MET A 13 -2.696 -9.087 -16.587 1.00 30.33 C ATOM 227 CG MET A 13 -3.753 -8.037 -16.885 1.00 53.22 C ATOM 228 SD MET A 13 -4.762 -8.455 -18.320 1.00 51.31 S ATOM 229 CE MET A 13 -3.744 -7.815 -19.648 1.00 1.15 C ATOM 0 H MET A 13 -4.635 -9.919 -15.293 1.00 31.41 H new ATOM 0 HA MET A 13 -3.446 -10.731 -17.751 1.00 65.43 H new ATOM 0 HB2 MET A 13 -2.313 -8.930 -15.579 1.00 30.33 H new ATOM 0 HB3 MET A 13 -1.858 -8.951 -17.271 1.00 30.33 H new ATOM 0 HG2 MET A 13 -4.398 -7.919 -16.014 1.00 53.22 H new ATOM 0 HG3 MET A 13 -3.267 -7.076 -17.055 1.00 53.22 H new ATOM 0 HE1 MET A 13 -4.371 -7.585 -20.509 1.00 1.15 H new ATOM 0 HE2 MET A 13 -3.239 -6.908 -19.315 1.00 1.15 H new ATOM 0 HE3 MET A 13 -3.001 -8.561 -19.929 1.00 1.15 H new ATOM 239 N ASP A 14 -1.947 -12.571 -17.016 1.00 42.05 N ATOM 240 CA ASP A 14 -0.947 -13.581 -16.691 1.00 22.13 C ATOM 241 C ASP A 14 0.109 -13.675 -17.788 1.00 54.32 C ATOM 242 O ASP A 14 0.839 -14.661 -17.878 1.00 24.21 O ATOM 243 CB ASP A 14 -1.613 -14.943 -16.489 1.00 52.13 C ATOM 244 CG ASP A 14 -0.613 -16.034 -16.161 1.00 32.01 C ATOM 245 OD1 ASP A 14 0.457 -15.711 -15.603 1.00 54.51 O ATOM 246 OD2 ASP A 14 -0.901 -17.211 -16.461 1.00 24.51 O ATOM 0 H ASP A 14 -2.478 -12.761 -17.866 1.00 42.05 H new ATOM 0 HA ASP A 14 -0.456 -13.284 -15.764 1.00 22.13 H new ATOM 0 HB2 ASP A 14 -2.344 -14.871 -15.684 1.00 52.13 H new ATOM 0 HB3 ASP A 14 -2.159 -15.215 -17.392 1.00 52.13 H new ATOM 251 N SER A 15 0.182 -12.642 -18.622 1.00 14.13 N ATOM 252 CA SER A 15 1.144 -12.610 -19.717 1.00 1.34 C ATOM 253 C SER A 15 2.423 -13.351 -19.338 1.00 34.30 C ATOM 254 O SER A 15 2.962 -14.125 -20.129 1.00 72.21 O ATOM 255 CB SER A 15 1.472 -11.164 -20.093 1.00 3.41 C ATOM 256 OG SER A 15 1.750 -10.387 -18.940 1.00 62.24 O ATOM 0 H SER A 15 -0.414 -11.816 -18.560 1.00 14.13 H new ATOM 0 HA SER A 15 0.696 -13.109 -20.576 1.00 1.34 H new ATOM 0 HB2 SER A 15 2.331 -11.145 -20.764 1.00 3.41 H new ATOM 0 HB3 SER A 15 0.634 -10.727 -20.636 1.00 3.41 H new ATOM 0 HG SER A 15 1.958 -9.468 -19.208 1.00 62.24 H new ATOM 262 N ASP A 16 2.902 -13.109 -18.123 1.00 12.30 N ATOM 263 CA ASP A 16 4.116 -13.754 -17.637 1.00 42.42 C ATOM 264 C ASP A 16 4.144 -15.227 -18.031 1.00 33.22 C ATOM 265 O ASP A 16 5.115 -15.705 -18.616 1.00 70.54 O ATOM 266 CB ASP A 16 4.219 -13.617 -16.117 1.00 52.23 C ATOM 267 CG ASP A 16 4.041 -12.185 -15.652 1.00 22.04 C ATOM 268 OD1 ASP A 16 4.693 -11.289 -16.227 1.00 62.23 O ATOM 269 OD2 ASP A 16 3.251 -11.960 -14.711 1.00 31.42 O ATOM 0 H ASP A 16 2.468 -12.471 -17.456 1.00 12.30 H new ATOM 0 HA ASP A 16 4.970 -13.258 -18.097 1.00 42.42 H new ATOM 0 HB2 ASP A 16 3.463 -14.246 -15.646 1.00 52.23 H new ATOM 0 HB3 ASP A 16 5.190 -13.985 -15.787 1.00 52.23 H new ATOM 274 N SER A 17 3.072 -15.942 -17.704 1.00 54.20 N ATOM 275 CA SER A 17 2.975 -17.362 -18.019 1.00 73.31 C ATOM 276 C SER A 17 3.265 -17.612 -19.496 1.00 32.10 C ATOM 277 O SER A 17 3.487 -16.676 -20.263 1.00 41.33 O ATOM 278 CB SER A 17 1.584 -17.891 -17.664 1.00 72.32 C ATOM 279 OG SER A 17 1.595 -19.301 -17.523 1.00 61.31 O ATOM 0 H SER A 17 2.259 -15.561 -17.221 1.00 54.20 H new ATOM 0 HA SER A 17 3.720 -17.892 -17.426 1.00 73.31 H new ATOM 0 HB2 SER A 17 1.243 -17.432 -16.736 1.00 72.32 H new ATOM 0 HB3 SER A 17 0.874 -17.606 -18.440 1.00 72.32 H new ATOM 0 HG SER A 17 0.749 -19.669 -17.854 1.00 61.31 H new ATOM 285 N SER A 18 3.261 -18.883 -19.887 1.00 13.43 N ATOM 286 CA SER A 18 3.527 -19.258 -21.270 1.00 50.34 C ATOM 287 C SER A 18 2.365 -20.059 -21.849 1.00 60.23 C ATOM 288 O SER A 18 1.600 -20.701 -21.129 1.00 24.31 O ATOM 289 CB SER A 18 4.819 -20.073 -21.361 1.00 14.34 C ATOM 290 OG SER A 18 5.953 -19.226 -21.416 1.00 3.34 O ATOM 0 H SER A 18 3.076 -19.670 -19.265 1.00 13.43 H new ATOM 0 HA SER A 18 3.641 -18.344 -21.852 1.00 50.34 H new ATOM 0 HB2 SER A 18 4.897 -20.735 -20.498 1.00 14.34 H new ATOM 0 HB3 SER A 18 4.791 -20.707 -22.247 1.00 14.34 H new ATOM 0 HG SER A 18 6.766 -19.771 -21.472 1.00 3.34 H new ATOM 296 N PRO A 19 2.228 -20.022 -23.183 1.00 50.10 N ATOM 297 CA PRO A 19 1.163 -20.739 -23.890 1.00 35.03 C ATOM 298 C PRO A 19 1.359 -22.251 -23.854 1.00 51.20 C ATOM 299 O PRO A 19 2.221 -22.757 -23.136 1.00 62.55 O ATOM 300 CB PRO A 19 1.276 -20.219 -25.325 1.00 1.22 C ATOM 301 CG PRO A 19 2.695 -19.785 -25.459 1.00 50.12 C ATOM 302 CD PRO A 19 3.103 -19.277 -24.104 1.00 31.00 C ATOM 0 HA PRO A 19 0.187 -20.568 -23.436 1.00 35.03 H new ATOM 0 HB2 PRO A 19 1.030 -20.996 -26.048 1.00 1.22 H new ATOM 0 HB3 PRO A 19 0.590 -19.390 -25.501 1.00 1.22 H new ATOM 0 HG2 PRO A 19 3.329 -20.615 -25.772 1.00 50.12 H new ATOM 0 HG3 PRO A 19 2.795 -19.005 -26.214 1.00 50.12 H new ATOM 0 HD2 PRO A 19 4.157 -19.471 -23.903 1.00 31.00 H new ATOM 0 HD3 PRO A 19 2.955 -18.201 -24.017 1.00 31.00 H new ATOM 310 N SER A 20 0.554 -22.966 -24.633 1.00 71.13 N ATOM 311 CA SER A 20 0.637 -24.421 -24.688 1.00 45.21 C ATOM 312 C SER A 20 0.579 -25.021 -23.287 1.00 24.52 C ATOM 313 O SER A 20 1.181 -26.062 -23.020 1.00 3.52 O ATOM 314 CB SER A 20 1.928 -24.853 -25.387 1.00 52.33 C ATOM 315 OG SER A 20 1.868 -26.215 -25.772 1.00 71.32 O ATOM 0 H SER A 20 -0.163 -22.562 -25.235 1.00 71.13 H new ATOM 0 HA SER A 20 -0.217 -24.788 -25.258 1.00 45.21 H new ATOM 0 HB2 SER A 20 2.095 -24.230 -26.266 1.00 52.33 H new ATOM 0 HB3 SER A 20 2.776 -24.697 -24.720 1.00 52.33 H new ATOM 0 HG SER A 20 1.608 -26.762 -25.001 1.00 71.32 H new ATOM 321 N SER A 21 -0.150 -24.358 -22.395 1.00 63.12 N ATOM 322 CA SER A 21 -0.284 -24.823 -21.020 1.00 32.04 C ATOM 323 C SER A 21 -1.740 -25.146 -20.695 1.00 64.02 C ATOM 324 O SER A 21 -2.122 -25.234 -19.529 1.00 13.14 O ATOM 325 CB SER A 21 0.244 -23.766 -20.048 1.00 24.43 C ATOM 326 OG SER A 21 1.637 -23.566 -20.220 1.00 34.11 O ATOM 0 H SER A 21 -0.657 -23.497 -22.600 1.00 63.12 H new ATOM 0 HA SER A 21 0.305 -25.733 -20.912 1.00 32.04 H new ATOM 0 HB2 SER A 21 -0.284 -22.826 -20.206 1.00 24.43 H new ATOM 0 HB3 SER A 21 0.042 -24.076 -19.023 1.00 24.43 H new ATOM 0 HG SER A 21 1.801 -22.650 -20.526 1.00 34.11 H new ATOM 332 N SER A 22 -2.547 -25.322 -21.737 1.00 5.32 N ATOM 333 CA SER A 22 -3.961 -25.631 -21.564 1.00 70.22 C ATOM 334 C SER A 22 -4.152 -26.743 -20.538 1.00 34.44 C ATOM 335 O SER A 22 -5.260 -26.969 -20.050 1.00 22.12 O ATOM 336 CB SER A 22 -4.581 -26.043 -22.901 1.00 14.03 C ATOM 337 OG SER A 22 -4.113 -27.316 -23.310 1.00 21.33 O ATOM 0 H SER A 22 -2.245 -25.256 -22.709 1.00 5.32 H new ATOM 0 HA SER A 22 -4.462 -24.734 -21.200 1.00 70.22 H new ATOM 0 HB2 SER A 22 -5.667 -26.063 -22.811 1.00 14.03 H new ATOM 0 HB3 SER A 22 -4.338 -25.301 -23.662 1.00 14.03 H new ATOM 0 HG SER A 22 -4.525 -27.557 -24.166 1.00 21.33 H new ATOM 343 N SER A 23 -3.065 -27.436 -20.215 1.00 4.55 N ATOM 344 CA SER A 23 -3.112 -28.527 -19.249 1.00 21.21 C ATOM 345 C SER A 23 -3.697 -28.054 -17.922 1.00 4.43 C ATOM 346 O SER A 23 -4.896 -28.185 -17.675 1.00 51.13 O ATOM 347 CB SER A 23 -1.711 -29.101 -19.026 1.00 51.55 C ATOM 348 OG SER A 23 -1.285 -29.856 -20.147 1.00 75.40 O ATOM 0 H SER A 23 -2.140 -27.261 -20.608 1.00 4.55 H new ATOM 0 HA SER A 23 -3.757 -29.308 -19.652 1.00 21.21 H new ATOM 0 HB2 SER A 23 -1.007 -28.289 -18.841 1.00 51.55 H new ATOM 0 HB3 SER A 23 -1.710 -29.732 -18.137 1.00 51.55 H new ATOM 0 HG SER A 23 -0.387 -30.210 -19.980 1.00 75.40 H new ATOM 354 N THR A 24 -2.840 -27.501 -17.068 1.00 61.42 N ATOM 355 CA THR A 24 -3.269 -27.009 -15.765 1.00 52.24 C ATOM 356 C THR A 24 -3.032 -25.508 -15.640 1.00 20.35 C ATOM 357 O THR A 24 -3.222 -24.928 -14.571 1.00 1.54 O ATOM 358 CB THR A 24 -2.533 -27.731 -14.621 1.00 72.23 C ATOM 359 OG1 THR A 24 -1.120 -27.535 -14.746 1.00 53.54 O ATOM 360 CG2 THR A 24 -2.846 -29.220 -14.632 1.00 1.15 C ATOM 0 H THR A 24 -1.844 -27.383 -17.256 1.00 61.42 H new ATOM 0 HA THR A 24 -4.337 -27.214 -15.685 1.00 52.24 H new ATOM 0 HB THR A 24 -2.875 -27.310 -13.676 1.00 72.23 H new ATOM 0 HG1 THR A 24 -0.660 -27.996 -14.014 1.00 53.54 H new ATOM 0 HG21 THR A 24 -2.315 -29.709 -13.815 1.00 1.15 H new ATOM 0 HG22 THR A 24 -3.919 -29.367 -14.507 1.00 1.15 H new ATOM 0 HG23 THR A 24 -2.528 -29.652 -15.581 1.00 1.15 H new ATOM 368 N TYR A 25 -2.617 -24.886 -16.737 1.00 2.31 N ATOM 369 CA TYR A 25 -2.352 -23.452 -16.748 1.00 51.15 C ATOM 370 C TYR A 25 -3.279 -22.719 -15.783 1.00 62.12 C ATOM 371 O TYR A 25 -2.824 -22.029 -14.870 1.00 72.22 O ATOM 372 CB TYR A 25 -2.523 -22.892 -18.162 1.00 10.25 C ATOM 373 CG TYR A 25 -2.488 -21.381 -18.223 1.00 30.54 C ATOM 374 CD1 TYR A 25 -3.554 -20.623 -17.755 1.00 11.04 C ATOM 375 CD2 TYR A 25 -1.390 -20.713 -18.749 1.00 2.11 C ATOM 376 CE1 TYR A 25 -3.527 -19.243 -17.809 1.00 11.22 C ATOM 377 CE2 TYR A 25 -1.353 -19.333 -18.806 1.00 34.12 C ATOM 378 CZ TYR A 25 -2.424 -18.603 -18.335 1.00 14.42 C ATOM 379 OH TYR A 25 -2.393 -17.228 -18.391 1.00 64.01 O ATOM 0 H TYR A 25 -2.457 -25.352 -17.630 1.00 2.31 H new ATOM 0 HA TYR A 25 -1.323 -23.296 -16.424 1.00 51.15 H new ATOM 0 HB2 TYR A 25 -1.734 -23.291 -18.800 1.00 10.25 H new ATOM 0 HB3 TYR A 25 -3.471 -23.242 -18.570 1.00 10.25 H new ATOM 0 HD1 TYR A 25 -4.419 -21.121 -17.342 1.00 11.04 H new ATOM 0 HD2 TYR A 25 -0.550 -21.282 -19.120 1.00 2.11 H new ATOM 0 HE1 TYR A 25 -4.364 -18.669 -17.442 1.00 11.22 H new ATOM 0 HE2 TYR A 25 -0.491 -18.829 -19.217 1.00 34.12 H new ATOM 0 HH TYR A 25 -1.470 -16.917 -18.286 1.00 64.01 H new ATOM 389 N CYS A 26 -4.582 -22.874 -15.992 1.00 21.32 N ATOM 390 CA CYS A 26 -5.575 -22.229 -15.142 1.00 11.11 C ATOM 391 C CYS A 26 -5.678 -22.935 -13.793 1.00 1.31 C ATOM 392 O CYS A 26 -5.420 -22.339 -12.748 1.00 40.10 O ATOM 393 CB CYS A 26 -6.941 -22.223 -15.832 1.00 3.41 C ATOM 394 SG CYS A 26 -7.009 -21.196 -17.335 1.00 74.13 S ATOM 0 H CYS A 26 -4.975 -23.441 -16.743 1.00 21.32 H new ATOM 0 HA CYS A 26 -5.257 -21.201 -14.971 1.00 11.11 H new ATOM 0 HB2 CYS A 26 -7.210 -23.247 -16.092 1.00 3.41 H new ATOM 0 HB3 CYS A 26 -7.691 -21.866 -15.126 1.00 3.41 H new ATOM 399 N ASN A 27 -6.056 -24.208 -13.825 1.00 74.40 N ATOM 400 CA ASN A 27 -6.194 -24.996 -12.605 1.00 43.12 C ATOM 401 C ASN A 27 -5.166 -24.567 -11.562 1.00 55.40 C ATOM 402 O ASN A 27 -5.429 -24.619 -10.361 1.00 21.41 O ATOM 403 CB ASN A 27 -6.031 -26.486 -12.914 1.00 55.42 C ATOM 404 CG ASN A 27 -6.215 -27.354 -11.685 1.00 34.41 C ATOM 405 OD1 ASN A 27 -6.348 -26.851 -10.569 1.00 51.24 O ATOM 406 ND2 ASN A 27 -6.224 -28.667 -11.884 1.00 61.34 N ATOM 0 H ASN A 27 -6.272 -24.717 -14.682 1.00 74.40 H new ATOM 0 HA ASN A 27 -7.191 -24.822 -12.201 1.00 43.12 H new ATOM 0 HB2 ASN A 27 -6.756 -26.778 -13.674 1.00 55.42 H new ATOM 0 HB3 ASN A 27 -5.041 -26.661 -13.334 1.00 55.42 H new ATOM 0 HD21 ASN A 27 -6.345 -29.302 -11.095 1.00 61.34 H new ATOM 0 HD22 ASN A 27 -6.110 -29.041 -12.826 1.00 61.34 H new ATOM 413 N GLN A 28 -3.998 -24.142 -12.031 1.00 5.35 N ATOM 414 CA GLN A 28 -2.931 -23.703 -11.138 1.00 32.41 C ATOM 415 C GLN A 28 -2.920 -22.184 -11.009 1.00 3.24 C ATOM 416 O GLN A 28 -3.097 -21.643 -9.918 1.00 14.14 O ATOM 417 CB GLN A 28 -1.575 -24.194 -11.649 1.00 55.11 C ATOM 418 CG GLN A 28 -1.272 -25.637 -11.281 1.00 75.42 C ATOM 419 CD GLN A 28 -1.487 -25.921 -9.808 1.00 20.44 C ATOM 420 OE1 GLN A 28 -0.618 -25.650 -8.978 1.00 53.53 O ATOM 421 NE2 GLN A 28 -2.649 -26.471 -9.473 1.00 65.24 N ATOM 0 H GLN A 28 -3.766 -24.092 -13.023 1.00 5.35 H new ATOM 0 HA GLN A 28 -3.116 -24.131 -10.153 1.00 32.41 H new ATOM 0 HB2 GLN A 28 -1.546 -24.091 -12.734 1.00 55.11 H new ATOM 0 HB3 GLN A 28 -0.791 -23.553 -11.247 1.00 55.11 H new ATOM 0 HG2 GLN A 28 -1.906 -26.299 -11.871 1.00 75.42 H new ATOM 0 HG3 GLN A 28 -0.239 -25.866 -11.544 1.00 75.42 H new ATOM 0 HE21 GLN A 28 -3.341 -26.679 -10.193 1.00 65.24 H new ATOM 0 HE22 GLN A 28 -2.849 -26.685 -8.496 1.00 65.24 H new ATOM 430 N MET A 29 -2.709 -21.501 -12.129 1.00 61.12 N ATOM 431 CA MET A 29 -2.675 -20.043 -12.141 1.00 33.25 C ATOM 432 C MET A 29 -3.651 -19.469 -11.118 1.00 41.02 C ATOM 433 O MET A 29 -3.241 -18.888 -10.114 1.00 1.40 O ATOM 434 CB MET A 29 -3.011 -19.515 -13.536 1.00 54.14 C ATOM 435 CG MET A 29 -1.791 -19.312 -14.420 1.00 20.05 C ATOM 436 SD MET A 29 -0.694 -18.021 -13.803 1.00 12.42 S ATOM 437 CE MET A 29 0.906 -18.781 -14.066 1.00 31.11 C ATOM 0 H MET A 29 -2.559 -21.934 -13.040 1.00 61.12 H new ATOM 0 HA MET A 29 -1.667 -19.725 -11.874 1.00 33.25 H new ATOM 0 HB2 MET A 29 -3.692 -20.212 -14.025 1.00 54.14 H new ATOM 0 HB3 MET A 29 -3.541 -18.567 -13.439 1.00 54.14 H new ATOM 0 HG2 MET A 29 -1.239 -20.249 -14.492 1.00 20.05 H new ATOM 0 HG3 MET A 29 -2.116 -19.056 -15.428 1.00 20.05 H new ATOM 0 HE1 MET A 29 1.683 -18.018 -14.024 1.00 31.11 H new ATOM 0 HE2 MET A 29 1.087 -19.526 -13.291 1.00 31.11 H new ATOM 0 HE3 MET A 29 0.924 -19.263 -15.044 1.00 31.11 H new ATOM 447 N MET A 30 -4.943 -19.636 -11.381 1.00 41.31 N ATOM 448 CA MET A 30 -5.976 -19.134 -10.483 1.00 32.04 C ATOM 449 C MET A 30 -5.651 -19.480 -9.033 1.00 72.51 C ATOM 450 O MET A 30 -5.963 -18.718 -8.118 1.00 44.22 O ATOM 451 CB MET A 30 -7.340 -19.714 -10.864 1.00 45.24 C ATOM 452 CG MET A 30 -8.037 -18.945 -11.975 1.00 33.31 C ATOM 453 SD MET A 30 -8.895 -17.478 -11.372 1.00 24.24 S ATOM 454 CE MET A 30 -7.529 -16.331 -11.207 1.00 64.44 C ATOM 0 H MET A 30 -5.299 -20.115 -12.208 1.00 41.31 H new ATOM 0 HA MET A 30 -6.011 -18.049 -10.581 1.00 32.04 H new ATOM 0 HB2 MET A 30 -7.211 -20.750 -11.176 1.00 45.24 H new ATOM 0 HB3 MET A 30 -7.981 -19.724 -9.982 1.00 45.24 H new ATOM 0 HG2 MET A 30 -7.302 -18.649 -12.723 1.00 33.31 H new ATOM 0 HG3 MET A 30 -8.752 -19.601 -12.472 1.00 33.31 H new ATOM 0 HE1 MET A 30 -7.813 -15.365 -11.623 1.00 64.44 H new ATOM 0 HE2 MET A 30 -7.279 -16.213 -10.153 1.00 64.44 H new ATOM 0 HE3 MET A 30 -6.663 -16.717 -11.744 1.00 64.44 H new ATOM 464 N ARG A 31 -5.024 -20.635 -8.831 1.00 52.25 N ATOM 465 CA ARG A 31 -4.659 -21.082 -7.493 1.00 21.12 C ATOM 466 C ARG A 31 -3.385 -20.390 -7.017 1.00 63.32 C ATOM 467 O ARG A 31 -3.417 -19.573 -6.097 1.00 22.21 O ATOM 468 CB ARG A 31 -4.465 -22.600 -7.474 1.00 54.52 C ATOM 469 CG ARG A 31 -3.940 -23.130 -6.151 1.00 25.34 C ATOM 470 CD ARG A 31 -2.421 -23.208 -6.145 1.00 62.14 C ATOM 471 NE ARG A 31 -1.921 -24.083 -5.088 1.00 72.13 N ATOM 472 CZ ARG A 31 -0.729 -24.668 -5.121 1.00 0.15 C ATOM 473 NH1 ARG A 31 0.082 -24.472 -6.151 1.00 52.51 N ATOM 474 NH2 ARG A 31 -0.345 -25.451 -4.120 1.00 53.32 N ATOM 0 H ARG A 31 -4.759 -21.278 -9.577 1.00 52.25 H new ATOM 0 HA ARG A 31 -5.471 -20.818 -6.815 1.00 21.12 H new ATOM 0 HB2 ARG A 31 -5.417 -23.082 -7.697 1.00 54.52 H new ATOM 0 HB3 ARG A 31 -3.773 -22.879 -8.268 1.00 54.52 H new ATOM 0 HG2 ARG A 31 -4.275 -22.483 -5.340 1.00 25.34 H new ATOM 0 HG3 ARG A 31 -4.357 -24.119 -5.963 1.00 25.34 H new ATOM 0 HD2 ARG A 31 -2.073 -23.572 -7.112 1.00 62.14 H new ATOM 0 HD3 ARG A 31 -2.007 -22.208 -6.014 1.00 62.14 H new ATOM 0 HE ARG A 31 -2.520 -24.254 -4.280 1.00 72.13 H new ATOM 0 HH11 ARG A 31 -0.209 -23.870 -6.922 1.00 52.51 H new ATOM 0 HH12 ARG A 31 0.997 -24.923 -6.173 1.00 52.51 H new ATOM 0 HH21 ARG A 31 -0.966 -25.604 -3.325 1.00 53.32 H new ATOM 0 HH22 ARG A 31 0.571 -25.900 -4.146 1.00 53.32 H new ATOM 488 N ARG A 32 -2.265 -20.724 -7.650 1.00 42.24 N ATOM 489 CA ARG A 32 -0.980 -20.136 -7.291 1.00 21.21 C ATOM 490 C ARG A 32 -1.118 -18.637 -7.043 1.00 50.11 C ATOM 491 O ARG A 32 -0.302 -18.035 -6.344 1.00 71.53 O ATOM 492 CB ARG A 32 0.048 -20.389 -8.396 1.00 15.22 C ATOM 493 CG ARG A 32 0.820 -21.687 -8.224 1.00 51.51 C ATOM 494 CD ARG A 32 2.218 -21.585 -8.814 1.00 11.13 C ATOM 495 NE ARG A 32 2.701 -22.874 -9.302 1.00 1.21 N ATOM 496 CZ ARG A 32 3.717 -23.005 -10.147 1.00 61.35 C ATOM 497 NH1 ARG A 32 4.354 -21.932 -10.596 1.00 31.42 N ATOM 498 NH2 ARG A 32 4.098 -24.212 -10.546 1.00 22.32 N ATOM 0 H ARG A 32 -2.222 -21.399 -8.414 1.00 42.24 H new ATOM 0 HA ARG A 32 -0.637 -20.609 -6.371 1.00 21.21 H new ATOM 0 HB2 ARG A 32 -0.463 -20.405 -9.359 1.00 15.22 H new ATOM 0 HB3 ARG A 32 0.753 -19.558 -8.422 1.00 15.22 H new ATOM 0 HG2 ARG A 32 0.888 -21.934 -7.164 1.00 51.51 H new ATOM 0 HG3 ARG A 32 0.278 -22.501 -8.707 1.00 51.51 H new ATOM 0 HD2 ARG A 32 2.214 -20.866 -9.633 1.00 11.13 H new ATOM 0 HD3 ARG A 32 2.904 -21.204 -8.058 1.00 11.13 H new ATOM 0 HE ARG A 32 2.233 -23.719 -8.976 1.00 1.21 H new ATOM 0 HH11 ARG A 32 4.064 -21.002 -10.292 1.00 31.42 H new ATOM 0 HH12 ARG A 32 5.134 -22.036 -11.245 1.00 31.42 H new ATOM 0 HH21 ARG A 32 3.610 -25.040 -10.204 1.00 22.32 H new ATOM 0 HH22 ARG A 32 4.878 -24.312 -11.195 1.00 22.32 H new ATOM 512 N ARG A 33 -2.155 -18.040 -7.621 1.00 14.12 N ATOM 513 CA ARG A 33 -2.399 -16.611 -7.464 1.00 72.12 C ATOM 514 C ARG A 33 -3.068 -16.317 -6.125 1.00 32.44 C ATOM 515 O ARG A 33 -3.617 -15.236 -5.918 1.00 3.13 O ATOM 516 CB ARG A 33 -3.274 -16.093 -8.608 1.00 24.04 C ATOM 517 CG ARG A 33 -2.635 -16.243 -9.979 1.00 10.33 C ATOM 518 CD ARG A 33 -1.817 -15.016 -10.349 1.00 44.31 C ATOM 519 NE ARG A 33 -0.916 -15.276 -11.469 1.00 21.23 N ATOM 520 CZ ARG A 33 0.123 -14.506 -11.771 1.00 1.53 C ATOM 521 NH1 ARG A 33 0.391 -13.432 -11.040 1.00 21.20 N ATOM 522 NH2 ARG A 33 0.897 -14.808 -12.805 1.00 72.33 N ATOM 0 H ARG A 33 -2.840 -18.523 -8.202 1.00 14.12 H new ATOM 0 HA ARG A 33 -1.437 -16.099 -7.490 1.00 72.12 H new ATOM 0 HB2 ARG A 33 -4.224 -16.628 -8.599 1.00 24.04 H new ATOM 0 HB3 ARG A 33 -3.499 -15.041 -8.434 1.00 24.04 H new ATOM 0 HG2 ARG A 33 -1.995 -17.125 -9.989 1.00 10.33 H new ATOM 0 HG3 ARG A 33 -3.411 -16.404 -10.728 1.00 10.33 H new ATOM 0 HD2 ARG A 33 -2.488 -14.197 -10.607 1.00 44.31 H new ATOM 0 HD3 ARG A 33 -1.237 -14.693 -9.485 1.00 44.31 H new ATOM 0 HE ARG A 33 -1.095 -16.094 -12.051 1.00 21.23 H new ATOM 0 HH11 ARG A 33 -0.202 -13.196 -10.244 1.00 21.20 H new ATOM 0 HH12 ARG A 33 1.190 -12.842 -11.274 1.00 21.20 H new ATOM 0 HH21 ARG A 33 0.695 -15.633 -13.370 1.00 72.33 H new ATOM 0 HH22 ARG A 33 1.695 -14.215 -13.035 1.00 72.33 H new ATOM 536 N ASN A 34 -3.019 -17.289 -5.219 1.00 4.43 N ATOM 537 CA ASN A 34 -3.621 -17.135 -3.899 1.00 42.34 C ATOM 538 C ASN A 34 -5.086 -16.724 -4.015 1.00 23.14 C ATOM 539 O ASN A 34 -5.542 -15.813 -3.324 1.00 24.52 O ATOM 540 CB ASN A 34 -2.851 -16.095 -3.083 1.00 21.05 C ATOM 541 CG ASN A 34 -3.019 -16.293 -1.589 1.00 31.55 C ATOM 542 OD1 ASN A 34 -4.091 -16.048 -1.035 1.00 40.52 O ATOM 543 ND2 ASN A 34 -1.957 -16.740 -0.928 1.00 33.41 N ATOM 0 H ASN A 34 -2.569 -18.191 -5.375 1.00 4.43 H new ATOM 0 HA ASN A 34 -3.571 -18.097 -3.389 1.00 42.34 H new ATOM 0 HB2 ASN A 34 -1.792 -16.149 -3.337 1.00 21.05 H new ATOM 0 HB3 ASN A 34 -3.194 -15.097 -3.355 1.00 21.05 H new ATOM 0 HD21 ASN A 34 -2.010 -16.893 0.079 1.00 33.41 H new ATOM 0 HD22 ASN A 34 -1.088 -16.930 -1.427 1.00 33.41 H new ATOM 550 N MET A 35 -5.818 -17.403 -4.892 1.00 45.11 N ATOM 551 CA MET A 35 -7.231 -17.110 -5.096 1.00 54.24 C ATOM 552 C MET A 35 -8.094 -18.316 -4.737 1.00 41.34 C ATOM 553 O MET A 35 -9.321 -18.224 -4.695 1.00 73.12 O ATOM 554 CB MET A 35 -7.485 -16.701 -6.549 1.00 22.13 C ATOM 555 CG MET A 35 -8.742 -15.867 -6.735 1.00 3.33 C ATOM 556 SD MET A 35 -9.385 -15.946 -8.417 1.00 51.32 S ATOM 557 CE MET A 35 -10.243 -14.377 -8.526 1.00 32.34 C ATOM 0 H MET A 35 -5.456 -18.160 -5.472 1.00 45.11 H new ATOM 0 HA MET A 35 -7.503 -16.283 -4.440 1.00 54.24 H new ATOM 0 HB2 MET A 35 -6.627 -16.136 -6.914 1.00 22.13 H new ATOM 0 HB3 MET A 35 -7.560 -17.599 -7.163 1.00 22.13 H new ATOM 0 HG2 MET A 35 -9.508 -16.212 -6.041 1.00 3.33 H new ATOM 0 HG3 MET A 35 -8.526 -14.829 -6.481 1.00 3.33 H new ATOM 0 HE1 MET A 35 -10.696 -14.278 -9.513 1.00 32.34 H new ATOM 0 HE2 MET A 35 -11.021 -14.334 -7.764 1.00 32.34 H new ATOM 0 HE3 MET A 35 -9.535 -13.563 -8.368 1.00 32.34 H new ATOM 567 N THR A 36 -7.444 -19.447 -4.479 1.00 55.34 N ATOM 568 CA THR A 36 -8.152 -20.671 -4.126 1.00 0.33 C ATOM 569 C THR A 36 -7.773 -21.140 -2.726 1.00 25.30 C ATOM 570 O THR A 36 -8.114 -22.251 -2.321 1.00 64.21 O ATOM 571 CB THR A 36 -7.858 -21.800 -5.131 1.00 61.11 C ATOM 572 OG1 THR A 36 -6.453 -22.074 -5.163 1.00 22.12 O ATOM 573 CG2 THR A 36 -8.338 -21.423 -6.524 1.00 43.34 C ATOM 0 H THR A 36 -6.429 -19.540 -4.508 1.00 55.34 H new ATOM 0 HA THR A 36 -9.217 -20.440 -4.153 1.00 0.33 H new ATOM 0 HB THR A 36 -8.394 -22.692 -4.808 1.00 61.11 H new ATOM 0 HG1 THR A 36 -6.290 -22.986 -4.843 1.00 22.12 H new ATOM 0 HG21 THR A 36 -8.119 -22.236 -7.217 1.00 43.34 H new ATOM 0 HG22 THR A 36 -9.413 -21.244 -6.502 1.00 43.34 H new ATOM 0 HG23 THR A 36 -7.826 -20.519 -6.853 1.00 43.34 H new ATOM 581 N GLN A 37 -7.066 -20.287 -1.992 1.00 2.11 N ATOM 582 CA GLN A 37 -6.640 -20.616 -0.637 1.00 34.14 C ATOM 583 C GLN A 37 -7.839 -20.713 0.302 1.00 42.42 C ATOM 584 O GLN A 37 -7.693 -21.032 1.481 1.00 45.12 O ATOM 585 CB GLN A 37 -5.656 -19.566 -0.119 1.00 62.03 C ATOM 586 CG GLN A 37 -4.322 -19.571 -0.849 1.00 20.14 C ATOM 587 CD GLN A 37 -3.337 -20.560 -0.257 1.00 10.12 C ATOM 588 OE1 GLN A 37 -3.681 -21.341 0.630 1.00 34.52 O ATOM 589 NE2 GLN A 37 -2.103 -20.531 -0.746 1.00 22.21 N ATOM 0 H GLN A 37 -6.776 -19.363 -2.313 1.00 2.11 H new ATOM 0 HA GLN A 37 -6.143 -21.586 -0.665 1.00 34.14 H new ATOM 0 HB2 GLN A 37 -6.108 -18.579 -0.212 1.00 62.03 H new ATOM 0 HB3 GLN A 37 -5.480 -19.737 0.943 1.00 62.03 H new ATOM 0 HG2 GLN A 37 -4.487 -19.813 -1.899 1.00 20.14 H new ATOM 0 HG3 GLN A 37 -3.891 -18.571 -0.817 1.00 20.14 H new ATOM 0 HE21 GLN A 37 -1.861 -19.867 -1.481 1.00 22.21 H new ATOM 0 HE22 GLN A 37 -1.397 -21.173 -0.386 1.00 22.21 H new ATOM 598 N GLY A 38 -9.025 -20.434 -0.230 1.00 51.23 N ATOM 599 CA GLY A 38 -10.231 -20.494 0.574 1.00 35.20 C ATOM 600 C GLY A 38 -11.319 -21.327 -0.074 1.00 73.32 C ATOM 601 O GLY A 38 -12.056 -22.038 0.609 1.00 35.03 O ATOM 0 H GLY A 38 -9.172 -20.167 -1.204 1.00 51.23 H new ATOM 0 HA2 GLY A 38 -9.992 -20.912 1.552 1.00 35.20 H new ATOM 0 HA3 GLY A 38 -10.603 -19.483 0.742 1.00 35.20 H new ATOM 605 N ARG A 39 -11.421 -21.239 -1.396 1.00 74.13 N ATOM 606 CA ARG A 39 -12.429 -21.989 -2.136 1.00 53.34 C ATOM 607 C ARG A 39 -11.968 -22.254 -3.567 1.00 13.13 C ATOM 608 O ARG A 39 -10.889 -21.821 -3.973 1.00 35.00 O ATOM 609 CB ARG A 39 -13.755 -21.226 -2.150 1.00 12.31 C ATOM 610 CG ARG A 39 -13.591 -19.721 -2.293 1.00 21.54 C ATOM 611 CD ARG A 39 -14.771 -18.973 -1.693 1.00 52.25 C ATOM 612 NE ARG A 39 -14.434 -17.590 -1.367 1.00 44.13 N ATOM 613 CZ ARG A 39 -15.321 -16.697 -0.945 1.00 55.41 C ATOM 614 NH1 ARG A 39 -16.594 -17.040 -0.798 1.00 43.23 N ATOM 615 NH2 ARG A 39 -14.937 -15.457 -0.668 1.00 72.13 N ATOM 0 H ARG A 39 -10.818 -20.656 -1.977 1.00 74.13 H new ATOM 0 HA ARG A 39 -12.573 -22.946 -1.635 1.00 53.34 H new ATOM 0 HB2 ARG A 39 -14.368 -21.596 -2.972 1.00 12.31 H new ATOM 0 HB3 ARG A 39 -14.296 -21.438 -1.228 1.00 12.31 H new ATOM 0 HG2 ARG A 39 -12.671 -19.406 -1.801 1.00 21.54 H new ATOM 0 HG3 ARG A 39 -13.493 -19.463 -3.348 1.00 21.54 H new ATOM 0 HD2 ARG A 39 -15.604 -18.987 -2.396 1.00 52.25 H new ATOM 0 HD3 ARG A 39 -15.105 -19.487 -0.792 1.00 52.25 H new ATOM 0 HE ARG A 39 -13.463 -17.294 -1.469 1.00 44.13 H new ATOM 0 HH11 ARG A 39 -16.893 -17.992 -1.009 1.00 43.23 H new ATOM 0 HH12 ARG A 39 -17.273 -16.352 -0.474 1.00 43.23 H new ATOM 0 HH21 ARG A 39 -13.959 -15.189 -0.779 1.00 72.13 H new ATOM 0 HH22 ARG A 39 -15.620 -14.772 -0.344 1.00 72.13 H new ATOM 629 N CYS A 40 -12.793 -22.968 -4.326 1.00 25.34 N ATOM 630 CA CYS A 40 -12.470 -23.293 -5.710 1.00 13.31 C ATOM 631 C CYS A 40 -13.141 -22.313 -6.668 1.00 43.25 C ATOM 632 O CYS A 40 -14.365 -22.296 -6.801 1.00 44.53 O ATOM 633 CB CYS A 40 -12.908 -24.722 -6.036 1.00 22.12 C ATOM 634 SG CYS A 40 -11.555 -25.941 -5.995 1.00 20.44 S ATOM 0 H CYS A 40 -13.690 -23.332 -4.006 1.00 25.34 H new ATOM 0 HA CYS A 40 -11.390 -23.214 -5.834 1.00 13.31 H new ATOM 0 HB2 CYS A 40 -13.678 -25.026 -5.327 1.00 22.12 H new ATOM 0 HB3 CYS A 40 -13.364 -24.734 -7.026 1.00 22.12 H new ATOM 639 N LYS A 41 -12.330 -21.498 -7.335 1.00 52.12 N ATOM 640 CA LYS A 41 -12.843 -20.516 -8.283 1.00 45.41 C ATOM 641 C LYS A 41 -13.772 -21.173 -9.298 1.00 54.43 C ATOM 642 O LYS A 41 -13.460 -22.211 -9.881 1.00 62.02 O ATOM 643 CB LYS A 41 -11.686 -19.824 -9.008 1.00 65.31 C ATOM 644 CG LYS A 41 -12.022 -18.426 -9.496 1.00 11.23 C ATOM 645 CD LYS A 41 -12.743 -18.460 -10.833 1.00 13.23 C ATOM 646 CE LYS A 41 -11.918 -19.173 -11.893 1.00 32.11 C ATOM 647 NZ LYS A 41 -12.263 -20.619 -11.985 1.00 13.24 N ATOM 0 H LYS A 41 -11.315 -21.498 -7.236 1.00 52.12 H new ATOM 0 HA LYS A 41 -13.411 -19.772 -7.725 1.00 45.41 H new ATOM 0 HB2 LYS A 41 -10.829 -19.769 -8.337 1.00 65.31 H new ATOM 0 HB3 LYS A 41 -11.385 -20.434 -9.860 1.00 65.31 H new ATOM 0 HG2 LYS A 41 -12.646 -17.922 -8.758 1.00 11.23 H new ATOM 0 HG3 LYS A 41 -11.106 -17.843 -9.590 1.00 11.23 H new ATOM 0 HD2 LYS A 41 -13.703 -18.964 -10.717 1.00 13.23 H new ATOM 0 HD3 LYS A 41 -12.955 -17.442 -11.159 1.00 13.23 H new ATOM 0 HE2 LYS A 41 -12.082 -18.698 -12.861 1.00 32.11 H new ATOM 0 HE3 LYS A 41 -10.858 -19.067 -11.661 1.00 32.11 H new ATOM 0 HZ1 LYS A 41 -11.495 -21.186 -11.573 1.00 13.24 H new ATOM 0 HZ2 LYS A 41 -13.145 -20.799 -11.464 1.00 13.24 H new ATOM 0 HZ3 LYS A 41 -12.391 -20.883 -12.983 1.00 13.24 H new ATOM 661 N PRO A 42 -14.942 -20.554 -9.517 1.00 74.42 N ATOM 662 CA PRO A 42 -15.940 -21.061 -10.464 1.00 53.20 C ATOM 663 C PRO A 42 -15.486 -20.925 -11.913 1.00 63.32 C ATOM 664 O PRO A 42 -15.433 -21.908 -12.652 1.00 61.44 O ATOM 665 CB PRO A 42 -17.160 -20.175 -10.201 1.00 54.43 C ATOM 666 CG PRO A 42 -16.599 -18.913 -9.644 1.00 2.55 C ATOM 667 CD PRO A 42 -15.381 -19.313 -8.858 1.00 1.13 C ATOM 0 HA PRO A 42 -16.130 -22.125 -10.325 1.00 53.20 H new ATOM 0 HB2 PRO A 42 -17.719 -19.989 -11.118 1.00 54.43 H new ATOM 0 HB3 PRO A 42 -17.848 -20.646 -9.499 1.00 54.43 H new ATOM 0 HG2 PRO A 42 -16.338 -18.217 -10.441 1.00 2.55 H new ATOM 0 HG3 PRO A 42 -17.327 -18.410 -9.007 1.00 2.55 H new ATOM 0 HD2 PRO A 42 -14.609 -18.544 -8.894 1.00 1.13 H new ATOM 0 HD3 PRO A 42 -15.617 -19.478 -7.807 1.00 1.13 H new ATOM 675 N VAL A 43 -15.158 -19.701 -12.314 1.00 25.03 N ATOM 676 CA VAL A 43 -14.706 -19.437 -13.675 1.00 24.34 C ATOM 677 C VAL A 43 -14.139 -18.028 -13.802 1.00 5.11 C ATOM 678 O VAL A 43 -14.508 -17.129 -13.048 1.00 52.20 O ATOM 679 CB VAL A 43 -15.851 -19.612 -14.690 1.00 4.21 C ATOM 680 CG1 VAL A 43 -17.165 -19.121 -14.103 1.00 1.34 C ATOM 681 CG2 VAL A 43 -15.530 -18.881 -15.985 1.00 23.00 C ATOM 0 H VAL A 43 -15.197 -18.876 -11.715 1.00 25.03 H new ATOM 0 HA VAL A 43 -13.922 -20.162 -13.895 1.00 24.34 H new ATOM 0 HB VAL A 43 -15.956 -20.674 -14.914 1.00 4.21 H new ATOM 0 HG11 VAL A 43 -17.962 -19.253 -14.835 1.00 1.34 H new ATOM 0 HG12 VAL A 43 -17.399 -19.693 -13.205 1.00 1.34 H new ATOM 0 HG13 VAL A 43 -17.077 -18.065 -13.848 1.00 1.34 H new ATOM 0 HG21 VAL A 43 -16.349 -19.015 -16.691 1.00 23.00 H new ATOM 0 HG22 VAL A 43 -15.398 -17.819 -15.780 1.00 23.00 H new ATOM 0 HG23 VAL A 43 -14.613 -19.285 -16.413 1.00 23.00 H new ATOM 691 N ASN A 44 -13.238 -17.843 -14.762 1.00 54.41 N ATOM 692 CA ASN A 44 -12.619 -16.542 -14.989 1.00 14.33 C ATOM 693 C ASN A 44 -11.879 -16.516 -16.323 1.00 34.43 C ATOM 694 O ASN A 44 -11.826 -17.519 -17.035 1.00 62.34 O ATOM 695 CB ASN A 44 -11.653 -16.208 -13.850 1.00 71.23 C ATOM 696 CG ASN A 44 -11.304 -14.733 -13.802 1.00 31.24 C ATOM 697 OD1 ASN A 44 -12.141 -13.876 -14.085 1.00 73.10 O ATOM 698 ND2 ASN A 44 -10.062 -14.431 -13.441 1.00 53.23 N ATOM 0 H ASN A 44 -12.921 -18.577 -15.395 1.00 54.41 H new ATOM 0 HA ASN A 44 -13.409 -15.792 -15.018 1.00 14.33 H new ATOM 0 HB2 ASN A 44 -12.099 -16.504 -12.900 1.00 71.23 H new ATOM 0 HB3 ASN A 44 -10.740 -16.791 -13.969 1.00 71.23 H new ATOM 0 HD21 ASN A 44 -9.769 -13.455 -13.390 1.00 53.23 H new ATOM 0 HD22 ASN A 44 -9.401 -15.175 -13.215 1.00 53.23 H new ATOM 705 N THR A 45 -11.308 -15.363 -16.655 1.00 14.42 N ATOM 706 CA THR A 45 -10.572 -15.205 -17.903 1.00 30.54 C ATOM 707 C THR A 45 -9.212 -14.560 -17.661 1.00 53.01 C ATOM 708 O THR A 45 -9.094 -13.609 -16.888 1.00 41.23 O ATOM 709 CB THR A 45 -11.359 -14.354 -18.916 1.00 53.41 C ATOM 710 OG1 THR A 45 -12.766 -14.527 -18.714 1.00 12.14 O ATOM 711 CG2 THR A 45 -10.996 -14.737 -20.343 1.00 11.22 C ATOM 0 H THR A 45 -11.341 -14.524 -16.076 1.00 14.42 H new ATOM 0 HA THR A 45 -10.429 -16.204 -18.314 1.00 30.54 H new ATOM 0 HB THR A 45 -11.096 -13.308 -18.759 1.00 53.41 H new ATOM 0 HG1 THR A 45 -13.256 -14.112 -19.454 1.00 12.14 H new ATOM 0 HG21 THR A 45 -11.565 -14.122 -21.041 1.00 11.22 H new ATOM 0 HG22 THR A 45 -9.930 -14.576 -20.503 1.00 11.22 H new ATOM 0 HG23 THR A 45 -11.233 -15.788 -20.509 1.00 11.22 H new ATOM 719 N PHE A 46 -8.188 -15.082 -18.327 1.00 61.32 N ATOM 720 CA PHE A 46 -6.835 -14.557 -18.184 1.00 52.54 C ATOM 721 C PHE A 46 -6.394 -13.838 -19.456 1.00 40.11 C ATOM 722 O PHE A 46 -7.160 -13.717 -20.412 1.00 13.31 O ATOM 723 CB PHE A 46 -5.857 -15.687 -17.859 1.00 34.43 C ATOM 724 CG PHE A 46 -5.590 -15.844 -16.389 1.00 42.11 C ATOM 725 CD1 PHE A 46 -6.571 -15.545 -15.457 1.00 64.22 C ATOM 726 CD2 PHE A 46 -4.357 -16.289 -15.939 1.00 71.25 C ATOM 727 CE1 PHE A 46 -6.328 -15.688 -14.104 1.00 22.40 C ATOM 728 CE2 PHE A 46 -4.109 -16.435 -14.588 1.00 3.33 C ATOM 729 CZ PHE A 46 -5.095 -16.133 -13.669 1.00 2.22 C ATOM 0 H PHE A 46 -8.269 -15.868 -18.971 1.00 61.32 H new ATOM 0 HA PHE A 46 -6.836 -13.840 -17.363 1.00 52.54 H new ATOM 0 HB2 PHE A 46 -6.254 -16.624 -18.250 1.00 34.43 H new ATOM 0 HB3 PHE A 46 -4.914 -15.500 -18.374 1.00 34.43 H new ATOM 0 HD1 PHE A 46 -7.537 -15.196 -15.792 1.00 64.22 H new ATOM 0 HD2 PHE A 46 -3.581 -16.524 -16.653 1.00 71.25 H new ATOM 0 HE1 PHE A 46 -7.101 -15.452 -13.388 1.00 22.40 H new ATOM 0 HE2 PHE A 46 -3.145 -16.785 -14.250 1.00 3.33 H new ATOM 0 HZ PHE A 46 -4.902 -16.245 -12.612 1.00 2.22 H new ATOM 739 N VAL A 47 -5.153 -13.362 -19.459 1.00 62.14 N ATOM 740 CA VAL A 47 -4.608 -12.656 -20.613 1.00 0.44 C ATOM 741 C VAL A 47 -3.159 -13.054 -20.867 1.00 5.03 C ATOM 742 O VAL A 47 -2.398 -13.302 -19.930 1.00 51.33 O ATOM 743 CB VAL A 47 -4.684 -11.129 -20.423 1.00 4.03 C ATOM 744 CG1 VAL A 47 -4.283 -10.411 -21.702 1.00 71.05 C ATOM 745 CG2 VAL A 47 -6.080 -10.716 -19.984 1.00 54.44 C ATOM 0 H VAL A 47 -4.506 -13.452 -18.676 1.00 62.14 H new ATOM 0 HA VAL A 47 -5.215 -12.939 -21.473 1.00 0.44 H new ATOM 0 HB VAL A 47 -3.983 -10.842 -19.640 1.00 4.03 H new ATOM 0 HG11 VAL A 47 -4.343 -9.334 -21.548 1.00 71.05 H new ATOM 0 HG12 VAL A 47 -3.262 -10.684 -21.967 1.00 71.05 H new ATOM 0 HG13 VAL A 47 -4.957 -10.701 -22.508 1.00 71.05 H new ATOM 0 HG21 VAL A 47 -6.116 -9.634 -19.855 1.00 54.44 H new ATOM 0 HG22 VAL A 47 -6.803 -11.015 -20.743 1.00 54.44 H new ATOM 0 HG23 VAL A 47 -6.323 -11.203 -19.039 1.00 54.44 H new ATOM 755 N HIS A 48 -2.781 -13.113 -22.140 1.00 73.40 N ATOM 756 CA HIS A 48 -1.421 -13.481 -22.518 1.00 53.32 C ATOM 757 C HIS A 48 -0.695 -12.298 -23.151 1.00 52.43 C ATOM 758 O HIS A 48 0.318 -12.470 -23.828 1.00 3.04 O ATOM 759 CB HIS A 48 -1.441 -14.661 -23.489 1.00 63.35 C ATOM 760 CG HIS A 48 -1.247 -15.988 -22.823 1.00 21.50 C ATOM 761 ND1 HIS A 48 -0.226 -16.241 -21.931 1.00 11.31 N ATOM 762 CD2 HIS A 48 -1.952 -17.140 -22.921 1.00 44.14 C ATOM 763 CE1 HIS A 48 -0.310 -17.490 -21.511 1.00 33.42 C ATOM 764 NE2 HIS A 48 -1.349 -18.058 -22.096 1.00 53.25 N ATOM 0 H HIS A 48 -3.397 -12.911 -22.927 1.00 73.40 H new ATOM 0 HA HIS A 48 -0.885 -13.773 -21.615 1.00 53.32 H new ATOM 0 HB2 HIS A 48 -2.392 -14.667 -24.021 1.00 63.35 H new ATOM 0 HB3 HIS A 48 -0.659 -14.520 -24.235 1.00 63.35 H new ATOM 0 HD2 HIS A 48 -2.826 -17.306 -23.534 1.00 44.14 H new ATOM 0 HE1 HIS A 48 0.358 -17.966 -20.808 1.00 33.42 H new ATOM 0 HE2 HIS A 48 -1.654 -19.021 -21.958 1.00 53.25 H new ATOM 772 N GLU A 49 -1.222 -11.098 -22.927 1.00 45.45 N ATOM 773 CA GLU A 49 -0.623 -9.887 -23.478 1.00 74.01 C ATOM 774 C GLU A 49 -0.362 -8.861 -22.379 1.00 61.12 C ATOM 775 O GLU A 49 -0.922 -8.929 -21.285 1.00 72.40 O ATOM 776 CB GLU A 49 -1.534 -9.283 -24.549 1.00 15.13 C ATOM 777 CG GLU A 49 -1.246 -9.792 -25.951 1.00 54.00 C ATOM 778 CD GLU A 49 -0.226 -8.941 -26.682 1.00 71.43 C ATOM 779 OE1 GLU A 49 -0.463 -7.724 -26.828 1.00 62.11 O ATOM 780 OE2 GLU A 49 0.810 -9.494 -27.109 1.00 13.13 O ATOM 0 H GLU A 49 -2.061 -10.938 -22.369 1.00 45.45 H new ATOM 0 HA GLU A 49 0.330 -10.158 -23.932 1.00 74.01 H new ATOM 0 HB2 GLU A 49 -2.572 -9.503 -24.298 1.00 15.13 H new ATOM 0 HB3 GLU A 49 -1.426 -8.198 -24.536 1.00 15.13 H new ATOM 0 HG2 GLU A 49 -0.883 -10.818 -25.894 1.00 54.00 H new ATOM 0 HG3 GLU A 49 -2.173 -9.813 -26.524 1.00 54.00 H new ATOM 787 N PRO A 50 0.511 -7.887 -22.676 1.00 13.53 N ATOM 788 CA PRO A 50 0.867 -6.827 -21.727 1.00 21.41 C ATOM 789 C PRO A 50 -0.283 -5.857 -21.482 1.00 74.12 C ATOM 790 O PRO A 50 -1.108 -5.620 -22.366 1.00 32.40 O ATOM 791 CB PRO A 50 2.033 -6.112 -22.415 1.00 34.31 C ATOM 792 CG PRO A 50 1.834 -6.375 -23.868 1.00 32.32 C ATOM 793 CD PRO A 50 1.216 -7.743 -23.960 1.00 62.23 C ATOM 0 HA PRO A 50 1.115 -7.227 -20.744 1.00 21.41 H new ATOM 0 HB2 PRO A 50 2.024 -5.043 -22.201 1.00 34.31 H new ATOM 0 HB3 PRO A 50 2.993 -6.498 -22.071 1.00 34.31 H new ATOM 0 HG2 PRO A 50 1.185 -5.622 -24.316 1.00 32.32 H new ATOM 0 HG3 PRO A 50 2.782 -6.338 -24.405 1.00 32.32 H new ATOM 0 HD2 PRO A 50 0.531 -7.818 -24.805 1.00 62.23 H new ATOM 0 HD3 PRO A 50 1.972 -8.517 -24.092 1.00 62.23 H new ATOM 801 N LEU A 51 -0.333 -5.297 -20.278 1.00 72.55 N ATOM 802 CA LEU A 51 -1.383 -4.351 -19.917 1.00 73.35 C ATOM 803 C LEU A 51 -1.534 -3.271 -20.984 1.00 65.42 C ATOM 804 O LEU A 51 -2.567 -3.178 -21.647 1.00 63.10 O ATOM 805 CB LEU A 51 -1.074 -3.708 -18.564 1.00 74.24 C ATOM 806 CG LEU A 51 -2.240 -2.994 -17.879 1.00 43.42 C ATOM 807 CD1 LEU A 51 -3.340 -3.983 -17.528 1.00 10.24 C ATOM 808 CD2 LEU A 51 -1.759 -2.263 -16.634 1.00 12.30 C ATOM 0 H LEU A 51 0.341 -5.482 -19.535 1.00 72.55 H new ATOM 0 HA LEU A 51 -2.323 -4.899 -19.846 1.00 73.35 H new ATOM 0 HB2 LEU A 51 -0.703 -4.482 -17.892 1.00 74.24 H new ATOM 0 HB3 LEU A 51 -0.265 -2.991 -18.701 1.00 74.24 H new ATOM 0 HG LEU A 51 -2.649 -2.259 -18.572 1.00 43.42 H new ATOM 0 HD11 LEU A 51 -4.161 -3.456 -17.041 1.00 10.24 H new ATOM 0 HD12 LEU A 51 -3.704 -4.461 -18.438 1.00 10.24 H new ATOM 0 HD13 LEU A 51 -2.945 -4.742 -16.853 1.00 10.24 H new ATOM 0 HD21 LEU A 51 -2.601 -1.760 -16.159 1.00 12.30 H new ATOM 0 HD22 LEU A 51 -1.324 -2.979 -15.937 1.00 12.30 H new ATOM 0 HD23 LEU A 51 -1.007 -1.525 -16.913 1.00 12.30 H new ATOM 820 N VAL A 52 -0.495 -2.458 -21.146 1.00 65.22 N ATOM 821 CA VAL A 52 -0.509 -1.387 -22.135 1.00 12.21 C ATOM 822 C VAL A 52 -1.341 -1.774 -23.352 1.00 40.25 C ATOM 823 O VAL A 52 -2.043 -0.942 -23.928 1.00 3.33 O ATOM 824 CB VAL A 52 0.916 -1.027 -22.594 1.00 64.20 C ATOM 825 CG1 VAL A 52 1.468 -2.104 -23.515 1.00 64.24 C ATOM 826 CG2 VAL A 52 0.928 0.330 -23.280 1.00 41.52 C ATOM 0 H VAL A 52 0.367 -2.521 -20.605 1.00 65.22 H new ATOM 0 HA VAL A 52 -0.957 -0.518 -21.653 1.00 12.21 H new ATOM 0 HB VAL A 52 1.558 -0.970 -21.715 1.00 64.20 H new ATOM 0 HG11 VAL A 52 2.476 -1.832 -23.829 1.00 64.24 H new ATOM 0 HG12 VAL A 52 1.497 -3.056 -22.985 1.00 64.24 H new ATOM 0 HG13 VAL A 52 0.827 -2.196 -24.392 1.00 64.24 H new ATOM 0 HG21 VAL A 52 1.943 0.568 -23.598 1.00 41.52 H new ATOM 0 HG22 VAL A 52 0.272 0.304 -24.150 1.00 41.52 H new ATOM 0 HG23 VAL A 52 0.577 1.092 -22.584 1.00 41.52 H new ATOM 836 N ASP A 53 -1.258 -3.042 -23.740 1.00 0.23 N ATOM 837 CA ASP A 53 -2.004 -3.541 -24.889 1.00 15.21 C ATOM 838 C ASP A 53 -3.507 -3.426 -24.652 1.00 71.02 C ATOM 839 O ASP A 53 -4.232 -2.851 -25.464 1.00 50.12 O ATOM 840 CB ASP A 53 -1.630 -4.996 -25.174 1.00 72.04 C ATOM 841 CG ASP A 53 -2.106 -5.459 -26.537 1.00 60.52 C ATOM 842 OD1 ASP A 53 -2.008 -4.670 -27.499 1.00 64.05 O ATOM 843 OD2 ASP A 53 -2.577 -6.611 -26.641 1.00 75.43 O ATOM 0 H ASP A 53 -0.681 -3.743 -23.275 1.00 0.23 H new ATOM 0 HA ASP A 53 -1.743 -2.931 -25.754 1.00 15.21 H new ATOM 0 HB2 ASP A 53 -0.548 -5.109 -25.113 1.00 72.04 H new ATOM 0 HB3 ASP A 53 -2.061 -5.637 -24.405 1.00 72.04 H new ATOM 848 N VAL A 54 -3.969 -3.978 -23.535 1.00 20.33 N ATOM 849 CA VAL A 54 -5.385 -3.938 -23.191 1.00 32.13 C ATOM 850 C VAL A 54 -5.821 -2.524 -22.822 1.00 74.53 C ATOM 851 O VAL A 54 -6.958 -2.129 -23.078 1.00 74.32 O ATOM 852 CB VAL A 54 -5.705 -4.884 -22.018 1.00 71.21 C ATOM 853 CG1 VAL A 54 -7.090 -4.594 -21.460 1.00 1.31 C ATOM 854 CG2 VAL A 54 -5.593 -6.336 -22.459 1.00 42.34 C ATOM 0 H VAL A 54 -3.383 -4.459 -22.852 1.00 20.33 H new ATOM 0 HA VAL A 54 -5.934 -4.266 -24.073 1.00 32.13 H new ATOM 0 HB VAL A 54 -4.977 -4.711 -21.226 1.00 71.21 H new ATOM 0 HG11 VAL A 54 -7.298 -5.272 -20.632 1.00 1.31 H new ATOM 0 HG12 VAL A 54 -7.131 -3.564 -21.105 1.00 1.31 H new ATOM 0 HG13 VAL A 54 -7.835 -4.737 -22.243 1.00 1.31 H new ATOM 0 HG21 VAL A 54 -5.822 -6.990 -21.618 1.00 42.34 H new ATOM 0 HG22 VAL A 54 -6.297 -6.526 -23.269 1.00 42.34 H new ATOM 0 HG23 VAL A 54 -4.579 -6.534 -22.806 1.00 42.34 H new ATOM 864 N GLN A 55 -4.909 -1.768 -22.221 1.00 14.42 N ATOM 865 CA GLN A 55 -5.201 -0.397 -21.817 1.00 64.10 C ATOM 866 C GLN A 55 -5.681 0.430 -23.005 1.00 34.12 C ATOM 867 O GLN A 55 -6.656 1.174 -22.902 1.00 22.33 O ATOM 868 CB GLN A 55 -3.960 0.250 -21.199 1.00 64.51 C ATOM 869 CG GLN A 55 -3.405 -0.514 -20.007 1.00 71.25 C ATOM 870 CD GLN A 55 -2.278 0.225 -19.314 1.00 65.21 C ATOM 871 OE1 GLN A 55 -2.393 1.412 -19.010 1.00 43.52 O ATOM 872 NE2 GLN A 55 -1.179 -0.476 -19.060 1.00 4.24 N ATOM 0 H GLN A 55 -3.963 -2.080 -22.003 1.00 14.42 H new ATOM 0 HA GLN A 55 -5.997 -0.426 -21.072 1.00 64.10 H new ATOM 0 HB2 GLN A 55 -3.185 0.331 -21.961 1.00 64.51 H new ATOM 0 HB3 GLN A 55 -4.207 1.265 -20.887 1.00 64.51 H new ATOM 0 HG2 GLN A 55 -4.207 -0.698 -19.292 1.00 71.25 H new ATOM 0 HG3 GLN A 55 -3.045 -1.488 -20.340 1.00 71.25 H new ATOM 0 HE21 GLN A 55 -1.127 -1.458 -19.330 1.00 4.24 H new ATOM 0 HE22 GLN A 55 -0.387 -0.032 -18.595 1.00 4.24 H new ATOM 881 N ASN A 56 -4.990 0.295 -24.132 1.00 75.42 N ATOM 882 CA ASN A 56 -5.347 1.030 -25.340 1.00 3.41 C ATOM 883 C ASN A 56 -6.817 0.821 -25.691 1.00 65.30 C ATOM 884 O ASN A 56 -7.463 1.703 -26.256 1.00 12.15 O ATOM 885 CB ASN A 56 -4.464 0.590 -26.509 1.00 44.43 C ATOM 886 CG ASN A 56 -3.148 1.344 -26.556 1.00 33.31 C ATOM 887 OD1 ASN A 56 -3.117 2.545 -26.825 1.00 32.42 O ATOM 888 ND2 ASN A 56 -2.054 0.639 -26.294 1.00 4.13 N ATOM 0 H ASN A 56 -4.180 -0.316 -24.234 1.00 75.42 H new ATOM 0 HA ASN A 56 -5.185 2.091 -25.150 1.00 3.41 H new ATOM 0 HB2 ASN A 56 -4.265 -0.479 -26.428 1.00 44.43 H new ATOM 0 HB3 ASN A 56 -5.001 0.744 -27.445 1.00 44.43 H new ATOM 0 HD21 ASN A 56 -1.140 1.091 -26.311 1.00 4.13 H new ATOM 0 HD22 ASN A 56 -2.128 -0.355 -26.076 1.00 4.13 H new ATOM 895 N VAL A 57 -7.339 -0.354 -25.352 1.00 44.02 N ATOM 896 CA VAL A 57 -8.732 -0.680 -25.630 1.00 14.33 C ATOM 897 C VAL A 57 -9.672 0.331 -24.983 1.00 13.41 C ATOM 898 O VAL A 57 -10.763 0.595 -25.491 1.00 3.34 O ATOM 899 CB VAL A 57 -9.090 -2.091 -25.127 1.00 23.11 C ATOM 900 CG1 VAL A 57 -10.556 -2.397 -25.392 1.00 21.22 C ATOM 901 CG2 VAL A 57 -8.193 -3.132 -25.780 1.00 3.20 C ATOM 0 H VAL A 57 -6.818 -1.096 -24.884 1.00 44.02 H new ATOM 0 HA VAL A 57 -8.855 -0.646 -26.713 1.00 14.33 H new ATOM 0 HB VAL A 57 -8.926 -2.127 -24.050 1.00 23.11 H new ATOM 0 HG11 VAL A 57 -10.790 -3.398 -25.030 1.00 21.22 H new ATOM 0 HG12 VAL A 57 -11.179 -1.669 -24.873 1.00 21.22 H new ATOM 0 HG13 VAL A 57 -10.751 -2.344 -26.463 1.00 21.22 H new ATOM 0 HG21 VAL A 57 -8.459 -4.123 -25.413 1.00 3.20 H new ATOM 0 HG22 VAL A 57 -8.324 -3.098 -26.862 1.00 3.20 H new ATOM 0 HG23 VAL A 57 -7.152 -2.922 -25.533 1.00 3.20 H new ATOM 911 N CYS A 58 -9.243 0.896 -23.859 1.00 63.41 N ATOM 912 CA CYS A 58 -10.045 1.879 -23.141 1.00 60.32 C ATOM 913 C CYS A 58 -10.225 3.146 -23.973 1.00 21.44 C ATOM 914 O CYS A 58 -11.082 3.979 -23.677 1.00 24.13 O ATOM 915 CB CYS A 58 -9.390 2.223 -21.802 1.00 63.13 C ATOM 916 SG CYS A 58 -10.574 2.545 -20.456 1.00 22.31 S ATOM 0 H CYS A 58 -8.343 0.689 -23.426 1.00 63.41 H new ATOM 0 HA CYS A 58 -11.027 1.444 -22.956 1.00 60.32 H new ATOM 0 HB2 CYS A 58 -8.736 1.402 -21.508 1.00 63.13 H new ATOM 0 HB3 CYS A 58 -8.758 3.102 -21.934 1.00 63.13 H new ATOM 921 N PHE A 59 -9.411 3.283 -25.014 1.00 55.54 N ATOM 922 CA PHE A 59 -9.480 4.448 -25.889 1.00 2.52 C ATOM 923 C PHE A 59 -9.842 4.039 -27.313 1.00 61.34 C ATOM 924 O PHE A 59 -10.426 4.819 -28.065 1.00 4.33 O ATOM 925 CB PHE A 59 -8.144 5.195 -25.885 1.00 31.23 C ATOM 926 CG PHE A 59 -7.518 5.296 -24.523 1.00 71.41 C ATOM 927 CD1 PHE A 59 -8.063 6.124 -23.555 1.00 42.23 C ATOM 928 CD2 PHE A 59 -6.385 4.562 -24.211 1.00 33.42 C ATOM 929 CE1 PHE A 59 -7.488 6.219 -22.302 1.00 11.40 C ATOM 930 CE2 PHE A 59 -5.806 4.652 -22.959 1.00 14.31 C ATOM 931 CZ PHE A 59 -6.359 5.482 -22.003 1.00 33.40 C ATOM 0 H PHE A 59 -8.696 2.603 -25.272 1.00 55.54 H new ATOM 0 HA PHE A 59 -10.260 5.109 -25.511 1.00 2.52 H new ATOM 0 HB2 PHE A 59 -7.452 4.689 -26.558 1.00 31.23 H new ATOM 0 HB3 PHE A 59 -8.297 6.199 -26.281 1.00 31.23 H new ATOM 0 HD1 PHE A 59 -8.947 6.702 -23.782 1.00 42.23 H new ATOM 0 HD2 PHE A 59 -5.949 3.912 -24.955 1.00 33.42 H new ATOM 0 HE1 PHE A 59 -7.921 6.869 -21.557 1.00 11.40 H new ATOM 0 HE2 PHE A 59 -4.923 4.075 -22.729 1.00 14.31 H new ATOM 0 HZ PHE A 59 -5.909 5.554 -21.024 1.00 33.40 H new ATOM 941 N GLN A 60 -9.490 2.810 -27.677 1.00 33.43 N ATOM 942 CA GLN A 60 -9.777 2.296 -29.011 1.00 41.51 C ATOM 943 C GLN A 60 -11.278 2.295 -29.283 1.00 44.10 C ATOM 944 O GLN A 60 -11.751 2.959 -30.204 1.00 50.42 O ATOM 945 CB GLN A 60 -9.217 0.882 -29.168 1.00 21.44 C ATOM 946 CG GLN A 60 -7.698 0.829 -29.206 1.00 51.30 C ATOM 947 CD GLN A 60 -7.175 -0.303 -30.068 1.00 42.52 C ATOM 948 OE1 GLN A 60 -6.265 -0.113 -30.876 1.00 70.31 O ATOM 949 NE2 GLN A 60 -7.748 -1.489 -29.901 1.00 10.54 N ATOM 0 H GLN A 60 -9.006 2.152 -27.067 1.00 33.43 H new ATOM 0 HA GLN A 60 -9.295 2.952 -29.736 1.00 41.51 H new ATOM 0 HB2 GLN A 60 -9.573 0.266 -28.343 1.00 21.44 H new ATOM 0 HB3 GLN A 60 -9.610 0.444 -30.085 1.00 21.44 H new ATOM 0 HG2 GLN A 60 -7.315 1.776 -29.585 1.00 51.30 H new ATOM 0 HG3 GLN A 60 -7.317 0.714 -28.191 1.00 51.30 H new ATOM 0 HE21 GLN A 60 -8.499 -1.601 -29.220 1.00 10.54 H new ATOM 0 HE22 GLN A 60 -7.437 -2.288 -30.454 1.00 10.54 H new ATOM 958 N GLU A 61 -12.020 1.544 -28.475 1.00 42.03 N ATOM 959 CA GLU A 61 -13.467 1.456 -28.631 1.00 20.11 C ATOM 960 C GLU A 61 -14.166 1.535 -27.277 1.00 4.45 C ATOM 961 O GLU A 61 -13.516 1.570 -26.231 1.00 14.41 O ATOM 962 CB GLU A 61 -13.848 0.153 -29.338 1.00 1.51 C ATOM 963 CG GLU A 61 -15.210 0.201 -30.009 1.00 50.34 C ATOM 964 CD GLU A 61 -15.333 -0.790 -31.150 1.00 34.52 C ATOM 965 OE1 GLU A 61 -15.109 -1.996 -30.913 1.00 72.23 O ATOM 966 OE2 GLU A 61 -15.654 -0.362 -32.278 1.00 3.41 O ATOM 0 H GLU A 61 -11.643 0.989 -27.707 1.00 42.03 H new ATOM 0 HA GLU A 61 -13.793 2.300 -29.239 1.00 20.11 H new ATOM 0 HB2 GLU A 61 -13.091 -0.079 -30.087 1.00 1.51 H new ATOM 0 HB3 GLU A 61 -13.838 -0.661 -28.613 1.00 1.51 H new ATOM 0 HG2 GLU A 61 -15.983 -0.005 -29.269 1.00 50.34 H new ATOM 0 HG3 GLU A 61 -15.390 1.208 -30.386 1.00 50.34 H new ATOM 973 N LYS A 62 -15.494 1.564 -27.303 1.00 43.14 N ATOM 974 CA LYS A 62 -16.283 1.639 -26.080 1.00 22.15 C ATOM 975 C LYS A 62 -17.494 0.715 -26.156 1.00 11.01 C ATOM 976 O LYS A 62 -18.028 0.463 -27.236 1.00 70.12 O ATOM 977 CB LYS A 62 -16.740 3.078 -25.830 1.00 74.24 C ATOM 978 CG LYS A 62 -17.943 3.487 -26.664 1.00 22.54 C ATOM 979 CD LYS A 62 -17.550 3.784 -28.101 1.00 31.00 C ATOM 980 CE LYS A 62 -18.677 4.473 -28.856 1.00 31.45 C ATOM 981 NZ LYS A 62 -18.218 5.015 -30.164 1.00 40.12 N ATOM 0 H LYS A 62 -16.047 1.537 -28.160 1.00 43.14 H new ATOM 0 HA LYS A 62 -15.653 1.316 -25.251 1.00 22.15 H new ATOM 0 HB2 LYS A 62 -16.984 3.195 -24.774 1.00 74.24 H new ATOM 0 HB3 LYS A 62 -15.913 3.755 -26.043 1.00 74.24 H new ATOM 0 HG2 LYS A 62 -18.687 2.690 -26.646 1.00 22.54 H new ATOM 0 HG3 LYS A 62 -18.409 4.368 -26.224 1.00 22.54 H new ATOM 0 HD2 LYS A 62 -16.662 4.417 -28.113 1.00 31.00 H new ATOM 0 HD3 LYS A 62 -17.286 2.855 -28.607 1.00 31.00 H new ATOM 0 HE2 LYS A 62 -19.489 3.765 -29.021 1.00 31.45 H new ATOM 0 HE3 LYS A 62 -19.079 5.283 -28.248 1.00 31.45 H new ATOM 0 HZ1 LYS A 62 -19.015 5.476 -30.647 1.00 40.12 H new ATOM 0 HZ2 LYS A 62 -17.460 5.709 -30.005 1.00 40.12 H new ATOM 0 HZ3 LYS A 62 -17.858 4.238 -30.754 1.00 40.12 H new ATOM 995 N VAL A 63 -17.924 0.214 -25.002 1.00 72.13 N ATOM 996 CA VAL A 63 -19.074 -0.680 -24.938 1.00 55.25 C ATOM 997 C VAL A 63 -19.931 -0.387 -23.711 1.00 45.04 C ATOM 998 O VAL A 63 -19.601 0.482 -22.903 1.00 53.02 O ATOM 999 CB VAL A 63 -18.637 -2.156 -24.905 1.00 61.21 C ATOM 1000 CG1 VAL A 63 -17.546 -2.414 -25.934 1.00 14.42 C ATOM 1001 CG2 VAL A 63 -18.167 -2.541 -23.510 1.00 50.23 C ATOM 0 H VAL A 63 -17.493 0.412 -24.099 1.00 72.13 H new ATOM 0 HA VAL A 63 -19.662 -0.503 -25.839 1.00 55.25 H new ATOM 0 HB VAL A 63 -19.496 -2.777 -25.159 1.00 61.21 H new ATOM 0 HG11 VAL A 63 -17.250 -3.462 -25.896 1.00 14.42 H new ATOM 0 HG12 VAL A 63 -17.922 -2.179 -26.930 1.00 14.42 H new ATOM 0 HG13 VAL A 63 -16.683 -1.785 -25.715 1.00 14.42 H new ATOM 0 HG21 VAL A 63 -17.862 -3.587 -23.505 1.00 50.23 H new ATOM 0 HG22 VAL A 63 -17.321 -1.915 -23.225 1.00 50.23 H new ATOM 0 HG23 VAL A 63 -18.981 -2.397 -22.799 1.00 50.23 H new ATOM 1011 N THR A 64 -21.032 -1.119 -23.577 1.00 13.31 N ATOM 1012 CA THR A 64 -21.937 -0.938 -22.449 1.00 10.43 C ATOM 1013 C THR A 64 -21.850 -2.111 -21.480 1.00 63.40 C ATOM 1014 O THR A 64 -21.234 -3.134 -21.782 1.00 32.31 O ATOM 1015 CB THR A 64 -23.396 -0.781 -22.918 1.00 22.41 C ATOM 1016 OG1 THR A 64 -23.429 -0.226 -24.237 1.00 53.41 O ATOM 1017 CG2 THR A 64 -24.178 0.111 -21.966 1.00 42.20 C ATOM 0 H THR A 64 -21.319 -1.843 -24.236 1.00 13.31 H new ATOM 0 HA THR A 64 -21.627 -0.026 -21.939 1.00 10.43 H new ATOM 0 HB THR A 64 -23.860 -1.767 -22.928 1.00 22.41 H new ATOM 0 HG1 THR A 64 -24.360 -0.131 -24.529 1.00 53.41 H new ATOM 0 HG21 THR A 64 -25.205 0.207 -22.318 1.00 42.20 H new ATOM 0 HG22 THR A 64 -24.176 -0.330 -20.969 1.00 42.20 H new ATOM 0 HG23 THR A 64 -23.714 1.097 -21.927 1.00 42.20 H new ATOM 1025 N CYS A 65 -22.470 -1.958 -20.315 1.00 23.22 N ATOM 1026 CA CYS A 65 -22.463 -3.006 -19.301 1.00 2.32 C ATOM 1027 C CYS A 65 -23.864 -3.229 -18.739 1.00 51.53 C ATOM 1028 O CYS A 65 -24.760 -2.405 -18.929 1.00 25.02 O ATOM 1029 CB CYS A 65 -21.500 -2.642 -18.169 1.00 23.31 C ATOM 1030 SG CYS A 65 -19.819 -3.315 -18.378 1.00 15.43 S ATOM 0 H CYS A 65 -22.984 -1.118 -20.049 1.00 23.22 H new ATOM 0 HA CYS A 65 -22.128 -3.930 -19.772 1.00 2.32 H new ATOM 0 HB2 CYS A 65 -21.439 -1.556 -18.094 1.00 23.31 H new ATOM 0 HB3 CYS A 65 -21.910 -3.004 -17.226 1.00 23.31 H new ATOM 1035 N LYS A 66 -24.047 -4.348 -18.047 1.00 2.32 N ATOM 1036 CA LYS A 66 -25.337 -4.680 -17.456 1.00 35.15 C ATOM 1037 C LYS A 66 -25.967 -3.455 -16.800 1.00 74.13 C ATOM 1038 O LYS A 66 -27.106 -3.097 -17.099 1.00 3.43 O ATOM 1039 CB LYS A 66 -25.176 -5.798 -16.423 1.00 2.44 C ATOM 1040 CG LYS A 66 -25.108 -7.186 -17.034 1.00 61.24 C ATOM 1041 CD LYS A 66 -26.491 -7.796 -17.189 1.00 52.53 C ATOM 1042 CE LYS A 66 -26.532 -8.804 -18.327 1.00 41.24 C ATOM 1043 NZ LYS A 66 -25.932 -10.109 -17.934 1.00 45.41 N ATOM 0 H LYS A 66 -23.317 -5.041 -17.882 1.00 2.32 H new ATOM 0 HA LYS A 66 -25.996 -5.023 -18.254 1.00 35.15 H new ATOM 0 HB2 LYS A 66 -24.269 -5.620 -15.846 1.00 2.44 H new ATOM 0 HB3 LYS A 66 -26.012 -5.758 -15.724 1.00 2.44 H new ATOM 0 HG2 LYS A 66 -24.622 -7.132 -18.008 1.00 61.24 H new ATOM 0 HG3 LYS A 66 -24.493 -7.831 -16.406 1.00 61.24 H new ATOM 0 HD2 LYS A 66 -26.781 -8.284 -16.259 1.00 52.53 H new ATOM 0 HD3 LYS A 66 -27.219 -7.006 -17.375 1.00 52.53 H new ATOM 0 HE2 LYS A 66 -27.565 -8.958 -18.638 1.00 41.24 H new ATOM 0 HE3 LYS A 66 -25.996 -8.402 -19.187 1.00 41.24 H new ATOM 0 HZ1 LYS A 66 -25.979 -10.769 -18.737 1.00 45.41 H new ATOM 0 HZ2 LYS A 66 -24.939 -9.966 -17.661 1.00 45.41 H new ATOM 0 HZ3 LYS A 66 -26.459 -10.505 -17.129 1.00 45.41 H new ATOM 1057 N ASN A 67 -25.219 -2.816 -15.907 1.00 65.51 N ATOM 1058 CA ASN A 67 -25.704 -1.631 -15.211 1.00 0.35 C ATOM 1059 C ASN A 67 -25.829 -0.450 -16.169 1.00 1.03 C ATOM 1060 O ASN A 67 -26.521 0.526 -15.881 1.00 72.54 O ATOM 1061 CB ASN A 67 -24.764 -1.270 -14.058 1.00 50.25 C ATOM 1062 CG ASN A 67 -25.053 0.104 -13.485 1.00 34.22 C ATOM 1063 OD1 ASN A 67 -25.774 0.236 -12.496 1.00 12.44 O ATOM 1064 ND2 ASN A 67 -24.491 1.134 -14.105 1.00 52.54 N ATOM 0 H ASN A 67 -24.274 -3.099 -15.648 1.00 65.51 H new ATOM 0 HA ASN A 67 -26.692 -1.856 -14.809 1.00 0.35 H new ATOM 0 HB2 ASN A 67 -24.857 -2.017 -13.269 1.00 50.25 H new ATOM 0 HB3 ASN A 67 -23.733 -1.305 -14.409 1.00 50.25 H new ATOM 0 HD21 ASN A 67 -24.650 2.082 -13.765 1.00 52.54 H new ATOM 0 HD22 ASN A 67 -23.900 0.977 -14.922 1.00 52.54 H new ATOM 1071 N GLY A 68 -25.153 -0.547 -17.310 1.00 13.31 N ATOM 1072 CA GLY A 68 -25.202 0.519 -18.293 1.00 52.34 C ATOM 1073 C GLY A 68 -24.093 1.535 -18.104 1.00 22.44 C ATOM 1074 O GLY A 68 -24.264 2.714 -18.409 1.00 53.25 O ATOM 0 H GLY A 68 -24.573 -1.344 -17.571 1.00 13.31 H new ATOM 0 HA2 GLY A 68 -25.131 0.090 -19.293 1.00 52.34 H new ATOM 0 HA3 GLY A 68 -26.166 1.023 -18.230 1.00 52.34 H new ATOM 1078 N GLN A 69 -22.953 1.076 -17.596 1.00 73.22 N ATOM 1079 CA GLN A 69 -21.813 1.954 -17.364 1.00 2.12 C ATOM 1080 C GLN A 69 -21.024 2.174 -18.650 1.00 63.53 C ATOM 1081 O GLN A 69 -21.206 1.455 -19.632 1.00 51.44 O ATOM 1082 CB GLN A 69 -20.900 1.366 -16.286 1.00 75.20 C ATOM 1083 CG GLN A 69 -21.269 1.796 -14.875 1.00 52.35 C ATOM 1084 CD GLN A 69 -20.921 0.749 -13.836 1.00 5.51 C ATOM 1085 OE1 GLN A 69 -20.299 1.053 -12.817 1.00 33.31 O ATOM 1086 NE2 GLN A 69 -21.320 -0.492 -14.088 1.00 45.32 N ATOM 0 H GLN A 69 -22.795 0.102 -17.338 1.00 73.22 H new ATOM 0 HA GLN A 69 -22.193 2.917 -17.023 1.00 2.12 H new ATOM 0 HB2 GLN A 69 -20.935 0.278 -16.346 1.00 75.20 H new ATOM 0 HB3 GLN A 69 -19.872 1.664 -16.490 1.00 75.20 H new ATOM 0 HG2 GLN A 69 -20.752 2.725 -14.636 1.00 52.35 H new ATOM 0 HG3 GLN A 69 -22.338 2.005 -14.831 1.00 52.35 H new ATOM 0 HE21 GLN A 69 -21.833 -0.699 -14.945 1.00 45.32 H new ATOM 0 HE22 GLN A 69 -21.114 -1.239 -13.424 1.00 45.32 H new ATOM 1095 N GLY A 70 -20.146 3.172 -18.637 1.00 64.14 N ATOM 1096 CA GLY A 70 -19.342 3.468 -19.809 1.00 52.51 C ATOM 1097 C GLY A 70 -17.876 3.145 -19.603 1.00 44.44 C ATOM 1098 O GLY A 70 -17.042 3.443 -20.458 1.00 0.34 O ATOM 0 H GLY A 70 -19.977 3.781 -17.836 1.00 64.14 H new ATOM 0 HA2 GLY A 70 -19.720 2.899 -20.658 1.00 52.51 H new ATOM 0 HA3 GLY A 70 -19.446 4.523 -20.060 1.00 52.51 H new ATOM 1102 N ASN A 71 -17.560 2.536 -18.466 1.00 25.55 N ATOM 1103 CA ASN A 71 -16.183 2.174 -18.149 1.00 65.01 C ATOM 1104 C ASN A 71 -15.816 0.830 -18.771 1.00 34.20 C ATOM 1105 O ASN A 71 -14.752 0.275 -18.495 1.00 74.31 O ATOM 1106 CB ASN A 71 -15.983 2.118 -16.633 1.00 54.31 C ATOM 1107 CG ASN A 71 -16.944 1.157 -15.959 1.00 5.42 C ATOM 1108 OD1 ASN A 71 -17.798 1.566 -15.172 1.00 71.04 O ATOM 1109 ND2 ASN A 71 -16.806 -0.128 -16.264 1.00 53.43 N ATOM 0 H ASN A 71 -18.239 2.282 -17.748 1.00 25.55 H new ATOM 0 HA ASN A 71 -15.528 2.939 -18.567 1.00 65.01 H new ATOM 0 HB2 ASN A 71 -14.959 1.816 -16.415 1.00 54.31 H new ATOM 0 HB3 ASN A 71 -16.117 3.115 -16.214 1.00 54.31 H new ATOM 0 HD21 ASN A 71 -17.422 -0.822 -15.840 1.00 53.43 H new ATOM 0 HD22 ASN A 71 -16.084 -0.421 -16.922 1.00 53.43 H new ATOM 1116 N CYS A 72 -16.705 0.312 -19.612 1.00 60.33 N ATOM 1117 CA CYS A 72 -16.477 -0.967 -20.274 1.00 41.15 C ATOM 1118 C CYS A 72 -16.106 -0.762 -21.740 1.00 43.34 C ATOM 1119 O CYS A 72 -16.723 0.040 -22.442 1.00 35.32 O ATOM 1120 CB CYS A 72 -17.723 -1.848 -20.171 1.00 73.01 C ATOM 1121 SG CYS A 72 -18.545 -1.786 -18.546 1.00 61.44 S ATOM 0 H CYS A 72 -17.590 0.759 -19.851 1.00 60.33 H new ATOM 0 HA CYS A 72 -15.646 -1.464 -19.773 1.00 41.15 H new ATOM 0 HB2 CYS A 72 -18.435 -1.543 -20.938 1.00 73.01 H new ATOM 0 HB3 CYS A 72 -17.444 -2.880 -20.386 1.00 73.01 H new ATOM 1126 N TYR A 73 -15.093 -1.491 -22.196 1.00 75.20 N ATOM 1127 CA TYR A 73 -14.638 -1.388 -23.577 1.00 71.23 C ATOM 1128 C TYR A 73 -14.199 -2.749 -24.109 1.00 62.10 C ATOM 1129 O TYR A 73 -13.948 -3.678 -23.341 1.00 20.10 O ATOM 1130 CB TYR A 73 -13.484 -0.390 -23.683 1.00 23.23 C ATOM 1131 CG TYR A 73 -13.600 0.774 -22.725 1.00 32.23 C ATOM 1132 CD1 TYR A 73 -13.334 0.614 -21.371 1.00 3.24 C ATOM 1133 CD2 TYR A 73 -13.976 2.034 -23.174 1.00 61.24 C ATOM 1134 CE1 TYR A 73 -13.440 1.675 -20.492 1.00 22.21 C ATOM 1135 CE2 TYR A 73 -14.083 3.100 -22.303 1.00 50.51 C ATOM 1136 CZ TYR A 73 -13.814 2.916 -20.963 1.00 35.11 C ATOM 1137 OH TYR A 73 -13.920 3.975 -20.091 1.00 2.30 O ATOM 0 H TYR A 73 -14.572 -2.160 -21.629 1.00 75.20 H new ATOM 0 HA TYR A 73 -15.472 -1.034 -24.182 1.00 71.23 H new ATOM 0 HB2 TYR A 73 -12.545 -0.912 -23.496 1.00 23.23 H new ATOM 0 HB3 TYR A 73 -13.438 -0.007 -24.703 1.00 23.23 H new ATOM 0 HD1 TYR A 73 -13.039 -0.356 -20.999 1.00 3.24 H new ATOM 0 HD2 TYR A 73 -14.188 2.182 -24.223 1.00 61.24 H new ATOM 0 HE1 TYR A 73 -13.231 1.533 -19.442 1.00 22.21 H new ATOM 0 HE2 TYR A 73 -14.376 4.073 -22.669 1.00 50.51 H new ATOM 0 HH TYR A 73 -13.036 4.189 -19.727 1.00 2.30 H new ATOM 1147 N LYS A 74 -14.107 -2.859 -25.430 1.00 73.20 N ATOM 1148 CA LYS A 74 -13.697 -4.104 -26.068 1.00 24.42 C ATOM 1149 C LYS A 74 -12.490 -3.880 -26.974 1.00 13.51 C ATOM 1150 O LYS A 74 -12.437 -2.903 -27.721 1.00 4.52 O ATOM 1151 CB LYS A 74 -14.854 -4.692 -26.878 1.00 71.13 C ATOM 1152 CG LYS A 74 -15.943 -5.314 -26.021 1.00 62.00 C ATOM 1153 CD LYS A 74 -16.891 -6.161 -26.852 1.00 73.54 C ATOM 1154 CE LYS A 74 -18.299 -6.152 -26.275 1.00 45.13 C ATOM 1155 NZ LYS A 74 -19.065 -7.369 -26.662 1.00 2.20 N ATOM 0 H LYS A 74 -14.311 -2.100 -26.080 1.00 73.20 H new ATOM 0 HA LYS A 74 -13.416 -4.808 -25.285 1.00 24.42 H new ATOM 0 HB2 LYS A 74 -15.292 -3.906 -27.493 1.00 71.13 H new ATOM 0 HB3 LYS A 74 -14.463 -5.448 -27.558 1.00 71.13 H new ATOM 0 HG2 LYS A 74 -15.489 -5.930 -25.245 1.00 62.00 H new ATOM 0 HG3 LYS A 74 -16.504 -4.527 -25.516 1.00 62.00 H new ATOM 0 HD2 LYS A 74 -16.914 -5.786 -27.875 1.00 73.54 H new ATOM 0 HD3 LYS A 74 -16.521 -7.185 -26.896 1.00 73.54 H new ATOM 0 HE2 LYS A 74 -18.246 -6.087 -25.188 1.00 45.13 H new ATOM 0 HE3 LYS A 74 -18.828 -5.264 -26.622 1.00 45.13 H new ATOM 0 HZ1 LYS A 74 -20.019 -7.325 -26.249 1.00 2.20 H new ATOM 0 HZ2 LYS A 74 -19.138 -7.418 -27.698 1.00 2.20 H new ATOM 0 HZ3 LYS A 74 -18.574 -8.215 -26.309 1.00 2.20 H new ATOM 1169 N SER A 75 -11.525 -4.791 -26.904 1.00 11.34 N ATOM 1170 CA SER A 75 -10.318 -4.690 -27.716 1.00 74.10 C ATOM 1171 C SER A 75 -10.667 -4.620 -29.200 1.00 23.12 C ATOM 1172 O SER A 75 -11.247 -5.551 -29.757 1.00 3.02 O ATOM 1173 CB SER A 75 -9.399 -5.884 -27.452 1.00 74.41 C ATOM 1174 OG SER A 75 -9.884 -7.052 -28.092 1.00 34.23 O ATOM 0 H SER A 75 -11.555 -5.607 -26.293 1.00 11.34 H new ATOM 0 HA SER A 75 -9.798 -3.773 -27.439 1.00 74.10 H new ATOM 0 HB2 SER A 75 -8.394 -5.660 -27.810 1.00 74.41 H new ATOM 0 HB3 SER A 75 -9.323 -6.058 -26.379 1.00 74.41 H new ATOM 0 HG SER A 75 -9.855 -6.929 -29.064 1.00 34.23 H new ATOM 1180 N ASN A 76 -10.308 -3.508 -29.834 1.00 22.35 N ATOM 1181 CA ASN A 76 -10.582 -3.315 -31.253 1.00 34.03 C ATOM 1182 C ASN A 76 -10.497 -4.638 -32.009 1.00 4.45 C ATOM 1183 O ASN A 76 -11.411 -5.003 -32.747 1.00 12.21 O ATOM 1184 CB ASN A 76 -9.598 -2.308 -31.851 1.00 53.14 C ATOM 1185 CG ASN A 76 -9.996 -1.871 -33.248 1.00 70.21 C ATOM 1186 OD1 ASN A 76 -9.242 -2.049 -34.205 1.00 25.15 O ATOM 1187 ND2 ASN A 76 -11.186 -1.296 -33.371 1.00 54.35 N ATOM 0 H ASN A 76 -9.827 -2.727 -29.387 1.00 22.35 H new ATOM 0 HA ASN A 76 -11.595 -2.925 -31.352 1.00 34.03 H new ATOM 0 HB2 ASN A 76 -9.538 -1.434 -31.203 1.00 53.14 H new ATOM 0 HB3 ASN A 76 -8.603 -2.751 -31.881 1.00 53.14 H new ATOM 0 HD21 ASN A 76 -11.508 -0.982 -34.286 1.00 54.35 H new ATOM 0 HD22 ASN A 76 -11.778 -1.169 -32.550 1.00 54.35 H new ATOM 1194 N SER A 77 -9.391 -5.351 -31.818 1.00 35.21 N ATOM 1195 CA SER A 77 -9.184 -6.632 -32.484 1.00 13.23 C ATOM 1196 C SER A 77 -8.917 -7.736 -31.466 1.00 33.43 C ATOM 1197 O SER A 77 -8.865 -7.486 -30.262 1.00 24.45 O ATOM 1198 CB SER A 77 -8.016 -6.536 -33.467 1.00 75.24 C ATOM 1199 OG SER A 77 -7.055 -5.592 -33.028 1.00 15.01 O ATOM 0 H SER A 77 -8.625 -5.064 -31.208 1.00 35.21 H new ATOM 0 HA SER A 77 -10.093 -6.880 -33.033 1.00 13.23 H new ATOM 0 HB2 SER A 77 -7.547 -7.514 -33.575 1.00 75.24 H new ATOM 0 HB3 SER A 77 -8.388 -6.250 -34.451 1.00 75.24 H new ATOM 0 HG SER A 77 -6.318 -5.551 -33.673 1.00 15.01 H new ATOM 1205 N SER A 78 -8.750 -8.959 -31.959 1.00 24.20 N ATOM 1206 CA SER A 78 -8.492 -10.104 -31.093 1.00 62.03 C ATOM 1207 C SER A 78 -7.251 -9.869 -30.237 1.00 32.10 C ATOM 1208 O SER A 78 -6.486 -8.935 -30.477 1.00 31.44 O ATOM 1209 CB SER A 78 -8.316 -11.373 -31.929 1.00 65.04 C ATOM 1210 OG SER A 78 -7.387 -11.167 -32.980 1.00 54.42 O ATOM 0 H SER A 78 -8.789 -9.183 -32.953 1.00 24.20 H new ATOM 0 HA SER A 78 -9.350 -10.229 -30.432 1.00 62.03 H new ATOM 0 HB2 SER A 78 -7.973 -12.188 -31.291 1.00 65.04 H new ATOM 0 HB3 SER A 78 -9.278 -11.675 -32.344 1.00 65.04 H new ATOM 0 HG SER A 78 -7.291 -11.993 -33.498 1.00 54.42 H new ATOM 1216 N MET A 79 -7.059 -10.724 -29.237 1.00 54.34 N ATOM 1217 CA MET A 79 -5.911 -10.611 -28.346 1.00 12.45 C ATOM 1218 C MET A 79 -5.614 -11.945 -27.670 1.00 33.44 C ATOM 1219 O MET A 79 -6.522 -12.737 -27.410 1.00 44.34 O ATOM 1220 CB MET A 79 -6.164 -9.535 -27.287 1.00 52.04 C ATOM 1221 CG MET A 79 -4.895 -8.867 -26.784 1.00 22.54 C ATOM 1222 SD MET A 79 -5.149 -7.965 -25.243 1.00 63.52 S ATOM 1223 CE MET A 79 -5.242 -6.282 -25.848 1.00 21.10 C ATOM 0 H MET A 79 -7.684 -11.502 -29.024 1.00 54.34 H new ATOM 0 HA MET A 79 -5.045 -10.326 -28.944 1.00 12.45 H new ATOM 0 HB2 MET A 79 -6.824 -8.775 -27.704 1.00 52.04 H new ATOM 0 HB3 MET A 79 -6.688 -9.984 -26.443 1.00 52.04 H new ATOM 0 HG2 MET A 79 -4.125 -9.624 -26.635 1.00 22.54 H new ATOM 0 HG3 MET A 79 -4.524 -8.181 -27.545 1.00 22.54 H new ATOM 0 HE1 MET A 79 -4.494 -5.671 -25.342 1.00 21.10 H new ATOM 0 HE2 MET A 79 -5.053 -6.270 -26.921 1.00 21.10 H new ATOM 0 HE3 MET A 79 -6.235 -5.878 -25.650 1.00 21.10 H new ATOM 1233 N HIS A 80 -4.339 -12.190 -27.387 1.00 4.33 N ATOM 1234 CA HIS A 80 -3.923 -13.429 -26.740 1.00 63.44 C ATOM 1235 C HIS A 80 -4.432 -13.490 -25.304 1.00 31.45 C ATOM 1236 O HIS A 80 -4.097 -12.639 -24.480 1.00 11.24 O ATOM 1237 CB HIS A 80 -2.399 -13.553 -26.759 1.00 41.22 C ATOM 1238 CG HIS A 80 -1.776 -13.088 -28.040 1.00 31.04 C ATOM 1239 ND1 HIS A 80 -0.417 -12.916 -28.196 1.00 40.43 N ATOM 1240 CD2 HIS A 80 -2.335 -12.761 -29.228 1.00 41.32 C ATOM 1241 CE1 HIS A 80 -0.167 -12.501 -29.425 1.00 41.33 C ATOM 1242 NE2 HIS A 80 -1.314 -12.399 -30.072 1.00 61.13 N ATOM 0 H HIS A 80 -3.576 -11.547 -27.596 1.00 4.33 H new ATOM 0 HA HIS A 80 -4.355 -14.262 -27.295 1.00 63.44 H new ATOM 0 HB2 HIS A 80 -1.985 -12.975 -25.933 1.00 41.22 H new ATOM 0 HB3 HIS A 80 -2.125 -14.594 -26.588 1.00 41.22 H new ATOM 0 HD2 HIS A 80 -3.388 -12.781 -29.468 1.00 41.32 H new ATOM 0 HE1 HIS A 80 0.809 -12.282 -29.832 1.00 41.33 H new ATOM 0 HE2 HIS A 80 -1.424 -12.100 -31.041 1.00 61.13 H new ATOM 1250 N ILE A 81 -5.243 -14.501 -25.011 1.00 32.41 N ATOM 1251 CA ILE A 81 -5.798 -14.673 -23.674 1.00 1.41 C ATOM 1252 C ILE A 81 -5.881 -16.148 -23.298 1.00 60.21 C ATOM 1253 O ILE A 81 -5.766 -17.026 -24.154 1.00 33.31 O ATOM 1254 CB ILE A 81 -7.200 -14.046 -23.562 1.00 34.21 C ATOM 1255 CG1 ILE A 81 -8.238 -14.941 -24.242 1.00 74.30 C ATOM 1256 CG2 ILE A 81 -7.209 -12.654 -24.176 1.00 74.30 C ATOM 1257 CD1 ILE A 81 -8.106 -14.984 -25.748 1.00 43.53 C ATOM 0 H ILE A 81 -5.530 -15.214 -25.682 1.00 32.41 H new ATOM 0 HA ILE A 81 -5.125 -14.163 -22.985 1.00 1.41 H new ATOM 0 HB ILE A 81 -7.459 -13.958 -22.507 1.00 34.21 H new ATOM 0 HG12 ILE A 81 -8.146 -15.953 -23.848 1.00 74.30 H new ATOM 0 HG13 ILE A 81 -9.236 -14.587 -23.983 1.00 74.30 H new ATOM 0 HG21 ILE A 81 -8.207 -12.224 -24.089 1.00 74.30 H new ATOM 0 HG22 ILE A 81 -6.494 -12.020 -23.651 1.00 74.30 H new ATOM 0 HG23 ILE A 81 -6.932 -12.719 -25.228 1.00 74.30 H new ATOM 0 HD11 ILE A 81 -8.874 -15.637 -26.162 1.00 43.53 H new ATOM 0 HD12 ILE A 81 -8.228 -13.979 -26.153 1.00 43.53 H new ATOM 0 HD13 ILE A 81 -7.121 -15.366 -26.016 1.00 43.53 H new ATOM 1269 N THR A 82 -6.083 -16.415 -22.011 1.00 60.14 N ATOM 1270 CA THR A 82 -6.182 -17.784 -21.521 1.00 75.13 C ATOM 1271 C THR A 82 -7.488 -18.004 -20.766 1.00 31.10 C ATOM 1272 O THR A 82 -7.632 -17.581 -19.619 1.00 25.02 O ATOM 1273 CB THR A 82 -5.002 -18.137 -20.597 1.00 10.01 C ATOM 1274 OG1 THR A 82 -3.780 -18.141 -21.343 1.00 3.43 O ATOM 1275 CG2 THR A 82 -5.210 -19.497 -19.948 1.00 74.25 C ATOM 0 H THR A 82 -6.181 -15.701 -21.289 1.00 60.14 H new ATOM 0 HA THR A 82 -6.156 -18.435 -22.395 1.00 75.13 H new ATOM 0 HB THR A 82 -4.946 -17.383 -19.812 1.00 10.01 H new ATOM 0 HG1 THR A 82 -3.020 -18.169 -20.725 1.00 3.43 H new ATOM 0 HG21 THR A 82 -4.363 -19.724 -19.300 1.00 74.25 H new ATOM 0 HG22 THR A 82 -6.126 -19.482 -19.357 1.00 74.25 H new ATOM 0 HG23 THR A 82 -5.290 -20.261 -20.721 1.00 74.25 H new ATOM 1283 N ASP A 83 -8.437 -18.669 -21.416 1.00 12.42 N ATOM 1284 CA ASP A 83 -9.732 -18.947 -20.804 1.00 44.42 C ATOM 1285 C ASP A 83 -9.571 -19.830 -19.571 1.00 13.11 C ATOM 1286 O ASP A 83 -8.660 -20.655 -19.499 1.00 70.12 O ATOM 1287 CB ASP A 83 -10.662 -19.622 -21.813 1.00 41.21 C ATOM 1288 CG ASP A 83 -12.093 -19.699 -21.319 1.00 52.34 C ATOM 1289 OD1 ASP A 83 -12.775 -18.652 -21.309 1.00 63.01 O ATOM 1290 OD2 ASP A 83 -12.532 -20.806 -20.944 1.00 53.33 O ATOM 0 H ASP A 83 -8.334 -19.026 -22.366 1.00 12.42 H new ATOM 0 HA ASP A 83 -10.172 -17.999 -20.495 1.00 44.42 H new ATOM 0 HB2 ASP A 83 -10.634 -19.071 -22.753 1.00 41.21 H new ATOM 0 HB3 ASP A 83 -10.298 -20.628 -22.022 1.00 41.21 H new ATOM 1295 N CYS A 84 -10.462 -19.651 -18.601 1.00 40.32 N ATOM 1296 CA CYS A 84 -10.419 -20.430 -17.370 1.00 15.44 C ATOM 1297 C CYS A 84 -11.827 -20.675 -16.832 1.00 44.23 C ATOM 1298 O CYS A 84 -12.549 -19.734 -16.502 1.00 62.03 O ATOM 1299 CB CYS A 84 -9.577 -19.709 -16.315 1.00 33.32 C ATOM 1300 SG CYS A 84 -7.841 -19.447 -16.801 1.00 74.23 S ATOM 0 H CYS A 84 -11.223 -18.973 -18.644 1.00 40.32 H new ATOM 0 HA CYS A 84 -9.962 -21.394 -17.595 1.00 15.44 H new ATOM 0 HB2 CYS A 84 -10.033 -18.742 -16.100 1.00 33.32 H new ATOM 0 HB3 CYS A 84 -9.601 -20.285 -15.390 1.00 33.32 H new ATOM 1305 N ARG A 85 -12.208 -21.945 -16.747 1.00 54.03 N ATOM 1306 CA ARG A 85 -13.529 -22.314 -16.251 1.00 63.23 C ATOM 1307 C ARG A 85 -13.517 -23.727 -15.675 1.00 74.24 C ATOM 1308 O ARG A 85 -12.994 -24.656 -16.292 1.00 22.33 O ATOM 1309 CB ARG A 85 -14.564 -22.218 -17.373 1.00 41.44 C ATOM 1310 CG ARG A 85 -15.931 -22.758 -16.989 1.00 15.14 C ATOM 1311 CD ARG A 85 -16.851 -22.858 -18.196 1.00 23.52 C ATOM 1312 NE ARG A 85 -18.235 -23.117 -17.810 1.00 32.04 N ATOM 1313 CZ ARG A 85 -19.213 -23.335 -18.682 1.00 20.11 C ATOM 1314 NH1 ARG A 85 -18.959 -23.326 -19.983 1.00 71.42 N ATOM 1315 NH2 ARG A 85 -20.448 -23.563 -18.253 1.00 23.21 N ATOM 0 H ARG A 85 -11.622 -22.735 -17.015 1.00 54.03 H new ATOM 0 HA ARG A 85 -13.799 -21.618 -15.457 1.00 63.23 H new ATOM 0 HB2 ARG A 85 -14.666 -21.175 -17.673 1.00 41.44 H new ATOM 0 HB3 ARG A 85 -14.198 -22.765 -18.241 1.00 41.44 H new ATOM 0 HG2 ARG A 85 -15.820 -23.742 -16.533 1.00 15.14 H new ATOM 0 HG3 ARG A 85 -16.382 -22.108 -16.239 1.00 15.14 H new ATOM 0 HD2 ARG A 85 -16.802 -21.931 -18.767 1.00 23.52 H new ATOM 0 HD3 ARG A 85 -16.502 -23.656 -18.852 1.00 23.52 H new ATOM 0 HE ARG A 85 -18.463 -23.131 -16.816 1.00 32.04 H new ATOM 0 HH11 ARG A 85 -18.011 -23.151 -20.316 1.00 71.42 H new ATOM 0 HH12 ARG A 85 -19.712 -23.494 -20.651 1.00 71.42 H new ATOM 0 HH21 ARG A 85 -20.647 -23.571 -17.253 1.00 23.21 H new ATOM 0 HH22 ARG A 85 -21.198 -23.730 -18.924 1.00 23.21 H new ATOM 1329 N LEU A 86 -14.098 -23.882 -14.490 1.00 64.04 N ATOM 1330 CA LEU A 86 -14.154 -25.182 -13.830 1.00 54.33 C ATOM 1331 C LEU A 86 -14.725 -26.243 -14.766 1.00 13.15 C ATOM 1332 O LEU A 86 -15.863 -26.135 -15.225 1.00 43.22 O ATOM 1333 CB LEU A 86 -15.003 -25.094 -12.561 1.00 34.31 C ATOM 1334 CG LEU A 86 -14.234 -24.962 -11.246 1.00 64.03 C ATOM 1335 CD1 LEU A 86 -15.192 -24.952 -10.065 1.00 42.14 C ATOM 1336 CD2 LEU A 86 -13.222 -26.090 -11.105 1.00 2.20 C ATOM 0 H LEU A 86 -14.537 -23.124 -13.967 1.00 64.04 H new ATOM 0 HA LEU A 86 -13.138 -25.471 -13.561 1.00 54.33 H new ATOM 0 HB2 LEU A 86 -15.672 -24.239 -12.654 1.00 34.31 H new ATOM 0 HB3 LEU A 86 -15.629 -25.984 -12.505 1.00 34.31 H new ATOM 0 HG LEU A 86 -13.694 -24.015 -11.257 1.00 64.03 H new ATOM 0 HD11 LEU A 86 -14.626 -24.857 -9.138 1.00 42.14 H new ATOM 0 HD12 LEU A 86 -15.877 -24.110 -10.159 1.00 42.14 H new ATOM 0 HD13 LEU A 86 -15.760 -25.882 -10.050 1.00 42.14 H new ATOM 0 HD21 LEU A 86 -12.684 -25.980 -10.164 1.00 2.20 H new ATOM 0 HD22 LEU A 86 -13.741 -27.048 -11.117 1.00 2.20 H new ATOM 0 HD23 LEU A 86 -12.515 -26.050 -11.934 1.00 2.20 H new ATOM 1348 N THR A 87 -13.929 -27.271 -15.042 1.00 42.13 N ATOM 1349 CA THR A 87 -14.355 -28.353 -15.921 1.00 44.54 C ATOM 1350 C THR A 87 -14.634 -29.626 -15.131 1.00 41.31 C ATOM 1351 O THR A 87 -13.940 -29.931 -14.163 1.00 3.05 O ATOM 1352 CB THR A 87 -13.294 -28.652 -16.998 1.00 30.24 C ATOM 1353 OG1 THR A 87 -13.719 -29.750 -17.812 1.00 73.51 O ATOM 1354 CG2 THR A 87 -11.952 -28.977 -16.359 1.00 71.52 C ATOM 0 H THR A 87 -12.985 -27.377 -14.669 1.00 42.13 H new ATOM 0 HA THR A 87 -15.273 -28.023 -16.407 1.00 44.54 H new ATOM 0 HB THR A 87 -13.177 -27.764 -17.619 1.00 30.24 H new ATOM 0 HG1 THR A 87 -13.040 -29.933 -18.495 1.00 73.51 H new ATOM 0 HG21 THR A 87 -11.219 -29.185 -17.138 1.00 71.52 H new ATOM 0 HG22 THR A 87 -11.618 -28.128 -15.763 1.00 71.52 H new ATOM 0 HG23 THR A 87 -12.057 -29.852 -15.717 1.00 71.52 H new ATOM 1362 N ASN A 88 -15.655 -30.366 -15.552 1.00 2.45 N ATOM 1363 CA ASN A 88 -16.026 -31.607 -14.882 1.00 62.11 C ATOM 1364 C ASN A 88 -16.580 -31.329 -13.488 1.00 54.13 C ATOM 1365 O ASN A 88 -16.331 -32.082 -12.548 1.00 11.22 O ATOM 1366 CB ASN A 88 -14.817 -32.540 -14.785 1.00 44.43 C ATOM 1367 CG ASN A 88 -15.208 -33.957 -14.412 1.00 43.44 C ATOM 1368 OD1 ASN A 88 -14.878 -34.439 -13.329 1.00 4.22 O ATOM 1369 ND2 ASN A 88 -15.915 -34.631 -15.312 1.00 22.14 N ATOM 0 H ASN A 88 -16.240 -30.128 -16.353 1.00 2.45 H new ATOM 0 HA ASN A 88 -16.804 -32.090 -15.473 1.00 62.11 H new ATOM 0 HB2 ASN A 88 -14.292 -32.550 -15.740 1.00 44.43 H new ATOM 0 HB3 ASN A 88 -14.120 -32.151 -14.043 1.00 44.43 H new ATOM 0 HD21 ASN A 88 -16.207 -35.589 -15.118 1.00 22.14 H new ATOM 0 HD22 ASN A 88 -16.166 -34.191 -16.197 1.00 22.14 H new ATOM 1376 N GLY A 89 -17.335 -30.241 -13.364 1.00 31.23 N ATOM 1377 CA GLY A 89 -17.914 -29.883 -12.082 1.00 42.30 C ATOM 1378 C GLY A 89 -16.903 -29.940 -10.953 1.00 55.35 C ATOM 1379 O GLY A 89 -17.268 -30.136 -9.794 1.00 50.22 O ATOM 0 H GLY A 89 -17.556 -29.602 -14.128 1.00 31.23 H new ATOM 0 HA2 GLY A 89 -18.330 -28.877 -12.143 1.00 42.30 H new ATOM 0 HA3 GLY A 89 -18.741 -30.557 -11.859 1.00 42.30 H new ATOM 1383 N SER A 90 -15.630 -29.769 -11.293 1.00 24.45 N ATOM 1384 CA SER A 90 -14.563 -29.808 -10.299 1.00 45.14 C ATOM 1385 C SER A 90 -14.864 -28.861 -9.142 1.00 23.25 C ATOM 1386 O SER A 90 -15.220 -27.701 -9.350 1.00 62.42 O ATOM 1387 CB SER A 90 -13.225 -29.436 -10.942 1.00 60.23 C ATOM 1388 OG SER A 90 -12.661 -30.544 -11.622 1.00 44.04 O ATOM 0 H SER A 90 -15.312 -29.602 -12.248 1.00 24.45 H new ATOM 0 HA SER A 90 -14.501 -30.824 -9.908 1.00 45.14 H new ATOM 0 HB2 SER A 90 -13.370 -28.612 -11.641 1.00 60.23 H new ATOM 0 HB3 SER A 90 -12.534 -29.086 -10.175 1.00 60.23 H new ATOM 0 HG SER A 90 -12.956 -30.539 -12.557 1.00 44.04 H new ATOM 1394 N ARG A 91 -14.718 -29.365 -7.920 1.00 61.14 N ATOM 1395 CA ARG A 91 -14.975 -28.566 -6.728 1.00 52.15 C ATOM 1396 C ARG A 91 -13.866 -28.755 -5.698 1.00 12.44 C ATOM 1397 O ARG A 91 -13.108 -29.723 -5.756 1.00 74.22 O ATOM 1398 CB ARG A 91 -16.325 -28.945 -6.116 1.00 51.52 C ATOM 1399 CG ARG A 91 -16.760 -28.026 -4.986 1.00 31.43 C ATOM 1400 CD ARG A 91 -16.833 -26.577 -5.441 1.00 62.45 C ATOM 1401 NE ARG A 91 -17.321 -25.695 -4.385 1.00 73.21 N ATOM 1402 CZ ARG A 91 -17.360 -24.372 -4.492 1.00 40.22 C ATOM 1403 NH1 ARG A 91 -16.942 -23.781 -5.603 1.00 4.31 N ATOM 1404 NH2 ARG A 91 -17.818 -23.637 -3.487 1.00 54.31 N ATOM 0 H ARG A 91 -14.423 -30.323 -7.730 1.00 61.14 H new ATOM 0 HA ARG A 91 -14.999 -27.517 -7.022 1.00 52.15 H new ATOM 0 HB2 ARG A 91 -17.085 -28.932 -6.897 1.00 51.52 H new ATOM 0 HB3 ARG A 91 -16.271 -29.967 -5.741 1.00 51.52 H new ATOM 0 HG2 ARG A 91 -17.735 -28.341 -4.615 1.00 31.43 H new ATOM 0 HG3 ARG A 91 -16.059 -28.113 -4.155 1.00 31.43 H new ATOM 0 HD2 ARG A 91 -15.844 -26.247 -5.760 1.00 62.45 H new ATOM 0 HD3 ARG A 91 -17.490 -26.502 -6.308 1.00 62.45 H new ATOM 0 HE ARG A 91 -17.650 -26.118 -3.517 1.00 73.21 H new ATOM 0 HH11 ARG A 91 -16.589 -24.343 -6.378 1.00 4.31 H new ATOM 0 HH12 ARG A 91 -16.973 -22.765 -5.683 1.00 4.31 H new ATOM 0 HH21 ARG A 91 -18.141 -24.088 -2.631 1.00 54.31 H new ATOM 0 HH22 ARG A 91 -17.847 -22.621 -3.570 1.00 54.31 H new ATOM 1418 N TYR A 92 -13.777 -27.823 -4.755 1.00 50.32 N ATOM 1419 CA TYR A 92 -12.759 -27.885 -3.713 1.00 51.51 C ATOM 1420 C TYR A 92 -12.772 -29.243 -3.019 1.00 21.01 C ATOM 1421 O TYR A 92 -13.825 -29.799 -2.705 1.00 43.03 O ATOM 1422 CB TYR A 92 -12.982 -26.773 -2.687 1.00 11.35 C ATOM 1423 CG TYR A 92 -11.755 -26.454 -1.863 1.00 2.11 C ATOM 1424 CD1 TYR A 92 -11.331 -27.309 -0.853 1.00 1.22 C ATOM 1425 CD2 TYR A 92 -11.020 -25.298 -2.094 1.00 2.21 C ATOM 1426 CE1 TYR A 92 -10.211 -27.021 -0.097 1.00 64.51 C ATOM 1427 CE2 TYR A 92 -9.897 -25.003 -1.344 1.00 75.24 C ATOM 1428 CZ TYR A 92 -9.497 -25.868 -0.347 1.00 50.11 C ATOM 1429 OH TYR A 92 -8.380 -25.577 0.403 1.00 74.22 O ATOM 0 H TYR A 92 -14.397 -27.016 -4.691 1.00 50.32 H new ATOM 0 HA TYR A 92 -11.785 -27.747 -4.183 1.00 51.51 H new ATOM 0 HB2 TYR A 92 -13.305 -25.871 -3.206 1.00 11.35 H new ATOM 0 HB3 TYR A 92 -13.792 -27.064 -2.019 1.00 11.35 H new ATOM 0 HD1 TYR A 92 -11.886 -28.214 -0.656 1.00 1.22 H new ATOM 0 HD2 TYR A 92 -11.331 -24.618 -2.873 1.00 2.21 H new ATOM 0 HE1 TYR A 92 -9.896 -27.695 0.686 1.00 64.51 H new ATOM 0 HE2 TYR A 92 -9.336 -24.101 -1.538 1.00 75.24 H new ATOM 0 HH TYR A 92 -7.993 -24.730 0.098 1.00 74.22 H new ATOM 1439 N PRO A 93 -11.573 -29.791 -2.772 1.00 61.31 N ATOM 1440 CA PRO A 93 -10.313 -29.139 -3.141 1.00 70.12 C ATOM 1441 C PRO A 93 -10.097 -29.108 -4.650 1.00 51.44 C ATOM 1442 O PRO A 93 -9.347 -28.278 -5.162 1.00 42.21 O ATOM 1443 CB PRO A 93 -9.251 -30.012 -2.467 1.00 52.42 C ATOM 1444 CG PRO A 93 -9.890 -31.351 -2.333 1.00 52.45 C ATOM 1445 CD PRO A 93 -11.355 -31.090 -2.114 1.00 62.50 C ATOM 0 HA PRO A 93 -10.288 -28.095 -2.828 1.00 70.12 H new ATOM 0 HB2 PRO A 93 -8.343 -30.065 -3.068 1.00 52.42 H new ATOM 0 HB3 PRO A 93 -8.967 -29.610 -1.495 1.00 52.42 H new ATOM 0 HG2 PRO A 93 -9.730 -31.951 -3.229 1.00 52.45 H new ATOM 0 HG3 PRO A 93 -9.463 -31.905 -1.497 1.00 52.45 H new ATOM 0 HD2 PRO A 93 -11.973 -31.872 -2.555 1.00 62.50 H new ATOM 0 HD3 PRO A 93 -11.602 -31.049 -1.053 1.00 62.50 H new ATOM 1453 N ASN A 94 -10.760 -30.017 -5.358 1.00 12.24 N ATOM 1454 CA ASN A 94 -10.640 -30.093 -6.809 1.00 52.40 C ATOM 1455 C ASN A 94 -10.937 -28.741 -7.451 1.00 15.22 C ATOM 1456 O ASN A 94 -12.076 -28.271 -7.436 1.00 4.22 O ATOM 1457 CB ASN A 94 -11.591 -31.154 -7.365 1.00 72.15 C ATOM 1458 CG ASN A 94 -11.901 -32.241 -6.354 1.00 5.42 C ATOM 1459 OD1 ASN A 94 -13.063 -32.512 -6.053 1.00 52.43 O ATOM 1460 ND2 ASN A 94 -10.858 -32.869 -5.823 1.00 1.31 N ATOM 0 H ASN A 94 -11.386 -30.711 -4.950 1.00 12.24 H new ATOM 0 HA ASN A 94 -9.614 -30.372 -7.050 1.00 52.40 H new ATOM 0 HB2 ASN A 94 -12.520 -30.677 -7.678 1.00 72.15 H new ATOM 0 HB3 ASN A 94 -11.149 -31.604 -8.254 1.00 72.15 H new ATOM 0 HD21 ASN A 94 -11.004 -33.609 -5.136 1.00 1.31 H new ATOM 0 HD22 ASN A 94 -9.911 -32.611 -6.102 1.00 1.31 H new ATOM 1467 N CYS A 95 -9.907 -28.120 -8.015 1.00 24.23 N ATOM 1468 CA CYS A 95 -10.056 -26.823 -8.662 1.00 43.44 C ATOM 1469 C CYS A 95 -9.711 -26.912 -10.146 1.00 61.52 C ATOM 1470 O CYS A 95 -9.454 -25.900 -10.797 1.00 5.05 O ATOM 1471 CB CYS A 95 -9.162 -25.784 -7.982 1.00 1.11 C ATOM 1472 SG CYS A 95 -9.812 -25.168 -6.396 1.00 34.24 S ATOM 0 H CYS A 95 -8.959 -28.495 -8.037 1.00 24.23 H new ATOM 0 HA CYS A 95 -11.097 -26.516 -8.566 1.00 43.44 H new ATOM 0 HB2 CYS A 95 -8.178 -26.221 -7.814 1.00 1.11 H new ATOM 0 HB3 CYS A 95 -9.024 -24.940 -8.658 1.00 1.11 H new ATOM 1477 N ALA A 96 -9.708 -28.132 -10.675 1.00 14.15 N ATOM 1478 CA ALA A 96 -9.398 -28.354 -12.081 1.00 61.32 C ATOM 1479 C ALA A 96 -10.253 -27.466 -12.979 1.00 64.21 C ATOM 1480 O ALA A 96 -11.471 -27.629 -13.052 1.00 22.52 O ATOM 1481 CB ALA A 96 -9.598 -29.819 -12.441 1.00 24.34 C ATOM 0 H ALA A 96 -9.917 -28.981 -10.150 1.00 14.15 H new ATOM 0 HA ALA A 96 -8.353 -28.091 -12.242 1.00 61.32 H new ATOM 0 HB1 ALA A 96 -9.363 -29.970 -13.495 1.00 24.34 H new ATOM 0 HB2 ALA A 96 -8.940 -30.437 -11.830 1.00 24.34 H new ATOM 0 HB3 ALA A 96 -10.635 -30.101 -12.257 1.00 24.34 H new ATOM 1487 N TYR A 97 -9.607 -26.526 -13.660 1.00 70.35 N ATOM 1488 CA TYR A 97 -10.309 -25.610 -14.551 1.00 61.04 C ATOM 1489 C TYR A 97 -10.060 -25.973 -16.012 1.00 71.02 C ATOM 1490 O TYR A 97 -9.316 -26.906 -16.313 1.00 63.15 O ATOM 1491 CB TYR A 97 -9.864 -24.170 -14.289 1.00 75.04 C ATOM 1492 CG TYR A 97 -9.921 -23.775 -12.831 1.00 3.10 C ATOM 1493 CD1 TYR A 97 -11.071 -23.981 -12.079 1.00 40.12 C ATOM 1494 CD2 TYR A 97 -8.824 -23.195 -12.205 1.00 54.31 C ATOM 1495 CE1 TYR A 97 -11.127 -23.621 -10.747 1.00 14.14 C ATOM 1496 CE2 TYR A 97 -8.871 -22.833 -10.873 1.00 12.02 C ATOM 1497 CZ TYR A 97 -10.025 -23.048 -10.148 1.00 1.22 C ATOM 1498 OH TYR A 97 -10.076 -22.688 -8.821 1.00 10.52 O ATOM 0 H TYR A 97 -8.599 -26.378 -13.612 1.00 70.35 H new ATOM 0 HA TYR A 97 -11.377 -25.696 -14.351 1.00 61.04 H new ATOM 0 HB2 TYR A 97 -8.844 -24.042 -14.652 1.00 75.04 H new ATOM 0 HB3 TYR A 97 -10.495 -23.493 -14.865 1.00 75.04 H new ATOM 0 HD1 TYR A 97 -11.936 -24.430 -12.544 1.00 40.12 H new ATOM 0 HD2 TYR A 97 -7.919 -23.024 -12.770 1.00 54.31 H new ATOM 0 HE1 TYR A 97 -12.029 -23.787 -10.177 1.00 14.14 H new ATOM 0 HE2 TYR A 97 -8.009 -22.384 -10.402 1.00 12.02 H new ATOM 0 HH TYR A 97 -10.560 -23.373 -8.314 1.00 10.52 H new ATOM 1508 N ARG A 98 -10.689 -25.228 -16.915 1.00 44.25 N ATOM 1509 CA ARG A 98 -10.537 -25.470 -18.345 1.00 61.21 C ATOM 1510 C ARG A 98 -9.731 -24.354 -19.003 1.00 63.22 C ATOM 1511 O ARG A 98 -10.250 -23.268 -19.262 1.00 45.24 O ATOM 1512 CB ARG A 98 -11.908 -25.585 -19.013 1.00 35.11 C ATOM 1513 CG ARG A 98 -11.914 -26.477 -20.243 1.00 61.25 C ATOM 1514 CD ARG A 98 -11.065 -25.890 -21.361 1.00 35.33 C ATOM 1515 NE ARG A 98 -11.044 -26.750 -22.541 1.00 22.20 N ATOM 1516 CZ ARG A 98 -12.022 -26.791 -23.439 1.00 0.22 C ATOM 1517 NH1 ARG A 98 -13.093 -26.024 -23.292 1.00 14.22 N ATOM 1518 NH2 ARG A 98 -11.929 -27.599 -24.487 1.00 32.53 N ATOM 0 H ARG A 98 -11.309 -24.452 -16.682 1.00 44.25 H new ATOM 0 HA ARG A 98 -9.998 -26.409 -18.474 1.00 61.21 H new ATOM 0 HB2 ARG A 98 -12.624 -25.974 -18.289 1.00 35.11 H new ATOM 0 HB3 ARG A 98 -12.250 -24.589 -19.295 1.00 35.11 H new ATOM 0 HG2 ARG A 98 -11.537 -27.465 -19.979 1.00 61.25 H new ATOM 0 HG3 ARG A 98 -12.938 -26.609 -20.593 1.00 61.25 H new ATOM 0 HD2 ARG A 98 -11.453 -24.909 -21.634 1.00 35.33 H new ATOM 0 HD3 ARG A 98 -10.046 -25.741 -21.003 1.00 35.33 H new ATOM 0 HE ARG A 98 -10.233 -27.353 -22.684 1.00 22.20 H new ATOM 0 HH11 ARG A 98 -13.167 -25.401 -22.488 1.00 14.22 H new ATOM 0 HH12 ARG A 98 -13.843 -26.057 -23.983 1.00 14.22 H new ATOM 0 HH21 ARG A 98 -11.106 -28.190 -24.604 1.00 32.53 H new ATOM 0 HH22 ARG A 98 -12.681 -27.629 -25.176 1.00 32.53 H new ATOM 1532 N THR A 99 -8.458 -24.629 -19.271 1.00 21.41 N ATOM 1533 CA THR A 99 -7.579 -23.649 -19.897 1.00 34.23 C ATOM 1534 C THR A 99 -7.573 -23.805 -21.413 1.00 72.41 C ATOM 1535 O THR A 99 -7.261 -24.875 -21.935 1.00 64.42 O ATOM 1536 CB THR A 99 -6.136 -23.773 -19.373 1.00 60.43 C ATOM 1537 OG1 THR A 99 -6.136 -23.817 -17.942 1.00 41.01 O ATOM 1538 CG2 THR A 99 -5.285 -22.606 -19.850 1.00 71.13 C ATOM 0 H THR A 99 -8.013 -25.523 -19.064 1.00 21.41 H new ATOM 0 HA THR A 99 -7.968 -22.664 -19.638 1.00 34.23 H new ATOM 0 HB THR A 99 -5.709 -24.697 -19.764 1.00 60.43 H new ATOM 0 HG1 THR A 99 -5.918 -24.724 -17.643 1.00 41.01 H new ATOM 0 HG21 THR A 99 -4.270 -22.715 -19.467 1.00 71.13 H new ATOM 0 HG22 THR A 99 -5.263 -22.594 -20.940 1.00 71.13 H new ATOM 0 HG23 THR A 99 -5.712 -21.672 -19.485 1.00 71.13 H new ATOM 1546 N SER A 100 -7.920 -22.731 -22.115 1.00 63.44 N ATOM 1547 CA SER A 100 -7.957 -22.751 -23.573 1.00 40.40 C ATOM 1548 C SER A 100 -7.136 -21.603 -24.153 1.00 3.14 C ATOM 1549 O SER A 100 -7.605 -20.472 -24.279 1.00 51.15 O ATOM 1550 CB SER A 100 -9.402 -22.660 -24.069 1.00 24.05 C ATOM 1551 OG SER A 100 -9.549 -23.290 -25.329 1.00 62.51 O ATOM 0 H SER A 100 -8.179 -21.837 -21.698 1.00 63.44 H new ATOM 0 HA SER A 100 -7.523 -23.692 -23.910 1.00 40.40 H new ATOM 0 HB2 SER A 100 -10.069 -23.128 -23.345 1.00 24.05 H new ATOM 0 HB3 SER A 100 -9.698 -21.614 -24.145 1.00 24.05 H new ATOM 0 HG SER A 100 -10.481 -23.220 -25.623 1.00 62.51 H new ATOM 1557 N PRO A 101 -5.878 -21.899 -24.513 1.00 72.52 N ATOM 1558 CA PRO A 101 -4.964 -20.907 -25.086 1.00 0.02 C ATOM 1559 C PRO A 101 -5.373 -20.487 -26.493 1.00 44.55 C ATOM 1560 O PRO A 101 -5.449 -21.314 -27.402 1.00 51.43 O ATOM 1561 CB PRO A 101 -3.620 -21.638 -25.115 1.00 63.53 C ATOM 1562 CG PRO A 101 -3.976 -23.084 -25.172 1.00 50.12 C ATOM 1563 CD PRO A 101 -5.252 -23.227 -24.390 1.00 54.32 C ATOM 0 HA PRO A 101 -4.950 -19.984 -24.507 1.00 0.02 H new ATOM 0 HB2 PRO A 101 -3.027 -21.342 -25.980 1.00 63.53 H new ATOM 0 HB3 PRO A 101 -3.027 -21.411 -24.229 1.00 63.53 H new ATOM 0 HG2 PRO A 101 -4.111 -23.412 -26.203 1.00 50.12 H new ATOM 0 HG3 PRO A 101 -3.184 -23.698 -24.743 1.00 50.12 H new ATOM 0 HD2 PRO A 101 -5.889 -24.011 -24.800 1.00 54.32 H new ATOM 0 HD3 PRO A 101 -5.059 -23.485 -23.349 1.00 54.32 H new ATOM 1571 N LYS A 102 -5.634 -19.196 -26.668 1.00 11.52 N ATOM 1572 CA LYS A 102 -6.034 -18.664 -27.965 1.00 44.34 C ATOM 1573 C LYS A 102 -5.962 -17.140 -27.974 1.00 73.12 C ATOM 1574 O LYS A 102 -5.642 -16.519 -26.961 1.00 74.41 O ATOM 1575 CB LYS A 102 -7.452 -19.121 -28.312 1.00 14.41 C ATOM 1576 CG LYS A 102 -7.782 -19.012 -29.791 1.00 13.14 C ATOM 1577 CD LYS A 102 -8.820 -20.041 -30.207 1.00 40.45 C ATOM 1578 CE LYS A 102 -8.177 -21.379 -30.539 1.00 2.55 C ATOM 1579 NZ LYS A 102 -9.054 -22.217 -31.401 1.00 70.34 N ATOM 0 H LYS A 102 -5.576 -18.498 -25.927 1.00 11.52 H new ATOM 0 HA LYS A 102 -5.342 -19.047 -28.715 1.00 44.34 H new ATOM 0 HB2 LYS A 102 -7.579 -20.156 -27.996 1.00 14.41 H new ATOM 0 HB3 LYS A 102 -8.166 -18.525 -27.744 1.00 14.41 H new ATOM 0 HG2 LYS A 102 -8.153 -18.011 -30.009 1.00 13.14 H new ATOM 0 HG3 LYS A 102 -6.875 -19.151 -30.379 1.00 13.14 H new ATOM 0 HD2 LYS A 102 -9.545 -20.174 -29.404 1.00 40.45 H new ATOM 0 HD3 LYS A 102 -9.369 -19.675 -31.074 1.00 40.45 H new ATOM 0 HE2 LYS A 102 -7.226 -21.209 -31.044 1.00 2.55 H new ATOM 0 HE3 LYS A 102 -7.956 -21.915 -29.616 1.00 2.55 H new ATOM 0 HZ1 LYS A 102 -8.580 -23.120 -31.605 1.00 70.34 H new ATOM 0 HZ2 LYS A 102 -9.952 -22.400 -30.909 1.00 70.34 H new ATOM 0 HZ3 LYS A 102 -9.244 -21.717 -32.293 1.00 70.34 H new ATOM 1593 N GLU A 103 -6.264 -16.545 -29.124 1.00 2.41 N ATOM 1594 CA GLU A 103 -6.234 -15.093 -29.263 1.00 31.44 C ATOM 1595 C GLU A 103 -7.589 -14.563 -29.722 1.00 12.11 C ATOM 1596 O GLU A 103 -8.000 -14.783 -30.862 1.00 2.35 O ATOM 1597 CB GLU A 103 -5.147 -14.676 -30.255 1.00 54.25 C ATOM 1598 CG GLU A 103 -5.073 -15.564 -31.486 1.00 33.10 C ATOM 1599 CD GLU A 103 -4.166 -14.997 -32.561 1.00 34.31 C ATOM 1600 OE1 GLU A 103 -4.317 -13.803 -32.894 1.00 62.00 O ATOM 1601 OE2 GLU A 103 -3.307 -15.747 -33.069 1.00 71.31 O ATOM 0 H GLU A 103 -6.532 -17.045 -29.972 1.00 2.41 H new ATOM 0 HA GLU A 103 -6.008 -14.664 -28.287 1.00 31.44 H new ATOM 0 HB2 GLU A 103 -5.329 -13.648 -30.569 1.00 54.25 H new ATOM 0 HB3 GLU A 103 -4.181 -14.689 -29.750 1.00 54.25 H new ATOM 0 HG2 GLU A 103 -4.713 -16.551 -31.196 1.00 33.10 H new ATOM 0 HG3 GLU A 103 -6.075 -15.697 -31.894 1.00 33.10 H new ATOM 1608 N ARG A 104 -8.279 -13.864 -28.826 1.00 41.14 N ATOM 1609 CA ARG A 104 -9.588 -13.303 -29.138 1.00 71.43 C ATOM 1610 C ARG A 104 -9.836 -12.026 -28.342 1.00 13.23 C ATOM 1611 O ARG A 104 -9.221 -11.802 -27.299 1.00 25.31 O ATOM 1612 CB ARG A 104 -10.688 -14.324 -28.841 1.00 23.53 C ATOM 1613 CG ARG A 104 -11.146 -15.101 -30.065 1.00 4.53 C ATOM 1614 CD ARG A 104 -12.408 -15.899 -29.778 1.00 41.31 C ATOM 1615 NE ARG A 104 -12.151 -17.030 -28.891 1.00 3.33 N ATOM 1616 CZ ARG A 104 -12.911 -18.118 -28.848 1.00 14.24 C ATOM 1617 NH1 ARG A 104 -13.971 -18.222 -29.638 1.00 0.32 N ATOM 1618 NH2 ARG A 104 -12.612 -19.105 -28.013 1.00 74.21 N ATOM 0 H ARG A 104 -7.953 -13.673 -27.879 1.00 41.14 H new ATOM 0 HA ARG A 104 -9.607 -13.058 -30.200 1.00 71.43 H new ATOM 0 HB2 ARG A 104 -10.327 -15.026 -28.090 1.00 23.53 H new ATOM 0 HB3 ARG A 104 -11.544 -13.807 -28.408 1.00 23.53 H new ATOM 0 HG2 ARG A 104 -11.330 -14.410 -30.888 1.00 4.53 H new ATOM 0 HG3 ARG A 104 -10.353 -15.776 -30.387 1.00 4.53 H new ATOM 0 HD2 ARG A 104 -13.155 -15.246 -29.326 1.00 41.31 H new ATOM 0 HD3 ARG A 104 -12.828 -16.262 -30.716 1.00 41.31 H new ATOM 0 HE ARG A 104 -11.343 -16.982 -28.270 1.00 3.33 H new ATOM 0 HH11 ARG A 104 -14.204 -17.465 -30.281 1.00 0.32 H new ATOM 0 HH12 ARG A 104 -14.553 -19.059 -29.603 1.00 0.32 H new ATOM 0 HH21 ARG A 104 -11.798 -19.028 -27.403 1.00 74.21 H new ATOM 0 HH22 ARG A 104 -13.196 -19.940 -27.981 1.00 74.21 H new ATOM 1632 N HIS A 105 -10.742 -11.190 -28.840 1.00 60.22 N ATOM 1633 CA HIS A 105 -11.072 -9.935 -28.175 1.00 43.42 C ATOM 1634 C HIS A 105 -11.438 -10.174 -26.714 1.00 12.14 C ATOM 1635 O HIS A 105 -11.627 -11.315 -26.290 1.00 2.41 O ATOM 1636 CB HIS A 105 -12.227 -9.240 -28.896 1.00 14.44 C ATOM 1637 CG HIS A 105 -12.171 -9.373 -30.386 1.00 43.03 C ATOM 1638 ND1 HIS A 105 -11.755 -8.355 -31.218 1.00 3.32 N ATOM 1639 CD2 HIS A 105 -12.479 -10.414 -31.194 1.00 60.33 C ATOM 1640 CE1 HIS A 105 -11.811 -8.763 -32.473 1.00 32.21 C ATOM 1641 NE2 HIS A 105 -12.247 -10.010 -32.486 1.00 52.10 N ATOM 0 H HIS A 105 -11.260 -11.359 -29.702 1.00 60.22 H new ATOM 0 HA HIS A 105 -10.193 -9.292 -28.210 1.00 43.42 H new ATOM 0 HB2 HIS A 105 -13.169 -9.654 -28.538 1.00 14.44 H new ATOM 0 HB3 HIS A 105 -12.224 -8.182 -28.634 1.00 14.44 H new ATOM 0 HD1 HIS A 105 -11.451 -7.431 -30.912 1.00 3.32 H new ATOM 0 HD2 HIS A 105 -12.840 -11.383 -30.881 1.00 60.33 H new ATOM 0 HE1 HIS A 105 -11.546 -8.177 -33.341 1.00 32.21 H new ATOM 1649 N ILE A 106 -11.536 -9.092 -25.949 1.00 14.05 N ATOM 1650 CA ILE A 106 -11.880 -9.185 -24.535 1.00 73.12 C ATOM 1651 C ILE A 106 -12.495 -7.883 -24.032 1.00 22.30 C ATOM 1652 O ILE A 106 -12.070 -6.794 -24.419 1.00 60.34 O ATOM 1653 CB ILE A 106 -10.647 -9.523 -23.677 1.00 11.03 C ATOM 1654 CG1 ILE A 106 -9.365 -9.110 -24.402 1.00 62.24 C ATOM 1655 CG2 ILE A 106 -10.621 -11.008 -23.348 1.00 74.20 C ATOM 1656 CD1 ILE A 106 -8.168 -8.981 -23.487 1.00 45.40 C ATOM 0 H ILE A 106 -11.382 -8.141 -26.284 1.00 14.05 H new ATOM 0 HA ILE A 106 -12.610 -9.989 -24.440 1.00 73.12 H new ATOM 0 HB ILE A 106 -10.709 -8.965 -22.743 1.00 11.03 H new ATOM 0 HG12 ILE A 106 -9.143 -9.844 -25.176 1.00 62.24 H new ATOM 0 HG13 ILE A 106 -9.532 -8.157 -24.905 1.00 62.24 H new ATOM 0 HG21 ILE A 106 -9.743 -11.231 -22.741 1.00 74.20 H new ATOM 0 HG22 ILE A 106 -11.522 -11.274 -22.795 1.00 74.20 H new ATOM 0 HG23 ILE A 106 -10.579 -11.585 -24.272 1.00 74.20 H new ATOM 0 HD11 ILE A 106 -7.295 -8.686 -24.069 1.00 45.40 H new ATOM 0 HD12 ILE A 106 -8.370 -8.226 -22.728 1.00 45.40 H new ATOM 0 HD13 ILE A 106 -7.975 -9.939 -23.004 1.00 45.40 H new ATOM 1668 N ILE A 107 -13.495 -8.004 -23.166 1.00 12.31 N ATOM 1669 CA ILE A 107 -14.166 -6.836 -22.607 1.00 61.43 C ATOM 1670 C ILE A 107 -13.815 -6.653 -21.135 1.00 4.32 C ATOM 1671 O ILE A 107 -14.119 -7.506 -20.301 1.00 73.15 O ATOM 1672 CB ILE A 107 -15.696 -6.945 -22.749 1.00 3.32 C ATOM 1673 CG1 ILE A 107 -16.058 -7.817 -23.953 1.00 1.32 C ATOM 1674 CG2 ILE A 107 -16.314 -5.561 -22.884 1.00 73.44 C ATOM 1675 CD1 ILE A 107 -16.354 -9.255 -23.590 1.00 13.11 C ATOM 0 H ILE A 107 -13.859 -8.898 -22.836 1.00 12.31 H new ATOM 0 HA ILE A 107 -13.817 -5.971 -23.171 1.00 61.43 H new ATOM 0 HB ILE A 107 -16.098 -7.415 -21.851 1.00 3.32 H new ATOM 0 HG12 ILE A 107 -16.928 -7.390 -24.452 1.00 1.32 H new ATOM 0 HG13 ILE A 107 -15.236 -7.793 -24.669 1.00 1.32 H new ATOM 0 HG21 ILE A 107 -17.395 -5.654 -22.984 1.00 73.44 H new ATOM 0 HG22 ILE A 107 -16.080 -4.970 -21.998 1.00 73.44 H new ATOM 0 HG23 ILE A 107 -15.909 -5.066 -23.767 1.00 73.44 H new ATOM 0 HD11 ILE A 107 -16.603 -9.814 -24.492 1.00 13.11 H new ATOM 0 HD12 ILE A 107 -15.477 -9.699 -23.118 1.00 13.11 H new ATOM 0 HD13 ILE A 107 -17.195 -9.290 -22.898 1.00 13.11 H new ATOM 1687 N VAL A 108 -13.173 -5.532 -20.821 1.00 4.15 N ATOM 1688 CA VAL A 108 -12.782 -5.234 -19.448 1.00 11.22 C ATOM 1689 C VAL A 108 -13.285 -3.860 -19.019 1.00 41.24 C ATOM 1690 O VAL A 108 -13.716 -3.059 -19.848 1.00 74.35 O ATOM 1691 CB VAL A 108 -11.252 -5.285 -19.276 1.00 33.12 C ATOM 1692 CG1 VAL A 108 -10.808 -6.680 -18.863 1.00 43.02 C ATOM 1693 CG2 VAL A 108 -10.558 -4.853 -20.558 1.00 44.41 C ATOM 0 H VAL A 108 -12.913 -4.815 -21.499 1.00 4.15 H new ATOM 0 HA VAL A 108 -13.237 -5.998 -18.817 1.00 11.22 H new ATOM 0 HB VAL A 108 -10.969 -4.591 -18.485 1.00 33.12 H new ATOM 0 HG11 VAL A 108 -9.724 -6.697 -18.746 1.00 43.02 H new ATOM 0 HG12 VAL A 108 -11.279 -6.947 -17.917 1.00 43.02 H new ATOM 0 HG13 VAL A 108 -11.102 -7.397 -19.630 1.00 43.02 H new ATOM 0 HG21 VAL A 108 -9.478 -4.895 -20.419 1.00 44.41 H new ATOM 0 HG22 VAL A 108 -10.845 -5.521 -21.370 1.00 44.41 H new ATOM 0 HG23 VAL A 108 -10.853 -3.833 -20.805 1.00 44.41 H new ATOM 1703 N ALA A 109 -13.226 -3.593 -17.719 1.00 23.22 N ATOM 1704 CA ALA A 109 -13.673 -2.315 -17.180 1.00 4.30 C ATOM 1705 C ALA A 109 -12.501 -1.514 -16.622 1.00 22.53 C ATOM 1706 O ALA A 109 -12.019 -1.785 -15.521 1.00 63.24 O ATOM 1707 CB ALA A 109 -14.725 -2.535 -16.103 1.00 43.30 C ATOM 0 H ALA A 109 -12.873 -4.245 -17.019 1.00 23.22 H new ATOM 0 HA ALA A 109 -14.117 -1.741 -17.994 1.00 4.30 H new ATOM 0 HB1 ALA A 109 -15.050 -1.572 -15.709 1.00 43.30 H new ATOM 0 HB2 ALA A 109 -15.580 -3.059 -16.531 1.00 43.30 H new ATOM 0 HB3 ALA A 109 -14.300 -3.132 -15.296 1.00 43.30 H new ATOM 1713 N CYS A 110 -12.046 -0.528 -17.387 1.00 62.12 N ATOM 1714 CA CYS A 110 -10.929 0.311 -16.970 1.00 53.42 C ATOM 1715 C CYS A 110 -11.428 1.630 -16.386 1.00 74.22 C ATOM 1716 O CYS A 110 -12.521 2.091 -16.715 1.00 45.43 O ATOM 1717 CB CYS A 110 -10.000 0.585 -18.154 1.00 63.12 C ATOM 1718 SG CYS A 110 -10.836 0.582 -19.772 1.00 53.34 S ATOM 0 H CYS A 110 -12.434 -0.290 -18.300 1.00 62.12 H new ATOM 0 HA CYS A 110 -10.375 -0.222 -16.198 1.00 53.42 H new ATOM 0 HB2 CYS A 110 -9.518 1.552 -18.008 1.00 63.12 H new ATOM 0 HB3 CYS A 110 -9.210 -0.166 -18.164 1.00 63.12 H new ATOM 1723 N GLU A 111 -10.620 2.230 -15.518 1.00 40.02 N ATOM 1724 CA GLU A 111 -10.980 3.495 -14.888 1.00 72.23 C ATOM 1725 C GLU A 111 -9.780 4.108 -14.173 1.00 63.20 C ATOM 1726 O GLU A 111 -8.724 3.486 -14.064 1.00 61.34 O ATOM 1727 CB GLU A 111 -12.127 3.288 -13.897 1.00 33.10 C ATOM 1728 CG GLU A 111 -13.051 4.488 -13.775 1.00 42.34 C ATOM 1729 CD GLU A 111 -12.672 5.402 -12.626 1.00 31.33 C ATOM 1730 OE1 GLU A 111 -11.777 5.027 -11.840 1.00 43.41 O ATOM 1731 OE2 GLU A 111 -13.272 6.491 -12.512 1.00 42.43 O ATOM 0 H GLU A 111 -9.712 1.861 -15.235 1.00 40.02 H new ATOM 0 HA GLU A 111 -11.304 4.182 -15.670 1.00 72.23 H new ATOM 0 HB2 GLU A 111 -12.711 2.421 -14.206 1.00 33.10 H new ATOM 0 HB3 GLU A 111 -11.711 3.059 -12.916 1.00 33.10 H new ATOM 0 HG2 GLU A 111 -13.030 5.054 -14.706 1.00 42.34 H new ATOM 0 HG3 GLU A 111 -14.075 4.141 -13.636 1.00 42.34 H new ATOM 1738 N GLY A 112 -9.950 5.334 -13.687 1.00 72.30 N ATOM 1739 CA GLY A 112 -8.873 6.011 -12.989 1.00 53.42 C ATOM 1740 C GLY A 112 -8.012 6.842 -13.920 1.00 22.04 C ATOM 1741 O GLY A 112 -8.480 7.310 -14.958 1.00 24.43 O ATOM 0 H GLY A 112 -10.814 5.870 -13.764 1.00 72.30 H new ATOM 0 HA2 GLY A 112 -9.293 6.655 -12.216 1.00 53.42 H new ATOM 0 HA3 GLY A 112 -8.250 5.272 -12.485 1.00 53.42 H new ATOM 1745 N SER A 113 -6.749 7.028 -13.547 1.00 35.52 N ATOM 1746 CA SER A 113 -5.822 7.812 -14.353 1.00 1.51 C ATOM 1747 C SER A 113 -4.391 7.313 -14.176 1.00 32.22 C ATOM 1748 O SER A 113 -3.835 7.320 -13.077 1.00 74.02 O ATOM 1749 CB SER A 113 -5.908 9.292 -13.972 1.00 72.24 C ATOM 1750 OG SER A 113 -6.949 9.941 -14.682 1.00 31.11 O ATOM 0 H SER A 113 -6.345 6.646 -12.692 1.00 35.52 H new ATOM 0 HA SER A 113 -6.102 7.696 -15.400 1.00 1.51 H new ATOM 0 HB2 SER A 113 -6.081 9.385 -12.900 1.00 72.24 H new ATOM 0 HB3 SER A 113 -4.958 9.782 -14.185 1.00 72.24 H new ATOM 0 HG SER A 113 -7.631 9.284 -14.936 1.00 31.11 H new ATOM 1756 N PRO A 114 -3.780 6.868 -15.283 1.00 65.24 N ATOM 1757 CA PRO A 114 -4.431 6.854 -16.596 1.00 74.24 C ATOM 1758 C PRO A 114 -5.548 5.818 -16.678 1.00 45.15 C ATOM 1759 O PRO A 114 -5.802 5.088 -15.720 1.00 51.30 O ATOM 1760 CB PRO A 114 -3.293 6.490 -17.554 1.00 13.55 C ATOM 1761 CG PRO A 114 -2.317 5.741 -16.714 1.00 72.22 C ATOM 1762 CD PRO A 114 -2.405 6.343 -15.339 1.00 44.43 C ATOM 0 HA PRO A 114 -4.909 7.807 -16.823 1.00 74.24 H new ATOM 0 HB2 PRO A 114 -3.653 5.880 -18.383 1.00 13.55 H new ATOM 0 HB3 PRO A 114 -2.840 7.381 -17.988 1.00 13.55 H new ATOM 0 HG2 PRO A 114 -2.557 4.678 -16.691 1.00 72.22 H new ATOM 0 HG3 PRO A 114 -1.307 5.831 -17.115 1.00 72.22 H new ATOM 0 HD2 PRO A 114 -2.227 5.599 -14.563 1.00 44.43 H new ATOM 0 HD3 PRO A 114 -1.667 7.133 -15.198 1.00 44.43 H new ATOM 1770 N TYR A 115 -6.210 5.759 -17.828 1.00 41.03 N ATOM 1771 CA TYR A 115 -7.301 4.814 -18.034 1.00 65.54 C ATOM 1772 C TYR A 115 -6.766 3.397 -18.219 1.00 24.42 C ATOM 1773 O TYR A 115 -6.268 3.042 -19.288 1.00 13.32 O ATOM 1774 CB TYR A 115 -8.132 5.219 -19.253 1.00 1.35 C ATOM 1775 CG TYR A 115 -9.537 5.658 -18.908 1.00 32.13 C ATOM 1776 CD1 TYR A 115 -9.830 6.203 -17.663 1.00 71.53 C ATOM 1777 CD2 TYR A 115 -10.572 5.527 -19.825 1.00 71.23 C ATOM 1778 CE1 TYR A 115 -11.113 6.604 -17.343 1.00 43.04 C ATOM 1779 CE2 TYR A 115 -11.857 5.927 -19.515 1.00 32.14 C ATOM 1780 CZ TYR A 115 -12.123 6.465 -18.272 1.00 64.34 C ATOM 1781 OH TYR A 115 -13.402 6.863 -17.959 1.00 2.14 O ATOM 0 H TYR A 115 -6.010 6.354 -18.632 1.00 41.03 H new ATOM 0 HA TYR A 115 -7.935 4.832 -17.148 1.00 65.54 H new ATOM 0 HB2 TYR A 115 -7.625 6.030 -19.775 1.00 1.35 H new ATOM 0 HB3 TYR A 115 -8.182 4.377 -19.944 1.00 1.35 H new ATOM 0 HD1 TYR A 115 -9.041 6.315 -16.934 1.00 71.53 H new ATOM 0 HD2 TYR A 115 -10.368 5.105 -20.798 1.00 71.23 H new ATOM 0 HE1 TYR A 115 -11.324 7.024 -16.371 1.00 43.04 H new ATOM 0 HE2 TYR A 115 -12.649 5.819 -20.241 1.00 32.14 H new ATOM 0 HH TYR A 115 -13.992 6.698 -18.724 1.00 2.14 H new ATOM 1791 N VAL A 116 -6.872 2.589 -17.168 1.00 55.41 N ATOM 1792 CA VAL A 116 -6.402 1.210 -17.213 1.00 3.23 C ATOM 1793 C VAL A 116 -7.475 0.247 -16.719 1.00 73.10 C ATOM 1794 O VAL A 116 -8.363 0.610 -15.947 1.00 2.02 O ATOM 1795 CB VAL A 116 -5.130 1.023 -16.364 1.00 12.42 C ATOM 1796 CG1 VAL A 116 -4.278 2.283 -16.394 1.00 31.01 C ATOM 1797 CG2 VAL A 116 -5.494 0.650 -14.935 1.00 13.12 C ATOM 0 H VAL A 116 -7.279 2.866 -16.275 1.00 55.41 H new ATOM 0 HA VAL A 116 -6.171 0.988 -18.255 1.00 3.23 H new ATOM 0 HB VAL A 116 -4.546 0.208 -16.791 1.00 12.42 H new ATOM 0 HG11 VAL A 116 -3.384 2.132 -15.789 1.00 31.01 H new ATOM 0 HG12 VAL A 116 -3.988 2.502 -17.422 1.00 31.01 H new ATOM 0 HG13 VAL A 116 -4.851 3.119 -15.993 1.00 31.01 H new ATOM 0 HG21 VAL A 116 -4.584 0.522 -14.349 1.00 13.12 H new ATOM 0 HG22 VAL A 116 -6.100 1.442 -14.495 1.00 13.12 H new ATOM 0 HG23 VAL A 116 -6.060 -0.282 -14.935 1.00 13.12 H new ATOM 1807 N PRO A 117 -7.395 -1.012 -17.174 1.00 25.54 N ATOM 1808 CA PRO A 117 -8.351 -2.055 -16.790 1.00 61.24 C ATOM 1809 C PRO A 117 -8.203 -2.469 -15.330 1.00 52.11 C ATOM 1810 O PRO A 117 -7.152 -2.957 -14.916 1.00 63.20 O ATOM 1811 CB PRO A 117 -7.994 -3.221 -17.715 1.00 64.43 C ATOM 1812 CG PRO A 117 -6.561 -3.006 -18.061 1.00 4.33 C ATOM 1813 CD PRO A 117 -6.363 -1.515 -18.096 1.00 70.53 C ATOM 0 HA PRO A 117 -9.383 -1.717 -16.886 1.00 61.24 H new ATOM 0 HB2 PRO A 117 -8.142 -4.180 -17.218 1.00 64.43 H new ATOM 0 HB3 PRO A 117 -8.620 -3.225 -18.607 1.00 64.43 H new ATOM 0 HG2 PRO A 117 -5.907 -3.469 -17.322 1.00 4.33 H new ATOM 0 HG3 PRO A 117 -6.321 -3.454 -19.025 1.00 4.33 H new ATOM 0 HD2 PRO A 117 -5.361 -1.235 -17.770 1.00 70.53 H new ATOM 0 HD3 PRO A 117 -6.494 -1.116 -19.102 1.00 70.53 H new ATOM 1821 N VAL A 118 -9.264 -2.271 -14.554 1.00 3.15 N ATOM 1822 CA VAL A 118 -9.252 -2.625 -13.139 1.00 74.02 C ATOM 1823 C VAL A 118 -10.199 -3.786 -12.856 1.00 23.31 C ATOM 1824 O VAL A 118 -10.342 -4.220 -11.712 1.00 42.12 O ATOM 1825 CB VAL A 118 -9.650 -1.426 -12.257 1.00 62.43 C ATOM 1826 CG1 VAL A 118 -8.712 -0.253 -12.496 1.00 63.24 C ATOM 1827 CG2 VAL A 118 -11.094 -1.027 -12.521 1.00 21.33 C ATOM 0 H VAL A 118 -10.142 -1.868 -14.881 1.00 3.15 H new ATOM 0 HA VAL A 118 -8.232 -2.923 -12.895 1.00 74.02 H new ATOM 0 HB VAL A 118 -9.564 -1.722 -11.211 1.00 62.43 H new ATOM 0 HG11 VAL A 118 -9.009 0.585 -11.865 1.00 63.24 H new ATOM 0 HG12 VAL A 118 -7.691 -0.548 -12.252 1.00 63.24 H new ATOM 0 HG13 VAL A 118 -8.763 0.046 -13.543 1.00 63.24 H new ATOM 0 HG21 VAL A 118 -11.358 -0.179 -11.890 1.00 21.33 H new ATOM 0 HG22 VAL A 118 -11.209 -0.749 -13.569 1.00 21.33 H new ATOM 0 HG23 VAL A 118 -11.751 -1.867 -12.294 1.00 21.33 H new ATOM 1837 N HIS A 119 -10.843 -4.287 -13.905 1.00 52.12 N ATOM 1838 CA HIS A 119 -11.776 -5.400 -13.770 1.00 11.13 C ATOM 1839 C HIS A 119 -11.956 -6.123 -15.101 1.00 23.41 C ATOM 1840 O HIS A 119 -11.944 -5.502 -16.163 1.00 52.35 O ATOM 1841 CB HIS A 119 -13.129 -4.900 -13.261 1.00 24.21 C ATOM 1842 CG HIS A 119 -14.294 -5.664 -13.810 1.00 13.30 C ATOM 1843 ND1 HIS A 119 -15.257 -6.244 -13.012 1.00 15.44 N ATOM 1844 CD2 HIS A 119 -14.650 -5.940 -15.087 1.00 2.54 C ATOM 1845 CE1 HIS A 119 -16.154 -6.845 -13.773 1.00 51.43 C ATOM 1846 NE2 HIS A 119 -15.809 -6.675 -15.037 1.00 3.52 N ATOM 0 H HIS A 119 -10.736 -3.940 -14.858 1.00 52.12 H new ATOM 0 HA HIS A 119 -11.362 -6.103 -13.048 1.00 11.13 H new ATOM 0 HB2 HIS A 119 -13.144 -4.962 -12.173 1.00 24.21 H new ATOM 0 HB3 HIS A 119 -13.240 -3.847 -13.522 1.00 24.21 H new ATOM 0 HD2 HIS A 119 -14.121 -5.638 -15.979 1.00 2.54 H new ATOM 0 HE1 HIS A 119 -17.022 -7.384 -13.422 1.00 51.43 H new ATOM 0 HE2 HIS A 119 -16.320 -7.032 -15.844 1.00 3.52 H new ATOM 1854 N PHE A 120 -12.121 -7.440 -15.035 1.00 62.44 N ATOM 1855 CA PHE A 120 -12.301 -8.249 -16.236 1.00 12.24 C ATOM 1856 C PHE A 120 -13.727 -8.785 -16.321 1.00 31.43 C ATOM 1857 O PHE A 120 -14.270 -9.294 -15.340 1.00 21.12 O ATOM 1858 CB PHE A 120 -11.305 -9.411 -16.248 1.00 54.51 C ATOM 1859 CG PHE A 120 -10.851 -9.796 -17.627 1.00 2.42 C ATOM 1860 CD1 PHE A 120 -11.692 -10.493 -18.478 1.00 71.25 C ATOM 1861 CD2 PHE A 120 -9.582 -9.459 -18.071 1.00 73.45 C ATOM 1862 CE1 PHE A 120 -11.276 -10.849 -19.747 1.00 62.43 C ATOM 1863 CE2 PHE A 120 -9.161 -9.813 -19.340 1.00 4.54 C ATOM 1864 CZ PHE A 120 -10.009 -10.508 -20.179 1.00 10.41 C ATOM 0 H PHE A 120 -12.134 -7.970 -14.164 1.00 62.44 H new ATOM 0 HA PHE A 120 -12.118 -7.614 -17.103 1.00 12.24 H new ATOM 0 HB2 PHE A 120 -10.435 -9.140 -15.650 1.00 54.51 H new ATOM 0 HB3 PHE A 120 -11.763 -10.277 -15.770 1.00 54.51 H new ATOM 0 HD1 PHE A 120 -12.684 -10.761 -18.146 1.00 71.25 H new ATOM 0 HD2 PHE A 120 -8.915 -8.914 -17.419 1.00 73.45 H new ATOM 0 HE1 PHE A 120 -11.941 -11.394 -20.401 1.00 62.43 H new ATOM 0 HE2 PHE A 120 -8.169 -9.546 -19.674 1.00 4.54 H new ATOM 0 HZ PHE A 120 -9.683 -10.784 -21.171 1.00 10.41 H new ATOM 1874 N ASP A 121 -14.328 -8.667 -17.500 1.00 24.42 N ATOM 1875 CA ASP A 121 -15.690 -9.140 -17.715 1.00 32.55 C ATOM 1876 C ASP A 121 -15.690 -10.521 -18.364 1.00 12.11 C ATOM 1877 O ASP A 121 -16.002 -11.521 -17.718 1.00 64.34 O ATOM 1878 CB ASP A 121 -16.464 -8.152 -18.588 1.00 72.23 C ATOM 1879 CG ASP A 121 -17.951 -8.449 -18.621 1.00 65.10 C ATOM 1880 OD1 ASP A 121 -18.359 -9.346 -19.388 1.00 12.32 O ATOM 1881 OD2 ASP A 121 -18.705 -7.784 -17.880 1.00 72.15 O ATOM 0 H ASP A 121 -13.893 -8.248 -18.322 1.00 24.42 H new ATOM 0 HA ASP A 121 -16.180 -9.215 -16.744 1.00 32.55 H new ATOM 0 HB2 ASP A 121 -16.307 -7.140 -18.214 1.00 72.23 H new ATOM 0 HB3 ASP A 121 -16.068 -8.181 -19.603 1.00 72.23 H new ATOM 1886 N ALA A 122 -15.340 -10.566 -19.645 1.00 60.51 N ATOM 1887 CA ALA A 122 -15.299 -11.824 -20.381 1.00 42.35 C ATOM 1888 C ALA A 122 -14.660 -11.636 -21.753 1.00 52.34 C ATOM 1889 O ALA A 122 -14.504 -10.510 -22.227 1.00 71.30 O ATOM 1890 CB ALA A 122 -16.700 -12.398 -20.524 1.00 35.11 C ATOM 0 H ALA A 122 -15.081 -9.747 -20.195 1.00 60.51 H new ATOM 0 HA ALA A 122 -14.686 -12.527 -19.816 1.00 42.35 H new ATOM 0 HB1 ALA A 122 -16.654 -13.337 -21.076 1.00 35.11 H new ATOM 0 HB2 ALA A 122 -17.122 -12.578 -19.535 1.00 35.11 H new ATOM 0 HB3 ALA A 122 -17.330 -11.691 -21.064 1.00 35.11 H new ATOM 1896 N SER A 123 -14.292 -12.745 -22.387 1.00 1.13 N ATOM 1897 CA SER A 123 -13.666 -12.702 -23.703 1.00 2.41 C ATOM 1898 C SER A 123 -14.708 -12.860 -24.806 1.00 0.22 C ATOM 1899 O SER A 123 -15.619 -13.682 -24.702 1.00 43.30 O ATOM 1900 CB SER A 123 -12.608 -13.800 -23.824 1.00 3.10 C ATOM 1901 OG SER A 123 -13.117 -15.049 -23.390 1.00 11.13 O ATOM 0 H SER A 123 -14.417 -13.685 -22.010 1.00 1.13 H new ATOM 0 HA SER A 123 -13.186 -11.730 -23.818 1.00 2.41 H new ATOM 0 HB2 SER A 123 -12.278 -13.879 -24.860 1.00 3.10 H new ATOM 0 HB3 SER A 123 -11.734 -13.534 -23.230 1.00 3.10 H new ATOM 0 HG SER A 123 -12.422 -15.734 -23.479 1.00 11.13 H new ATOM 1907 N VAL A 124 -14.567 -12.066 -25.863 1.00 32.13 N ATOM 1908 CA VAL A 124 -15.495 -12.117 -26.986 1.00 61.44 C ATOM 1909 C VAL A 124 -15.190 -13.302 -27.897 1.00 11.32 C ATOM 1910 O VAL A 124 -14.245 -14.053 -27.658 1.00 52.24 O ATOM 1911 CB VAL A 124 -15.445 -10.820 -27.815 1.00 63.34 C ATOM 1912 CG1 VAL A 124 -16.784 -10.564 -28.489 1.00 35.54 C ATOM 1913 CG2 VAL A 124 -15.046 -9.643 -26.938 1.00 60.13 C ATOM 0 H VAL A 124 -13.819 -11.380 -25.965 1.00 32.13 H new ATOM 0 HA VAL A 124 -16.494 -12.232 -26.566 1.00 61.44 H new ATOM 0 HB VAL A 124 -14.691 -10.936 -28.593 1.00 63.34 H new ATOM 0 HG11 VAL A 124 -16.729 -9.643 -29.070 1.00 35.54 H new ATOM 0 HG12 VAL A 124 -17.024 -11.397 -29.150 1.00 35.54 H new ATOM 0 HG13 VAL A 124 -17.561 -10.468 -27.730 1.00 35.54 H new ATOM 0 HG21 VAL A 124 -15.016 -8.735 -27.540 1.00 60.13 H new ATOM 0 HG22 VAL A 124 -15.775 -9.523 -26.136 1.00 60.13 H new ATOM 0 HG23 VAL A 124 -14.061 -9.827 -26.508 1.00 60.13 H new ATOM 1923 N GLU A 125 -15.997 -13.461 -28.941 1.00 72.31 N ATOM 1924 CA GLU A 125 -15.813 -14.555 -29.888 1.00 32.34 C ATOM 1925 C GLU A 125 -15.053 -14.083 -31.124 1.00 34.11 C ATOM 1926 O GLU A 125 -13.913 -14.484 -31.355 1.00 63.34 O ATOM 1927 CB GLU A 125 -17.168 -15.136 -30.299 1.00 24.51 C ATOM 1928 CG GLU A 125 -17.917 -15.801 -29.156 1.00 52.42 C ATOM 1929 CD GLU A 125 -17.841 -15.005 -27.868 1.00 1.42 C ATOM 1930 OE1 GLU A 125 -18.184 -13.804 -27.892 1.00 33.03 O ATOM 1931 OE2 GLU A 125 -17.438 -15.581 -26.836 1.00 61.43 O ATOM 0 H GLU A 125 -16.784 -12.847 -29.153 1.00 72.31 H new ATOM 0 HA GLU A 125 -15.226 -15.332 -29.397 1.00 32.34 H new ATOM 0 HB2 GLU A 125 -17.786 -14.338 -30.712 1.00 24.51 H new ATOM 0 HB3 GLU A 125 -17.015 -15.865 -31.095 1.00 24.51 H new ATOM 0 HG2 GLU A 125 -18.962 -15.930 -29.438 1.00 52.42 H new ATOM 0 HG3 GLU A 125 -17.507 -16.797 -28.988 1.00 52.42 H new