USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 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 87 THR OG1 : rot 180:sc= 1.13 USER MOD Set 1.2: A 90 SER OG : rot 134:sc= -2.58! USER MOD Set 2.1: A 48 HIS : no HD1:sc= -0.297! C(o=0.12!,f=-7.4!) USER MOD Set 2.2: A 82 THR OG1 : rot 110:sc= 0.418! USER MOD Set 3.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 105 HIS : no HD1:sc= -2.4! K(o=-2.4!,f=-0.62) USER MOD Set 4.1: A 73 TYR OH : rot 68:sc= 2.08 USER MOD Set 4.2: A 115 TYR OH : rot -144:sc= 0.892 USER MOD Set 5.1: A 67 ASN : amide:sc= -0.568 K(o=-1.7,f=-0.062) USER MOD Set 5.2: A 69 GLN : amide:sc= -1.14 K(o=-1.7,f=-0.062) USER MOD Set 6.1: A 60 GLN : amide:sc= -6.89! C(o=-14!,f=-11!) USER MOD Set 6.2: A 76 ASN : amide:sc= -6.76! C(o=-14!,f=-8.7!) USER MOD Set 7.1: A 30 MET CE :methyl -110:sc= -1.92 (180deg=-3.19!) USER MOD Set 7.2: A 44 ASN : amide:sc= -3.08! C(o=-5!,f=-4.4!) USER MOD Set 8.1: A 11 GLN : amide:sc= -1.03 K(o=-3,f=-3.9!) USER MOD Set 8.2: A 35 MET CE :methyl -109:sc= -2.02 (180deg=-3.41!) USER MOD Set 9.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set10.1: A 6 LYS NZ :NH3+ -178:sc= 0.397 (180deg=0) USER MOD Set10.2: A 9 GLN : amide:sc= -3.84! C(o=-3.4!,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -9.61! C(o=-9.6!,f=-7.7!) USER MOD Single : A 13 MET CE :methyl -147:sc= -0.123 (180deg=-1.61) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0534 USER MOD Single : A 17 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 -60:sc= 0.413 USER MOD Single : A 21 SER OG : rot -114:sc= 0.00963 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 25 TYR OH : rot 116:sc= 0.312 USER MOD Single : A 27 ASN : amide:sc= -4.51! C(o=-4.5!,f=-6.7!) USER MOD Single : A 29 MET CE :methyl 147:sc= -0.585 (180deg=-2.22!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 80:sc= -1.52 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0.0323 (180deg=0.0309) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 55 GLN : amide:sc= -12.8! C(o=-13!,f=-7.5!) USER MOD Single : A 56 ASN : amide:sc= 1.11 K(o=1.1,f=-0.011) 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 71 ASN : amide:sc= -5.74! C(o=-5.7!,f=-5.6!) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.0129 (180deg=-0.0971) USER MOD Single : A 75 SER OG : rot 37:sc= 0.939 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -135:sc= -0.521 (180deg=-2.48!) USER MOD Single : A 80 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-2.7!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.874 K(o=-0.87,f=-3.6!) USER MOD Single : A 97 TYR OH : rot 30:sc= -0.677 USER MOD Single : A 99 THR OG1 : rot 150:sc= 1.06 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= -0.188 (180deg=-1.52!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -5.88! C(o=-5.9!,f=-3.8!) USER MOD Single : A 123 SER OG : rot 28:sc= 0.0229 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.190 0.150 -7.451 1.00 41.01 N ATOM 50 CA ARG A 4 -5.272 -0.825 -7.515 1.00 24.41 C ATOM 51 C ARG A 4 -5.211 -1.620 -8.816 1.00 54.44 C ATOM 52 O ARG A 4 -5.246 -2.850 -8.807 1.00 1.44 O ATOM 53 CB ARG A 4 -6.626 -0.125 -7.394 1.00 53.05 C ATOM 54 CG ARG A 4 -7.812 -1.057 -7.579 1.00 35.33 C ATOM 55 CD ARG A 4 -8.066 -1.889 -6.331 1.00 54.11 C ATOM 56 NE ARG A 4 -9.342 -1.557 -5.703 1.00 33.15 N ATOM 57 CZ ARG A 4 -9.483 -0.611 -4.781 1.00 33.34 C ATOM 58 NH1 ARG A 4 -8.433 0.093 -4.382 1.00 61.14 N ATOM 59 NH2 ARG A 4 -10.677 -0.368 -4.255 1.00 53.23 N ATOM 0 HA ARG A 4 -5.154 -1.517 -6.681 1.00 24.41 H new ATOM 0 HB2 ARG A 4 -6.695 0.347 -6.414 1.00 53.05 H new ATOM 0 HB3 ARG A 4 -6.681 0.671 -8.136 1.00 53.05 H new ATOM 0 HG2 ARG A 4 -8.702 -0.473 -7.816 1.00 35.33 H new ATOM 0 HG3 ARG A 4 -7.629 -1.717 -8.427 1.00 35.33 H new ATOM 0 HD2 ARG A 4 -8.055 -2.947 -6.592 1.00 54.11 H new ATOM 0 HD3 ARG A 4 -7.258 -1.728 -5.617 1.00 54.11 H new ATOM 0 HE ARG A 4 -10.170 -2.080 -5.988 1.00 33.15 H new ATOM 0 HH11 ARG A 4 -7.513 -0.091 -4.783 1.00 61.14 H new ATOM 0 HH12 ARG A 4 -8.545 0.819 -3.674 1.00 61.14 H new ATOM 0 HH21 ARG A 4 -11.487 -0.908 -4.559 1.00 53.23 H new ATOM 0 HH22 ARG A 4 -10.784 0.359 -3.547 1.00 53.23 H new ATOM 73 N ALA A 5 -5.122 -0.907 -9.935 1.00 21.13 N ATOM 74 CA ALA A 5 -5.056 -1.545 -11.244 1.00 5.04 C ATOM 75 C ALA A 5 -4.107 -2.739 -11.225 1.00 34.21 C ATOM 76 O ALA A 5 -4.362 -3.758 -11.868 1.00 40.31 O ATOM 77 CB ALA A 5 -4.620 -0.539 -12.299 1.00 71.53 C ATOM 0 H ALA A 5 -5.094 0.112 -9.961 1.00 21.13 H new ATOM 0 HA ALA A 5 -6.052 -1.910 -11.494 1.00 5.04 H new ATOM 0 HB1 ALA A 5 -4.575 -1.029 -13.272 1.00 71.53 H new ATOM 0 HB2 ALA A 5 -5.337 0.281 -12.338 1.00 71.53 H new ATOM 0 HB3 ALA A 5 -3.635 -0.148 -12.044 1.00 71.53 H new ATOM 83 N LYS A 6 -3.012 -2.608 -10.484 1.00 53.30 N ATOM 84 CA LYS A 6 -2.025 -3.676 -10.380 1.00 53.23 C ATOM 85 C LYS A 6 -2.691 -4.998 -10.011 1.00 2.41 C ATOM 86 O LYS A 6 -2.338 -6.052 -10.540 1.00 51.34 O ATOM 87 CB LYS A 6 -0.964 -3.318 -9.337 1.00 40.04 C ATOM 88 CG LYS A 6 0.413 -3.074 -9.930 1.00 41.20 C ATOM 89 CD LYS A 6 1.075 -4.373 -10.356 1.00 63.40 C ATOM 90 CE LYS A 6 1.889 -4.193 -11.628 1.00 61.33 C ATOM 91 NZ LYS A 6 1.069 -4.427 -12.849 1.00 51.11 N ATOM 0 H LYS A 6 -2.786 -1.772 -9.946 1.00 53.30 H new ATOM 0 HA LYS A 6 -1.546 -3.790 -11.352 1.00 53.23 H new ATOM 0 HB2 LYS A 6 -1.282 -2.425 -8.799 1.00 40.04 H new ATOM 0 HB3 LYS A 6 -0.898 -4.124 -8.606 1.00 40.04 H new ATOM 0 HG2 LYS A 6 0.327 -2.409 -10.790 1.00 41.20 H new ATOM 0 HG3 LYS A 6 1.041 -2.568 -9.197 1.00 41.20 H new ATOM 0 HD2 LYS A 6 1.723 -4.732 -9.556 1.00 63.40 H new ATOM 0 HD3 LYS A 6 0.313 -5.136 -10.515 1.00 63.40 H new ATOM 0 HE2 LYS A 6 2.302 -3.184 -11.655 1.00 61.33 H new ATOM 0 HE3 LYS A 6 2.733 -4.883 -11.620 1.00 61.33 H new ATOM 0 HZ1 LYS A 6 1.668 -4.328 -13.694 1.00 51.11 H new ATOM 0 HZ2 LYS A 6 0.668 -5.386 -12.819 1.00 51.11 H new ATOM 0 HZ3 LYS A 6 0.298 -3.730 -12.888 1.00 51.11 H new ATOM 105 N LYS A 7 -3.656 -4.934 -9.100 1.00 73.52 N ATOM 106 CA LYS A 7 -4.374 -6.125 -8.661 1.00 60.55 C ATOM 107 C LYS A 7 -5.066 -6.808 -9.837 1.00 40.32 C ATOM 108 O LYS A 7 -5.101 -8.035 -9.923 1.00 22.44 O ATOM 109 CB LYS A 7 -5.405 -5.759 -7.592 1.00 32.44 C ATOM 110 CG LYS A 7 -4.966 -6.105 -6.179 1.00 64.15 C ATOM 111 CD LYS A 7 -4.957 -4.879 -5.282 1.00 41.01 C ATOM 112 CE LYS A 7 -3.766 -4.889 -4.337 1.00 5.53 C ATOM 113 NZ LYS A 7 -2.696 -3.954 -4.783 1.00 43.30 N ATOM 0 H LYS A 7 -3.959 -4.070 -8.651 1.00 73.52 H new ATOM 0 HA LYS A 7 -3.649 -6.819 -8.236 1.00 60.55 H new ATOM 0 HB2 LYS A 7 -5.610 -4.690 -7.648 1.00 32.44 H new ATOM 0 HB3 LYS A 7 -6.340 -6.275 -7.809 1.00 32.44 H new ATOM 0 HG2 LYS A 7 -5.637 -6.857 -5.763 1.00 64.15 H new ATOM 0 HG3 LYS A 7 -3.969 -6.546 -6.204 1.00 64.15 H new ATOM 0 HD2 LYS A 7 -4.929 -3.978 -5.895 1.00 41.01 H new ATOM 0 HD3 LYS A 7 -5.881 -4.843 -4.705 1.00 41.01 H new ATOM 0 HE2 LYS A 7 -4.095 -4.613 -3.335 1.00 5.53 H new ATOM 0 HE3 LYS A 7 -3.362 -5.899 -4.273 1.00 5.53 H new ATOM 0 HZ1 LYS A 7 -1.902 -3.990 -4.113 1.00 43.30 H new ATOM 0 HZ2 LYS A 7 -2.364 -4.232 -5.728 1.00 43.30 H new ATOM 0 HZ3 LYS A 7 -3.074 -2.986 -4.820 1.00 43.30 H new ATOM 127 N PHE A 8 -5.614 -6.004 -10.742 1.00 74.15 N ATOM 128 CA PHE A 8 -6.305 -6.531 -11.914 1.00 1.20 C ATOM 129 C PHE A 8 -5.347 -7.323 -12.799 1.00 52.45 C ATOM 130 O PHE A 8 -5.752 -8.262 -13.483 1.00 70.23 O ATOM 131 CB PHE A 8 -6.935 -5.390 -12.717 1.00 23.54 C ATOM 132 CG PHE A 8 -7.366 -5.796 -14.097 1.00 12.01 C ATOM 133 CD1 PHE A 8 -8.539 -6.508 -14.289 1.00 53.22 C ATOM 134 CD2 PHE A 8 -6.599 -5.465 -15.202 1.00 51.12 C ATOM 135 CE1 PHE A 8 -8.938 -6.883 -15.558 1.00 51.22 C ATOM 136 CE2 PHE A 8 -6.993 -5.837 -16.474 1.00 11.22 C ATOM 137 CZ PHE A 8 -8.165 -6.546 -16.652 1.00 3.11 C ATOM 0 H PHE A 8 -5.593 -4.986 -10.687 1.00 74.15 H new ATOM 0 HA PHE A 8 -7.093 -7.202 -11.570 1.00 1.20 H new ATOM 0 HB2 PHE A 8 -7.799 -5.007 -12.173 1.00 23.54 H new ATOM 0 HB3 PHE A 8 -6.219 -4.572 -12.794 1.00 23.54 H new ATOM 0 HD1 PHE A 8 -9.148 -6.773 -13.438 1.00 53.22 H new ATOM 0 HD2 PHE A 8 -5.682 -4.910 -15.068 1.00 51.12 H new ATOM 0 HE1 PHE A 8 -9.854 -7.439 -15.694 1.00 51.22 H new ATOM 0 HE2 PHE A 8 -6.385 -5.574 -17.327 1.00 11.22 H new ATOM 0 HZ PHE A 8 -8.476 -6.836 -17.645 1.00 3.11 H new ATOM 147 N GLN A 9 -4.076 -6.935 -12.781 1.00 10.31 N ATOM 148 CA GLN A 9 -3.061 -7.607 -13.583 1.00 61.10 C ATOM 149 C GLN A 9 -2.830 -9.031 -13.087 1.00 3.42 C ATOM 150 O GLN A 9 -2.835 -9.980 -13.870 1.00 61.04 O ATOM 151 CB GLN A 9 -1.749 -6.822 -13.546 1.00 3.12 C ATOM 152 CG GLN A 9 -1.578 -5.866 -14.716 1.00 31.33 C ATOM 153 CD GLN A 9 -1.931 -4.436 -14.357 1.00 72.23 C ATOM 154 OE1 GLN A 9 -1.060 -3.570 -14.281 1.00 44.22 O ATOM 155 NE2 GLN A 9 -3.215 -4.181 -14.135 1.00 32.11 N ATOM 0 H GLN A 9 -3.725 -6.159 -12.220 1.00 10.31 H new ATOM 0 HA GLN A 9 -3.419 -7.654 -14.612 1.00 61.10 H new ATOM 0 HB2 GLN A 9 -1.700 -6.256 -12.615 1.00 3.12 H new ATOM 0 HB3 GLN A 9 -0.915 -7.524 -13.537 1.00 3.12 H new ATOM 0 HG2 GLN A 9 -0.546 -5.905 -15.064 1.00 31.33 H new ATOM 0 HG3 GLN A 9 -2.206 -6.195 -15.544 1.00 31.33 H new ATOM 0 HE21 GLN A 9 -3.904 -4.930 -14.209 1.00 32.11 H new ATOM 0 HE22 GLN A 9 -3.513 -3.236 -13.890 1.00 32.11 H new ATOM 164 N ARG A 10 -2.627 -9.171 -11.781 1.00 22.01 N ATOM 165 CA ARG A 10 -2.392 -10.479 -11.180 1.00 41.35 C ATOM 166 C ARG A 10 -3.692 -11.271 -11.078 1.00 21.12 C ATOM 167 O ARG A 10 -3.726 -12.352 -10.490 1.00 45.13 O ATOM 168 CB ARG A 10 -1.767 -10.322 -9.793 1.00 41.31 C ATOM 169 CG ARG A 10 -0.247 -10.338 -9.804 1.00 71.23 C ATOM 170 CD ARG A 10 0.309 -11.200 -8.682 1.00 10.04 C ATOM 171 NE ARG A 10 0.150 -10.567 -7.375 1.00 54.32 N ATOM 172 CZ ARG A 10 1.008 -9.684 -6.877 1.00 24.44 C ATOM 173 NH1 ARG A 10 2.081 -9.333 -7.572 1.00 2.43 N ATOM 174 NH2 ARG A 10 0.794 -9.152 -5.680 1.00 45.33 N ATOM 0 H ARG A 10 -2.620 -8.395 -11.119 1.00 22.01 H new ATOM 0 HA ARG A 10 -1.702 -11.027 -11.821 1.00 41.35 H new ATOM 0 HB2 ARG A 10 -2.109 -9.385 -9.354 1.00 41.31 H new ATOM 0 HB3 ARG A 10 -2.126 -11.125 -9.149 1.00 41.31 H new ATOM 0 HG2 ARG A 10 0.107 -10.715 -10.763 1.00 71.23 H new ATOM 0 HG3 ARG A 10 0.129 -9.320 -9.703 1.00 71.23 H new ATOM 0 HD2 ARG A 10 -0.198 -12.165 -8.681 1.00 10.04 H new ATOM 0 HD3 ARG A 10 1.366 -11.395 -8.864 1.00 10.04 H new ATOM 0 HE ARG A 10 -0.665 -10.817 -6.814 1.00 54.32 H new ATOM 0 HH11 ARG A 10 2.249 -9.741 -8.491 1.00 2.43 H new ATOM 0 HH12 ARG A 10 2.738 -8.655 -7.187 1.00 2.43 H new ATOM 0 HH21 ARG A 10 -0.030 -9.421 -5.142 1.00 45.33 H new ATOM 0 HH22 ARG A 10 1.453 -8.474 -5.298 1.00 45.33 H new ATOM 188 N GLN A 11 -4.759 -10.725 -11.653 1.00 24.23 N ATOM 189 CA GLN A 11 -6.061 -11.381 -11.624 1.00 64.03 C ATOM 190 C GLN A 11 -6.316 -12.142 -12.922 1.00 5.55 C ATOM 191 O GLN A 11 -6.549 -13.351 -12.909 1.00 4.31 O ATOM 192 CB GLN A 11 -7.169 -10.352 -11.397 1.00 1.44 C ATOM 193 CG GLN A 11 -7.479 -10.106 -9.929 1.00 31.32 C ATOM 194 CD GLN A 11 -7.529 -11.388 -9.121 1.00 5.04 C ATOM 195 OE1 GLN A 11 -6.501 -11.884 -8.658 1.00 43.03 O ATOM 196 NE2 GLN A 11 -8.727 -11.932 -8.946 1.00 12.04 N ATOM 0 H GLN A 11 -4.747 -9.831 -12.144 1.00 24.23 H new ATOM 0 HA GLN A 11 -6.062 -12.094 -10.799 1.00 64.03 H new ATOM 0 HB2 GLN A 11 -6.879 -9.410 -11.861 1.00 1.44 H new ATOM 0 HB3 GLN A 11 -8.075 -10.689 -11.900 1.00 1.44 H new ATOM 0 HG2 GLN A 11 -6.722 -9.445 -9.508 1.00 31.32 H new ATOM 0 HG3 GLN A 11 -8.436 -9.590 -9.845 1.00 31.32 H new ATOM 0 HE21 GLN A 11 -9.553 -11.487 -9.347 1.00 12.04 H new ATOM 0 HE22 GLN A 11 -8.822 -12.795 -8.410 1.00 12.04 H new ATOM 205 N HIS A 12 -6.270 -11.425 -14.040 1.00 71.24 N ATOM 206 CA HIS A 12 -6.496 -12.033 -15.347 1.00 31.11 C ATOM 207 C HIS A 12 -5.257 -11.903 -16.228 1.00 73.21 C ATOM 208 O HIS A 12 -4.922 -12.816 -16.982 1.00 22.21 O ATOM 209 CB HIS A 12 -7.696 -11.382 -16.035 1.00 72.11 C ATOM 210 CG HIS A 12 -8.728 -10.866 -15.079 1.00 64.43 C ATOM 211 ND1 HIS A 12 -9.929 -11.504 -14.853 1.00 12.43 N ATOM 212 CD2 HIS A 12 -8.731 -9.768 -14.288 1.00 62.11 C ATOM 213 CE1 HIS A 12 -10.628 -10.819 -13.965 1.00 3.31 C ATOM 214 NE2 HIS A 12 -9.923 -9.761 -13.606 1.00 24.21 N ATOM 0 H HIS A 12 -6.079 -10.424 -14.068 1.00 71.24 H new ATOM 0 HA HIS A 12 -6.704 -13.092 -15.197 1.00 31.11 H new ATOM 0 HB2 HIS A 12 -7.345 -10.559 -16.657 1.00 72.11 H new ATOM 0 HB3 HIS A 12 -8.161 -12.109 -16.701 1.00 72.11 H new ATOM 0 HD2 HIS A 12 -7.943 -9.034 -14.208 1.00 62.11 H new ATOM 0 HE1 HIS A 12 -11.609 -11.080 -13.596 1.00 3.31 H new ATOM 0 HE2 HIS A 12 -10.216 -9.054 -12.932 1.00 24.21 H new ATOM 222 N MET A 13 -4.583 -10.763 -16.128 1.00 3.51 N ATOM 223 CA MET A 13 -3.381 -10.514 -16.916 1.00 20.12 C ATOM 224 C MET A 13 -2.259 -11.464 -16.509 1.00 45.34 C ATOM 225 O MET A 13 -1.605 -11.265 -15.485 1.00 32.00 O ATOM 226 CB MET A 13 -2.925 -9.064 -16.746 1.00 5.23 C ATOM 227 CG MET A 13 -4.053 -8.053 -16.870 1.00 60.00 C ATOM 228 SD MET A 13 -4.806 -8.051 -18.508 1.00 51.13 S ATOM 229 CE MET A 13 -3.423 -7.523 -19.516 1.00 62.22 C ATOM 0 H MET A 13 -4.848 -9.997 -15.509 1.00 3.51 H new ATOM 0 HA MET A 13 -3.620 -10.691 -17.965 1.00 20.12 H new ATOM 0 HB2 MET A 13 -2.454 -8.952 -15.769 1.00 5.23 H new ATOM 0 HB3 MET A 13 -2.164 -8.841 -17.494 1.00 5.23 H new ATOM 0 HG2 MET A 13 -4.816 -8.273 -16.124 1.00 60.00 H new ATOM 0 HG3 MET A 13 -3.669 -7.057 -16.650 1.00 60.00 H new ATOM 0 HE1 MET A 13 -3.789 -6.930 -20.354 1.00 62.22 H new ATOM 0 HE2 MET A 13 -2.743 -6.920 -18.914 1.00 62.22 H new ATOM 0 HE3 MET A 13 -2.894 -8.398 -19.894 1.00 62.22 H new ATOM 239 N ASP A 14 -2.041 -12.495 -17.318 1.00 5.02 N ATOM 240 CA ASP A 14 -0.996 -13.475 -17.042 1.00 73.03 C ATOM 241 C ASP A 14 0.163 -13.324 -18.023 1.00 34.42 C ATOM 242 O ASP A 14 1.037 -14.187 -18.103 1.00 74.45 O ATOM 243 CB ASP A 14 -1.565 -14.893 -17.119 1.00 42.23 C ATOM 244 CG ASP A 14 -1.071 -15.649 -18.337 1.00 30.31 C ATOM 245 OD1 ASP A 14 -1.726 -15.560 -19.396 1.00 33.40 O ATOM 246 OD2 ASP A 14 -0.030 -16.331 -18.230 1.00 43.24 O ATOM 0 H ASP A 14 -2.573 -12.674 -18.170 1.00 5.02 H new ATOM 0 HA ASP A 14 -0.621 -13.297 -16.034 1.00 73.03 H new ATOM 0 HB2 ASP A 14 -1.290 -15.441 -16.218 1.00 42.23 H new ATOM 0 HB3 ASP A 14 -2.654 -14.844 -17.142 1.00 42.23 H new ATOM 251 N SER A 15 0.162 -12.223 -18.767 1.00 61.11 N ATOM 252 CA SER A 15 1.211 -11.962 -19.746 1.00 52.40 C ATOM 253 C SER A 15 2.552 -12.506 -19.264 1.00 1.32 C ATOM 254 O SER A 15 3.264 -13.181 -20.007 1.00 60.02 O ATOM 255 CB SER A 15 1.324 -10.460 -20.015 1.00 13.21 C ATOM 256 OG SER A 15 1.623 -9.750 -18.826 1.00 4.23 O ATOM 0 H SER A 15 -0.553 -11.498 -18.711 1.00 61.11 H new ATOM 0 HA SER A 15 0.944 -12.471 -20.672 1.00 52.40 H new ATOM 0 HB2 SER A 15 2.102 -10.278 -20.756 1.00 13.21 H new ATOM 0 HB3 SER A 15 0.389 -10.092 -20.437 1.00 13.21 H new ATOM 0 HG SER A 15 1.692 -8.793 -19.025 1.00 4.23 H new ATOM 262 N ASP A 16 2.890 -12.206 -18.014 1.00 72.44 N ATOM 263 CA ASP A 16 4.145 -12.666 -17.431 1.00 12.33 C ATOM 264 C ASP A 16 4.503 -14.059 -17.939 1.00 12.22 C ATOM 265 O ASP A 16 5.534 -14.249 -18.584 1.00 75.13 O ATOM 266 CB ASP A 16 4.049 -12.675 -15.904 1.00 72.12 C ATOM 267 CG ASP A 16 5.408 -12.769 -15.239 1.00 51.22 C ATOM 268 OD1 ASP A 16 6.273 -11.918 -15.535 1.00 25.31 O ATOM 269 OD2 ASP A 16 5.606 -13.692 -14.422 1.00 72.23 O ATOM 0 H ASP A 16 2.313 -11.647 -17.386 1.00 72.44 H new ATOM 0 HA ASP A 16 4.932 -11.976 -17.734 1.00 12.33 H new ATOM 0 HB2 ASP A 16 3.546 -11.768 -15.569 1.00 72.12 H new ATOM 0 HB3 ASP A 16 3.433 -13.517 -15.587 1.00 72.12 H new ATOM 274 N SER A 17 3.645 -15.030 -17.642 1.00 40.12 N ATOM 275 CA SER A 17 3.873 -16.407 -18.065 1.00 2.24 C ATOM 276 C SER A 17 3.930 -16.506 -19.586 1.00 54.00 C ATOM 277 O SER A 17 3.755 -15.512 -20.291 1.00 11.02 O ATOM 278 CB SER A 17 2.770 -17.318 -17.523 1.00 70.14 C ATOM 279 OG SER A 17 3.289 -18.584 -17.154 1.00 44.23 O ATOM 0 H SER A 17 2.786 -14.889 -17.110 1.00 40.12 H new ATOM 0 HA SER A 17 4.832 -16.731 -17.662 1.00 2.24 H new ATOM 0 HB2 SER A 17 2.299 -16.849 -16.659 1.00 70.14 H new ATOM 0 HB3 SER A 17 1.995 -17.445 -18.279 1.00 70.14 H new ATOM 0 HG SER A 17 2.564 -19.147 -16.809 1.00 44.23 H new ATOM 285 N SER A 18 4.175 -17.713 -20.085 1.00 61.14 N ATOM 286 CA SER A 18 4.259 -17.943 -21.523 1.00 32.11 C ATOM 287 C SER A 18 3.039 -18.712 -22.022 1.00 24.42 C ATOM 288 O SER A 18 2.314 -19.344 -21.253 1.00 3.43 O ATOM 289 CB SER A 18 5.536 -18.713 -21.864 1.00 42.21 C ATOM 290 OG SER A 18 6.551 -17.838 -22.327 1.00 35.03 O ATOM 0 H SER A 18 4.319 -18.547 -19.515 1.00 61.14 H new ATOM 0 HA SER A 18 4.284 -16.973 -22.020 1.00 32.11 H new ATOM 0 HB2 SER A 18 5.888 -19.249 -20.982 1.00 42.21 H new ATOM 0 HB3 SER A 18 5.321 -19.461 -22.627 1.00 42.21 H new ATOM 0 HG SER A 18 7.357 -18.354 -22.537 1.00 35.03 H new ATOM 296 N PRO A 19 2.807 -18.659 -23.342 1.00 32.43 N ATOM 297 CA PRO A 19 1.676 -19.345 -23.975 1.00 24.45 C ATOM 298 C PRO A 19 1.839 -20.862 -23.965 1.00 4.50 C ATOM 299 O PRO A 19 2.659 -21.403 -23.223 1.00 1.50 O ATOM 300 CB PRO A 19 1.698 -18.814 -25.410 1.00 73.40 C ATOM 301 CG PRO A 19 3.113 -18.412 -25.644 1.00 52.30 C ATOM 302 CD PRO A 19 3.630 -17.926 -24.318 1.00 72.11 C ATOM 0 HA PRO A 19 0.739 -19.157 -23.451 1.00 24.45 H new ATOM 0 HB2 PRO A 19 1.381 -19.578 -26.120 1.00 73.40 H new ATOM 0 HB3 PRO A 19 1.021 -17.968 -25.529 1.00 73.40 H new ATOM 0 HG2 PRO A 19 3.703 -19.253 -26.008 1.00 52.30 H new ATOM 0 HG3 PRO A 19 3.176 -17.628 -26.399 1.00 52.30 H new ATOM 0 HD2 PRO A 19 4.690 -18.146 -24.195 1.00 72.11 H new ATOM 0 HD3 PRO A 19 3.514 -16.847 -24.212 1.00 72.11 H new ATOM 310 N SER A 20 1.054 -21.542 -24.794 1.00 0.21 N ATOM 311 CA SER A 20 1.109 -22.997 -24.878 1.00 44.52 C ATOM 312 C SER A 20 0.627 -23.635 -23.579 1.00 54.33 C ATOM 313 O SER A 20 1.274 -24.530 -23.037 1.00 31.14 O ATOM 314 CB SER A 20 2.535 -23.457 -25.187 1.00 4.34 C ATOM 315 OG SER A 20 2.584 -24.856 -25.404 1.00 71.23 O ATOM 0 H SER A 20 0.372 -21.109 -25.417 1.00 0.21 H new ATOM 0 HA SER A 20 0.449 -23.315 -25.685 1.00 44.52 H new ATOM 0 HB2 SER A 20 2.905 -22.936 -26.070 1.00 4.34 H new ATOM 0 HB3 SER A 20 3.193 -23.191 -24.360 1.00 4.34 H new ATOM 0 HG SER A 20 2.276 -25.323 -24.599 1.00 71.23 H new ATOM 321 N SER A 21 -0.516 -23.167 -23.086 1.00 44.32 N ATOM 322 CA SER A 21 -1.085 -23.688 -21.849 1.00 3.01 C ATOM 323 C SER A 21 -2.245 -24.634 -22.141 1.00 71.41 C ATOM 324 O SER A 21 -3.355 -24.198 -22.445 1.00 13.25 O ATOM 325 CB SER A 21 -1.561 -22.539 -20.958 1.00 24.01 C ATOM 326 OG SER A 21 -0.560 -21.544 -20.831 1.00 41.20 O ATOM 0 H SER A 21 -1.066 -22.428 -23.525 1.00 44.32 H new ATOM 0 HA SER A 21 -0.307 -24.245 -21.327 1.00 3.01 H new ATOM 0 HB2 SER A 21 -2.465 -22.098 -21.379 1.00 24.01 H new ATOM 0 HB3 SER A 21 -1.823 -22.923 -19.972 1.00 24.01 H new ATOM 0 HG SER A 21 -0.248 -21.510 -19.903 1.00 41.20 H new ATOM 332 N SER A 22 -1.979 -25.933 -22.047 1.00 72.32 N ATOM 333 CA SER A 22 -2.999 -26.943 -22.305 1.00 12.01 C ATOM 334 C SER A 22 -3.262 -27.781 -21.057 1.00 64.03 C ATOM 335 O SER A 22 -4.401 -28.151 -20.773 1.00 65.51 O ATOM 336 CB SER A 22 -2.570 -27.849 -23.461 1.00 3.24 C ATOM 337 OG SER A 22 -2.749 -27.203 -24.709 1.00 10.41 O ATOM 0 H SER A 22 -1.066 -26.311 -21.794 1.00 72.32 H new ATOM 0 HA SER A 22 -3.921 -26.430 -22.578 1.00 12.01 H new ATOM 0 HB2 SER A 22 -1.523 -28.128 -23.339 1.00 3.24 H new ATOM 0 HB3 SER A 22 -3.150 -28.771 -23.439 1.00 3.24 H new ATOM 0 HG SER A 22 -2.466 -27.802 -25.431 1.00 10.41 H new ATOM 343 N SER A 23 -2.198 -28.076 -20.316 1.00 74.21 N ATOM 344 CA SER A 23 -2.312 -28.874 -19.101 1.00 3.24 C ATOM 345 C SER A 23 -3.131 -28.140 -18.044 1.00 12.34 C ATOM 346 O SER A 23 -3.737 -27.103 -18.319 1.00 20.41 O ATOM 347 CB SER A 23 -0.923 -29.201 -18.549 1.00 22.01 C ATOM 348 OG SER A 23 -0.140 -29.887 -19.511 1.00 53.41 O ATOM 0 H SER A 23 -1.249 -27.775 -20.536 1.00 74.21 H new ATOM 0 HA SER A 23 -2.824 -29.803 -19.352 1.00 3.24 H new ATOM 0 HB2 SER A 23 -0.419 -28.280 -18.255 1.00 22.01 H new ATOM 0 HB3 SER A 23 -1.020 -29.812 -17.652 1.00 22.01 H new ATOM 0 HG SER A 23 0.743 -30.083 -19.134 1.00 53.41 H new ATOM 354 N THR A 24 -3.146 -28.685 -16.831 1.00 42.21 N ATOM 355 CA THR A 24 -3.891 -28.084 -15.732 1.00 71.30 C ATOM 356 C THR A 24 -3.355 -26.697 -15.398 1.00 13.22 C ATOM 357 O THR A 24 -3.743 -26.096 -14.396 1.00 12.23 O ATOM 358 CB THR A 24 -3.833 -28.963 -14.468 1.00 14.30 C ATOM 359 OG1 THR A 24 -2.548 -28.846 -13.849 1.00 24.13 O ATOM 360 CG2 THR A 24 -4.108 -30.420 -14.809 1.00 4.35 C ATOM 0 H THR A 24 -2.650 -29.542 -16.585 1.00 42.21 H new ATOM 0 HA THR A 24 -4.927 -28.000 -16.060 1.00 71.30 H new ATOM 0 HB THR A 24 -4.601 -28.618 -13.776 1.00 14.30 H new ATOM 0 HG1 THR A 24 -2.520 -29.406 -13.045 1.00 24.13 H new ATOM 0 HG21 THR A 24 -4.062 -31.021 -13.901 1.00 4.35 H new ATOM 0 HG22 THR A 24 -5.100 -30.509 -15.253 1.00 4.35 H new ATOM 0 HG23 THR A 24 -3.360 -30.775 -15.518 1.00 4.35 H new ATOM 368 N TYR A 25 -2.463 -26.193 -16.243 1.00 22.21 N ATOM 369 CA TYR A 25 -1.872 -24.876 -16.036 1.00 34.22 C ATOM 370 C TYR A 25 -2.861 -23.937 -15.352 1.00 34.23 C ATOM 371 O TYR A 25 -2.526 -23.269 -14.373 1.00 35.20 O ATOM 372 CB TYR A 25 -1.425 -24.279 -17.371 1.00 50.00 C ATOM 373 CG TYR A 25 -1.349 -22.769 -17.364 1.00 5.14 C ATOM 374 CD1 TYR A 25 -2.499 -21.995 -17.452 1.00 34.24 C ATOM 375 CD2 TYR A 25 -0.126 -22.116 -17.270 1.00 2.13 C ATOM 376 CE1 TYR A 25 -2.434 -20.615 -17.446 1.00 35.21 C ATOM 377 CE2 TYR A 25 -0.052 -20.737 -17.262 1.00 5.52 C ATOM 378 CZ TYR A 25 -1.208 -19.991 -17.350 1.00 54.44 C ATOM 379 OH TYR A 25 -1.138 -18.616 -17.344 1.00 75.33 O ATOM 0 H TYR A 25 -2.133 -26.677 -17.078 1.00 22.21 H new ATOM 0 HA TYR A 25 -1.003 -24.993 -15.389 1.00 34.22 H new ATOM 0 HB2 TYR A 25 -0.446 -24.682 -17.630 1.00 50.00 H new ATOM 0 HB3 TYR A 25 -2.117 -24.596 -18.151 1.00 50.00 H new ATOM 0 HD1 TYR A 25 -3.461 -22.480 -17.526 1.00 34.24 H new ATOM 0 HD2 TYR A 25 0.782 -22.697 -17.202 1.00 2.13 H new ATOM 0 HE1 TYR A 25 -3.338 -20.028 -17.516 1.00 35.21 H new ATOM 0 HE2 TYR A 25 0.907 -20.245 -17.187 1.00 5.52 H new ATOM 0 HH TYR A 25 -0.782 -18.310 -16.484 1.00 75.33 H new ATOM 389 N CYS A 26 -4.082 -23.892 -15.874 1.00 74.20 N ATOM 390 CA CYS A 26 -5.122 -23.037 -15.316 1.00 14.51 C ATOM 391 C CYS A 26 -5.482 -23.471 -13.898 1.00 23.40 C ATOM 392 O CYS A 26 -5.382 -22.689 -12.954 1.00 13.01 O ATOM 393 CB CYS A 26 -6.369 -23.069 -16.202 1.00 41.13 C ATOM 394 SG CYS A 26 -6.345 -21.858 -17.563 1.00 60.34 S ATOM 0 H CYS A 26 -4.375 -24.439 -16.684 1.00 74.20 H new ATOM 0 HA CYS A 26 -4.737 -22.018 -15.279 1.00 14.51 H new ATOM 0 HB2 CYS A 26 -6.478 -24.069 -16.622 1.00 41.13 H new ATOM 0 HB3 CYS A 26 -7.247 -22.886 -15.582 1.00 41.13 H new ATOM 399 N ASN A 27 -5.900 -24.725 -13.758 1.00 25.34 N ATOM 400 CA ASN A 27 -6.274 -25.265 -12.455 1.00 51.24 C ATOM 401 C ASN A 27 -5.445 -24.628 -11.344 1.00 33.11 C ATOM 402 O ASN A 27 -5.989 -24.023 -10.421 1.00 11.14 O ATOM 403 CB ASN A 27 -6.091 -26.784 -12.438 1.00 3.35 C ATOM 404 CG ASN A 27 -6.286 -27.373 -11.054 1.00 72.42 C ATOM 405 OD1 ASN A 27 -6.519 -26.650 -10.086 1.00 15.40 O ATOM 406 ND2 ASN A 27 -6.191 -28.694 -10.955 1.00 72.34 N ATOM 0 H ASN A 27 -5.988 -25.386 -14.530 1.00 25.34 H new ATOM 0 HA ASN A 27 -7.324 -25.031 -12.280 1.00 51.24 H new ATOM 0 HB2 ASN A 27 -6.801 -27.241 -13.128 1.00 3.35 H new ATOM 0 HB3 ASN A 27 -5.092 -27.031 -12.798 1.00 3.35 H new ATOM 0 HD21 ASN A 27 -6.313 -29.148 -10.050 1.00 72.34 H new ATOM 0 HD22 ASN A 27 -5.996 -29.255 -11.784 1.00 72.34 H new ATOM 413 N GLN A 28 -4.127 -24.769 -11.441 1.00 73.21 N ATOM 414 CA GLN A 28 -3.224 -24.208 -10.444 1.00 1.31 C ATOM 415 C GLN A 28 -3.071 -22.702 -10.634 1.00 32.22 C ATOM 416 O GLN A 28 -3.347 -21.921 -9.724 1.00 32.11 O ATOM 417 CB GLN A 28 -1.855 -24.886 -10.526 1.00 10.50 C ATOM 418 CG GLN A 28 -1.817 -26.260 -9.879 1.00 31.53 C ATOM 419 CD GLN A 28 -0.536 -27.013 -10.181 1.00 52.22 C ATOM 420 OE1 GLN A 28 0.427 -26.955 -9.416 1.00 50.53 O ATOM 421 NE2 GLN A 28 -0.518 -27.725 -11.301 1.00 74.55 N ATOM 0 H GLN A 28 -3.661 -25.267 -12.200 1.00 73.21 H new ATOM 0 HA GLN A 28 -3.653 -24.390 -9.459 1.00 1.31 H new ATOM 0 HB2 GLN A 28 -1.567 -24.979 -11.573 1.00 10.50 H new ATOM 0 HB3 GLN A 28 -1.113 -24.247 -10.047 1.00 10.50 H new ATOM 0 HG2 GLN A 28 -1.924 -26.152 -8.800 1.00 31.53 H new ATOM 0 HG3 GLN A 28 -2.668 -26.845 -10.227 1.00 31.53 H new ATOM 0 HE21 GLN A 28 -1.339 -27.745 -11.906 1.00 74.55 H new ATOM 0 HE22 GLN A 28 0.317 -28.252 -11.557 1.00 74.55 H new ATOM 430 N MET A 29 -2.629 -22.303 -11.822 1.00 15.51 N ATOM 431 CA MET A 29 -2.441 -20.890 -12.131 1.00 0.21 C ATOM 432 C MET A 29 -3.458 -20.030 -11.387 1.00 22.13 C ATOM 433 O MET A 29 -3.091 -19.193 -10.563 1.00 14.23 O ATOM 434 CB MET A 29 -2.563 -20.655 -13.638 1.00 5.23 C ATOM 435 CG MET A 29 -1.294 -20.983 -14.408 1.00 71.43 C ATOM 436 SD MET A 29 -0.191 -19.566 -14.566 1.00 65.32 S ATOM 437 CE MET A 29 0.701 -19.657 -13.015 1.00 51.14 C ATOM 0 H MET A 29 -2.395 -22.937 -12.586 1.00 15.51 H new ATOM 0 HA MET A 29 -1.441 -20.603 -11.805 1.00 0.21 H new ATOM 0 HB2 MET A 29 -3.381 -21.261 -14.027 1.00 5.23 H new ATOM 0 HB3 MET A 29 -2.826 -19.612 -13.815 1.00 5.23 H new ATOM 0 HG2 MET A 29 -0.768 -21.794 -13.904 1.00 71.43 H new ATOM 0 HG3 MET A 29 -1.560 -21.344 -15.402 1.00 71.43 H new ATOM 0 HE1 MET A 29 1.722 -19.304 -13.161 1.00 51.14 H new ATOM 0 HE2 MET A 29 0.204 -19.033 -12.272 1.00 51.14 H new ATOM 0 HE3 MET A 29 0.721 -20.690 -12.667 1.00 51.14 H new ATOM 447 N MET A 30 -4.736 -20.243 -11.683 1.00 43.12 N ATOM 448 CA MET A 30 -5.805 -19.487 -11.041 1.00 21.32 C ATOM 449 C MET A 30 -5.678 -19.551 -9.522 1.00 15.50 C ATOM 450 O MET A 30 -5.881 -18.552 -8.831 1.00 3.11 O ATOM 451 CB MET A 30 -7.170 -20.026 -11.474 1.00 0.45 C ATOM 452 CG MET A 30 -7.812 -19.223 -12.594 1.00 33.44 C ATOM 453 SD MET A 30 -8.958 -17.972 -11.983 1.00 73.41 S ATOM 454 CE MET A 30 -7.844 -16.597 -11.710 1.00 51.13 C ATOM 0 H MET A 30 -5.056 -20.933 -12.363 1.00 43.12 H new ATOM 0 HA MET A 30 -5.719 -18.446 -11.352 1.00 21.32 H new ATOM 0 HB2 MET A 30 -7.057 -21.061 -11.798 1.00 0.45 H new ATOM 0 HB3 MET A 30 -7.839 -20.033 -10.613 1.00 0.45 H new ATOM 0 HG2 MET A 30 -7.032 -18.739 -13.182 1.00 33.44 H new ATOM 0 HG3 MET A 30 -8.342 -19.900 -13.263 1.00 33.44 H new ATOM 0 HE1 MET A 30 -7.735 -16.424 -10.639 1.00 51.13 H new ATOM 0 HE2 MET A 30 -6.870 -16.827 -12.141 1.00 51.13 H new ATOM 0 HE3 MET A 30 -8.248 -15.702 -12.183 1.00 51.13 H new ATOM 464 N ARG A 31 -5.343 -20.730 -9.009 1.00 54.11 N ATOM 465 CA ARG A 31 -5.192 -20.923 -7.572 1.00 1.20 C ATOM 466 C ARG A 31 -4.024 -20.102 -7.033 1.00 64.25 C ATOM 467 O ARG A 31 -4.179 -19.327 -6.090 1.00 34.33 O ATOM 468 CB ARG A 31 -4.978 -22.404 -7.254 1.00 41.15 C ATOM 469 CG ARG A 31 -4.547 -22.663 -5.820 1.00 74.30 C ATOM 470 CD ARG A 31 -3.341 -23.587 -5.759 1.00 33.42 C ATOM 471 NE ARG A 31 -3.064 -24.036 -4.397 1.00 73.40 N ATOM 472 CZ ARG A 31 -2.264 -25.056 -4.108 1.00 23.21 C ATOM 473 NH1 ARG A 31 -1.664 -25.729 -5.080 1.00 41.25 N ATOM 474 NH2 ARG A 31 -2.061 -25.405 -2.844 1.00 13.33 N ATOM 0 H ARG A 31 -5.171 -21.566 -9.567 1.00 54.11 H new ATOM 0 HA ARG A 31 -6.107 -20.583 -7.087 1.00 1.20 H new ATOM 0 HB2 ARG A 31 -5.903 -22.946 -7.450 1.00 41.15 H new ATOM 0 HB3 ARG A 31 -4.223 -22.807 -7.930 1.00 41.15 H new ATOM 0 HG2 ARG A 31 -4.307 -21.717 -5.335 1.00 74.30 H new ATOM 0 HG3 ARG A 31 -5.374 -23.105 -5.265 1.00 74.30 H new ATOM 0 HD2 ARG A 31 -3.515 -24.453 -6.398 1.00 33.42 H new ATOM 0 HD3 ARG A 31 -2.467 -23.069 -6.155 1.00 33.42 H new ATOM 0 HE ARG A 31 -3.509 -23.539 -3.626 1.00 73.40 H new ATOM 0 HH11 ARG A 31 -1.816 -25.464 -6.053 1.00 41.25 H new ATOM 0 HH12 ARG A 31 -1.050 -26.512 -4.855 1.00 41.25 H new ATOM 0 HH21 ARG A 31 -2.520 -24.890 -2.093 1.00 13.33 H new ATOM 0 HH22 ARG A 31 -1.446 -26.189 -2.624 1.00 13.33 H new ATOM 488 N ARG A 32 -2.854 -20.279 -7.640 1.00 11.24 N ATOM 489 CA ARG A 32 -1.659 -19.556 -7.220 1.00 33.30 C ATOM 490 C ARG A 32 -1.963 -18.074 -7.019 1.00 65.43 C ATOM 491 O ARG A 32 -1.284 -17.390 -6.254 1.00 2.14 O ATOM 492 CB ARG A 32 -0.546 -19.724 -8.255 1.00 62.44 C ATOM 493 CG ARG A 32 0.797 -20.100 -7.650 1.00 71.23 C ATOM 494 CD ARG A 32 1.666 -18.874 -7.417 1.00 74.01 C ATOM 495 NE ARG A 32 2.735 -19.135 -6.457 1.00 70.45 N ATOM 496 CZ ARG A 32 3.342 -18.184 -5.756 1.00 71.34 C ATOM 497 NH1 ARG A 32 2.986 -16.916 -5.907 1.00 2.11 N ATOM 498 NH2 ARG A 32 4.307 -18.501 -4.902 1.00 74.22 N ATOM 0 H ARG A 32 -2.709 -20.916 -8.423 1.00 11.24 H new ATOM 0 HA ARG A 32 -1.327 -19.973 -6.269 1.00 33.30 H new ATOM 0 HB2 ARG A 32 -0.840 -20.492 -8.971 1.00 62.44 H new ATOM 0 HB3 ARG A 32 -0.436 -18.794 -8.812 1.00 62.44 H new ATOM 0 HG2 ARG A 32 0.639 -20.620 -6.705 1.00 71.23 H new ATOM 0 HG3 ARG A 32 1.315 -20.793 -8.313 1.00 71.23 H new ATOM 0 HD2 ARG A 32 2.100 -18.552 -8.364 1.00 74.01 H new ATOM 0 HD3 ARG A 32 1.046 -18.054 -7.055 1.00 74.01 H new ATOM 0 HE ARG A 32 3.032 -20.101 -6.317 1.00 70.45 H new ATOM 0 HH11 ARG A 32 2.245 -16.669 -6.563 1.00 2.11 H new ATOM 0 HH12 ARG A 32 3.453 -16.187 -5.368 1.00 2.11 H new ATOM 0 HH21 ARG A 32 4.583 -19.476 -4.783 1.00 74.22 H new ATOM 0 HH22 ARG A 32 4.773 -17.770 -4.364 1.00 74.22 H new ATOM 512 N ARG A 33 -2.986 -17.586 -7.713 1.00 4.12 N ATOM 513 CA ARG A 33 -3.378 -16.185 -7.612 1.00 65.21 C ATOM 514 C ARG A 33 -4.235 -15.948 -6.372 1.00 62.32 C ATOM 515 O ARG A 33 -4.904 -14.923 -6.255 1.00 75.04 O ATOM 516 CB ARG A 33 -4.144 -15.757 -8.865 1.00 11.33 C ATOM 517 CG ARG A 33 -3.380 -15.995 -10.157 1.00 55.42 C ATOM 518 CD ARG A 33 -2.130 -15.133 -10.232 1.00 40.42 C ATOM 519 NE ARG A 33 -1.220 -15.579 -11.283 1.00 63.03 N ATOM 520 CZ ARG A 33 -0.130 -14.911 -11.645 1.00 11.44 C ATOM 521 NH1 ARG A 33 0.183 -13.772 -11.042 1.00 44.12 N ATOM 522 NH2 ARG A 33 0.649 -15.381 -12.610 1.00 71.52 N ATOM 0 H ARG A 33 -3.558 -18.139 -8.351 1.00 4.12 H new ATOM 0 HA ARG A 33 -2.472 -15.585 -7.526 1.00 65.21 H new ATOM 0 HB2 ARG A 33 -5.088 -16.300 -8.906 1.00 11.33 H new ATOM 0 HB3 ARG A 33 -4.388 -14.698 -8.787 1.00 11.33 H new ATOM 0 HG2 ARG A 33 -3.103 -17.047 -10.229 1.00 55.42 H new ATOM 0 HG3 ARG A 33 -4.025 -15.777 -11.008 1.00 55.42 H new ATOM 0 HD2 ARG A 33 -2.415 -14.097 -10.415 1.00 40.42 H new ATOM 0 HD3 ARG A 33 -1.615 -15.157 -9.272 1.00 40.42 H new ATOM 0 HE ARG A 33 -1.433 -16.452 -11.766 1.00 63.03 H new ATOM 0 HH11 ARG A 33 -0.413 -13.408 -10.299 1.00 44.12 H new ATOM 0 HH12 ARG A 33 1.020 -13.260 -11.321 1.00 44.12 H new ATOM 0 HH21 ARG A 33 0.412 -16.257 -13.076 1.00 71.52 H new ATOM 0 HH22 ARG A 33 1.485 -14.867 -12.886 1.00 71.52 H new ATOM 536 N ASN A 34 -4.209 -16.905 -5.449 1.00 45.55 N ATOM 537 CA ASN A 34 -4.984 -16.801 -4.219 1.00 12.52 C ATOM 538 C ASN A 34 -6.447 -16.491 -4.522 1.00 40.02 C ATOM 539 O ASN A 34 -7.074 -15.680 -3.842 1.00 12.13 O ATOM 540 CB ASN A 34 -4.399 -15.715 -3.313 1.00 21.43 C ATOM 541 CG ASN A 34 -2.972 -16.017 -2.897 1.00 41.32 C ATOM 542 OD1 ASN A 34 -2.716 -16.969 -2.160 1.00 13.44 O ATOM 543 ND2 ASN A 34 -2.034 -15.204 -3.370 1.00 71.22 N ATOM 0 H ASN A 34 -3.660 -17.761 -5.530 1.00 45.55 H new ATOM 0 HA ASN A 34 -4.933 -17.761 -3.705 1.00 12.52 H new ATOM 0 HB2 ASN A 34 -4.428 -14.757 -3.833 1.00 21.43 H new ATOM 0 HB3 ASN A 34 -5.020 -15.614 -2.423 1.00 21.43 H new ATOM 0 HD21 ASN A 34 -1.056 -15.357 -3.125 1.00 71.22 H new ATOM 0 HD22 ASN A 34 -2.292 -14.427 -3.978 1.00 71.22 H new ATOM 550 N MET A 35 -6.984 -17.143 -5.548 1.00 63.51 N ATOM 551 CA MET A 35 -8.373 -16.939 -5.940 1.00 73.34 C ATOM 552 C MET A 35 -9.198 -18.199 -5.696 1.00 61.24 C ATOM 553 O MET A 35 -10.399 -18.230 -5.968 1.00 22.45 O ATOM 554 CB MET A 35 -8.456 -16.539 -7.415 1.00 22.32 C ATOM 555 CG MET A 35 -9.876 -16.296 -7.900 1.00 23.11 C ATOM 556 SD MET A 35 -10.788 -15.160 -6.838 1.00 5.51 S ATOM 557 CE MET A 35 -11.398 -13.985 -8.044 1.00 74.03 C ATOM 0 H MET A 35 -6.478 -17.817 -6.123 1.00 63.51 H new ATOM 0 HA MET A 35 -8.782 -16.134 -5.329 1.00 73.34 H new ATOM 0 HB2 MET A 35 -7.868 -15.635 -7.571 1.00 22.32 H new ATOM 0 HB3 MET A 35 -8.003 -17.323 -8.022 1.00 22.32 H new ATOM 0 HG2 MET A 35 -9.846 -15.895 -8.913 1.00 23.11 H new ATOM 0 HG3 MET A 35 -10.407 -17.247 -7.949 1.00 23.11 H new ATOM 0 HE1 MET A 35 -10.870 -13.038 -7.929 1.00 74.03 H new ATOM 0 HE2 MET A 35 -11.231 -14.374 -9.048 1.00 74.03 H new ATOM 0 HE3 MET A 35 -12.465 -13.826 -7.890 1.00 74.03 H new ATOM 567 N THR A 36 -8.546 -19.238 -5.183 1.00 42.20 N ATOM 568 CA THR A 36 -9.218 -20.500 -4.904 1.00 72.42 C ATOM 569 C THR A 36 -9.322 -20.749 -3.404 1.00 3.43 C ATOM 570 O THR A 36 -9.551 -21.876 -2.967 1.00 13.01 O ATOM 571 CB THR A 36 -8.483 -21.685 -5.559 1.00 53.05 C ATOM 572 OG1 THR A 36 -7.123 -21.725 -5.113 1.00 73.12 O ATOM 573 CG2 THR A 36 -8.522 -21.573 -7.076 1.00 63.41 C ATOM 0 H THR A 36 -7.552 -19.230 -4.952 1.00 42.20 H new ATOM 0 HA THR A 36 -10.220 -20.424 -5.327 1.00 72.42 H new ATOM 0 HB THR A 36 -8.988 -22.605 -5.265 1.00 53.05 H new ATOM 0 HG1 THR A 36 -7.082 -22.138 -4.225 1.00 73.12 H new ATOM 0 HG21 THR A 36 -7.997 -22.420 -7.517 1.00 63.41 H new ATOM 0 HG22 THR A 36 -9.558 -21.572 -7.414 1.00 63.41 H new ATOM 0 HG23 THR A 36 -8.039 -20.646 -7.385 1.00 63.41 H new ATOM 581 N GLN A 37 -9.151 -19.689 -2.620 1.00 55.41 N ATOM 582 CA GLN A 37 -9.226 -19.793 -1.168 1.00 20.13 C ATOM 583 C GLN A 37 -10.671 -19.700 -0.689 1.00 20.43 C ATOM 584 O GLN A 37 -11.355 -18.708 -0.935 1.00 5.54 O ATOM 585 CB GLN A 37 -8.388 -18.694 -0.513 1.00 25.25 C ATOM 586 CG GLN A 37 -6.894 -18.979 -0.526 1.00 13.24 C ATOM 587 CD GLN A 37 -6.080 -17.851 0.078 1.00 60.52 C ATOM 588 OE1 GLN A 37 -6.539 -16.711 0.156 1.00 61.52 O ATOM 589 NE2 GLN A 37 -4.864 -18.164 0.509 1.00 23.52 N ATOM 0 H GLN A 37 -8.960 -18.749 -2.966 1.00 55.41 H new ATOM 0 HA GLN A 37 -8.828 -20.765 -0.878 1.00 20.13 H new ATOM 0 HB2 GLN A 37 -8.574 -17.751 -1.027 1.00 25.25 H new ATOM 0 HB3 GLN A 37 -8.716 -18.564 0.518 1.00 25.25 H new ATOM 0 HG2 GLN A 37 -6.699 -19.899 0.025 1.00 13.24 H new ATOM 0 HG3 GLN A 37 -6.569 -19.147 -1.553 1.00 13.24 H new ATOM 0 HE21 GLN A 37 -4.524 -19.122 0.425 1.00 23.52 H new ATOM 0 HE22 GLN A 37 -4.270 -17.447 0.925 1.00 23.52 H new ATOM 598 N GLY A 38 -11.130 -20.743 -0.003 1.00 72.01 N ATOM 599 CA GLY A 38 -12.492 -20.759 0.499 1.00 23.11 C ATOM 600 C GLY A 38 -13.462 -21.398 -0.475 1.00 44.53 C ATOM 601 O GLY A 38 -14.292 -22.219 -0.087 1.00 24.54 O ATOM 0 H GLY A 38 -10.583 -21.576 0.214 1.00 72.01 H new ATOM 0 HA2 GLY A 38 -12.521 -21.301 1.444 1.00 23.11 H new ATOM 0 HA3 GLY A 38 -12.811 -19.738 0.707 1.00 23.11 H new ATOM 605 N ARG A 39 -13.358 -21.018 -1.745 1.00 14.13 N ATOM 606 CA ARG A 39 -14.236 -21.557 -2.777 1.00 45.00 C ATOM 607 C ARG A 39 -13.488 -21.714 -4.098 1.00 21.41 C ATOM 608 O ARG A 39 -12.432 -21.115 -4.301 1.00 44.11 O ATOM 609 CB ARG A 39 -15.450 -20.647 -2.971 1.00 45.42 C ATOM 610 CG ARG A 39 -15.951 -20.017 -1.682 1.00 33.32 C ATOM 611 CD ARG A 39 -16.730 -18.739 -1.952 1.00 32.51 C ATOM 612 NE ARG A 39 -15.848 -17.595 -2.164 1.00 21.11 N ATOM 613 CZ ARG A 39 -15.310 -16.888 -1.176 1.00 35.53 C ATOM 614 NH1 ARG A 39 -15.564 -17.208 0.086 1.00 40.41 N ATOM 615 NH2 ARG A 39 -14.517 -15.860 -1.449 1.00 32.52 N ATOM 0 H ARG A 39 -12.675 -20.340 -2.083 1.00 14.13 H new ATOM 0 HA ARG A 39 -14.577 -22.540 -2.452 1.00 45.00 H new ATOM 0 HB2 ARG A 39 -15.192 -19.856 -3.675 1.00 45.42 H new ATOM 0 HB3 ARG A 39 -16.258 -21.224 -3.421 1.00 45.42 H new ATOM 0 HG2 ARG A 39 -16.586 -20.727 -1.152 1.00 33.32 H new ATOM 0 HG3 ARG A 39 -15.105 -19.798 -1.030 1.00 33.32 H new ATOM 0 HD2 ARG A 39 -17.361 -18.878 -2.830 1.00 32.51 H new ATOM 0 HD3 ARG A 39 -17.393 -18.534 -1.112 1.00 32.51 H new ATOM 0 HE ARG A 39 -15.633 -17.324 -3.123 1.00 21.11 H new ATOM 0 HH11 ARG A 39 -16.173 -17.998 0.299 1.00 40.41 H new ATOM 0 HH12 ARG A 39 -15.150 -16.664 0.843 1.00 40.41 H new ATOM 0 HH21 ARG A 39 -14.320 -15.611 -2.418 1.00 32.52 H new ATOM 0 HH22 ARG A 39 -14.105 -15.318 -0.690 1.00 32.52 H new ATOM 629 N CYS A 40 -14.043 -22.525 -4.993 1.00 3.12 N ATOM 630 CA CYS A 40 -13.429 -22.763 -6.294 1.00 13.22 C ATOM 631 C CYS A 40 -14.176 -22.013 -7.393 1.00 14.42 C ATOM 632 O CYS A 40 -15.345 -22.288 -7.664 1.00 73.00 O ATOM 633 CB CYS A 40 -13.410 -24.260 -6.606 1.00 31.52 C ATOM 634 SG CYS A 40 -11.880 -25.107 -6.096 1.00 2.25 S ATOM 0 H CYS A 40 -14.917 -23.028 -4.841 1.00 3.12 H new ATOM 0 HA CYS A 40 -12.404 -22.393 -6.257 1.00 13.22 H new ATOM 0 HB2 CYS A 40 -14.257 -24.734 -6.111 1.00 31.52 H new ATOM 0 HB3 CYS A 40 -13.549 -24.399 -7.678 1.00 31.52 H new ATOM 639 N LYS A 41 -13.493 -21.063 -8.023 1.00 31.02 N ATOM 640 CA LYS A 41 -14.089 -20.273 -9.094 1.00 34.15 C ATOM 641 C LYS A 41 -14.710 -21.176 -10.155 1.00 44.01 C ATOM 642 O LYS A 41 -14.115 -22.163 -10.589 1.00 74.10 O ATOM 643 CB LYS A 41 -13.036 -19.365 -9.733 1.00 31.42 C ATOM 644 CG LYS A 41 -13.620 -18.131 -10.398 1.00 60.22 C ATOM 645 CD LYS A 41 -14.231 -17.184 -9.379 1.00 25.22 C ATOM 646 CE LYS A 41 -13.201 -16.726 -8.357 1.00 32.10 C ATOM 647 NZ LYS A 41 -13.451 -17.320 -7.014 1.00 45.42 N ATOM 0 H LYS A 41 -12.525 -20.821 -7.810 1.00 31.02 H new ATOM 0 HA LYS A 41 -14.877 -19.656 -8.662 1.00 34.15 H new ATOM 0 HB2 LYS A 41 -12.325 -19.053 -8.968 1.00 31.42 H new ATOM 0 HB3 LYS A 41 -12.477 -19.937 -10.474 1.00 31.42 H new ATOM 0 HG2 LYS A 41 -12.839 -17.613 -10.955 1.00 60.22 H new ATOM 0 HG3 LYS A 41 -14.380 -18.431 -11.119 1.00 60.22 H new ATOM 0 HD2 LYS A 41 -14.648 -16.317 -9.891 1.00 25.22 H new ATOM 0 HD3 LYS A 41 -15.056 -17.680 -8.868 1.00 25.22 H new ATOM 0 HE2 LYS A 41 -12.203 -17.004 -8.697 1.00 32.10 H new ATOM 0 HE3 LYS A 41 -13.221 -15.639 -8.283 1.00 32.10 H new ATOM 0 HZ1 LYS A 41 -12.759 -16.945 -6.334 1.00 45.42 H new ATOM 0 HZ2 LYS A 41 -14.412 -17.077 -6.700 1.00 45.42 H new ATOM 0 HZ3 LYS A 41 -13.356 -18.354 -7.069 1.00 45.42 H new ATOM 661 N PRO A 42 -15.932 -20.831 -10.585 1.00 73.35 N ATOM 662 CA PRO A 42 -16.658 -21.597 -11.603 1.00 52.23 C ATOM 663 C PRO A 42 -16.028 -21.467 -12.986 1.00 1.34 C ATOM 664 O PRO A 42 -15.982 -22.430 -13.751 1.00 42.21 O ATOM 665 CB PRO A 42 -18.054 -20.969 -11.591 1.00 11.11 C ATOM 666 CG PRO A 42 -17.842 -19.583 -11.087 1.00 64.02 C ATOM 667 CD PRO A 42 -16.700 -19.667 -10.112 1.00 70.31 C ATOM 0 HA PRO A 42 -16.654 -22.666 -11.388 1.00 52.23 H new ATOM 0 HB2 PRO A 42 -18.495 -20.965 -12.588 1.00 11.11 H new ATOM 0 HB3 PRO A 42 -18.733 -21.526 -10.945 1.00 11.11 H new ATOM 0 HG2 PRO A 42 -17.607 -18.902 -11.905 1.00 64.02 H new ATOM 0 HG3 PRO A 42 -18.741 -19.202 -10.603 1.00 64.02 H new ATOM 0 HD2 PRO A 42 -16.098 -18.758 -10.119 1.00 70.31 H new ATOM 0 HD3 PRO A 42 -17.053 -19.807 -9.090 1.00 70.31 H new ATOM 675 N VAL A 43 -15.543 -20.270 -13.299 1.00 45.35 N ATOM 676 CA VAL A 43 -14.913 -20.014 -14.590 1.00 30.25 C ATOM 677 C VAL A 43 -13.996 -18.798 -14.522 1.00 64.42 C ATOM 678 O VAL A 43 -14.073 -18.000 -13.589 1.00 75.52 O ATOM 679 CB VAL A 43 -15.964 -19.790 -15.692 1.00 54.35 C ATOM 680 CG1 VAL A 43 -15.303 -19.751 -17.061 1.00 64.35 C ATOM 681 CG2 VAL A 43 -17.033 -20.871 -15.638 1.00 23.43 C ATOM 0 H VAL A 43 -15.574 -19.462 -12.677 1.00 45.35 H new ATOM 0 HA VAL A 43 -14.323 -20.897 -14.835 1.00 30.25 H new ATOM 0 HB VAL A 43 -16.445 -18.827 -15.520 1.00 54.35 H new ATOM 0 HG11 VAL A 43 -16.062 -19.592 -17.827 1.00 64.35 H new ATOM 0 HG12 VAL A 43 -14.579 -18.937 -17.093 1.00 64.35 H new ATOM 0 HG13 VAL A 43 -14.793 -20.697 -17.246 1.00 64.35 H new ATOM 0 HG21 VAL A 43 -17.767 -20.696 -16.424 1.00 23.43 H new ATOM 0 HG22 VAL A 43 -16.571 -21.847 -15.784 1.00 23.43 H new ATOM 0 HG23 VAL A 43 -17.528 -20.845 -14.667 1.00 23.43 H new ATOM 691 N ASN A 44 -13.127 -18.664 -15.519 1.00 4.22 N ATOM 692 CA ASN A 44 -12.193 -17.545 -15.573 1.00 11.41 C ATOM 693 C ASN A 44 -11.529 -17.456 -16.943 1.00 64.24 C ATOM 694 O ASN A 44 -11.743 -18.309 -17.806 1.00 44.43 O ATOM 695 CB ASN A 44 -11.127 -17.690 -14.485 1.00 42.22 C ATOM 696 CG ASN A 44 -10.871 -16.389 -13.749 1.00 12.11 C ATOM 697 OD1 ASN A 44 -11.602 -16.032 -12.825 1.00 11.21 O ATOM 698 ND2 ASN A 44 -9.829 -15.673 -14.157 1.00 35.35 N ATOM 0 H ASN A 44 -13.050 -19.316 -16.300 1.00 4.22 H new ATOM 0 HA ASN A 44 -12.755 -16.627 -15.401 1.00 11.41 H new ATOM 0 HB2 ASN A 44 -11.441 -18.452 -13.772 1.00 42.22 H new ATOM 0 HB3 ASN A 44 -10.197 -18.039 -14.935 1.00 42.22 H new ATOM 0 HD21 ASN A 44 -9.608 -14.788 -13.700 1.00 35.35 H new ATOM 0 HD22 ASN A 44 -9.250 -16.008 -14.927 1.00 35.35 H new ATOM 705 N THR A 45 -10.720 -16.419 -17.137 1.00 52.24 N ATOM 706 CA THR A 45 -10.025 -16.218 -18.402 1.00 44.13 C ATOM 707 C THR A 45 -8.741 -15.421 -18.203 1.00 44.11 C ATOM 708 O THR A 45 -8.767 -14.297 -17.701 1.00 31.11 O ATOM 709 CB THR A 45 -10.916 -15.487 -19.424 1.00 11.44 C ATOM 710 OG1 THR A 45 -12.224 -16.070 -19.438 1.00 41.44 O ATOM 711 CG2 THR A 45 -10.310 -15.554 -20.817 1.00 43.41 C ATOM 0 H THR A 45 -10.530 -15.705 -16.434 1.00 52.24 H new ATOM 0 HA THR A 45 -9.780 -17.208 -18.788 1.00 44.13 H new ATOM 0 HB THR A 45 -10.988 -14.441 -19.127 1.00 11.44 H new ATOM 0 HG1 THR A 45 -12.785 -15.599 -20.089 1.00 41.44 H new ATOM 0 HG21 THR A 45 -10.957 -15.031 -21.521 1.00 43.41 H new ATOM 0 HG22 THR A 45 -9.327 -15.083 -20.809 1.00 43.41 H new ATOM 0 HG23 THR A 45 -10.211 -16.596 -21.121 1.00 43.41 H new ATOM 719 N PHE A 46 -7.617 -16.009 -18.600 1.00 50.14 N ATOM 720 CA PHE A 46 -6.322 -15.353 -18.465 1.00 43.02 C ATOM 721 C PHE A 46 -5.984 -14.552 -19.720 1.00 22.55 C ATOM 722 O PHE A 46 -6.758 -14.520 -20.676 1.00 63.34 O ATOM 723 CB PHE A 46 -5.227 -16.388 -18.197 1.00 75.31 C ATOM 724 CG PHE A 46 -4.902 -16.553 -16.740 1.00 74.40 C ATOM 725 CD1 PHE A 46 -5.834 -16.227 -15.768 1.00 21.45 C ATOM 726 CD2 PHE A 46 -3.665 -17.034 -16.343 1.00 31.22 C ATOM 727 CE1 PHE A 46 -5.538 -16.378 -14.426 1.00 32.52 C ATOM 728 CE2 PHE A 46 -3.364 -17.188 -15.003 1.00 1.22 C ATOM 729 CZ PHE A 46 -4.301 -16.858 -14.043 1.00 70.30 C ATOM 0 H PHE A 46 -7.577 -16.939 -19.018 1.00 50.14 H new ATOM 0 HA PHE A 46 -6.378 -14.666 -17.621 1.00 43.02 H new ATOM 0 HB2 PHE A 46 -5.540 -17.350 -18.602 1.00 75.31 H new ATOM 0 HB3 PHE A 46 -4.323 -16.096 -18.732 1.00 75.31 H new ATOM 0 HD1 PHE A 46 -6.803 -15.851 -16.062 1.00 21.45 H new ATOM 0 HD2 PHE A 46 -2.928 -17.291 -17.089 1.00 31.22 H new ATOM 0 HE1 PHE A 46 -6.273 -16.121 -13.678 1.00 32.52 H new ATOM 0 HE2 PHE A 46 -2.397 -17.566 -14.706 1.00 1.22 H new ATOM 0 HZ PHE A 46 -4.067 -16.975 -12.995 1.00 70.30 H new ATOM 739 N VAL A 47 -4.822 -13.906 -19.707 1.00 31.40 N ATOM 740 CA VAL A 47 -4.380 -13.106 -20.843 1.00 31.13 C ATOM 741 C VAL A 47 -2.879 -13.249 -21.065 1.00 4.04 C ATOM 742 O VAL A 47 -2.101 -13.298 -20.111 1.00 0.21 O ATOM 743 CB VAL A 47 -4.719 -11.617 -20.646 1.00 14.44 C ATOM 744 CG1 VAL A 47 -4.215 -10.794 -21.822 1.00 14.15 C ATOM 745 CG2 VAL A 47 -6.218 -11.432 -20.458 1.00 63.25 C ATOM 0 H VAL A 47 -4.170 -13.921 -18.923 1.00 31.40 H new ATOM 0 HA VAL A 47 -4.911 -13.479 -21.719 1.00 31.13 H new ATOM 0 HB VAL A 47 -4.217 -11.264 -19.745 1.00 14.44 H new ATOM 0 HG11 VAL A 47 -4.464 -9.744 -21.665 1.00 14.15 H new ATOM 0 HG12 VAL A 47 -3.134 -10.902 -21.905 1.00 14.15 H new ATOM 0 HG13 VAL A 47 -4.686 -11.145 -22.740 1.00 14.15 H new ATOM 0 HG21 VAL A 47 -6.440 -10.374 -20.320 1.00 63.25 H new ATOM 0 HG22 VAL A 47 -6.743 -11.801 -21.339 1.00 63.25 H new ATOM 0 HG23 VAL A 47 -6.546 -11.989 -19.580 1.00 63.25 H new ATOM 755 N HIS A 48 -2.477 -13.315 -22.330 1.00 25.21 N ATOM 756 CA HIS A 48 -1.067 -13.451 -22.678 1.00 24.41 C ATOM 757 C HIS A 48 -0.551 -12.189 -23.362 1.00 54.22 C ATOM 758 O HIS A 48 0.488 -12.209 -24.020 1.00 70.24 O ATOM 759 CB HIS A 48 -0.859 -14.661 -23.590 1.00 53.22 C ATOM 760 CG HIS A 48 -0.846 -15.968 -22.859 1.00 14.43 C ATOM 761 ND1 HIS A 48 0.175 -16.347 -22.014 1.00 21.13 N ATOM 762 CD2 HIS A 48 -1.739 -16.985 -22.848 1.00 31.11 C ATOM 763 CE1 HIS A 48 -0.089 -17.542 -21.516 1.00 61.13 C ATOM 764 NE2 HIS A 48 -1.245 -17.951 -22.006 1.00 72.34 N ATOM 0 H HIS A 48 -3.107 -13.277 -23.131 1.00 25.21 H new ATOM 0 HA HIS A 48 -0.504 -13.599 -21.756 1.00 24.41 H new ATOM 0 HB2 HIS A 48 -1.651 -14.681 -24.339 1.00 53.22 H new ATOM 0 HB3 HIS A 48 0.083 -14.544 -24.125 1.00 53.22 H new ATOM 0 HD2 HIS A 48 -2.667 -17.029 -23.399 1.00 31.11 H new ATOM 0 HE1 HIS A 48 0.534 -18.091 -20.826 1.00 61.13 H new ATOM 0 HE2 HIS A 48 -1.698 -18.840 -21.794 1.00 72.34 H new ATOM 772 N GLU A 49 -1.286 -11.093 -23.202 1.00 55.31 N ATOM 773 CA GLU A 49 -0.904 -9.822 -23.806 1.00 64.14 C ATOM 774 C GLU A 49 -0.497 -8.812 -22.737 1.00 54.34 C ATOM 775 O GLU A 49 -0.980 -8.840 -21.605 1.00 61.20 O ATOM 776 CB GLU A 49 -2.056 -9.261 -24.642 1.00 33.41 C ATOM 777 CG GLU A 49 -1.763 -9.218 -26.132 1.00 42.51 C ATOM 778 CD GLU A 49 -0.886 -10.368 -26.588 1.00 40.41 C ATOM 779 OE1 GLU A 49 -1.437 -11.433 -26.935 1.00 62.01 O ATOM 780 OE2 GLU A 49 0.352 -10.201 -26.598 1.00 32.30 O ATOM 0 H GLU A 49 -2.149 -11.060 -22.659 1.00 55.31 H new ATOM 0 HA GLU A 49 -0.048 -10.002 -24.456 1.00 64.14 H new ATOM 0 HB2 GLU A 49 -2.946 -9.868 -24.473 1.00 33.41 H new ATOM 0 HB3 GLU A 49 -2.287 -8.253 -24.297 1.00 33.41 H new ATOM 0 HG2 GLU A 49 -2.703 -9.242 -26.684 1.00 42.51 H new ATOM 0 HG3 GLU A 49 -1.274 -8.275 -26.375 1.00 42.51 H new ATOM 787 N PRO A 50 0.412 -7.897 -23.104 1.00 2.41 N ATOM 788 CA PRO A 50 0.904 -6.860 -22.192 1.00 1.13 C ATOM 789 C PRO A 50 -0.161 -5.816 -21.872 1.00 23.42 C ATOM 790 O PRO A 50 -0.842 -5.315 -22.767 1.00 41.12 O ATOM 791 CB PRO A 50 2.060 -6.224 -22.968 1.00 0.12 C ATOM 792 CG PRO A 50 1.740 -6.478 -24.400 1.00 55.14 C ATOM 793 CD PRO A 50 1.030 -7.803 -24.437 1.00 61.23 C ATOM 0 HA PRO A 50 1.197 -7.272 -21.226 1.00 1.13 H new ATOM 0 HB2 PRO A 50 2.135 -5.156 -22.762 1.00 0.12 H new ATOM 0 HB3 PRO A 50 3.015 -6.670 -22.691 1.00 0.12 H new ATOM 0 HG2 PRO A 50 1.110 -5.686 -24.805 1.00 55.14 H new ATOM 0 HG3 PRO A 50 2.647 -6.504 -25.004 1.00 55.14 H new ATOM 0 HD2 PRO A 50 0.282 -7.836 -25.230 1.00 61.23 H new ATOM 0 HD3 PRO A 50 1.723 -8.625 -24.618 1.00 61.23 H new ATOM 801 N LEU A 51 -0.299 -5.493 -20.591 1.00 14.11 N ATOM 802 CA LEU A 51 -1.282 -4.508 -20.153 1.00 2.44 C ATOM 803 C LEU A 51 -1.360 -3.342 -21.134 1.00 25.42 C ATOM 804 O LEU A 51 -2.406 -3.088 -21.730 1.00 61.14 O ATOM 805 CB LEU A 51 -0.928 -3.991 -18.757 1.00 23.21 C ATOM 806 CG LEU A 51 -1.935 -3.032 -18.121 1.00 25.34 C ATOM 807 CD1 LEU A 51 -3.052 -3.807 -17.439 1.00 1.30 C ATOM 808 CD2 LEU A 51 -1.240 -2.111 -17.129 1.00 1.42 C ATOM 0 H LEU A 51 0.257 -5.898 -19.838 1.00 14.11 H new ATOM 0 HA LEU A 51 -2.256 -4.995 -20.118 1.00 2.44 H new ATOM 0 HB2 LEU A 51 -0.804 -4.848 -18.095 1.00 23.21 H new ATOM 0 HB3 LEU A 51 0.038 -3.488 -18.812 1.00 23.21 H new ATOM 0 HG LEU A 51 -2.374 -2.420 -18.909 1.00 25.34 H new ATOM 0 HD11 LEU A 51 -3.759 -3.108 -16.992 1.00 1.30 H new ATOM 0 HD12 LEU A 51 -3.568 -4.425 -18.174 1.00 1.30 H new ATOM 0 HD13 LEU A 51 -2.631 -4.444 -16.661 1.00 1.30 H new ATOM 0 HD21 LEU A 51 -1.971 -1.435 -16.686 1.00 1.42 H new ATOM 0 HD22 LEU A 51 -0.774 -2.707 -16.344 1.00 1.42 H new ATOM 0 HD23 LEU A 51 -0.476 -1.530 -17.646 1.00 1.42 H new ATOM 820 N VAL A 52 -0.244 -2.638 -21.298 1.00 31.11 N ATOM 821 CA VAL A 52 -0.185 -1.502 -22.209 1.00 44.34 C ATOM 822 C VAL A 52 -1.107 -1.708 -23.406 1.00 3.02 C ATOM 823 O VAL A 52 -1.730 -0.764 -23.892 1.00 32.31 O ATOM 824 CB VAL A 52 1.250 -1.263 -22.716 1.00 62.21 C ATOM 825 CG1 VAL A 52 1.630 -2.307 -23.755 1.00 62.30 C ATOM 826 CG2 VAL A 52 1.388 0.141 -23.285 1.00 15.14 C ATOM 0 H VAL A 52 0.631 -2.835 -20.812 1.00 31.11 H new ATOM 0 HA VAL A 52 -0.514 -0.628 -21.647 1.00 44.34 H new ATOM 0 HB VAL A 52 1.934 -1.357 -21.873 1.00 62.21 H new ATOM 0 HG11 VAL A 52 2.647 -2.122 -24.102 1.00 62.30 H new ATOM 0 HG12 VAL A 52 1.573 -3.300 -23.310 1.00 62.30 H new ATOM 0 HG13 VAL A 52 0.943 -2.248 -24.599 1.00 62.30 H new ATOM 0 HG21 VAL A 52 2.408 0.292 -23.638 1.00 15.14 H new ATOM 0 HG22 VAL A 52 0.694 0.267 -24.116 1.00 15.14 H new ATOM 0 HG23 VAL A 52 1.161 0.872 -22.509 1.00 15.14 H new ATOM 836 N ASP A 53 -1.189 -2.948 -23.875 1.00 43.25 N ATOM 837 CA ASP A 53 -2.036 -3.279 -25.015 1.00 34.31 C ATOM 838 C ASP A 53 -3.508 -3.059 -24.680 1.00 32.24 C ATOM 839 O ASP A 53 -4.155 -2.168 -25.231 1.00 21.42 O ATOM 840 CB ASP A 53 -1.809 -4.730 -25.442 1.00 32.32 C ATOM 841 CG ASP A 53 -2.106 -4.955 -26.911 1.00 41.35 C ATOM 842 OD1 ASP A 53 -2.276 -3.956 -27.641 1.00 42.12 O ATOM 843 OD2 ASP A 53 -2.169 -6.129 -27.332 1.00 30.21 O ATOM 0 H ASP A 53 -0.680 -3.740 -23.484 1.00 43.25 H new ATOM 0 HA ASP A 53 -1.767 -2.619 -25.840 1.00 34.31 H new ATOM 0 HB2 ASP A 53 -0.775 -5.008 -25.237 1.00 32.32 H new ATOM 0 HB3 ASP A 53 -2.441 -5.385 -24.842 1.00 32.32 H new ATOM 848 N VAL A 54 -4.032 -3.878 -23.773 1.00 11.33 N ATOM 849 CA VAL A 54 -5.428 -3.773 -23.363 1.00 44.35 C ATOM 850 C VAL A 54 -5.774 -2.346 -22.954 1.00 12.33 C ATOM 851 O VAL A 54 -6.895 -1.884 -23.166 1.00 31.24 O ATOM 852 CB VAL A 54 -5.742 -4.722 -22.192 1.00 70.22 C ATOM 853 CG1 VAL A 54 -7.160 -4.498 -21.688 1.00 44.25 C ATOM 854 CG2 VAL A 54 -5.539 -6.170 -22.612 1.00 34.33 C ATOM 0 H VAL A 54 -3.511 -4.621 -23.308 1.00 11.33 H new ATOM 0 HA VAL A 54 -6.033 -4.058 -24.223 1.00 44.35 H new ATOM 0 HB VAL A 54 -5.054 -4.504 -21.375 1.00 70.22 H new ATOM 0 HG11 VAL A 54 -7.364 -5.178 -20.861 1.00 44.25 H new ATOM 0 HG12 VAL A 54 -7.266 -3.468 -21.347 1.00 44.25 H new ATOM 0 HG13 VAL A 54 -7.867 -4.687 -22.495 1.00 44.25 H new ATOM 0 HG21 VAL A 54 -5.765 -6.827 -21.773 1.00 34.33 H new ATOM 0 HG22 VAL A 54 -6.202 -6.404 -23.445 1.00 34.33 H new ATOM 0 HG23 VAL A 54 -4.504 -6.318 -22.920 1.00 34.33 H new ATOM 864 N GLN A 55 -4.804 -1.652 -22.366 1.00 71.44 N ATOM 865 CA GLN A 55 -5.007 -0.277 -21.927 1.00 33.13 C ATOM 866 C GLN A 55 -5.471 0.602 -23.084 1.00 31.52 C ATOM 867 O GLN A 55 -6.444 1.345 -22.960 1.00 64.33 O ATOM 868 CB GLN A 55 -3.717 0.286 -21.329 1.00 65.50 C ATOM 869 CG GLN A 55 -3.102 -0.604 -20.260 1.00 74.45 C ATOM 870 CD GLN A 55 -2.839 0.137 -18.965 1.00 24.24 C ATOM 871 OE1 GLN A 55 -2.312 1.250 -18.969 1.00 13.02 O ATOM 872 NE2 GLN A 55 -3.204 -0.478 -17.846 1.00 1.03 N ATOM 0 H GLN A 55 -3.870 -2.020 -22.183 1.00 71.44 H new ATOM 0 HA GLN A 55 -5.783 -0.278 -21.162 1.00 33.13 H new ATOM 0 HB2 GLN A 55 -2.991 0.435 -22.128 1.00 65.50 H new ATOM 0 HB3 GLN A 55 -3.923 1.266 -20.899 1.00 65.50 H new ATOM 0 HG2 GLN A 55 -3.768 -1.444 -20.065 1.00 74.45 H new ATOM 0 HG3 GLN A 55 -2.166 -1.020 -20.633 1.00 74.45 H new ATOM 0 HE21 GLN A 55 -3.638 -1.400 -17.889 1.00 1.03 H new ATOM 0 HE22 GLN A 55 -3.051 -0.028 -16.943 1.00 1.03 H new ATOM 881 N ASN A 56 -4.768 0.511 -24.208 1.00 21.20 N ATOM 882 CA ASN A 56 -5.107 1.299 -25.387 1.00 73.44 C ATOM 883 C ASN A 56 -6.584 1.143 -25.739 1.00 44.12 C ATOM 884 O ASN A 56 -7.182 2.024 -26.357 1.00 11.14 O ATOM 885 CB ASN A 56 -4.241 0.876 -26.576 1.00 30.54 C ATOM 886 CG ASN A 56 -2.927 1.631 -26.631 1.00 72.13 C ATOM 887 OD1 ASN A 56 -2.794 2.613 -27.361 1.00 43.21 O ATOM 888 ND2 ASN A 56 -1.949 1.174 -25.858 1.00 11.00 N ATOM 0 H ASN A 56 -3.960 -0.100 -24.327 1.00 21.20 H new ATOM 0 HA ASN A 56 -4.914 2.347 -25.160 1.00 73.44 H new ATOM 0 HB2 ASN A 56 -4.040 -0.194 -26.514 1.00 30.54 H new ATOM 0 HB3 ASN A 56 -4.792 1.043 -27.501 1.00 30.54 H new ATOM 0 HD21 ASN A 56 -1.042 1.641 -25.853 1.00 11.00 H new ATOM 0 HD22 ASN A 56 -2.105 0.356 -25.269 1.00 11.00 H new ATOM 895 N VAL A 57 -7.166 0.016 -25.341 1.00 44.13 N ATOM 896 CA VAL A 57 -8.572 -0.255 -25.612 1.00 54.14 C ATOM 897 C VAL A 57 -9.468 0.805 -24.980 1.00 61.42 C ATOM 898 O VAL A 57 -10.410 1.291 -25.606 1.00 51.03 O ATOM 899 CB VAL A 57 -8.988 -1.642 -25.088 1.00 21.22 C ATOM 900 CG1 VAL A 57 -10.439 -1.933 -25.439 1.00 62.53 C ATOM 901 CG2 VAL A 57 -8.069 -2.719 -25.645 1.00 32.11 C ATOM 0 H VAL A 57 -6.685 -0.724 -24.830 1.00 44.13 H new ATOM 0 HA VAL A 57 -8.695 -0.232 -26.695 1.00 54.14 H new ATOM 0 HB VAL A 57 -8.895 -1.644 -24.002 1.00 21.22 H new ATOM 0 HG11 VAL A 57 -10.715 -2.917 -25.060 1.00 62.53 H new ATOM 0 HG12 VAL A 57 -11.081 -1.177 -24.987 1.00 62.53 H new ATOM 0 HG13 VAL A 57 -10.562 -1.913 -26.522 1.00 62.53 H new ATOM 0 HG21 VAL A 57 -8.377 -3.693 -25.265 1.00 32.11 H new ATOM 0 HG22 VAL A 57 -8.127 -2.720 -26.733 1.00 32.11 H new ATOM 0 HG23 VAL A 57 -7.043 -2.517 -25.337 1.00 32.11 H new ATOM 911 N CYS A 58 -9.168 1.159 -23.735 1.00 64.12 N ATOM 912 CA CYS A 58 -9.945 2.161 -23.016 1.00 42.23 C ATOM 913 C CYS A 58 -9.961 3.485 -23.776 1.00 24.33 C ATOM 914 O CYS A 58 -10.736 4.387 -23.457 1.00 61.51 O ATOM 915 CB CYS A 58 -9.371 2.372 -21.614 1.00 11.23 C ATOM 916 SG CYS A 58 -10.634 2.594 -20.320 1.00 22.15 S ATOM 0 H CYS A 58 -8.392 0.766 -23.203 1.00 64.12 H new ATOM 0 HA CYS A 58 -10.969 1.798 -22.931 1.00 42.23 H new ATOM 0 HB2 CYS A 58 -8.748 1.516 -21.355 1.00 11.23 H new ATOM 0 HB3 CYS A 58 -8.721 3.247 -21.627 1.00 11.23 H new ATOM 921 N PHE A 59 -9.099 3.594 -24.782 1.00 32.43 N ATOM 922 CA PHE A 59 -9.013 4.807 -25.587 1.00 30.54 C ATOM 923 C PHE A 59 -9.360 4.518 -27.044 1.00 75.01 C ATOM 924 O PHE A 59 -9.322 5.411 -27.890 1.00 62.10 O ATOM 925 CB PHE A 59 -7.608 5.406 -25.495 1.00 15.45 C ATOM 926 CG PHE A 59 -7.054 5.422 -24.099 1.00 24.11 C ATOM 927 CD1 PHE A 59 -7.722 6.082 -23.081 1.00 14.04 C ATOM 928 CD2 PHE A 59 -5.864 4.776 -23.805 1.00 44.10 C ATOM 929 CE1 PHE A 59 -7.214 6.098 -21.796 1.00 5.52 C ATOM 930 CE2 PHE A 59 -5.350 4.789 -22.522 1.00 20.32 C ATOM 931 CZ PHE A 59 -6.027 5.450 -21.516 1.00 25.03 C ATOM 0 H PHE A 59 -8.450 2.857 -25.059 1.00 32.43 H new ATOM 0 HA PHE A 59 -9.734 5.525 -25.196 1.00 30.54 H new ATOM 0 HB2 PHE A 59 -6.936 4.837 -26.138 1.00 15.45 H new ATOM 0 HB3 PHE A 59 -7.630 6.425 -25.880 1.00 15.45 H new ATOM 0 HD1 PHE A 59 -8.651 6.590 -23.294 1.00 14.04 H new ATOM 0 HD2 PHE A 59 -5.332 4.256 -24.588 1.00 44.10 H new ATOM 0 HE1 PHE A 59 -7.745 6.617 -21.011 1.00 5.52 H new ATOM 0 HE2 PHE A 59 -4.420 4.283 -22.307 1.00 20.32 H new ATOM 0 HZ PHE A 59 -5.629 5.460 -20.512 1.00 25.03 H new ATOM 941 N GLN A 60 -9.699 3.265 -27.328 1.00 61.55 N ATOM 942 CA GLN A 60 -10.052 2.858 -28.684 1.00 22.35 C ATOM 943 C GLN A 60 -11.566 2.828 -28.866 1.00 64.41 C ATOM 944 O GLN A 60 -12.129 3.649 -29.588 1.00 51.31 O ATOM 945 CB GLN A 60 -9.461 1.482 -28.996 1.00 30.33 C ATOM 946 CG GLN A 60 -8.014 1.532 -29.459 1.00 71.30 C ATOM 947 CD GLN A 60 -7.764 0.677 -30.686 1.00 54.31 C ATOM 948 OE1 GLN A 60 -6.769 -0.043 -30.763 1.00 63.11 O ATOM 949 NE2 GLN A 60 -8.670 0.753 -31.655 1.00 22.34 N ATOM 0 H GLN A 60 -9.737 2.514 -26.639 1.00 61.55 H new ATOM 0 HA GLN A 60 -9.636 3.590 -29.376 1.00 22.35 H new ATOM 0 HB2 GLN A 60 -9.527 0.857 -28.106 1.00 30.33 H new ATOM 0 HB3 GLN A 60 -10.064 1.003 -29.767 1.00 30.33 H new ATOM 0 HG2 GLN A 60 -7.742 2.564 -29.679 1.00 71.30 H new ATOM 0 HG3 GLN A 60 -7.366 1.197 -28.649 1.00 71.30 H new ATOM 0 HE21 GLN A 60 -9.480 1.363 -31.549 1.00 22.34 H new ATOM 0 HE22 GLN A 60 -8.555 0.201 -32.505 1.00 22.34 H new ATOM 958 N GLU A 61 -12.217 1.875 -28.207 1.00 75.30 N ATOM 959 CA GLU A 61 -13.666 1.738 -28.299 1.00 33.34 C ATOM 960 C GLU A 61 -14.292 1.632 -26.911 1.00 4.04 C ATOM 961 O GLU A 61 -13.588 1.582 -25.902 1.00 4.22 O ATOM 962 CB GLU A 61 -14.033 0.507 -29.130 1.00 61.32 C ATOM 963 CG GLU A 61 -15.322 0.667 -29.919 1.00 64.11 C ATOM 964 CD GLU A 61 -15.447 -0.344 -31.042 1.00 54.25 C ATOM 965 OE1 GLU A 61 -14.647 -0.272 -31.998 1.00 61.31 O ATOM 966 OE2 GLU A 61 -16.347 -1.207 -30.965 1.00 41.22 O ATOM 0 H GLU A 61 -11.765 1.187 -27.604 1.00 75.30 H new ATOM 0 HA GLU A 61 -14.058 2.629 -28.789 1.00 33.34 H new ATOM 0 HB2 GLU A 61 -13.219 0.290 -29.821 1.00 61.32 H new ATOM 0 HB3 GLU A 61 -14.127 -0.353 -28.467 1.00 61.32 H new ATOM 0 HG2 GLU A 61 -16.172 0.562 -29.245 1.00 64.11 H new ATOM 0 HG3 GLU A 61 -15.367 1.674 -30.335 1.00 64.11 H new ATOM 973 N LYS A 62 -15.619 1.599 -26.867 1.00 72.13 N ATOM 974 CA LYS A 62 -16.342 1.499 -25.605 1.00 23.32 C ATOM 975 C LYS A 62 -17.533 0.554 -25.733 1.00 42.41 C ATOM 976 O LYS A 62 -18.048 0.334 -26.829 1.00 63.23 O ATOM 977 CB LYS A 62 -16.820 2.881 -25.156 1.00 3.41 C ATOM 978 CG LYS A 62 -17.457 2.887 -23.777 1.00 73.34 C ATOM 979 CD LYS A 62 -18.974 2.890 -23.865 1.00 13.04 C ATOM 980 CE LYS A 62 -19.504 4.244 -24.311 1.00 41.04 C ATOM 981 NZ LYS A 62 -20.194 4.962 -23.205 1.00 0.55 N ATOM 0 H LYS A 62 -16.217 1.640 -27.692 1.00 72.13 H new ATOM 0 HA LYS A 62 -15.660 1.096 -24.856 1.00 23.32 H new ATOM 0 HB2 LYS A 62 -15.973 3.567 -25.159 1.00 3.41 H new ATOM 0 HB3 LYS A 62 -17.540 3.260 -25.881 1.00 3.41 H new ATOM 0 HG2 LYS A 62 -17.126 2.012 -23.218 1.00 73.34 H new ATOM 0 HG3 LYS A 62 -17.122 3.764 -23.224 1.00 73.34 H new ATOM 0 HD2 LYS A 62 -19.300 2.122 -24.566 1.00 13.04 H new ATOM 0 HD3 LYS A 62 -19.396 2.635 -22.893 1.00 13.04 H new ATOM 0 HE2 LYS A 62 -18.679 4.853 -24.680 1.00 41.04 H new ATOM 0 HE3 LYS A 62 -20.196 4.107 -25.142 1.00 41.04 H new ATOM 0 HZ1 LYS A 62 -20.540 5.880 -23.550 1.00 0.55 H new ATOM 0 HZ2 LYS A 62 -20.997 4.393 -22.869 1.00 0.55 H new ATOM 0 HZ3 LYS A 62 -19.527 5.116 -22.422 1.00 0.55 H new ATOM 995 N VAL A 63 -17.967 0.000 -24.606 1.00 0.14 N ATOM 996 CA VAL A 63 -19.099 -0.918 -24.592 1.00 31.52 C ATOM 997 C VAL A 63 -19.928 -0.751 -23.323 1.00 44.31 C ATOM 998 O VAL A 63 -19.538 -0.030 -22.404 1.00 24.03 O ATOM 999 CB VAL A 63 -18.635 -2.383 -24.699 1.00 23.25 C ATOM 1000 CG1 VAL A 63 -17.444 -2.499 -25.638 1.00 0.11 C ATOM 1001 CG2 VAL A 63 -18.294 -2.935 -23.323 1.00 35.44 C ATOM 0 H VAL A 63 -17.552 0.171 -23.690 1.00 0.14 H new ATOM 0 HA VAL A 63 -19.714 -0.674 -25.459 1.00 31.52 H new ATOM 0 HB VAL A 63 -19.452 -2.975 -25.112 1.00 23.25 H new ATOM 0 HG11 VAL A 63 -17.130 -3.541 -25.701 1.00 0.11 H new ATOM 0 HG12 VAL A 63 -17.726 -2.145 -26.629 1.00 0.11 H new ATOM 0 HG13 VAL A 63 -16.621 -1.895 -25.258 1.00 0.11 H new ATOM 0 HG21 VAL A 63 -17.968 -3.971 -23.417 1.00 35.44 H new ATOM 0 HG22 VAL A 63 -17.494 -2.342 -22.881 1.00 35.44 H new ATOM 0 HG23 VAL A 63 -19.176 -2.889 -22.684 1.00 35.44 H new ATOM 1011 N THR A 64 -21.074 -1.422 -23.279 1.00 15.45 N ATOM 1012 CA THR A 64 -21.959 -1.347 -22.123 1.00 54.20 C ATOM 1013 C THR A 64 -21.760 -2.543 -21.199 1.00 71.04 C ATOM 1014 O THR A 64 -21.058 -3.495 -21.542 1.00 51.12 O ATOM 1015 CB THR A 64 -23.438 -1.284 -22.551 1.00 2.42 C ATOM 1016 OG1 THR A 64 -23.533 -0.933 -23.936 1.00 5.42 O ATOM 1017 CG2 THR A 64 -24.201 -0.269 -21.712 1.00 61.41 C ATOM 0 H THR A 64 -21.411 -2.024 -24.030 1.00 15.45 H new ATOM 0 HA THR A 64 -21.703 -0.432 -21.588 1.00 54.20 H new ATOM 0 HB THR A 64 -23.881 -2.268 -22.395 1.00 2.42 H new ATOM 0 HG1 THR A 64 -24.476 -0.897 -24.200 1.00 5.42 H new ATOM 0 HG21 THR A 64 -25.243 -0.242 -22.032 1.00 61.41 H new ATOM 0 HG22 THR A 64 -24.152 -0.555 -20.661 1.00 61.41 H new ATOM 0 HG23 THR A 64 -23.756 0.718 -21.841 1.00 61.41 H new ATOM 1025 N CYS A 65 -22.382 -2.489 -20.027 1.00 33.24 N ATOM 1026 CA CYS A 65 -22.274 -3.569 -19.053 1.00 10.44 C ATOM 1027 C CYS A 65 -23.620 -3.837 -18.386 1.00 12.42 C ATOM 1028 O CYS A 65 -24.566 -3.062 -18.536 1.00 64.53 O ATOM 1029 CB CYS A 65 -21.227 -3.223 -17.992 1.00 62.50 C ATOM 1030 SG CYS A 65 -19.567 -3.888 -18.342 1.00 32.32 S ATOM 0 H CYS A 65 -22.967 -1.709 -19.728 1.00 33.24 H new ATOM 0 HA CYS A 65 -21.964 -4.471 -19.580 1.00 10.44 H new ATOM 0 HB2 CYS A 65 -21.161 -2.139 -17.902 1.00 62.50 H new ATOM 0 HB3 CYS A 65 -21.563 -3.603 -17.027 1.00 62.50 H new ATOM 1035 N LYS A 66 -23.699 -4.939 -17.648 1.00 14.43 N ATOM 1036 CA LYS A 66 -24.928 -5.310 -16.956 1.00 1.14 C ATOM 1037 C LYS A 66 -25.458 -4.145 -16.126 1.00 32.12 C ATOM 1038 O LYS A 66 -26.661 -3.887 -16.098 1.00 62.44 O ATOM 1039 CB LYS A 66 -24.683 -6.522 -16.054 1.00 74.44 C ATOM 1040 CG LYS A 66 -25.876 -7.458 -15.956 1.00 52.43 C ATOM 1041 CD LYS A 66 -26.081 -7.953 -14.535 1.00 23.35 C ATOM 1042 CE LYS A 66 -25.593 -9.384 -14.368 1.00 22.25 C ATOM 1043 NZ LYS A 66 -24.246 -9.441 -13.736 1.00 5.34 N ATOM 0 H LYS A 66 -22.926 -5.591 -17.514 1.00 14.43 H new ATOM 0 HA LYS A 66 -25.675 -5.568 -17.707 1.00 1.14 H new ATOM 0 HB2 LYS A 66 -23.825 -7.078 -16.432 1.00 74.44 H new ATOM 0 HB3 LYS A 66 -24.422 -6.174 -15.055 1.00 74.44 H new ATOM 0 HG2 LYS A 66 -26.774 -6.941 -16.295 1.00 52.43 H new ATOM 0 HG3 LYS A 66 -25.728 -8.309 -16.621 1.00 52.43 H new ATOM 0 HD2 LYS A 66 -25.548 -7.302 -13.841 1.00 23.35 H new ATOM 0 HD3 LYS A 66 -27.139 -7.896 -14.277 1.00 23.35 H new ATOM 0 HE2 LYS A 66 -26.304 -9.941 -13.758 1.00 22.25 H new ATOM 0 HE3 LYS A 66 -25.558 -9.872 -15.342 1.00 22.25 H new ATOM 0 HZ1 LYS A 66 -23.949 -10.433 -13.640 1.00 5.34 H new ATOM 0 HZ2 LYS A 66 -23.562 -8.931 -14.330 1.00 5.34 H new ATOM 0 HZ3 LYS A 66 -24.285 -8.999 -12.796 1.00 5.34 H new ATOM 1057 N ASN A 67 -24.552 -3.444 -15.452 1.00 14.12 N ATOM 1058 CA ASN A 67 -24.930 -2.305 -14.622 1.00 23.50 C ATOM 1059 C ASN A 67 -25.104 -1.049 -15.469 1.00 50.33 C ATOM 1060 O ASN A 67 -25.115 0.066 -14.950 1.00 4.43 O ATOM 1061 CB ASN A 67 -23.874 -2.063 -13.541 1.00 61.24 C ATOM 1062 CG ASN A 67 -23.269 -3.354 -13.024 1.00 72.22 C ATOM 1063 OD1 ASN A 67 -23.914 -4.104 -12.291 1.00 25.32 O ATOM 1064 ND2 ASN A 67 -22.025 -3.619 -13.405 1.00 2.31 N ATOM 0 H ASN A 67 -23.552 -3.644 -15.464 1.00 14.12 H new ATOM 0 HA ASN A 67 -25.883 -2.535 -14.145 1.00 23.50 H new ATOM 0 HB2 ASN A 67 -23.083 -1.431 -13.945 1.00 61.24 H new ATOM 0 HB3 ASN A 67 -24.325 -1.519 -12.711 1.00 61.24 H new ATOM 0 HD21 ASN A 67 -21.566 -4.473 -13.089 1.00 2.31 H new ATOM 0 HD22 ASN A 67 -21.528 -2.968 -14.014 1.00 2.31 H new ATOM 1071 N GLY A 68 -25.241 -1.238 -16.778 1.00 71.22 N ATOM 1072 CA GLY A 68 -25.414 -0.112 -17.677 1.00 3.33 C ATOM 1073 C GLY A 68 -24.418 1.000 -17.411 1.00 21.21 C ATOM 1074 O GLY A 68 -24.730 2.177 -17.590 1.00 32.40 O ATOM 0 H GLY A 68 -25.235 -2.151 -17.232 1.00 71.22 H new ATOM 0 HA2 GLY A 68 -25.307 -0.453 -18.707 1.00 3.33 H new ATOM 0 HA3 GLY A 68 -26.426 0.279 -17.574 1.00 3.33 H new ATOM 1078 N GLN A 69 -23.217 0.626 -16.981 1.00 11.11 N ATOM 1079 CA GLN A 69 -22.174 1.601 -16.688 1.00 4.44 C ATOM 1080 C GLN A 69 -21.387 1.952 -17.946 1.00 42.02 C ATOM 1081 O GLN A 69 -21.494 1.273 -18.967 1.00 10.34 O ATOM 1082 CB GLN A 69 -21.227 1.060 -15.615 1.00 13.15 C ATOM 1083 CG GLN A 69 -21.805 1.117 -14.209 1.00 43.04 C ATOM 1084 CD GLN A 69 -20.824 0.642 -13.156 1.00 3.13 C ATOM 1085 OE1 GLN A 69 -20.192 1.447 -12.471 1.00 14.42 O ATOM 1086 NE2 GLN A 69 -20.690 -0.672 -13.020 1.00 75.10 N ATOM 0 H GLN A 69 -22.943 -0.344 -16.828 1.00 11.11 H new ATOM 0 HA GLN A 69 -22.654 2.507 -16.317 1.00 4.44 H new ATOM 0 HB2 GLN A 69 -20.973 0.027 -15.853 1.00 13.15 H new ATOM 0 HB3 GLN A 69 -20.298 1.630 -15.641 1.00 13.15 H new ATOM 0 HG2 GLN A 69 -22.106 2.141 -13.985 1.00 43.04 H new ATOM 0 HG3 GLN A 69 -22.705 0.504 -14.165 1.00 43.04 H new ATOM 0 HE21 GLN A 69 -21.233 -1.304 -13.608 1.00 75.10 H new ATOM 0 HE22 GLN A 69 -20.044 -1.050 -12.327 1.00 75.10 H new ATOM 1095 N GLY A 70 -20.596 3.018 -17.866 1.00 63.21 N ATOM 1096 CA GLY A 70 -19.803 3.440 -19.006 1.00 2.32 C ATOM 1097 C GLY A 70 -18.314 3.291 -18.764 1.00 20.14 C ATOM 1098 O GLY A 70 -17.514 4.075 -19.272 1.00 11.55 O ATOM 0 H GLY A 70 -20.490 3.596 -17.033 1.00 63.21 H new ATOM 0 HA2 GLY A 70 -20.087 2.853 -19.879 1.00 2.32 H new ATOM 0 HA3 GLY A 70 -20.028 4.481 -19.236 1.00 2.32 H new ATOM 1102 N ASN A 71 -17.941 2.281 -17.984 1.00 12.22 N ATOM 1103 CA ASN A 71 -16.538 2.033 -17.673 1.00 50.02 C ATOM 1104 C ASN A 71 -16.050 0.753 -18.345 1.00 35.22 C ATOM 1105 O ASN A 71 -14.964 0.257 -18.046 1.00 22.22 O ATOM 1106 CB ASN A 71 -16.339 1.936 -16.159 1.00 63.14 C ATOM 1107 CG ASN A 71 -16.329 0.501 -15.668 1.00 43.14 C ATOM 1108 OD1 ASN A 71 -15.520 0.130 -14.818 1.00 22.02 O ATOM 1109 ND2 ASN A 71 -17.230 -0.314 -16.204 1.00 51.31 N ATOM 0 H ASN A 71 -18.591 1.621 -17.556 1.00 12.22 H new ATOM 0 HA ASN A 71 -15.953 2.869 -18.056 1.00 50.02 H new ATOM 0 HB2 ASN A 71 -15.399 2.417 -15.887 1.00 63.14 H new ATOM 0 HB3 ASN A 71 -17.135 2.484 -15.655 1.00 63.14 H new ATOM 0 HD21 ASN A 71 -17.271 -1.291 -15.914 1.00 51.31 H new ATOM 0 HD22 ASN A 71 -17.882 0.037 -16.906 1.00 51.31 H new ATOM 1116 N CYS A 72 -16.861 0.223 -19.254 1.00 72.34 N ATOM 1117 CA CYS A 72 -16.514 -0.999 -19.969 1.00 60.45 C ATOM 1118 C CYS A 72 -16.105 -0.691 -21.407 1.00 23.12 C ATOM 1119 O CYS A 72 -16.543 0.301 -21.989 1.00 11.40 O ATOM 1120 CB CYS A 72 -17.694 -1.973 -19.961 1.00 53.23 C ATOM 1121 SG CYS A 72 -18.399 -2.273 -18.308 1.00 63.54 S ATOM 0 H CYS A 72 -17.764 0.621 -19.513 1.00 72.34 H new ATOM 0 HA CYS A 72 -15.668 -1.460 -19.459 1.00 60.45 H new ATOM 0 HB2 CYS A 72 -18.476 -1.585 -20.613 1.00 53.23 H new ATOM 0 HB3 CYS A 72 -17.369 -2.924 -20.384 1.00 53.23 H new ATOM 1126 N TYR A 73 -15.262 -1.548 -21.973 1.00 35.21 N ATOM 1127 CA TYR A 73 -14.792 -1.367 -23.341 1.00 0.10 C ATOM 1128 C TYR A 73 -14.382 -2.701 -23.957 1.00 41.24 C ATOM 1129 O TYR A 73 -14.112 -3.670 -23.248 1.00 2.14 O ATOM 1130 CB TYR A 73 -13.612 -0.394 -23.372 1.00 52.21 C ATOM 1131 CG TYR A 73 -13.754 0.761 -22.406 1.00 22.40 C ATOM 1132 CD1 TYR A 73 -13.530 0.586 -21.046 1.00 35.31 C ATOM 1133 CD2 TYR A 73 -14.110 2.027 -22.854 1.00 32.12 C ATOM 1134 CE1 TYR A 73 -13.660 1.638 -20.160 1.00 25.42 C ATOM 1135 CE2 TYR A 73 -14.240 3.085 -21.975 1.00 31.10 C ATOM 1136 CZ TYR A 73 -14.014 2.885 -20.629 1.00 53.11 C ATOM 1137 OH TYR A 73 -14.142 3.936 -19.750 1.00 35.23 O ATOM 0 H TYR A 73 -14.890 -2.375 -21.505 1.00 35.21 H new ATOM 0 HA TYR A 73 -15.612 -0.953 -23.928 1.00 0.10 H new ATOM 0 HB2 TYR A 73 -12.696 -0.939 -23.142 1.00 52.21 H new ATOM 0 HB3 TYR A 73 -13.503 -0.000 -24.383 1.00 52.21 H new ATOM 0 HD1 TYR A 73 -13.250 -0.389 -20.675 1.00 35.31 H new ATOM 0 HD2 TYR A 73 -14.288 2.187 -23.907 1.00 32.12 H new ATOM 0 HE1 TYR A 73 -13.485 1.484 -19.105 1.00 25.42 H new ATOM 0 HE2 TYR A 73 -14.517 4.063 -22.340 1.00 31.10 H new ATOM 0 HH TYR A 73 -13.262 4.166 -19.385 1.00 35.23 H new ATOM 1147 N LYS A 74 -14.337 -2.743 -25.285 1.00 1.34 N ATOM 1148 CA LYS A 74 -13.958 -3.955 -26.000 1.00 31.51 C ATOM 1149 C LYS A 74 -12.606 -3.783 -26.686 1.00 34.15 C ATOM 1150 O LYS A 74 -12.370 -2.789 -27.372 1.00 13.01 O ATOM 1151 CB LYS A 74 -15.025 -4.315 -27.036 1.00 72.51 C ATOM 1152 CG LYS A 74 -16.012 -5.365 -26.554 1.00 10.53 C ATOM 1153 CD LYS A 74 -17.237 -5.432 -27.450 1.00 41.13 C ATOM 1154 CE LYS A 74 -18.516 -5.565 -26.638 1.00 2.03 C ATOM 1155 NZ LYS A 74 -19.132 -6.912 -26.789 1.00 64.42 N ATOM 0 H LYS A 74 -14.559 -1.950 -25.888 1.00 1.34 H new ATOM 0 HA LYS A 74 -13.877 -4.764 -25.274 1.00 31.51 H new ATOM 0 HB2 LYS A 74 -15.572 -3.413 -27.310 1.00 72.51 H new ATOM 0 HB3 LYS A 74 -14.534 -4.677 -27.939 1.00 72.51 H new ATOM 0 HG2 LYS A 74 -15.525 -6.340 -26.529 1.00 10.53 H new ATOM 0 HG3 LYS A 74 -16.319 -5.136 -25.533 1.00 10.53 H new ATOM 0 HD2 LYS A 74 -17.288 -4.534 -28.066 1.00 41.13 H new ATOM 0 HD3 LYS A 74 -17.146 -6.280 -28.129 1.00 41.13 H new ATOM 0 HE2 LYS A 74 -18.299 -5.381 -25.586 1.00 2.03 H new ATOM 0 HE3 LYS A 74 -19.228 -4.803 -26.955 1.00 2.03 H new ATOM 0 HZ1 LYS A 74 -20.074 -6.915 -26.347 1.00 64.42 H new ATOM 0 HZ2 LYS A 74 -19.223 -7.141 -27.799 1.00 64.42 H new ATOM 0 HZ3 LYS A 74 -18.530 -7.623 -26.326 1.00 64.42 H new ATOM 1169 N SER A 75 -11.723 -4.758 -26.496 1.00 32.20 N ATOM 1170 CA SER A 75 -10.394 -4.713 -27.094 1.00 52.34 C ATOM 1171 C SER A 75 -10.485 -4.516 -28.605 1.00 0.34 C ATOM 1172 O SER A 75 -11.179 -5.258 -29.298 1.00 32.14 O ATOM 1173 CB SER A 75 -9.627 -5.999 -26.782 1.00 4.44 C ATOM 1174 OG SER A 75 -10.235 -7.119 -27.400 1.00 71.01 O ATOM 0 H SER A 75 -11.904 -5.589 -25.933 1.00 32.20 H new ATOM 0 HA SER A 75 -9.858 -3.866 -26.665 1.00 52.34 H new ATOM 0 HB2 SER A 75 -8.597 -5.904 -27.127 1.00 4.44 H new ATOM 0 HB3 SER A 75 -9.590 -6.151 -25.703 1.00 4.44 H new ATOM 0 HG SER A 75 -10.583 -6.859 -28.278 1.00 71.01 H new ATOM 1180 N ASN A 76 -9.778 -3.509 -29.107 1.00 43.13 N ATOM 1181 CA ASN A 76 -9.778 -3.213 -30.535 1.00 51.42 C ATOM 1182 C ASN A 76 -9.871 -4.495 -31.357 1.00 12.31 C ATOM 1183 O ASN A 76 -10.878 -4.748 -32.019 1.00 24.33 O ATOM 1184 CB ASN A 76 -8.514 -2.439 -30.917 1.00 72.52 C ATOM 1185 CG ASN A 76 -7.503 -2.391 -29.788 1.00 63.23 C ATOM 1186 OD1 ASN A 76 -6.463 -3.049 -29.843 1.00 15.14 O ATOM 1187 ND2 ASN A 76 -7.804 -1.610 -28.758 1.00 4.24 N ATOM 0 H ASN A 76 -9.198 -2.884 -28.547 1.00 43.13 H new ATOM 0 HA ASN A 76 -10.652 -2.599 -30.753 1.00 51.42 H new ATOM 0 HB2 ASN A 76 -8.057 -2.903 -31.791 1.00 72.52 H new ATOM 0 HB3 ASN A 76 -8.786 -1.422 -31.201 1.00 72.52 H new ATOM 0 HD21 ASN A 76 -7.162 -1.537 -27.969 1.00 4.24 H new ATOM 0 HD22 ASN A 76 -8.677 -1.083 -28.756 1.00 4.24 H new ATOM 1194 N SER A 77 -8.815 -5.300 -31.309 1.00 22.04 N ATOM 1195 CA SER A 77 -8.776 -6.555 -32.051 1.00 4.33 C ATOM 1196 C SER A 77 -8.524 -7.732 -31.114 1.00 20.32 C ATOM 1197 O SER A 77 -8.366 -7.556 -29.906 1.00 32.02 O ATOM 1198 CB SER A 77 -7.688 -6.502 -33.126 1.00 33.24 C ATOM 1199 OG SER A 77 -6.578 -5.736 -32.691 1.00 52.02 O ATOM 0 H SER A 77 -7.975 -5.106 -30.764 1.00 22.04 H new ATOM 0 HA SER A 77 -9.745 -6.696 -32.531 1.00 4.33 H new ATOM 0 HB2 SER A 77 -7.363 -7.514 -33.369 1.00 33.24 H new ATOM 0 HB3 SER A 77 -8.096 -6.070 -34.040 1.00 33.24 H new ATOM 0 HG SER A 77 -5.896 -5.719 -33.395 1.00 52.02 H new ATOM 1205 N SER A 78 -8.488 -8.934 -31.681 1.00 31.14 N ATOM 1206 CA SER A 78 -8.260 -10.142 -30.897 1.00 23.32 C ATOM 1207 C SER A 78 -7.009 -10.002 -30.034 1.00 15.32 C ATOM 1208 O SER A 78 -6.200 -9.098 -30.238 1.00 2.32 O ATOM 1209 CB SER A 78 -8.123 -11.355 -31.819 1.00 21.52 C ATOM 1210 OG SER A 78 -9.308 -11.562 -32.568 1.00 64.45 O ATOM 0 H SER A 78 -8.614 -9.097 -32.680 1.00 31.14 H new ATOM 0 HA SER A 78 -9.119 -10.287 -30.241 1.00 23.32 H new ATOM 0 HB2 SER A 78 -7.282 -11.208 -32.496 1.00 21.52 H new ATOM 0 HB3 SER A 78 -7.904 -12.243 -31.227 1.00 21.52 H new ATOM 0 HG SER A 78 -9.195 -12.342 -33.151 1.00 64.45 H new ATOM 1216 N MET A 79 -6.860 -10.903 -29.069 1.00 21.13 N ATOM 1217 CA MET A 79 -5.708 -10.881 -28.175 1.00 10.04 C ATOM 1218 C MET A 79 -5.478 -12.254 -27.550 1.00 50.42 C ATOM 1219 O MET A 79 -6.427 -12.992 -27.283 1.00 63.03 O ATOM 1220 CB MET A 79 -5.908 -9.835 -27.076 1.00 71.12 C ATOM 1221 CG MET A 79 -5.130 -8.550 -27.311 1.00 72.52 C ATOM 1222 SD MET A 79 -6.203 -7.114 -27.502 1.00 1.24 S ATOM 1223 CE MET A 79 -5.609 -6.070 -26.173 1.00 12.41 C ATOM 0 H MET A 79 -7.522 -11.657 -28.886 1.00 21.13 H new ATOM 0 HA MET A 79 -4.829 -10.617 -28.763 1.00 10.04 H new ATOM 0 HB2 MET A 79 -6.969 -9.599 -27.000 1.00 71.12 H new ATOM 0 HB3 MET A 79 -5.607 -10.263 -26.120 1.00 71.12 H new ATOM 0 HG2 MET A 79 -4.451 -8.383 -26.475 1.00 72.52 H new ATOM 0 HG3 MET A 79 -4.515 -8.660 -28.204 1.00 72.52 H new ATOM 0 HE1 MET A 79 -6.458 -5.651 -25.633 1.00 12.41 H new ATOM 0 HE2 MET A 79 -5.000 -6.662 -25.490 1.00 12.41 H new ATOM 0 HE3 MET A 79 -5.007 -5.261 -26.587 1.00 12.41 H new ATOM 1233 N HIS A 80 -4.213 -12.590 -27.320 1.00 3.41 N ATOM 1234 CA HIS A 80 -3.859 -13.874 -26.726 1.00 63.14 C ATOM 1235 C HIS A 80 -4.454 -14.009 -25.328 1.00 74.13 C ATOM 1236 O HIS A 80 -4.309 -13.117 -24.493 1.00 10.54 O ATOM 1237 CB HIS A 80 -2.339 -14.029 -26.663 1.00 1.11 C ATOM 1238 CG HIS A 80 -1.658 -13.799 -27.977 1.00 10.10 C ATOM 1239 ND1 HIS A 80 -0.289 -13.848 -28.134 1.00 1.41 N ATOM 1240 CD2 HIS A 80 -2.166 -13.519 -29.200 1.00 43.01 C ATOM 1241 CE1 HIS A 80 0.016 -13.606 -29.396 1.00 42.13 C ATOM 1242 NE2 HIS A 80 -1.105 -13.404 -30.065 1.00 10.44 N ATOM 0 H HIS A 80 -3.416 -11.991 -27.536 1.00 3.41 H new ATOM 0 HA HIS A 80 -4.272 -14.663 -27.355 1.00 63.14 H new ATOM 0 HB2 HIS A 80 -1.941 -13.328 -25.929 1.00 1.11 H new ATOM 0 HB3 HIS A 80 -2.099 -15.032 -26.309 1.00 1.11 H new ATOM 0 HD2 HIS A 80 -3.211 -13.407 -29.449 1.00 43.01 H new ATOM 0 HE1 HIS A 80 1.013 -13.578 -29.811 1.00 42.13 H new ATOM 0 HE2 HIS A 80 -1.172 -13.196 -31.061 1.00 10.44 H new ATOM 1250 N ILE A 81 -5.125 -15.129 -25.082 1.00 33.30 N ATOM 1251 CA ILE A 81 -5.742 -15.380 -23.785 1.00 73.25 C ATOM 1252 C ILE A 81 -5.844 -16.876 -23.505 1.00 41.33 C ATOM 1253 O ILE A 81 -5.883 -17.691 -24.428 1.00 2.14 O ATOM 1254 CB ILE A 81 -7.148 -14.757 -23.701 1.00 10.21 C ATOM 1255 CG1 ILE A 81 -8.133 -15.547 -24.564 1.00 71.54 C ATOM 1256 CG2 ILE A 81 -7.108 -13.299 -24.134 1.00 2.13 C ATOM 1257 CD1 ILE A 81 -7.981 -15.287 -26.047 1.00 15.03 C ATOM 0 H ILE A 81 -5.255 -15.877 -25.763 1.00 33.30 H new ATOM 0 HA ILE A 81 -5.102 -14.915 -23.035 1.00 73.25 H new ATOM 0 HB ILE A 81 -7.486 -14.800 -22.666 1.00 10.21 H new ATOM 0 HG12 ILE A 81 -7.997 -16.612 -24.374 1.00 71.54 H new ATOM 0 HG13 ILE A 81 -9.150 -15.297 -24.262 1.00 71.54 H new ATOM 0 HG21 ILE A 81 -8.109 -12.873 -24.069 1.00 2.13 H new ATOM 0 HG22 ILE A 81 -6.434 -12.744 -23.481 1.00 2.13 H new ATOM 0 HG23 ILE A 81 -6.752 -13.234 -25.162 1.00 2.13 H new ATOM 0 HD11 ILE A 81 -8.711 -15.880 -26.597 1.00 15.03 H new ATOM 0 HD12 ILE A 81 -8.146 -14.229 -26.250 1.00 15.03 H new ATOM 0 HD13 ILE A 81 -6.976 -15.564 -26.364 1.00 15.03 H new ATOM 1269 N THR A 82 -5.888 -17.231 -22.225 1.00 15.22 N ATOM 1270 CA THR A 82 -5.987 -18.628 -21.822 1.00 44.01 C ATOM 1271 C THR A 82 -7.294 -18.898 -21.086 1.00 52.44 C ATOM 1272 O THR A 82 -7.433 -18.571 -19.907 1.00 61.25 O ATOM 1273 CB THR A 82 -4.808 -19.036 -20.918 1.00 13.03 C ATOM 1274 OG1 THR A 82 -3.587 -19.014 -21.665 1.00 1.03 O ATOM 1275 CG2 THR A 82 -5.028 -20.424 -20.336 1.00 71.41 C ATOM 0 H THR A 82 -5.857 -16.570 -21.449 1.00 15.22 H new ATOM 0 HA THR A 82 -5.959 -19.223 -22.735 1.00 44.01 H new ATOM 0 HB THR A 82 -4.744 -18.321 -20.098 1.00 13.03 H new ATOM 0 HG1 THR A 82 -3.027 -18.272 -21.355 1.00 1.03 H new ATOM 0 HG21 THR A 82 -4.183 -20.691 -19.701 1.00 71.41 H new ATOM 0 HG22 THR A 82 -5.943 -20.429 -19.743 1.00 71.41 H new ATOM 0 HG23 THR A 82 -5.116 -21.148 -21.146 1.00 71.41 H new ATOM 1283 N ASP A 83 -8.250 -19.495 -21.789 1.00 32.42 N ATOM 1284 CA ASP A 83 -9.547 -19.811 -21.201 1.00 51.22 C ATOM 1285 C ASP A 83 -9.392 -20.774 -20.028 1.00 75.25 C ATOM 1286 O ASP A 83 -8.713 -21.795 -20.135 1.00 63.45 O ATOM 1287 CB ASP A 83 -10.475 -20.416 -22.256 1.00 30.14 C ATOM 1288 CG ASP A 83 -11.875 -19.838 -22.195 1.00 51.22 C ATOM 1289 OD1 ASP A 83 -12.020 -18.612 -22.386 1.00 2.24 O ATOM 1290 OD2 ASP A 83 -12.826 -20.611 -21.958 1.00 73.23 O ATOM 0 H ASP A 83 -8.152 -19.770 -22.766 1.00 32.42 H new ATOM 0 HA ASP A 83 -9.986 -18.885 -20.831 1.00 51.22 H new ATOM 0 HB2 ASP A 83 -10.056 -20.242 -23.247 1.00 30.14 H new ATOM 0 HB3 ASP A 83 -10.524 -21.496 -22.116 1.00 30.14 H new ATOM 1295 N CYS A 84 -10.027 -20.442 -18.909 1.00 63.10 N ATOM 1296 CA CYS A 84 -9.959 -21.276 -17.715 1.00 73.11 C ATOM 1297 C CYS A 84 -11.353 -21.526 -17.147 1.00 12.03 C ATOM 1298 O CYS A 84 -11.930 -20.661 -16.487 1.00 22.32 O ATOM 1299 CB CYS A 84 -9.075 -20.615 -16.655 1.00 73.44 C ATOM 1300 SG CYS A 84 -7.383 -20.248 -17.222 1.00 74.03 S ATOM 0 H CYS A 84 -10.595 -19.601 -18.804 1.00 63.10 H new ATOM 0 HA CYS A 84 -9.523 -22.235 -17.996 1.00 73.11 H new ATOM 0 HB2 CYS A 84 -9.547 -19.688 -16.330 1.00 73.44 H new ATOM 0 HB3 CYS A 84 -9.021 -21.268 -15.784 1.00 73.44 H new ATOM 1305 N ARG A 85 -11.888 -22.714 -17.408 1.00 32.25 N ATOM 1306 CA ARG A 85 -13.214 -23.078 -16.923 1.00 53.02 C ATOM 1307 C ARG A 85 -13.172 -24.401 -16.164 1.00 2.45 C ATOM 1308 O ARG A 85 -12.511 -25.350 -16.586 1.00 24.44 O ATOM 1309 CB ARG A 85 -14.197 -23.180 -18.091 1.00 40.22 C ATOM 1310 CG ARG A 85 -15.509 -23.855 -17.726 1.00 61.03 C ATOM 1311 CD ARG A 85 -16.521 -23.755 -18.857 1.00 45.22 C ATOM 1312 NE ARG A 85 -17.896 -23.800 -18.367 1.00 64.03 N ATOM 1313 CZ ARG A 85 -18.444 -24.877 -17.816 1.00 11.35 C ATOM 1314 NH1 ARG A 85 -17.738 -25.991 -17.684 1.00 2.02 N ATOM 1315 NH2 ARG A 85 -19.702 -24.840 -17.394 1.00 4.13 N ATOM 0 H ARG A 85 -11.424 -23.441 -17.953 1.00 32.25 H new ATOM 0 HA ARG A 85 -13.550 -22.298 -16.240 1.00 53.02 H new ATOM 0 HB2 ARG A 85 -14.406 -22.179 -18.467 1.00 40.22 H new ATOM 0 HB3 ARG A 85 -13.727 -23.734 -18.903 1.00 40.22 H new ATOM 0 HG2 ARG A 85 -15.327 -24.904 -17.491 1.00 61.03 H new ATOM 0 HG3 ARG A 85 -15.919 -23.394 -16.828 1.00 61.03 H new ATOM 0 HD2 ARG A 85 -16.362 -22.826 -19.405 1.00 45.22 H new ATOM 0 HD3 ARG A 85 -16.360 -24.572 -19.561 1.00 45.22 H new ATOM 0 HE ARG A 85 -18.466 -22.959 -18.453 1.00 64.03 H new ATOM 0 HH11 ARG A 85 -16.771 -26.023 -18.006 1.00 2.02 H new ATOM 0 HH12 ARG A 85 -18.162 -26.816 -17.260 1.00 2.02 H new ATOM 0 HH21 ARG A 85 -20.248 -23.984 -17.493 1.00 4.13 H new ATOM 0 HH22 ARG A 85 -20.123 -25.667 -16.971 1.00 4.13 H new ATOM 1329 N LEU A 86 -13.880 -24.455 -15.041 1.00 73.22 N ATOM 1330 CA LEU A 86 -13.924 -25.661 -14.222 1.00 23.33 C ATOM 1331 C LEU A 86 -14.298 -26.878 -15.062 1.00 43.24 C ATOM 1332 O LEU A 86 -14.776 -26.745 -16.189 1.00 41.45 O ATOM 1333 CB LEU A 86 -14.926 -25.489 -13.079 1.00 21.41 C ATOM 1334 CG LEU A 86 -14.329 -25.205 -11.700 1.00 33.41 C ATOM 1335 CD1 LEU A 86 -15.407 -25.268 -10.629 1.00 11.12 C ATOM 1336 CD2 LEU A 86 -13.210 -26.189 -11.391 1.00 3.55 C ATOM 0 H LEU A 86 -14.431 -23.678 -14.677 1.00 73.22 H new ATOM 0 HA LEU A 86 -12.930 -25.823 -13.805 1.00 23.33 H new ATOM 0 HB2 LEU A 86 -15.602 -24.673 -13.335 1.00 21.41 H new ATOM 0 HB3 LEU A 86 -15.529 -26.394 -13.012 1.00 21.41 H new ATOM 0 HG LEU A 86 -13.910 -24.199 -11.706 1.00 33.41 H new ATOM 0 HD11 LEU A 86 -14.964 -25.063 -9.654 1.00 11.12 H new ATOM 0 HD12 LEU A 86 -16.175 -24.524 -10.842 1.00 11.12 H new ATOM 0 HD13 LEU A 86 -15.856 -26.261 -10.622 1.00 11.12 H new ATOM 0 HD21 LEU A 86 -12.797 -25.972 -10.406 1.00 3.55 H new ATOM 0 HD22 LEU A 86 -13.605 -27.205 -11.403 1.00 3.55 H new ATOM 0 HD23 LEU A 86 -12.426 -26.096 -12.142 1.00 3.55 H new ATOM 1348 N THR A 87 -14.079 -28.065 -14.506 1.00 64.32 N ATOM 1349 CA THR A 87 -14.393 -29.306 -15.204 1.00 13.33 C ATOM 1350 C THR A 87 -15.081 -30.300 -14.275 1.00 1.43 C ATOM 1351 O THR A 87 -15.248 -30.037 -13.084 1.00 72.54 O ATOM 1352 CB THR A 87 -13.126 -29.959 -15.788 1.00 54.41 C ATOM 1353 OG1 THR A 87 -12.616 -30.938 -14.878 1.00 24.55 O ATOM 1354 CG2 THR A 87 -12.058 -28.912 -16.067 1.00 60.30 C ATOM 0 H THR A 87 -13.685 -28.194 -13.574 1.00 64.32 H new ATOM 0 HA THR A 87 -15.068 -29.047 -16.020 1.00 13.33 H new ATOM 0 HB THR A 87 -13.393 -30.442 -16.728 1.00 54.41 H new ATOM 0 HG1 THR A 87 -11.811 -31.349 -15.257 1.00 24.55 H new ATOM 0 HG21 THR A 87 -11.173 -29.396 -16.479 1.00 60.30 H new ATOM 0 HG22 THR A 87 -12.440 -28.185 -16.783 1.00 60.30 H new ATOM 0 HG23 THR A 87 -11.795 -28.404 -15.139 1.00 60.30 H new ATOM 1362 N ASN A 88 -15.477 -31.442 -14.827 1.00 11.04 N ATOM 1363 CA ASN A 88 -16.147 -32.476 -14.046 1.00 41.02 C ATOM 1364 C ASN A 88 -15.264 -32.946 -12.894 1.00 41.12 C ATOM 1365 O ASN A 88 -14.070 -33.183 -13.070 1.00 44.13 O ATOM 1366 CB ASN A 88 -16.512 -33.663 -14.940 1.00 54.42 C ATOM 1367 CG ASN A 88 -17.071 -34.831 -14.151 1.00 12.31 C ATOM 1368 OD1 ASN A 88 -16.442 -35.884 -14.051 1.00 32.23 O ATOM 1369 ND2 ASN A 88 -18.259 -34.649 -13.586 1.00 52.50 N ATOM 0 H ASN A 88 -15.346 -31.675 -15.811 1.00 11.04 H new ATOM 0 HA ASN A 88 -17.059 -32.048 -13.630 1.00 41.02 H new ATOM 0 HB2 ASN A 88 -17.245 -33.344 -15.681 1.00 54.42 H new ATOM 0 HB3 ASN A 88 -15.627 -33.988 -15.487 1.00 54.42 H new ATOM 0 HD21 ASN A 88 -18.686 -35.399 -13.043 1.00 52.50 H new ATOM 0 HD22 ASN A 88 -18.745 -33.759 -13.695 1.00 52.50 H new ATOM 1376 N GLY A 89 -15.861 -33.079 -11.714 1.00 13.03 N ATOM 1377 CA GLY A 89 -15.115 -33.520 -10.550 1.00 63.41 C ATOM 1378 C GLY A 89 -13.972 -32.586 -10.206 1.00 65.32 C ATOM 1379 O GLY A 89 -12.990 -32.997 -9.587 1.00 60.23 O ATOM 0 H GLY A 89 -16.849 -32.889 -11.543 1.00 13.03 H new ATOM 0 HA2 GLY A 89 -15.789 -33.594 -9.697 1.00 63.41 H new ATOM 0 HA3 GLY A 89 -14.721 -34.520 -10.732 1.00 63.41 H new ATOM 1383 N SER A 90 -14.097 -31.326 -10.610 1.00 32.05 N ATOM 1384 CA SER A 90 -13.064 -30.332 -10.345 1.00 64.11 C ATOM 1385 C SER A 90 -13.605 -29.205 -9.470 1.00 64.33 C ATOM 1386 O SER A 90 -13.020 -28.124 -9.400 1.00 51.01 O ATOM 1387 CB SER A 90 -12.528 -29.760 -11.659 1.00 62.52 C ATOM 1388 OG SER A 90 -11.981 -30.782 -12.474 1.00 63.43 O ATOM 0 H SER A 90 -14.904 -30.969 -11.122 1.00 32.05 H new ATOM 0 HA SER A 90 -12.250 -30.824 -9.812 1.00 64.11 H new ATOM 0 HB2 SER A 90 -13.332 -29.255 -12.194 1.00 62.52 H new ATOM 0 HB3 SER A 90 -11.765 -29.011 -11.449 1.00 62.52 H new ATOM 0 HG SER A 90 -12.310 -30.680 -13.391 1.00 63.43 H new ATOM 1394 N ARG A 91 -14.725 -29.467 -8.805 1.00 61.00 N ATOM 1395 CA ARG A 91 -15.347 -28.476 -7.935 1.00 45.45 C ATOM 1396 C ARG A 91 -14.629 -28.406 -6.590 1.00 52.05 C ATOM 1397 O ARG A 91 -13.788 -29.249 -6.280 1.00 25.30 O ATOM 1398 CB ARG A 91 -16.824 -28.809 -7.721 1.00 10.11 C ATOM 1399 CG ARG A 91 -17.644 -27.638 -7.205 1.00 51.44 C ATOM 1400 CD ARG A 91 -17.334 -26.361 -7.971 1.00 54.12 C ATOM 1401 NE ARG A 91 -18.307 -25.307 -7.694 1.00 43.03 N ATOM 1402 CZ ARG A 91 -19.502 -25.240 -8.270 1.00 42.23 C ATOM 1403 NH1 ARG A 91 -19.870 -26.161 -9.150 1.00 11.10 N ATOM 1404 NH2 ARG A 91 -20.331 -24.250 -7.966 1.00 55.13 N ATOM 0 H ARG A 91 -15.221 -30.357 -8.852 1.00 61.00 H new ATOM 0 HA ARG A 91 -15.268 -27.503 -8.420 1.00 45.45 H new ATOM 0 HB2 ARG A 91 -17.250 -29.153 -8.663 1.00 10.11 H new ATOM 0 HB3 ARG A 91 -16.903 -29.636 -7.015 1.00 10.11 H new ATOM 0 HG2 ARG A 91 -18.706 -27.868 -7.294 1.00 51.44 H new ATOM 0 HG3 ARG A 91 -17.438 -27.487 -6.145 1.00 51.44 H new ATOM 0 HD2 ARG A 91 -16.336 -26.012 -7.705 1.00 54.12 H new ATOM 0 HD3 ARG A 91 -17.324 -26.573 -9.040 1.00 54.12 H new ATOM 0 HE ARG A 91 -18.055 -24.583 -7.021 1.00 43.03 H new ATOM 0 HH11 ARG A 91 -19.235 -26.923 -9.386 1.00 11.10 H new ATOM 0 HH12 ARG A 91 -20.788 -26.107 -9.591 1.00 11.10 H new ATOM 0 HH21 ARG A 91 -20.051 -23.540 -7.290 1.00 55.13 H new ATOM 0 HH22 ARG A 91 -21.249 -24.199 -8.409 1.00 55.13 H new ATOM 1418 N TYR A 92 -14.968 -27.396 -5.797 1.00 42.10 N ATOM 1419 CA TYR A 92 -14.354 -27.214 -4.487 1.00 33.42 C ATOM 1420 C TYR A 92 -14.438 -28.496 -3.664 1.00 34.14 C ATOM 1421 O TYR A 92 -15.451 -29.196 -3.659 1.00 60.54 O ATOM 1422 CB TYR A 92 -15.034 -26.068 -3.737 1.00 1.43 C ATOM 1423 CG TYR A 92 -14.323 -25.673 -2.462 1.00 13.22 C ATOM 1424 CD1 TYR A 92 -14.636 -26.281 -1.252 1.00 52.22 C ATOM 1425 CD2 TYR A 92 -13.340 -24.691 -2.466 1.00 70.35 C ATOM 1426 CE1 TYR A 92 -13.990 -25.923 -0.085 1.00 12.14 C ATOM 1427 CE2 TYR A 92 -12.688 -24.328 -1.304 1.00 62.12 C ATOM 1428 CZ TYR A 92 -13.016 -24.947 -0.116 1.00 15.51 C ATOM 1429 OH TYR A 92 -12.370 -24.587 1.044 1.00 11.54 O ATOM 0 H TYR A 92 -15.664 -26.691 -6.038 1.00 42.10 H new ATOM 0 HA TYR A 92 -13.303 -26.968 -4.637 1.00 33.42 H new ATOM 0 HB2 TYR A 92 -15.094 -25.200 -4.394 1.00 1.43 H new ATOM 0 HB3 TYR A 92 -16.057 -26.358 -3.498 1.00 1.43 H new ATOM 0 HD1 TYR A 92 -15.397 -27.046 -1.224 1.00 52.22 H new ATOM 0 HD2 TYR A 92 -13.081 -24.203 -3.394 1.00 70.35 H new ATOM 0 HE1 TYR A 92 -14.246 -26.405 0.847 1.00 12.14 H new ATOM 0 HE2 TYR A 92 -11.925 -23.564 -1.325 1.00 62.12 H new ATOM 0 HH TYR A 92 -11.713 -23.887 0.849 1.00 11.54 H new ATOM 1439 N PRO A 93 -13.348 -28.811 -2.948 1.00 74.13 N ATOM 1440 CA PRO A 93 -12.137 -27.985 -2.946 1.00 32.40 C ATOM 1441 C PRO A 93 -11.398 -28.037 -4.279 1.00 22.24 C ATOM 1442 O PRO A 93 -10.565 -27.180 -4.571 1.00 30.24 O ATOM 1443 CB PRO A 93 -11.285 -28.608 -1.837 1.00 73.42 C ATOM 1444 CG PRO A 93 -11.748 -30.022 -1.753 1.00 14.24 C ATOM 1445 CD PRO A 93 -13.214 -29.998 -2.087 1.00 72.01 C ATOM 0 HA PRO A 93 -12.363 -26.930 -2.787 1.00 32.40 H new ATOM 0 HB2 PRO A 93 -10.223 -28.553 -2.075 1.00 73.42 H new ATOM 0 HB3 PRO A 93 -11.427 -28.088 -0.890 1.00 73.42 H new ATOM 0 HG2 PRO A 93 -11.199 -30.654 -2.451 1.00 14.24 H new ATOM 0 HG3 PRO A 93 -11.582 -30.429 -0.755 1.00 14.24 H new ATOM 0 HD2 PRO A 93 -13.523 -30.906 -2.604 1.00 72.01 H new ATOM 0 HD3 PRO A 93 -13.829 -29.916 -1.191 1.00 72.01 H new ATOM 1453 N ASN A 94 -11.708 -29.048 -5.084 1.00 34.25 N ATOM 1454 CA ASN A 94 -11.073 -29.211 -6.386 1.00 23.31 C ATOM 1455 C ASN A 94 -11.312 -27.988 -7.265 1.00 41.32 C ATOM 1456 O ASN A 94 -12.437 -27.500 -7.376 1.00 40.51 O ATOM 1457 CB ASN A 94 -11.604 -30.466 -7.083 1.00 12.44 C ATOM 1458 CG ASN A 94 -12.064 -31.523 -6.098 1.00 15.24 C ATOM 1459 OD1 ASN A 94 -12.999 -31.304 -5.327 1.00 10.03 O ATOM 1460 ND2 ASN A 94 -11.408 -32.677 -6.119 1.00 71.01 N ATOM 0 H ASN A 94 -12.395 -29.767 -4.857 1.00 34.25 H new ATOM 0 HA ASN A 94 -10.000 -29.318 -6.228 1.00 23.31 H new ATOM 0 HB2 ASN A 94 -12.435 -30.193 -7.733 1.00 12.44 H new ATOM 0 HB3 ASN A 94 -10.824 -30.882 -7.720 1.00 12.44 H new ATOM 0 HD21 ASN A 94 -11.673 -33.426 -5.479 1.00 71.01 H new ATOM 0 HD22 ASN A 94 -10.639 -32.815 -6.775 1.00 71.01 H new ATOM 1467 N CYS A 95 -10.246 -27.497 -7.889 1.00 53.21 N ATOM 1468 CA CYS A 95 -10.339 -26.331 -8.759 1.00 43.31 C ATOM 1469 C CYS A 95 -9.852 -26.662 -10.167 1.00 21.32 C ATOM 1470 O CYS A 95 -9.538 -25.769 -10.953 1.00 13.22 O ATOM 1471 CB CYS A 95 -9.520 -25.173 -8.184 1.00 71.10 C ATOM 1472 SG CYS A 95 -10.210 -24.463 -6.655 1.00 4.41 S ATOM 0 H CYS A 95 -9.308 -27.889 -7.808 1.00 53.21 H new ATOM 0 HA CYS A 95 -11.386 -26.034 -8.816 1.00 43.31 H new ATOM 0 HB2 CYS A 95 -8.507 -25.522 -7.985 1.00 71.10 H new ATOM 0 HB3 CYS A 95 -9.445 -24.387 -8.935 1.00 71.10 H new ATOM 1477 N ALA A 96 -9.792 -27.953 -10.477 1.00 62.14 N ATOM 1478 CA ALA A 96 -9.346 -28.403 -11.790 1.00 63.11 C ATOM 1479 C ALA A 96 -10.092 -27.675 -12.903 1.00 35.42 C ATOM 1480 O ALA A 96 -11.241 -27.998 -13.206 1.00 54.54 O ATOM 1481 CB ALA A 96 -9.531 -29.907 -11.923 1.00 70.45 C ATOM 0 H ALA A 96 -10.047 -28.705 -9.837 1.00 62.14 H new ATOM 0 HA ALA A 96 -8.286 -28.169 -11.886 1.00 63.11 H new ATOM 0 HB1 ALA A 96 -9.194 -30.229 -12.908 1.00 70.45 H new ATOM 0 HB2 ALA A 96 -8.947 -30.415 -11.156 1.00 70.45 H new ATOM 0 HB3 ALA A 96 -10.585 -30.156 -11.801 1.00 70.45 H new ATOM 1487 N TYR A 97 -9.433 -26.693 -13.507 1.00 33.11 N ATOM 1488 CA TYR A 97 -10.036 -25.917 -14.584 1.00 74.53 C ATOM 1489 C TYR A 97 -9.645 -26.482 -15.947 1.00 14.23 C ATOM 1490 O TYR A 97 -8.891 -27.450 -16.037 1.00 21.55 O ATOM 1491 CB TYR A 97 -9.611 -24.452 -14.486 1.00 2.42 C ATOM 1492 CG TYR A 97 -9.864 -23.838 -13.127 1.00 41.45 C ATOM 1493 CD1 TYR A 97 -11.130 -23.864 -12.557 1.00 35.34 C ATOM 1494 CD2 TYR A 97 -8.837 -23.230 -12.415 1.00 53.14 C ATOM 1495 CE1 TYR A 97 -11.367 -23.304 -11.316 1.00 42.11 C ATOM 1496 CE2 TYR A 97 -9.064 -22.668 -11.174 1.00 31.41 C ATOM 1497 CZ TYR A 97 -10.330 -22.708 -10.629 1.00 14.34 C ATOM 1498 OH TYR A 97 -10.561 -22.148 -9.393 1.00 23.24 O ATOM 0 H TYR A 97 -8.481 -26.415 -13.269 1.00 33.11 H new ATOM 0 HA TYR A 97 -11.119 -25.981 -14.481 1.00 74.53 H new ATOM 0 HB2 TYR A 97 -8.549 -24.374 -14.719 1.00 2.42 H new ATOM 0 HB3 TYR A 97 -10.146 -23.876 -15.241 1.00 2.42 H new ATOM 0 HD1 TYR A 97 -11.944 -24.330 -13.093 1.00 35.34 H new ATOM 0 HD2 TYR A 97 -7.844 -23.196 -12.839 1.00 53.14 H new ATOM 0 HE1 TYR A 97 -12.358 -23.333 -10.887 1.00 42.11 H new ATOM 0 HE2 TYR A 97 -8.255 -22.200 -10.634 1.00 31.41 H new ATOM 0 HH TYR A 97 -11.288 -22.630 -8.946 1.00 23.24 H new ATOM 1508 N ARG A 98 -10.164 -25.868 -17.005 1.00 51.21 N ATOM 1509 CA ARG A 98 -9.871 -26.308 -18.364 1.00 4.03 C ATOM 1510 C ARG A 98 -9.030 -25.270 -19.102 1.00 14.01 C ATOM 1511 O ARG A 98 -9.546 -24.251 -19.564 1.00 31.45 O ATOM 1512 CB ARG A 98 -11.169 -26.568 -19.130 1.00 41.51 C ATOM 1513 CG ARG A 98 -11.362 -28.022 -19.526 1.00 62.23 C ATOM 1514 CD ARG A 98 -10.749 -28.315 -20.887 1.00 24.13 C ATOM 1515 NE ARG A 98 -11.258 -29.558 -21.460 1.00 42.25 N ATOM 1516 CZ ARG A 98 -10.597 -30.277 -22.361 1.00 4.33 C ATOM 1517 NH1 ARG A 98 -9.406 -29.879 -22.787 1.00 51.43 N ATOM 1518 NH2 ARG A 98 -11.126 -31.397 -22.836 1.00 11.21 N ATOM 0 H ARG A 98 -10.790 -25.064 -16.947 1.00 51.21 H new ATOM 0 HA ARG A 98 -9.301 -27.235 -18.304 1.00 4.03 H new ATOM 0 HB2 ARG A 98 -12.013 -26.253 -18.516 1.00 41.51 H new ATOM 0 HB3 ARG A 98 -11.180 -25.951 -20.029 1.00 41.51 H new ATOM 0 HG2 ARG A 98 -10.908 -28.668 -18.775 1.00 62.23 H new ATOM 0 HG3 ARG A 98 -12.426 -28.256 -19.547 1.00 62.23 H new ATOM 0 HD2 ARG A 98 -10.962 -27.489 -21.566 1.00 24.13 H new ATOM 0 HD3 ARG A 98 -9.665 -28.377 -20.791 1.00 24.13 H new ATOM 0 HE ARG A 98 -12.171 -29.893 -21.152 1.00 42.25 H new ATOM 0 HH11 ARG A 98 -8.995 -29.019 -22.423 1.00 51.43 H new ATOM 0 HH12 ARG A 98 -8.901 -30.433 -23.479 1.00 51.43 H new ATOM 0 HH21 ARG A 98 -12.041 -31.707 -22.510 1.00 11.21 H new ATOM 0 HH22 ARG A 98 -10.618 -31.948 -23.528 1.00 11.21 H new ATOM 1532 N THR A 99 -7.732 -25.535 -19.209 1.00 40.15 N ATOM 1533 CA THR A 99 -6.820 -24.624 -19.889 1.00 61.14 C ATOM 1534 C THR A 99 -6.980 -24.714 -21.403 1.00 0.33 C ATOM 1535 O THR A 99 -6.485 -25.647 -22.035 1.00 2.23 O ATOM 1536 CB THR A 99 -5.353 -24.919 -19.521 1.00 55.14 C ATOM 1537 OG1 THR A 99 -5.247 -25.204 -18.122 1.00 53.11 O ATOM 1538 CG2 THR A 99 -4.460 -23.739 -19.873 1.00 64.30 C ATOM 0 H THR A 99 -7.289 -26.373 -18.833 1.00 40.15 H new ATOM 0 HA THR A 99 -7.075 -23.617 -19.559 1.00 61.14 H new ATOM 0 HB THR A 99 -5.024 -25.786 -20.094 1.00 55.14 H new ATOM 0 HG1 THR A 99 -4.506 -25.828 -17.970 1.00 53.11 H new ATOM 0 HG21 THR A 99 -3.429 -23.970 -19.604 1.00 64.30 H new ATOM 0 HG22 THR A 99 -4.521 -23.543 -20.944 1.00 64.30 H new ATOM 0 HG23 THR A 99 -4.789 -22.857 -19.324 1.00 64.30 H new ATOM 1546 N SER A 100 -7.674 -23.737 -21.979 1.00 31.34 N ATOM 1547 CA SER A 100 -7.902 -23.708 -23.419 1.00 30.14 C ATOM 1548 C SER A 100 -7.116 -22.574 -24.070 1.00 73.00 C ATOM 1549 O SER A 100 -7.520 -21.411 -24.046 1.00 70.11 O ATOM 1550 CB SER A 100 -9.394 -23.547 -23.717 1.00 21.20 C ATOM 1551 OG SER A 100 -9.939 -24.742 -24.249 1.00 33.23 O ATOM 0 H SER A 100 -8.088 -22.956 -21.471 1.00 31.34 H new ATOM 0 HA SER A 100 -7.556 -24.653 -23.837 1.00 30.14 H new ATOM 0 HB2 SER A 100 -9.924 -23.277 -22.803 1.00 21.20 H new ATOM 0 HB3 SER A 100 -9.541 -22.730 -24.424 1.00 21.20 H new ATOM 0 HG SER A 100 -10.894 -24.614 -24.429 1.00 33.23 H new ATOM 1557 N PRO A 101 -5.966 -22.919 -24.667 1.00 23.13 N ATOM 1558 CA PRO A 101 -5.098 -21.946 -25.337 1.00 15.42 C ATOM 1559 C PRO A 101 -5.717 -21.406 -26.622 1.00 71.41 C ATOM 1560 O PRO A 101 -6.047 -22.168 -27.532 1.00 4.41 O ATOM 1561 CB PRO A 101 -3.835 -22.752 -25.649 1.00 11.44 C ATOM 1562 CG PRO A 101 -4.297 -24.166 -25.723 1.00 23.13 C ATOM 1563 CD PRO A 101 -5.423 -24.286 -24.734 1.00 20.44 C ATOM 0 HA PRO A 101 -4.917 -21.067 -24.718 1.00 15.42 H new ATOM 0 HB2 PRO A 101 -3.384 -22.433 -26.589 1.00 11.44 H new ATOM 0 HB3 PRO A 101 -3.081 -22.622 -24.873 1.00 11.44 H new ATOM 0 HG2 PRO A 101 -4.634 -24.414 -26.730 1.00 23.13 H new ATOM 0 HG3 PRO A 101 -3.488 -24.854 -25.479 1.00 23.13 H new ATOM 0 HD2 PRO A 101 -6.175 -25.001 -25.067 1.00 20.44 H new ATOM 0 HD3 PRO A 101 -5.068 -24.626 -23.761 1.00 20.44 H new ATOM 1571 N LYS A 102 -5.872 -20.089 -26.691 1.00 41.51 N ATOM 1572 CA LYS A 102 -6.449 -19.446 -27.866 1.00 13.03 C ATOM 1573 C LYS A 102 -6.248 -17.935 -27.814 1.00 4.13 C ATOM 1574 O LYS A 102 -5.814 -17.393 -26.798 1.00 3.21 O ATOM 1575 CB LYS A 102 -7.942 -19.769 -27.967 1.00 43.23 C ATOM 1576 CG LYS A 102 -8.443 -19.887 -29.396 1.00 65.53 C ATOM 1577 CD LYS A 102 -9.339 -21.102 -29.574 1.00 44.31 C ATOM 1578 CE LYS A 102 -10.466 -20.823 -30.556 1.00 71.32 C ATOM 1579 NZ LYS A 102 -11.480 -19.892 -29.988 1.00 5.03 N ATOM 0 H LYS A 102 -5.606 -19.445 -25.946 1.00 41.51 H new ATOM 0 HA LYS A 102 -5.938 -19.832 -28.748 1.00 13.03 H new ATOM 0 HB2 LYS A 102 -8.139 -20.704 -27.443 1.00 43.23 H new ATOM 0 HB3 LYS A 102 -8.509 -18.991 -27.455 1.00 43.23 H new ATOM 0 HG2 LYS A 102 -8.993 -18.985 -29.665 1.00 65.53 H new ATOM 0 HG3 LYS A 102 -7.594 -19.957 -30.076 1.00 65.53 H new ATOM 0 HD2 LYS A 102 -8.745 -21.944 -29.929 1.00 44.31 H new ATOM 0 HD3 LYS A 102 -9.758 -21.391 -28.610 1.00 44.31 H new ATOM 0 HE2 LYS A 102 -10.053 -20.396 -31.470 1.00 71.32 H new ATOM 0 HE3 LYS A 102 -10.948 -21.761 -30.831 1.00 71.32 H new ATOM 0 HZ1 LYS A 102 -11.936 -19.363 -30.759 1.00 5.03 H new ATOM 0 HZ2 LYS A 102 -12.199 -20.436 -29.469 1.00 5.03 H new ATOM 0 HZ3 LYS A 102 -11.015 -19.226 -29.339 1.00 5.03 H new ATOM 1593 N GLU A 103 -6.567 -17.261 -28.915 1.00 23.55 N ATOM 1594 CA GLU A 103 -6.421 -15.813 -28.992 1.00 45.33 C ATOM 1595 C GLU A 103 -7.664 -15.172 -29.602 1.00 33.32 C ATOM 1596 O GLU A 103 -8.059 -15.500 -30.721 1.00 11.11 O ATOM 1597 CB GLU A 103 -5.187 -15.446 -29.820 1.00 60.00 C ATOM 1598 CG GLU A 103 -5.034 -16.274 -31.085 1.00 32.55 C ATOM 1599 CD GLU A 103 -4.035 -15.677 -32.056 1.00 60.12 C ATOM 1600 OE1 GLU A 103 -4.415 -14.753 -32.806 1.00 23.54 O ATOM 1601 OE2 GLU A 103 -2.873 -16.134 -32.066 1.00 44.14 O ATOM 0 H GLU A 103 -6.928 -17.695 -29.765 1.00 23.55 H new ATOM 0 HA GLU A 103 -6.297 -15.432 -27.978 1.00 45.33 H new ATOM 0 HB2 GLU A 103 -5.242 -14.392 -30.091 1.00 60.00 H new ATOM 0 HB3 GLU A 103 -4.296 -15.571 -29.204 1.00 60.00 H new ATOM 0 HG2 GLU A 103 -4.718 -17.282 -30.818 1.00 32.55 H new ATOM 0 HG3 GLU A 103 -6.003 -16.363 -31.576 1.00 32.55 H new ATOM 1608 N ARG A 104 -8.277 -14.258 -28.857 1.00 33.10 N ATOM 1609 CA ARG A 104 -9.477 -13.573 -29.322 1.00 50.23 C ATOM 1610 C ARG A 104 -9.699 -12.278 -28.546 1.00 41.23 C ATOM 1611 O ARG A 104 -9.064 -12.041 -27.518 1.00 34.53 O ATOM 1612 CB ARG A 104 -10.698 -14.482 -29.177 1.00 74.44 C ATOM 1613 CG ARG A 104 -11.481 -14.661 -30.468 1.00 15.12 C ATOM 1614 CD ARG A 104 -12.046 -16.068 -30.587 1.00 12.23 C ATOM 1615 NE ARG A 104 -11.025 -17.037 -30.974 1.00 44.22 N ATOM 1616 CZ ARG A 104 -10.673 -17.270 -32.234 1.00 31.12 C ATOM 1617 NH1 ARG A 104 -11.258 -16.607 -33.222 1.00 63.53 N ATOM 1618 NH2 ARG A 104 -9.735 -18.168 -32.507 1.00 4.54 N ATOM 0 H ARG A 104 -7.962 -13.975 -27.929 1.00 33.10 H new ATOM 0 HA ARG A 104 -9.339 -13.327 -30.375 1.00 50.23 H new ATOM 0 HB2 ARG A 104 -10.372 -15.459 -28.821 1.00 74.44 H new ATOM 0 HB3 ARG A 104 -11.359 -14.069 -28.415 1.00 74.44 H new ATOM 0 HG2 ARG A 104 -12.295 -13.937 -30.505 1.00 15.12 H new ATOM 0 HG3 ARG A 104 -10.833 -14.455 -31.320 1.00 15.12 H new ATOM 0 HD2 ARG A 104 -12.484 -16.364 -29.634 1.00 12.23 H new ATOM 0 HD3 ARG A 104 -12.850 -16.075 -31.323 1.00 12.23 H new ATOM 0 HE ARG A 104 -10.556 -17.564 -30.237 1.00 44.22 H new ATOM 0 HH11 ARG A 104 -11.980 -15.916 -33.016 1.00 63.53 H new ATOM 0 HH12 ARG A 104 -10.986 -16.787 -34.188 1.00 63.53 H new ATOM 0 HH21 ARG A 104 -9.283 -18.680 -31.749 1.00 4.54 H new ATOM 0 HH22 ARG A 104 -9.466 -18.346 -33.475 1.00 4.54 H new ATOM 1632 N HIS A 105 -10.603 -11.442 -29.046 1.00 53.24 N ATOM 1633 CA HIS A 105 -10.909 -10.170 -28.400 1.00 60.33 C ATOM 1634 C HIS A 105 -11.242 -10.376 -26.926 1.00 24.54 C ATOM 1635 O HIS A 105 -11.302 -11.509 -26.446 1.00 14.12 O ATOM 1636 CB HIS A 105 -12.077 -9.483 -29.107 1.00 53.33 C ATOM 1637 CG HIS A 105 -11.928 -9.429 -30.597 1.00 11.44 C ATOM 1638 ND1 HIS A 105 -11.656 -8.264 -31.284 1.00 33.51 N ATOM 1639 CD2 HIS A 105 -12.013 -10.404 -31.531 1.00 25.42 C ATOM 1640 CE1 HIS A 105 -11.582 -8.526 -32.577 1.00 22.24 C ATOM 1641 NE2 HIS A 105 -11.794 -9.818 -32.753 1.00 43.11 N ATOM 0 H HIS A 105 -11.137 -11.622 -29.896 1.00 53.24 H new ATOM 0 HA HIS A 105 -10.027 -9.534 -28.470 1.00 60.33 H new ATOM 0 HB2 HIS A 105 -13.000 -10.009 -28.861 1.00 53.33 H new ATOM 0 HB3 HIS A 105 -12.177 -8.468 -28.723 1.00 53.33 H new ATOM 0 HD2 HIS A 105 -12.216 -11.449 -31.349 1.00 25.42 H new ATOM 0 HE1 HIS A 105 -11.382 -7.806 -33.357 1.00 22.24 H new ATOM 0 HE2 HIS A 105 -11.795 -10.302 -33.651 1.00 43.11 H new ATOM 1649 N ILE A 106 -11.455 -9.276 -26.213 1.00 1.33 N ATOM 1650 CA ILE A 106 -11.781 -9.337 -24.793 1.00 52.44 C ATOM 1651 C ILE A 106 -12.406 -8.030 -24.316 1.00 73.05 C ATOM 1652 O ILE A 106 -12.274 -6.993 -24.967 1.00 64.02 O ATOM 1653 CB ILE A 106 -10.534 -9.637 -23.941 1.00 41.03 C ATOM 1654 CG1 ILE A 106 -9.262 -9.314 -24.728 1.00 51.40 C ATOM 1655 CG2 ILE A 106 -10.533 -11.092 -23.498 1.00 34.31 C ATOM 1656 CD1 ILE A 106 -8.117 -8.844 -23.859 1.00 2.04 C ATOM 0 H ILE A 106 -11.408 -8.331 -26.595 1.00 1.33 H new ATOM 0 HA ILE A 106 -12.499 -10.148 -24.669 1.00 52.44 H new ATOM 0 HB ILE A 106 -10.559 -9.007 -23.052 1.00 41.03 H new ATOM 0 HG12 ILE A 106 -8.949 -10.202 -25.278 1.00 51.40 H new ATOM 0 HG13 ILE A 106 -9.487 -8.544 -25.466 1.00 51.40 H new ATOM 0 HG21 ILE A 106 -9.645 -11.289 -22.897 1.00 34.31 H new ATOM 0 HG22 ILE A 106 -11.425 -11.292 -22.904 1.00 34.31 H new ATOM 0 HG23 ILE A 106 -10.528 -11.739 -24.375 1.00 34.31 H new ATOM 0 HD11 ILE A 106 -7.249 -8.634 -24.484 1.00 2.04 H new ATOM 0 HD12 ILE A 106 -8.411 -7.938 -23.329 1.00 2.04 H new ATOM 0 HD13 ILE A 106 -7.865 -9.621 -23.137 1.00 2.04 H new ATOM 1668 N ILE A 107 -13.086 -8.087 -23.176 1.00 70.43 N ATOM 1669 CA ILE A 107 -13.729 -6.908 -22.611 1.00 1.24 C ATOM 1670 C ILE A 107 -13.321 -6.704 -21.155 1.00 74.33 C ATOM 1671 O ILE A 107 -13.340 -7.641 -20.357 1.00 74.41 O ATOM 1672 CB ILE A 107 -15.263 -7.009 -22.693 1.00 35.01 C ATOM 1673 CG1 ILE A 107 -15.678 -7.819 -23.923 1.00 43.44 C ATOM 1674 CG2 ILE A 107 -15.884 -5.621 -22.732 1.00 15.31 C ATOM 1675 CD1 ILE A 107 -17.161 -8.108 -23.985 1.00 71.00 C ATOM 0 H ILE A 107 -13.206 -8.937 -22.626 1.00 70.43 H new ATOM 0 HA ILE A 107 -13.398 -6.054 -23.202 1.00 1.24 H new ATOM 0 HB ILE A 107 -15.626 -7.523 -21.803 1.00 35.01 H new ATOM 0 HG12 ILE A 107 -15.384 -7.276 -24.821 1.00 43.44 H new ATOM 0 HG13 ILE A 107 -15.132 -8.762 -23.928 1.00 43.44 H new ATOM 0 HG21 ILE A 107 -16.969 -5.709 -22.790 1.00 15.31 H new ATOM 0 HG22 ILE A 107 -15.612 -5.075 -21.829 1.00 15.31 H new ATOM 0 HG23 ILE A 107 -15.517 -5.082 -23.606 1.00 15.31 H new ATOM 0 HD11 ILE A 107 -17.382 -8.685 -24.883 1.00 71.00 H new ATOM 0 HD12 ILE A 107 -17.458 -8.678 -23.105 1.00 71.00 H new ATOM 0 HD13 ILE A 107 -17.714 -7.169 -24.012 1.00 71.00 H new ATOM 1687 N VAL A 108 -12.954 -5.473 -20.816 1.00 14.41 N ATOM 1688 CA VAL A 108 -12.545 -5.144 -19.456 1.00 31.45 C ATOM 1689 C VAL A 108 -13.115 -3.799 -19.020 1.00 30.34 C ATOM 1690 O VAL A 108 -13.526 -2.989 -19.850 1.00 21.31 O ATOM 1691 CB VAL A 108 -11.011 -5.106 -19.325 1.00 21.11 C ATOM 1692 CG1 VAL A 108 -10.472 -6.479 -18.953 1.00 70.11 C ATOM 1693 CG2 VAL A 108 -10.379 -4.608 -20.616 1.00 1.11 C ATOM 0 H VAL A 108 -12.931 -4.686 -21.465 1.00 14.41 H new ATOM 0 HA VAL A 108 -12.938 -5.928 -18.809 1.00 31.45 H new ATOM 0 HB VAL A 108 -10.749 -4.411 -18.527 1.00 21.11 H new ATOM 0 HG11 VAL A 108 -9.387 -6.432 -18.865 1.00 70.11 H new ATOM 0 HG12 VAL A 108 -10.900 -6.792 -18.001 1.00 70.11 H new ATOM 0 HG13 VAL A 108 -10.743 -7.198 -19.726 1.00 70.11 H new ATOM 0 HG21 VAL A 108 -9.295 -4.587 -20.506 1.00 1.11 H new ATOM 0 HG22 VAL A 108 -10.648 -5.276 -21.434 1.00 1.11 H new ATOM 0 HG23 VAL A 108 -10.741 -3.603 -20.834 1.00 1.11 H new ATOM 1703 N ALA A 109 -13.136 -3.568 -17.711 1.00 51.10 N ATOM 1704 CA ALA A 109 -13.653 -2.320 -17.164 1.00 52.42 C ATOM 1705 C ALA A 109 -12.535 -1.485 -16.549 1.00 51.22 C ATOM 1706 O ALA A 109 -12.081 -1.759 -15.438 1.00 13.43 O ATOM 1707 CB ALA A 109 -14.733 -2.604 -16.130 1.00 45.50 C ATOM 0 H ALA A 109 -12.801 -4.229 -17.010 1.00 51.10 H new ATOM 0 HA ALA A 109 -14.090 -1.747 -17.982 1.00 52.42 H new ATOM 0 HB1 ALA A 109 -15.110 -1.663 -15.730 1.00 45.50 H new ATOM 0 HB2 ALA A 109 -15.550 -3.152 -16.599 1.00 45.50 H new ATOM 0 HB3 ALA A 109 -14.313 -3.200 -15.320 1.00 45.50 H new ATOM 1713 N CYS A 110 -12.094 -0.466 -17.279 1.00 50.30 N ATOM 1714 CA CYS A 110 -11.028 0.409 -16.806 1.00 42.04 C ATOM 1715 C CYS A 110 -11.602 1.661 -16.149 1.00 72.40 C ATOM 1716 O CYS A 110 -12.686 2.120 -16.508 1.00 2.00 O ATOM 1717 CB CYS A 110 -10.112 0.804 -17.966 1.00 65.44 C ATOM 1718 SG CYS A 110 -10.930 0.802 -19.594 1.00 2.11 S ATOM 0 H CYS A 110 -12.459 -0.226 -18.201 1.00 50.30 H new ATOM 0 HA CYS A 110 -10.448 -0.137 -16.062 1.00 42.04 H new ATOM 0 HB2 CYS A 110 -9.710 1.799 -17.775 1.00 65.44 H new ATOM 0 HB3 CYS A 110 -9.265 0.118 -17.996 1.00 65.44 H new ATOM 1723 N GLU A 111 -10.867 2.206 -15.185 1.00 53.50 N ATOM 1724 CA GLU A 111 -11.304 3.404 -14.478 1.00 13.25 C ATOM 1725 C GLU A 111 -10.159 4.008 -13.671 1.00 25.05 C ATOM 1726 O GLU A 111 -9.053 3.469 -13.643 1.00 1.21 O ATOM 1727 CB GLU A 111 -12.478 3.077 -13.552 1.00 23.03 C ATOM 1728 CG GLU A 111 -13.611 4.087 -13.625 1.00 23.14 C ATOM 1729 CD GLU A 111 -14.332 4.251 -12.301 1.00 10.00 C ATOM 1730 OE1 GLU A 111 -13.819 3.747 -11.280 1.00 4.31 O ATOM 1731 OE2 GLU A 111 -15.409 4.882 -12.286 1.00 12.30 O ATOM 0 H GLU A 111 -9.967 1.838 -14.876 1.00 53.50 H new ATOM 0 HA GLU A 111 -11.628 4.134 -15.220 1.00 13.25 H new ATOM 0 HB2 GLU A 111 -12.865 2.090 -13.805 1.00 23.03 H new ATOM 0 HB3 GLU A 111 -12.116 3.023 -12.525 1.00 23.03 H new ATOM 0 HG2 GLU A 111 -13.213 5.052 -13.940 1.00 23.14 H new ATOM 0 HG3 GLU A 111 -14.325 3.773 -14.387 1.00 23.14 H new ATOM 1738 N GLY A 112 -10.432 5.132 -13.015 1.00 30.13 N ATOM 1739 CA GLY A 112 -9.415 5.791 -12.217 1.00 11.44 C ATOM 1740 C GLY A 112 -8.520 6.690 -13.046 1.00 44.11 C ATOM 1741 O GLY A 112 -8.970 7.306 -14.012 1.00 32.00 O ATOM 0 H GLY A 112 -11.339 5.598 -13.022 1.00 30.13 H new ATOM 0 HA2 GLY A 112 -9.896 6.382 -11.437 1.00 11.44 H new ATOM 0 HA3 GLY A 112 -8.806 5.038 -11.717 1.00 11.44 H new ATOM 1745 N SER A 113 -7.248 6.767 -12.668 1.00 44.11 N ATOM 1746 CA SER A 113 -6.288 7.602 -13.381 1.00 25.31 C ATOM 1747 C SER A 113 -4.863 7.106 -13.154 1.00 63.51 C ATOM 1748 O SER A 113 -4.393 6.985 -12.023 1.00 3.24 O ATOM 1749 CB SER A 113 -6.411 9.058 -12.928 1.00 63.12 C ATOM 1750 OG SER A 113 -5.283 9.815 -13.332 1.00 24.41 O ATOM 0 H SER A 113 -6.858 6.262 -11.872 1.00 44.11 H new ATOM 0 HA SER A 113 -6.511 7.540 -14.446 1.00 25.31 H new ATOM 0 HB2 SER A 113 -7.316 9.497 -13.347 1.00 63.12 H new ATOM 0 HB3 SER A 113 -6.510 9.098 -11.843 1.00 63.12 H new ATOM 0 HG SER A 113 -5.387 10.742 -13.032 1.00 24.41 H new ATOM 1756 N PRO A 114 -4.158 6.810 -14.256 1.00 44.12 N ATOM 1757 CA PRO A 114 -4.707 6.949 -15.608 1.00 62.32 C ATOM 1758 C PRO A 114 -5.788 5.914 -15.904 1.00 3.52 C ATOM 1759 O PRO A 114 -6.098 5.069 -15.064 1.00 10.41 O ATOM 1760 CB PRO A 114 -3.491 6.724 -16.510 1.00 25.30 C ATOM 1761 CG PRO A 114 -2.563 5.891 -15.694 1.00 71.33 C ATOM 1762 CD PRO A 114 -2.770 6.317 -14.267 1.00 41.33 C ATOM 0 HA PRO A 114 -5.190 7.915 -15.754 1.00 62.32 H new ATOM 0 HB2 PRO A 114 -3.771 6.216 -17.433 1.00 25.30 H new ATOM 0 HB3 PRO A 114 -3.028 7.669 -16.794 1.00 25.30 H new ATOM 0 HG2 PRO A 114 -2.778 4.830 -15.820 1.00 71.33 H new ATOM 0 HG3 PRO A 114 -1.528 6.045 -16.001 1.00 71.33 H new ATOM 0 HD2 PRO A 114 -2.633 5.486 -13.576 1.00 41.33 H new ATOM 0 HD3 PRO A 114 -2.065 7.095 -13.973 1.00 41.33 H new ATOM 1770 N TYR A 115 -6.357 5.987 -17.102 1.00 31.34 N ATOM 1771 CA TYR A 115 -7.405 5.057 -17.507 1.00 11.40 C ATOM 1772 C TYR A 115 -6.830 3.670 -17.773 1.00 64.30 C ATOM 1773 O TYR A 115 -6.234 3.422 -18.821 1.00 45.44 O ATOM 1774 CB TYR A 115 -8.118 5.574 -18.757 1.00 54.34 C ATOM 1775 CG TYR A 115 -9.614 5.714 -18.587 1.00 73.21 C ATOM 1776 CD1 TYR A 115 -10.161 6.114 -17.374 1.00 4.21 C ATOM 1777 CD2 TYR A 115 -10.481 5.444 -19.639 1.00 14.33 C ATOM 1778 CE1 TYR A 115 -11.527 6.242 -17.213 1.00 43.42 C ATOM 1779 CE2 TYR A 115 -11.849 5.571 -19.488 1.00 4.24 C ATOM 1780 CZ TYR A 115 -12.366 5.970 -18.273 1.00 54.31 C ATOM 1781 OH TYR A 115 -13.728 6.097 -18.118 1.00 61.51 O ATOM 0 H TYR A 115 -6.111 6.680 -17.809 1.00 31.34 H new ATOM 0 HA TYR A 115 -8.124 4.981 -16.691 1.00 11.40 H new ATOM 0 HB2 TYR A 115 -7.700 6.543 -19.029 1.00 54.34 H new ATOM 0 HB3 TYR A 115 -7.917 4.896 -19.586 1.00 54.34 H new ATOM 0 HD1 TYR A 115 -9.507 6.329 -16.542 1.00 4.21 H new ATOM 0 HD2 TYR A 115 -10.079 5.130 -20.591 1.00 14.33 H new ATOM 0 HE1 TYR A 115 -11.935 6.553 -16.263 1.00 43.42 H new ATOM 0 HE2 TYR A 115 -12.509 5.359 -20.316 1.00 4.24 H new ATOM 0 HH TYR A 115 -14.182 5.398 -18.633 1.00 61.51 H new ATOM 1791 N VAL A 116 -7.013 2.766 -16.815 1.00 54.53 N ATOM 1792 CA VAL A 116 -6.515 1.402 -16.945 1.00 50.40 C ATOM 1793 C VAL A 116 -7.566 0.389 -16.507 1.00 15.21 C ATOM 1794 O VAL A 116 -8.449 0.682 -15.700 1.00 50.52 O ATOM 1795 CB VAL A 116 -5.236 1.191 -16.113 1.00 70.34 C ATOM 1796 CG1 VAL A 116 -4.198 2.250 -16.451 1.00 11.24 C ATOM 1797 CG2 VAL A 116 -5.559 1.203 -14.627 1.00 13.51 C ATOM 0 H VAL A 116 -7.503 2.954 -15.940 1.00 54.53 H new ATOM 0 HA VAL A 116 -6.284 1.248 -17.999 1.00 50.40 H new ATOM 0 HB VAL A 116 -4.818 0.216 -16.362 1.00 70.34 H new ATOM 0 HG11 VAL A 116 -3.302 2.085 -15.853 1.00 11.24 H new ATOM 0 HG12 VAL A 116 -3.945 2.187 -17.509 1.00 11.24 H new ATOM 0 HG13 VAL A 116 -4.602 3.238 -16.233 1.00 11.24 H new ATOM 0 HG21 VAL A 116 -4.644 1.053 -14.054 1.00 13.51 H new ATOM 0 HG22 VAL A 116 -6.001 2.162 -14.359 1.00 13.51 H new ATOM 0 HG23 VAL A 116 -6.264 0.403 -14.401 1.00 13.51 H new ATOM 1807 N PRO A 117 -7.472 -0.834 -17.050 1.00 11.31 N ATOM 1808 CA PRO A 117 -8.407 -1.917 -16.729 1.00 43.51 C ATOM 1809 C PRO A 117 -8.233 -2.429 -15.304 1.00 23.15 C ATOM 1810 O PRO A 117 -7.195 -2.994 -14.958 1.00 43.05 O ATOM 1811 CB PRO A 117 -8.044 -3.009 -17.738 1.00 43.11 C ATOM 1812 CG PRO A 117 -6.619 -2.746 -18.085 1.00 51.32 C ATOM 1813 CD PRO A 117 -6.445 -1.254 -18.018 1.00 55.55 C ATOM 0 HA PRO A 117 -9.445 -1.591 -16.789 1.00 43.51 H new ATOM 0 HB2 PRO A 117 -8.170 -4.003 -17.308 1.00 43.11 H new ATOM 0 HB3 PRO A 117 -8.682 -2.960 -18.621 1.00 43.11 H new ATOM 0 HG2 PRO A 117 -5.948 -3.249 -17.388 1.00 51.32 H new ATOM 0 HG3 PRO A 117 -6.384 -3.122 -19.081 1.00 51.32 H new ATOM 0 HD2 PRO A 117 -5.444 -0.981 -17.685 1.00 55.55 H new ATOM 0 HD3 PRO A 117 -6.596 -0.788 -18.992 1.00 55.55 H new ATOM 1821 N VAL A 118 -9.256 -2.229 -14.479 1.00 4.35 N ATOM 1822 CA VAL A 118 -9.216 -2.672 -13.090 1.00 72.32 C ATOM 1823 C VAL A 118 -10.183 -3.828 -12.855 1.00 5.22 C ATOM 1824 O VAL A 118 -10.483 -4.177 -11.713 1.00 22.52 O ATOM 1825 CB VAL A 118 -9.562 -1.524 -12.124 1.00 4.31 C ATOM 1826 CG1 VAL A 118 -8.525 -0.415 -12.220 1.00 41.31 C ATOM 1827 CG2 VAL A 118 -10.956 -0.988 -12.411 1.00 50.41 C ATOM 0 H VAL A 118 -10.123 -1.763 -14.748 1.00 4.35 H new ATOM 0 HA VAL A 118 -8.198 -3.007 -12.894 1.00 72.32 H new ATOM 0 HB VAL A 118 -9.550 -1.913 -11.106 1.00 4.31 H new ATOM 0 HG11 VAL A 118 -8.786 0.388 -11.530 1.00 41.31 H new ATOM 0 HG12 VAL A 118 -7.543 -0.811 -11.961 1.00 41.31 H new ATOM 0 HG13 VAL A 118 -8.502 -0.026 -13.238 1.00 41.31 H new ATOM 0 HG21 VAL A 118 -11.184 -0.177 -11.719 1.00 50.41 H new ATOM 0 HG22 VAL A 118 -10.999 -0.614 -13.434 1.00 50.41 H new ATOM 0 HG23 VAL A 118 -11.686 -1.788 -12.286 1.00 50.41 H new ATOM 1837 N HIS A 119 -10.667 -4.418 -13.943 1.00 22.11 N ATOM 1838 CA HIS A 119 -11.599 -5.536 -13.855 1.00 73.23 C ATOM 1839 C HIS A 119 -11.773 -6.207 -15.215 1.00 0.33 C ATOM 1840 O HIS A 119 -11.623 -5.568 -16.257 1.00 23.42 O ATOM 1841 CB HIS A 119 -12.954 -5.058 -13.333 1.00 32.04 C ATOM 1842 CG HIS A 119 -14.120 -5.737 -13.982 1.00 74.12 C ATOM 1843 ND1 HIS A 119 -15.106 -6.386 -13.269 1.00 60.42 N ATOM 1844 CD2 HIS A 119 -14.457 -5.864 -15.287 1.00 45.12 C ATOM 1845 CE1 HIS A 119 -15.997 -6.885 -14.108 1.00 0.24 C ATOM 1846 NE2 HIS A 119 -15.626 -6.581 -15.339 1.00 34.35 N ATOM 0 H HIS A 119 -10.429 -4.141 -14.895 1.00 22.11 H new ATOM 0 HA HIS A 119 -11.187 -6.266 -13.159 1.00 73.23 H new ATOM 0 HB2 HIS A 119 -12.999 -5.226 -12.257 1.00 32.04 H new ATOM 0 HB3 HIS A 119 -13.036 -3.983 -13.491 1.00 32.04 H new ATOM 0 HD2 HIS A 119 -13.908 -5.473 -16.131 1.00 45.12 H new ATOM 0 HE1 HIS A 119 -16.878 -7.446 -13.834 1.00 0.24 H new ATOM 0 HE2 HIS A 119 -16.127 -6.837 -16.190 1.00 34.35 H new ATOM 1854 N PHE A 120 -12.090 -7.497 -15.197 1.00 25.25 N ATOM 1855 CA PHE A 120 -12.282 -8.255 -16.428 1.00 10.43 C ATOM 1856 C PHE A 120 -13.731 -8.714 -16.563 1.00 22.34 C ATOM 1857 O PHE A 120 -14.347 -9.152 -15.591 1.00 73.42 O ATOM 1858 CB PHE A 120 -11.346 -9.465 -16.459 1.00 12.33 C ATOM 1859 CG PHE A 120 -10.843 -9.798 -17.834 1.00 23.11 C ATOM 1860 CD1 PHE A 120 -11.623 -10.533 -18.712 1.00 40.44 C ATOM 1861 CD2 PHE A 120 -9.590 -9.377 -18.248 1.00 44.34 C ATOM 1862 CE1 PHE A 120 -11.162 -10.841 -19.978 1.00 63.41 C ATOM 1863 CE2 PHE A 120 -9.123 -9.682 -19.513 1.00 72.22 C ATOM 1864 CZ PHE A 120 -9.911 -10.415 -20.379 1.00 42.45 C ATOM 0 H PHE A 120 -12.219 -8.040 -14.343 1.00 25.25 H new ATOM 0 HA PHE A 120 -12.046 -7.602 -17.268 1.00 10.43 H new ATOM 0 HB2 PHE A 120 -10.495 -9.273 -15.806 1.00 12.33 H new ATOM 0 HB3 PHE A 120 -11.870 -10.330 -16.053 1.00 12.33 H new ATOM 0 HD1 PHE A 120 -12.602 -10.869 -18.404 1.00 40.44 H new ATOM 0 HD2 PHE A 120 -8.970 -8.804 -17.574 1.00 44.34 H new ATOM 0 HE1 PHE A 120 -11.780 -11.414 -20.653 1.00 63.41 H new ATOM 0 HE2 PHE A 120 -8.144 -9.348 -19.824 1.00 72.22 H new ATOM 0 HZ PHE A 120 -9.549 -10.655 -21.368 1.00 42.45 H new ATOM 1874 N ASP A 121 -14.268 -8.610 -17.773 1.00 64.32 N ATOM 1875 CA ASP A 121 -15.644 -9.015 -18.037 1.00 24.32 C ATOM 1876 C ASP A 121 -15.692 -10.418 -18.634 1.00 33.44 C ATOM 1877 O ASP A 121 -16.035 -11.383 -17.950 1.00 43.32 O ATOM 1878 CB ASP A 121 -16.318 -8.021 -18.984 1.00 21.24 C ATOM 1879 CG ASP A 121 -17.676 -8.502 -19.456 1.00 42.24 C ATOM 1880 OD1 ASP A 121 -18.573 -8.674 -18.605 1.00 51.14 O ATOM 1881 OD2 ASP A 121 -17.841 -8.707 -20.677 1.00 41.34 O ATOM 0 H ASP A 121 -13.771 -8.249 -18.587 1.00 64.32 H new ATOM 0 HA ASP A 121 -16.182 -9.024 -17.089 1.00 24.32 H new ATOM 0 HB2 ASP A 121 -16.431 -7.062 -18.479 1.00 21.24 H new ATOM 0 HB3 ASP A 121 -15.675 -7.853 -19.848 1.00 21.24 H new ATOM 1886 N ALA A 122 -15.348 -10.524 -19.913 1.00 52.10 N ATOM 1887 CA ALA A 122 -15.352 -11.809 -20.602 1.00 2.45 C ATOM 1888 C ALA A 122 -14.728 -11.690 -21.988 1.00 73.11 C ATOM 1889 O ALA A 122 -14.742 -10.620 -22.596 1.00 0.21 O ATOM 1890 CB ALA A 122 -16.770 -12.349 -20.703 1.00 75.11 C ATOM 0 H ALA A 122 -15.063 -9.735 -20.493 1.00 52.10 H new ATOM 0 HA ALA A 122 -14.750 -12.508 -20.021 1.00 2.45 H new ATOM 0 HB1 ALA A 122 -16.758 -13.309 -21.220 1.00 75.11 H new ATOM 0 HB2 ALA A 122 -17.181 -12.481 -19.702 1.00 75.11 H new ATOM 0 HB3 ALA A 122 -17.389 -11.645 -21.260 1.00 75.11 H new ATOM 1896 N SER A 123 -14.181 -12.796 -22.482 1.00 74.25 N ATOM 1897 CA SER A 123 -13.549 -12.815 -23.796 1.00 45.30 C ATOM 1898 C SER A 123 -14.596 -12.880 -24.903 1.00 54.31 C ATOM 1899 O SER A 123 -15.510 -13.704 -24.861 1.00 50.25 O ATOM 1900 CB SER A 123 -12.596 -14.006 -23.910 1.00 23.34 C ATOM 1901 OG SER A 123 -13.215 -15.199 -23.461 1.00 71.21 O ATOM 0 H SER A 123 -14.163 -13.691 -21.992 1.00 74.25 H new ATOM 0 HA SER A 123 -12.981 -11.892 -23.911 1.00 45.30 H new ATOM 0 HB2 SER A 123 -12.279 -14.125 -24.946 1.00 23.34 H new ATOM 0 HB3 SER A 123 -11.698 -13.815 -23.322 1.00 23.34 H new ATOM 0 HG SER A 123 -14.184 -15.133 -23.590 1.00 71.21 H new ATOM 1907 N VAL A 124 -14.457 -12.004 -25.893 1.00 50.23 N ATOM 1908 CA VAL A 124 -15.390 -11.961 -27.013 1.00 1.01 C ATOM 1909 C VAL A 124 -14.838 -12.715 -28.217 1.00 42.04 C ATOM 1910 O VAL A 124 -13.710 -13.206 -28.191 1.00 3.54 O ATOM 1911 CB VAL A 124 -15.702 -10.511 -27.428 1.00 14.01 C ATOM 1912 CG1 VAL A 124 -17.128 -10.142 -27.046 1.00 42.54 C ATOM 1913 CG2 VAL A 124 -14.707 -9.550 -26.796 1.00 64.12 C ATOM 0 H VAL A 124 -13.707 -11.314 -25.942 1.00 50.23 H new ATOM 0 HA VAL A 124 -16.309 -12.441 -26.678 1.00 1.01 H new ATOM 0 HB VAL A 124 -15.609 -10.433 -28.511 1.00 14.01 H new ATOM 0 HG11 VAL A 124 -17.331 -9.114 -27.347 1.00 42.54 H new ATOM 0 HG12 VAL A 124 -17.825 -10.812 -27.550 1.00 42.54 H new ATOM 0 HG13 VAL A 124 -17.251 -10.235 -25.967 1.00 42.54 H new ATOM 0 HG21 VAL A 124 -14.943 -8.530 -27.100 1.00 64.12 H new ATOM 0 HG22 VAL A 124 -14.766 -9.628 -25.710 1.00 64.12 H new ATOM 0 HG23 VAL A 124 -13.699 -9.803 -27.124 1.00 64.12 H new ATOM 1923 N GLU A 125 -15.641 -12.803 -29.273 1.00 52.40 N ATOM 1924 CA GLU A 125 -15.232 -13.498 -30.488 1.00 11.32 C ATOM 1925 C GLU A 125 -15.080 -12.520 -31.649 1.00 45.52 C ATOM 1926 O GLU A 125 -14.185 -12.663 -32.482 1.00 63.44 O ATOM 1927 CB GLU A 125 -16.250 -14.581 -30.850 1.00 33.04 C ATOM 1928 CG GLU A 125 -16.195 -15.797 -29.939 1.00 40.55 C ATOM 1929 CD GLU A 125 -16.701 -15.502 -28.541 1.00 12.41 C ATOM 1930 OE1 GLU A 125 -17.926 -15.320 -28.380 1.00 75.51 O ATOM 1931 OE2 GLU A 125 -15.873 -15.452 -27.608 1.00 11.33 O ATOM 0 H GLU A 125 -16.578 -12.402 -29.312 1.00 52.40 H new ATOM 0 HA GLU A 125 -14.266 -13.966 -30.300 1.00 11.32 H new ATOM 0 HB2 GLU A 125 -17.252 -14.154 -30.811 1.00 33.04 H new ATOM 0 HB3 GLU A 125 -16.079 -14.900 -31.878 1.00 33.04 H new ATOM 0 HG2 GLU A 125 -16.790 -16.600 -30.375 1.00 40.55 H new ATOM 0 HG3 GLU A 125 -15.168 -16.157 -29.881 1.00 40.55 H new