USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 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: B 24 GLN : amide:sc= 1.34 K(o=-0.45,f=-5.3!) USER MOD Set 1.2: B 72 TYR OH : rot 15:sc= -1.79! USER MOD Set 2.1: A 73 HIS : no HE2:sc= 0.943 K(o=2.3,f=-5.6!) USER MOD Set 2.2: B 26 SER OG : rot -127:sc= 1.31 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 163:sc= 0.722 (180deg=-0.321!) USER MOD Set 3.2: A 40 THR OG1 : rot -43:sc= 1.18 USER MOD Single : A 24 GLN : amide:sc= 1.36 K(o=1.4,f=-1.6!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0594) USER MOD Single : A 28 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 31 SER OG : rot 91:sc= 1.15 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 1.03 (180deg=0.544) USER MOD Single : A 42 ASN : amide:sc= -0.0137 K(o=-0.014,f=-3.6!) USER MOD Single : A 44 SER OG : rot -100:sc= 1.11 USER MOD Single : A 45 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 49 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.949) USER MOD Single : A 61 SER OG : rot 84:sc= 0.981 USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= -0.125 (180deg=-0.126) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.577 K(o=0.58,f=-7.2!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.4) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= -1.7! C(o=-1.7!,f=-4.8!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.987) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.0091 USER MOD Single : B 42 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : B 44 SER OG : rot 115:sc= 1.27 USER MOD Single : B 45 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.95) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -1.05 K(o=-1,f=-0.0091) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc=3.99e-05 USER MOD Single : B 59 LYS NZ :NH3+ -139:sc= 0.0482 (180deg=0) USER MOD Single : B 61 SER OG : rot 61:sc= 1.29 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -163:sc= -0.0301 (180deg=-0.279) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= 0.794 K(o=0.79,f=-6!) USER MOD Single : B 80 HIS : no HD1:sc=-0.00123 X(o=-0.0012,f=0) USER MOD Single : B 83 ASN : amide:sc= 0.0923 X(o=0.092,f=0) USER MOD Single : B 91 TYR OH : rot -178:sc= 0.0175 USER MOD Single : B 92 ASN : amide:sc= 1.77 K(o=1.8,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.433 -6.052 -8.710 1.00 0.00 N ATOM 2 CA ALA A 22 -6.629 -5.030 -7.661 1.00 0.00 C ATOM 3 C ALA A 22 -5.293 -4.664 -7.026 1.00 0.00 C ATOM 4 O ALA A 22 -4.311 -5.396 -7.169 1.00 0.00 O ATOM 5 CB ALA A 22 -7.600 -5.541 -6.606 1.00 0.00 C ATOM 0 HA ALA A 22 -7.052 -4.134 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.737 -4.780 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.560 -5.763 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.199 -6.447 -6.151 1.00 0.00 H new ATOM 13 N GLU A 23 -5.256 -3.533 -6.329 1.00 0.00 N ATOM 14 CA GLU A 23 -4.034 -3.075 -5.682 1.00 0.00 C ATOM 15 C GLU A 23 -4.383 -2.323 -4.398 1.00 0.00 C ATOM 16 O GLU A 23 -5.536 -1.932 -4.201 1.00 0.00 O ATOM 17 CB GLU A 23 -3.239 -2.185 -6.638 1.00 0.00 C ATOM 18 CG GLU A 23 -1.791 -1.992 -6.227 1.00 0.00 C ATOM 19 CD GLU A 23 -1.008 -1.156 -7.214 1.00 0.00 C ATOM 20 OE1 GLU A 23 -1.596 -0.686 -8.210 1.00 0.00 O ATOM 21 OE2 GLU A 23 0.202 -0.950 -6.983 1.00 0.00 O ATOM 0 H GLU A 23 -6.059 -2.917 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.415 -3.934 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.269 -2.621 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.723 -1.210 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.757 -1.516 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.314 -2.967 -6.125 1.00 0.00 H new ATOM 28 N GLN A 24 -3.403 -2.123 -3.520 1.00 0.00 N ATOM 29 CA GLN A 24 -3.684 -1.516 -2.227 1.00 0.00 C ATOM 30 C GLN A 24 -3.208 -0.068 -2.150 1.00 0.00 C ATOM 31 O GLN A 24 -2.180 0.305 -2.725 1.00 0.00 O ATOM 32 CB GLN A 24 -3.062 -2.324 -1.079 1.00 0.00 C ATOM 33 CG GLN A 24 -1.564 -2.132 -0.901 1.00 0.00 C ATOM 34 CD GLN A 24 -1.082 -2.629 0.450 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.833 -2.617 1.431 1.00 0.00 O ATOM 36 NE2 GLN A 24 0.172 -3.041 0.517 1.00 0.00 N ATOM 0 H GLN A 24 -2.426 -2.368 -3.678 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.769 -1.523 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.562 -2.051 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.261 -3.382 -1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.034 -2.663 -1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.319 -1.075 -1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.757 -3.034 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.555 -3.366 1.405 1.00 0.00 H new ATOM 45 N VAL A 25 -3.984 0.731 -1.434 1.00 0.00 N ATOM 46 CA VAL A 25 -3.632 2.109 -1.114 1.00 0.00 C ATOM 47 C VAL A 25 -3.873 2.329 0.373 1.00 0.00 C ATOM 48 O VAL A 25 -4.540 1.513 1.009 1.00 0.00 O ATOM 49 CB VAL A 25 -4.463 3.130 -1.929 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.130 3.042 -3.412 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.952 2.911 -1.703 1.00 0.00 C ATOM 0 H VAL A 25 -4.885 0.440 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.585 2.267 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.204 4.130 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.727 3.769 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.071 3.255 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.353 2.039 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.519 3.638 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.224 1.903 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.181 3.034 -0.645 1.00 0.00 H new ATOM 61 N SER A 26 -3.353 3.403 0.943 1.00 0.00 N ATOM 62 CA SER A 26 -3.510 3.629 2.367 1.00 0.00 C ATOM 63 C SER A 26 -4.748 4.479 2.616 1.00 0.00 C ATOM 64 O SER A 26 -5.308 5.065 1.685 1.00 0.00 O ATOM 65 CB SER A 26 -2.256 4.294 2.951 1.00 0.00 C ATOM 66 OG SER A 26 -2.320 4.373 4.369 1.00 0.00 O ATOM 0 H SER A 26 -2.826 4.122 0.448 1.00 0.00 H new ATOM 0 HA SER A 26 -3.638 2.670 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.372 3.728 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.146 5.295 2.534 1.00 0.00 H new ATOM 0 HG SER A 26 -1.506 4.800 4.710 1.00 0.00 H new ATOM 72 N LYS A 27 -5.173 4.556 3.872 1.00 0.00 N ATOM 73 CA LYS A 27 -6.364 5.313 4.230 1.00 0.00 C ATOM 74 C LYS A 27 -6.124 6.800 3.981 1.00 0.00 C ATOM 75 O LYS A 27 -7.061 7.597 3.915 1.00 0.00 O ATOM 76 CB LYS A 27 -6.734 5.058 5.695 1.00 0.00 C ATOM 77 CG LYS A 27 -8.098 5.605 6.092 1.00 0.00 C ATOM 78 CD LYS A 27 -8.438 5.260 7.533 1.00 0.00 C ATOM 79 CE LYS A 27 -9.774 5.852 7.952 1.00 0.00 C ATOM 80 NZ LYS A 27 -10.918 5.266 7.202 1.00 0.00 N ATOM 0 H LYS A 27 -4.709 4.103 4.659 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.198 4.986 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.716 3.984 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.974 5.506 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.109 6.687 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.862 5.198 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.467 4.177 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.653 5.632 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.922 5.688 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.755 6.930 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.812 5.614 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.857 5.545 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.886 4.229 7.275 1.00 0.00 H new ATOM 94 N GLN A 28 -4.854 7.150 3.827 1.00 0.00 N ATOM 95 CA GLN A 28 -4.448 8.500 3.477 1.00 0.00 C ATOM 96 C GLN A 28 -5.005 8.883 2.107 1.00 0.00 C ATOM 97 O GLN A 28 -5.562 9.969 1.933 1.00 0.00 O ATOM 98 CB GLN A 28 -2.921 8.587 3.483 1.00 0.00 C ATOM 99 CG GLN A 28 -2.315 8.380 4.864 1.00 0.00 C ATOM 100 CD GLN A 28 -0.892 7.848 4.823 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.451 7.160 5.742 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.171 8.138 3.752 1.00 0.00 N ATOM 0 H GLN A 28 -4.075 6.501 3.942 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.847 9.200 4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.518 7.839 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.617 9.562 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.326 9.327 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.939 7.686 5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.570 8.712 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.783 7.788 3.670 1.00 0.00 H new ATOM 111 N GLU A 29 -4.866 7.979 1.142 1.00 0.00 N ATOM 112 CA GLU A 29 -5.420 8.192 -0.188 1.00 0.00 C ATOM 113 C GLU A 29 -6.924 7.946 -0.168 1.00 0.00 C ATOM 114 O GLU A 29 -7.697 8.712 -0.747 1.00 0.00 O ATOM 115 CB GLU A 29 -4.763 7.265 -1.224 1.00 0.00 C ATOM 116 CG GLU A 29 -3.241 7.273 -1.204 1.00 0.00 C ATOM 117 CD GLU A 29 -2.665 6.210 -0.288 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.683 6.399 0.941 1.00 0.00 O ATOM 119 OE2 GLU A 29 -2.205 5.169 -0.795 1.00 0.00 O ATOM 0 H GLU A 29 -4.374 7.093 1.257 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.217 9.224 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.110 6.246 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.102 7.555 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.867 7.117 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.891 8.254 -0.882 1.00 0.00 H new ATOM 126 N ILE A 30 -7.325 6.881 0.523 1.00 0.00 N ATOM 127 CA ILE A 30 -8.731 6.486 0.618 1.00 0.00 C ATOM 128 C ILE A 30 -9.616 7.649 1.065 1.00 0.00 C ATOM 129 O ILE A 30 -10.636 7.938 0.439 1.00 0.00 O ATOM 130 CB ILE A 30 -8.914 5.302 1.597 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.162 4.069 1.086 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.391 4.985 1.786 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.151 2.912 2.062 1.00 0.00 C ATOM 0 H ILE A 30 -6.688 6.268 1.032 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.037 6.177 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.499 5.587 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.616 3.740 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.134 4.350 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.498 4.150 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.902 5.859 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.832 4.719 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.600 2.077 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.670 3.223 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.175 2.602 2.271 1.00 0.00 H new ATOM 145 N SER A 31 -9.213 8.322 2.135 1.00 0.00 N ATOM 146 CA SER A 31 -9.997 9.420 2.686 1.00 0.00 C ATOM 147 C SER A 31 -10.009 10.618 1.739 1.00 0.00 C ATOM 148 O SER A 31 -11.051 11.231 1.513 1.00 0.00 O ATOM 149 CB SER A 31 -9.431 9.841 4.043 1.00 0.00 C ATOM 150 OG SER A 31 -9.280 8.722 4.903 1.00 0.00 O ATOM 0 H SER A 31 -8.348 8.127 2.639 1.00 0.00 H new ATOM 0 HA SER A 31 -11.022 9.071 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.466 10.329 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.094 10.572 4.506 1.00 0.00 H new ATOM 0 HG SER A 31 -8.383 8.343 4.793 1.00 0.00 H new ATOM 156 N HIS A 32 -8.850 10.922 1.165 1.00 0.00 N ATOM 157 CA HIS A 32 -8.688 12.119 0.344 1.00 0.00 C ATOM 158 C HIS A 32 -9.491 12.023 -0.954 1.00 0.00 C ATOM 159 O HIS A 32 -9.984 13.031 -1.461 1.00 0.00 O ATOM 160 CB HIS A 32 -7.203 12.351 0.039 1.00 0.00 C ATOM 161 CG HIS A 32 -6.917 13.644 -0.668 1.00 0.00 C ATOM 162 ND1 HIS A 32 -6.731 14.840 -0.008 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.776 13.922 -1.987 1.00 0.00 C ATOM 164 CE1 HIS A 32 -6.492 15.795 -0.886 1.00 0.00 C ATOM 165 NE2 HIS A 32 -6.513 15.264 -2.094 1.00 0.00 N ATOM 0 H HIS A 32 -8.006 10.355 1.253 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.074 12.968 0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.643 12.329 0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.835 11.526 -0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.856 13.218 -2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.310 16.834 -0.656 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.359 15.770 -2.966 1.00 0.00 H new ATOM 174 N PHE A 33 -9.615 10.819 -1.493 1.00 0.00 N ATOM 175 CA PHE A 33 -10.339 10.625 -2.744 1.00 0.00 C ATOM 176 C PHE A 33 -11.741 10.073 -2.498 1.00 0.00 C ATOM 177 O PHE A 33 -12.533 9.943 -3.433 1.00 0.00 O ATOM 178 CB PHE A 33 -9.555 9.695 -3.674 1.00 0.00 C ATOM 179 CG PHE A 33 -8.235 10.265 -4.117 1.00 0.00 C ATOM 180 CD1 PHE A 33 -8.183 11.250 -5.090 1.00 0.00 C ATOM 181 CD2 PHE A 33 -7.048 9.822 -3.555 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.972 11.778 -5.499 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.835 10.346 -3.958 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.797 11.328 -4.930 1.00 0.00 C ATOM 0 H PHE A 33 -9.227 9.967 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.444 11.598 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.380 8.747 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.161 9.477 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.099 11.610 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.072 9.058 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.945 12.541 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.917 9.989 -3.514 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.850 11.742 -5.244 1.00 0.00 H new ATOM 194 N LYS A 34 -12.038 9.769 -1.234 1.00 0.00 N ATOM 195 CA LYS A 34 -13.340 9.230 -0.833 1.00 0.00 C ATOM 196 C LYS A 34 -13.653 7.937 -1.579 1.00 0.00 C ATOM 197 O LYS A 34 -14.627 7.860 -2.333 1.00 0.00 O ATOM 198 CB LYS A 34 -14.475 10.242 -1.053 1.00 0.00 C ATOM 199 CG LYS A 34 -14.470 11.423 -0.094 1.00 0.00 C ATOM 200 CD LYS A 34 -13.393 12.438 -0.439 1.00 0.00 C ATOM 201 CE LYS A 34 -13.418 13.616 0.519 1.00 0.00 C ATOM 202 NZ LYS A 34 -13.081 13.215 1.911 1.00 0.00 N ATOM 0 H LYS A 34 -11.385 9.889 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.275 9.019 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.413 10.620 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.429 9.722 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.445 11.909 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.315 11.062 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.414 11.959 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.538 12.793 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.711 14.373 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.407 14.074 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.731 14.042 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.931 12.842 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.345 12.480 1.892 1.00 0.00 H new ATOM 216 N LEU A 35 -12.819 6.930 -1.374 1.00 0.00 N ATOM 217 CA LEU A 35 -13.018 5.639 -2.014 1.00 0.00 C ATOM 218 C LEU A 35 -14.211 4.919 -1.398 1.00 0.00 C ATOM 219 O LEU A 35 -14.469 5.033 -0.198 1.00 0.00 O ATOM 220 CB LEU A 35 -11.755 4.783 -1.909 1.00 0.00 C ATOM 221 CG LEU A 35 -10.536 5.339 -2.649 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.355 4.394 -2.520 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.863 5.586 -4.115 1.00 0.00 C ATOM 0 H LEU A 35 -11.999 6.981 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.226 5.807 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.500 4.665 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.975 3.788 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.266 6.291 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.499 4.807 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.102 4.270 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.615 3.426 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.983 5.981 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.162 4.649 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.678 6.305 -4.190 1.00 0.00 H new ATOM 235 N VAL A 36 -14.933 4.182 -2.227 1.00 0.00 N ATOM 236 CA VAL A 36 -16.181 3.556 -1.815 1.00 0.00 C ATOM 237 C VAL A 36 -15.947 2.146 -1.285 1.00 0.00 C ATOM 238 O VAL A 36 -15.471 1.274 -2.007 1.00 0.00 O ATOM 239 CB VAL A 36 -17.173 3.504 -2.996 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.496 2.888 -2.581 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.397 4.893 -3.559 1.00 0.00 C ATOM 0 H VAL A 36 -14.674 4.001 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.602 4.161 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.736 2.873 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.172 2.867 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.328 1.871 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.940 3.483 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.099 4.839 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.804 5.539 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.449 5.301 -3.910 1.00 0.00 H new ATOM 251 N LYS A 37 -16.281 1.934 -0.021 1.00 0.00 N ATOM 252 CA LYS A 37 -16.146 0.626 0.604 1.00 0.00 C ATOM 253 C LYS A 37 -17.224 -0.325 0.094 1.00 0.00 C ATOM 254 O LYS A 37 -18.419 -0.027 0.159 1.00 0.00 O ATOM 255 CB LYS A 37 -16.208 0.772 2.127 1.00 0.00 C ATOM 256 CG LYS A 37 -16.374 -0.536 2.884 1.00 0.00 C ATOM 257 CD LYS A 37 -16.050 -0.354 4.357 1.00 0.00 C ATOM 258 CE LYS A 37 -16.718 -1.408 5.230 1.00 0.00 C ATOM 259 NZ LYS A 37 -16.576 -2.784 4.686 1.00 0.00 N ATOM 0 H LYS A 37 -16.650 2.657 0.597 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.179 0.200 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.296 1.261 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.038 1.431 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.397 -0.897 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.720 -1.295 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.970 -0.400 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.371 0.637 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.286 -1.372 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.777 -1.170 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.783 -3.476 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.242 -2.916 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.604 -2.924 4.345 1.00 0.00 H new ATOM 273 N VAL A 38 -16.791 -1.463 -0.430 1.00 0.00 N ATOM 274 CA VAL A 38 -17.706 -2.444 -1.000 1.00 0.00 C ATOM 275 C VAL A 38 -17.915 -3.617 -0.045 1.00 0.00 C ATOM 276 O VAL A 38 -19.004 -4.190 0.027 1.00 0.00 O ATOM 277 CB VAL A 38 -17.178 -2.978 -2.353 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.166 -3.951 -2.983 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.889 -1.825 -3.302 1.00 0.00 C ATOM 0 H VAL A 38 -15.808 -1.731 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.659 -1.940 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.250 -3.517 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.768 -4.310 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.322 -4.796 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.116 -3.445 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.518 -2.217 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.804 -1.259 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.137 -1.171 -2.861 1.00 0.00 H new ATOM 289 N GLY A 39 -16.875 -3.956 0.698 1.00 0.00 N ATOM 290 CA GLY A 39 -16.930 -5.101 1.580 1.00 0.00 C ATOM 291 C GLY A 39 -15.590 -5.362 2.219 1.00 0.00 C ATOM 292 O GLY A 39 -14.672 -4.562 2.068 1.00 0.00 O ATOM 0 H GLY A 39 -15.987 -3.454 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.678 -4.931 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.246 -5.981 1.019 1.00 0.00 H new ATOM 296 N THR A 40 -15.467 -6.477 2.916 1.00 0.00 N ATOM 297 CA THR A 40 -14.236 -6.808 3.614 1.00 0.00 C ATOM 298 C THR A 40 -13.717 -8.173 3.165 1.00 0.00 C ATOM 299 O THR A 40 -14.501 -9.089 2.911 1.00 0.00 O ATOM 300 CB THR A 40 -14.463 -6.817 5.142 1.00 0.00 C ATOM 301 OG1 THR A 40 -15.086 -5.592 5.547 1.00 0.00 O ATOM 302 CG2 THR A 40 -13.154 -6.991 5.901 1.00 0.00 C ATOM 0 H THR A 40 -16.207 -7.172 3.014 1.00 0.00 H new ATOM 0 HA THR A 40 -13.495 -6.047 3.370 1.00 0.00 H new ATOM 0 HB THR A 40 -15.110 -7.662 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.657 -4.840 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.352 -6.993 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.691 -7.936 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.480 -6.169 5.658 1.00 0.00 H new ATOM 310 N ILE A 41 -12.405 -8.295 3.046 1.00 0.00 N ATOM 311 CA ILE A 41 -11.785 -9.561 2.693 1.00 0.00 C ATOM 312 C ILE A 41 -10.760 -9.952 3.743 1.00 0.00 C ATOM 313 O ILE A 41 -9.995 -9.114 4.222 1.00 0.00 O ATOM 314 CB ILE A 41 -11.101 -9.517 1.309 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.135 -8.330 1.218 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.144 -9.455 0.205 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.345 -8.281 -0.072 1.00 0.00 C ATOM 0 H ILE A 41 -11.747 -7.529 3.189 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.583 -10.302 2.649 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.521 -10.431 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.701 -7.404 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.440 -8.374 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.646 -9.424 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.782 -10.337 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.752 -8.559 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.684 -7.414 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.750 -9.189 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.031 -8.204 -0.916 1.00 0.00 H new ATOM 329 N ASN A 42 -10.755 -11.213 4.122 1.00 0.00 N ATOM 330 CA ASN A 42 -9.803 -11.690 5.105 1.00 0.00 C ATOM 331 C ASN A 42 -9.013 -12.866 4.557 1.00 0.00 C ATOM 332 O ASN A 42 -9.575 -13.816 4.010 1.00 0.00 O ATOM 333 CB ASN A 42 -10.497 -12.070 6.422 1.00 0.00 C ATOM 334 CG ASN A 42 -11.458 -13.242 6.300 1.00 0.00 C ATOM 335 OD1 ASN A 42 -12.112 -13.437 5.273 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.543 -14.037 7.354 1.00 0.00 N ATOM 0 H ASN A 42 -11.395 -11.923 3.767 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.111 -10.876 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.737 -12.313 7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.043 -11.204 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.166 -14.844 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.986 -13.843 8.186 1.00 0.00 H new ATOM 343 N VAL A 43 -7.707 -12.790 4.700 1.00 0.00 N ATOM 344 CA VAL A 43 -6.828 -13.855 4.273 1.00 0.00 C ATOM 345 C VAL A 43 -6.407 -14.668 5.484 1.00 0.00 C ATOM 346 O VAL A 43 -5.580 -14.230 6.279 1.00 0.00 O ATOM 347 CB VAL A 43 -5.569 -13.308 3.557 1.00 0.00 C ATOM 348 CG1 VAL A 43 -4.636 -14.441 3.160 1.00 0.00 C ATOM 349 CG2 VAL A 43 -5.956 -12.486 2.335 1.00 0.00 C ATOM 0 H VAL A 43 -7.227 -11.991 5.114 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.371 -14.479 3.563 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.042 -12.659 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.759 -14.031 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.324 -14.984 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.156 -15.121 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.055 -12.112 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.513 -13.111 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.577 -11.645 2.644 1.00 0.00 H new ATOM 359 N SER A 44 -7.026 -15.825 5.639 1.00 0.00 N ATOM 360 CA SER A 44 -6.721 -16.716 6.741 1.00 0.00 C ATOM 361 C SER A 44 -6.114 -17.997 6.200 1.00 0.00 C ATOM 362 O SER A 44 -6.824 -18.862 5.677 1.00 0.00 O ATOM 363 CB SER A 44 -7.991 -17.027 7.532 1.00 0.00 C ATOM 364 OG SER A 44 -8.672 -15.833 7.878 1.00 0.00 O ATOM 0 H SER A 44 -7.749 -16.170 5.008 1.00 0.00 H new ATOM 0 HA SER A 44 -6.007 -16.234 7.408 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.646 -17.667 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.736 -17.581 8.436 1.00 0.00 H new ATOM 0 HG SER A 44 -8.472 -15.601 8.809 1.00 0.00 H new ATOM 370 N GLN A 45 -4.803 -18.108 6.296 1.00 0.00 N ATOM 371 CA GLN A 45 -4.107 -19.238 5.713 1.00 0.00 C ATOM 372 C GLN A 45 -3.773 -20.286 6.755 1.00 0.00 C ATOM 373 O GLN A 45 -3.697 -19.995 7.950 1.00 0.00 O ATOM 374 CB GLN A 45 -2.843 -18.786 4.984 1.00 0.00 C ATOM 375 CG GLN A 45 -3.132 -17.966 3.737 1.00 0.00 C ATOM 376 CD GLN A 45 -4.173 -18.614 2.845 1.00 0.00 C ATOM 377 OE1 GLN A 45 -4.317 -19.833 2.823 1.00 0.00 O ATOM 378 NE2 GLN A 45 -4.896 -17.800 2.098 1.00 0.00 N ATOM 0 H GLN A 45 -4.202 -17.434 6.769 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.780 -19.693 4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.230 -18.196 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.258 -19.663 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.476 -16.974 4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.209 -17.830 3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.744 -16.793 2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.607 -18.179 1.472 1.00 0.00 H new ATOM 387 N SER A 46 -3.588 -21.508 6.287 1.00 0.00 N ATOM 388 CA SER A 46 -3.295 -22.631 7.155 1.00 0.00 C ATOM 389 C SER A 46 -1.816 -22.998 7.103 1.00 0.00 C ATOM 390 O SER A 46 -1.399 -24.019 7.656 1.00 0.00 O ATOM 391 CB SER A 46 -4.154 -23.822 6.739 1.00 0.00 C ATOM 392 OG SER A 46 -4.162 -23.980 5.328 1.00 0.00 O ATOM 0 H SER A 46 -3.637 -21.748 5.297 1.00 0.00 H new ATOM 0 HA SER A 46 -3.528 -22.352 8.183 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.773 -24.730 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.174 -23.682 7.098 1.00 0.00 H new ATOM 0 HG SER A 46 -4.718 -24.751 5.088 1.00 0.00 H new ATOM 398 N GLY A 47 -1.024 -22.172 6.436 1.00 0.00 N ATOM 399 CA GLY A 47 0.392 -22.440 6.339 1.00 0.00 C ATOM 400 C GLY A 47 1.054 -21.723 5.182 1.00 0.00 C ATOM 401 O GLY A 47 0.841 -20.524 4.979 1.00 0.00 O ATOM 0 H GLY A 47 -1.337 -21.324 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.877 -22.142 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.546 -23.513 6.229 1.00 0.00 H new ATOM 405 N GLY A 48 1.821 -22.471 4.398 1.00 0.00 N ATOM 406 CA GLY A 48 2.673 -21.879 3.382 1.00 0.00 C ATOM 407 C GLY A 48 1.948 -21.536 2.095 1.00 0.00 C ATOM 408 O GLY A 48 2.375 -21.936 1.008 1.00 0.00 O ATOM 0 H GLY A 48 1.868 -23.489 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.126 -20.973 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.486 -22.569 3.157 1.00 0.00 H new ATOM 412 N GLN A 49 0.851 -20.807 2.205 1.00 0.00 N ATOM 413 CA GLN A 49 0.176 -20.287 1.027 1.00 0.00 C ATOM 414 C GLN A 49 0.625 -18.852 0.781 1.00 0.00 C ATOM 415 O GLN A 49 0.527 -18.335 -0.329 1.00 0.00 O ATOM 416 CB GLN A 49 -1.345 -20.363 1.172 1.00 0.00 C ATOM 417 CG GLN A 49 -1.876 -21.784 1.310 1.00 0.00 C ATOM 418 CD GLN A 49 -3.315 -21.915 0.850 1.00 0.00 C ATOM 419 OE1 GLN A 49 -3.770 -21.183 -0.033 1.00 0.00 O ATOM 420 NE2 GLN A 49 -4.036 -22.856 1.432 1.00 0.00 N ATOM 0 H GLN A 49 0.410 -20.562 3.092 1.00 0.00 H new ATOM 0 HA GLN A 49 0.447 -20.903 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.647 -19.785 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.808 -19.894 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.249 -22.460 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.801 -22.096 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.622 -23.440 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.007 -22.999 1.155 1.00 0.00 H new ATOM 429 N ILE A 50 1.127 -18.223 1.837 1.00 0.00 N ATOM 430 CA ILE A 50 1.720 -16.900 1.743 1.00 0.00 C ATOM 431 C ILE A 50 3.193 -16.991 2.119 1.00 0.00 C ATOM 432 O ILE A 50 3.534 -17.105 3.295 1.00 0.00 O ATOM 433 CB ILE A 50 1.018 -15.883 2.678 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.483 -15.808 2.373 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.657 -14.505 2.551 1.00 0.00 C ATOM 436 CD1 ILE A 50 -0.809 -15.346 0.968 1.00 0.00 C ATOM 0 H ILE A 50 1.133 -18.616 2.778 1.00 0.00 H new ATOM 0 HA ILE A 50 1.601 -16.548 0.718 1.00 0.00 H new ATOM 0 HB ILE A 50 1.142 -16.227 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.924 -16.792 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.953 -15.130 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.149 -13.806 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.710 -14.566 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.569 -14.156 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.891 -15.321 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.401 -14.348 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.371 -16.036 0.247 1.00 0.00 H new ATOM 448 N SER A 51 4.062 -16.990 1.120 1.00 0.00 N ATOM 449 CA SER A 51 5.489 -17.118 1.362 1.00 0.00 C ATOM 450 C SER A 51 6.197 -15.798 1.078 1.00 0.00 C ATOM 451 O SER A 51 7.023 -15.338 1.870 1.00 0.00 O ATOM 452 CB SER A 51 6.072 -18.240 0.496 1.00 0.00 C ATOM 453 OG SER A 51 7.417 -18.525 0.853 1.00 0.00 O ATOM 0 H SER A 51 3.804 -16.902 0.137 1.00 0.00 H new ATOM 0 HA SER A 51 5.646 -17.371 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.466 -19.139 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.026 -17.952 -0.554 1.00 0.00 H new ATOM 0 HG SER A 51 7.761 -19.245 0.284 1.00 0.00 H new ATOM 459 N SER A 52 5.870 -15.195 -0.052 1.00 0.00 N ATOM 460 CA SER A 52 6.452 -13.926 -0.441 1.00 0.00 C ATOM 461 C SER A 52 5.375 -12.841 -0.435 1.00 0.00 C ATOM 462 O SER A 52 4.180 -13.152 -0.406 1.00 0.00 O ATOM 463 CB SER A 52 7.064 -14.054 -1.839 1.00 0.00 C ATOM 464 OG SER A 52 7.837 -15.237 -1.953 1.00 0.00 O ATOM 0 H SER A 52 5.197 -15.570 -0.721 1.00 0.00 H new ATOM 0 HA SER A 52 7.233 -13.650 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.271 -14.061 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.690 -13.186 -2.046 1.00 0.00 H new ATOM 0 HG SER A 52 8.215 -15.295 -2.855 1.00 0.00 H new ATOM 470 N PRO A 53 5.773 -11.553 -0.454 1.00 0.00 N ATOM 471 CA PRO A 53 4.823 -10.439 -0.579 1.00 0.00 C ATOM 472 C PRO A 53 3.944 -10.587 -1.819 1.00 0.00 C ATOM 473 O PRO A 53 2.801 -10.128 -1.846 1.00 0.00 O ATOM 474 CB PRO A 53 5.727 -9.209 -0.704 1.00 0.00 C ATOM 475 CG PRO A 53 7.004 -9.609 -0.050 1.00 0.00 C ATOM 476 CD PRO A 53 7.164 -11.078 -0.325 1.00 0.00 C ATOM 0 HA PRO A 53 4.134 -10.385 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.885 -8.938 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.286 -8.342 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.844 -9.042 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.972 -9.413 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.736 -11.257 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.688 -11.584 0.486 1.00 0.00 H new ATOM 484 N SER A 54 4.492 -11.248 -2.836 1.00 0.00 N ATOM 485 CA SER A 54 3.774 -11.529 -4.069 1.00 0.00 C ATOM 486 C SER A 54 2.529 -12.369 -3.794 1.00 0.00 C ATOM 487 O SER A 54 1.436 -12.041 -4.258 1.00 0.00 O ATOM 488 CB SER A 54 4.698 -12.269 -5.033 1.00 0.00 C ATOM 489 OG SER A 54 5.971 -11.646 -5.080 1.00 0.00 O ATOM 0 H SER A 54 5.448 -11.603 -2.825 1.00 0.00 H new ATOM 0 HA SER A 54 3.456 -10.586 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.806 -13.307 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.257 -12.283 -6.030 1.00 0.00 H new ATOM 0 HG SER A 54 6.551 -12.134 -5.701 1.00 0.00 H new ATOM 495 N ASP A 55 2.704 -13.441 -3.024 1.00 0.00 N ATOM 496 CA ASP A 55 1.603 -14.338 -2.682 1.00 0.00 C ATOM 497 C ASP A 55 0.532 -13.577 -1.916 1.00 0.00 C ATOM 498 O ASP A 55 -0.662 -13.713 -2.187 1.00 0.00 O ATOM 499 CB ASP A 55 2.096 -15.509 -1.826 1.00 0.00 C ATOM 500 CG ASP A 55 3.246 -16.266 -2.456 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.998 -17.181 -3.266 1.00 0.00 O ATOM 502 OD2 ASP A 55 4.409 -15.958 -2.132 1.00 0.00 O ATOM 0 H ASP A 55 3.603 -13.710 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 55 1.187 -14.730 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.408 -15.132 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.269 -16.197 -1.652 1.00 0.00 H new ATOM 507 N LEU A 56 0.979 -12.765 -0.963 1.00 0.00 N ATOM 508 CA LEU A 56 0.078 -11.947 -0.163 1.00 0.00 C ATOM 509 C LEU A 56 -0.734 -11.013 -1.056 1.00 0.00 C ATOM 510 O LEU A 56 -1.962 -10.974 -0.973 1.00 0.00 O ATOM 511 CB LEU A 56 0.873 -11.136 0.865 1.00 0.00 C ATOM 512 CG LEU A 56 0.038 -10.228 1.772 1.00 0.00 C ATOM 513 CD1 LEU A 56 -0.945 -11.046 2.596 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.943 -9.408 2.680 1.00 0.00 C ATOM 0 H LEU A 56 1.965 -12.657 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.611 -12.607 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.437 -11.828 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.600 -10.522 0.334 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.532 -9.545 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.528 -10.381 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.615 -11.589 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.398 -11.755 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.334 -8.768 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.539 -10.077 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.605 -8.791 2.073 1.00 0.00 H new ATOM 526 N ARG A 57 -0.042 -10.281 -1.923 1.00 0.00 N ATOM 527 CA ARG A 57 -0.696 -9.337 -2.818 1.00 0.00 C ATOM 528 C ARG A 57 -1.666 -10.048 -3.760 1.00 0.00 C ATOM 529 O ARG A 57 -2.777 -9.567 -3.992 1.00 0.00 O ATOM 530 CB ARG A 57 0.344 -8.538 -3.614 1.00 0.00 C ATOM 531 CG ARG A 57 -0.270 -7.653 -4.687 1.00 0.00 C ATOM 532 CD ARG A 57 0.730 -6.661 -5.271 1.00 0.00 C ATOM 533 NE ARG A 57 1.949 -7.294 -5.787 1.00 0.00 N ATOM 534 CZ ARG A 57 1.997 -8.113 -6.842 1.00 0.00 C ATOM 535 NH1 ARG A 57 0.889 -8.449 -7.494 1.00 0.00 N ATOM 536 NH2 ARG A 57 3.168 -8.574 -7.263 1.00 0.00 N ATOM 0 H ARG A 57 0.972 -10.324 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.273 -8.642 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.919 -7.918 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.044 -9.230 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.665 -8.279 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.113 -7.107 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.250 -6.105 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.003 -5.938 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 57 2.825 -7.094 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.013 -8.081 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.940 -9.075 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.026 -8.303 -6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.210 -9.199 -8.068 1.00 0.00 H new ATOM 550 N GLU A 58 -1.254 -11.201 -4.284 1.00 0.00 N ATOM 551 CA GLU A 58 -2.096 -11.962 -5.201 1.00 0.00 C ATOM 552 C GLU A 58 -3.386 -12.399 -4.520 1.00 0.00 C ATOM 553 O GLU A 58 -4.472 -12.239 -5.075 1.00 0.00 O ATOM 554 CB GLU A 58 -1.363 -13.194 -5.736 1.00 0.00 C ATOM 555 CG GLU A 58 -2.188 -13.977 -6.744 1.00 0.00 C ATOM 556 CD GLU A 58 -1.520 -15.255 -7.193 1.00 0.00 C ATOM 557 OE1 GLU A 58 -0.624 -15.188 -8.059 1.00 0.00 O ATOM 558 OE2 GLU A 58 -1.898 -16.332 -6.692 1.00 0.00 O ATOM 0 H GLU A 58 -0.347 -11.626 -4.090 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.337 -11.305 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.429 -12.882 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.101 -13.846 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.157 -14.216 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.379 -13.349 -7.614 1.00 0.00 H new ATOM 565 N LYS A 59 -3.263 -12.937 -3.311 1.00 0.00 N ATOM 566 CA LYS A 59 -4.414 -13.443 -2.579 1.00 0.00 C ATOM 567 C LYS A 59 -5.366 -12.304 -2.232 1.00 0.00 C ATOM 568 O LYS A 59 -6.585 -12.455 -2.303 1.00 0.00 O ATOM 569 CB LYS A 59 -3.949 -14.172 -1.314 1.00 0.00 C ATOM 570 CG LYS A 59 -5.066 -14.858 -0.537 1.00 0.00 C ATOM 571 CD LYS A 59 -5.849 -15.842 -1.398 1.00 0.00 C ATOM 572 CE LYS A 59 -4.947 -16.882 -2.047 1.00 0.00 C ATOM 573 NZ LYS A 59 -5.726 -17.863 -2.844 1.00 0.00 N ATOM 0 H LYS A 59 -2.375 -13.033 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.952 -14.152 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.205 -14.918 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.453 -13.456 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.641 -15.385 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.746 -14.104 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.597 -16.344 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.387 -15.296 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.222 -16.384 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.382 -17.406 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.184 -18.131 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.911 -18.709 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.630 -17.437 -3.132 1.00 0.00 H new ATOM 587 N LEU A 60 -4.801 -11.160 -1.875 1.00 0.00 N ATOM 588 CA LEU A 60 -5.594 -9.975 -1.582 1.00 0.00 C ATOM 589 C LEU A 60 -6.342 -9.507 -2.829 1.00 0.00 C ATOM 590 O LEU A 60 -7.532 -9.201 -2.773 1.00 0.00 O ATOM 591 CB LEU A 60 -4.700 -8.853 -1.059 1.00 0.00 C ATOM 592 CG LEU A 60 -4.063 -9.107 0.308 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.035 -8.033 0.622 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.126 -9.153 1.394 1.00 0.00 C ATOM 0 H LEU A 60 -3.794 -11.027 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.323 -10.233 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.906 -8.676 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.289 -7.938 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.559 -10.073 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.591 -8.228 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.255 -8.042 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.520 -7.057 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.653 -9.335 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.657 -8.202 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.831 -9.956 1.179 1.00 0.00 H new ATOM 606 N SER A 61 -5.638 -9.469 -3.955 1.00 0.00 N ATOM 607 CA SER A 61 -6.231 -9.048 -5.217 1.00 0.00 C ATOM 608 C SER A 61 -7.307 -10.042 -5.658 1.00 0.00 C ATOM 609 O SER A 61 -8.342 -9.655 -6.206 1.00 0.00 O ATOM 610 CB SER A 61 -5.142 -8.922 -6.289 1.00 0.00 C ATOM 611 OG SER A 61 -5.663 -8.403 -7.502 1.00 0.00 O ATOM 0 H SER A 61 -4.653 -9.726 -4.018 1.00 0.00 H new ATOM 0 HA SER A 61 -6.702 -8.074 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.346 -8.271 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.696 -9.899 -6.472 1.00 0.00 H new ATOM 0 HG SER A 61 -5.694 -7.425 -7.453 1.00 0.00 H new ATOM 617 N GLU A 62 -7.053 -11.320 -5.395 1.00 0.00 N ATOM 618 CA GLU A 62 -7.985 -12.389 -5.730 1.00 0.00 C ATOM 619 C GLU A 62 -9.307 -12.205 -4.989 1.00 0.00 C ATOM 620 O GLU A 62 -10.382 -12.247 -5.589 1.00 0.00 O ATOM 621 CB GLU A 62 -7.360 -13.741 -5.372 1.00 0.00 C ATOM 622 CG GLU A 62 -8.225 -14.943 -5.710 1.00 0.00 C ATOM 623 CD GLU A 62 -7.571 -16.249 -5.305 1.00 0.00 C ATOM 624 OE1 GLU A 62 -6.793 -16.804 -6.104 1.00 0.00 O ATOM 625 OE2 GLU A 62 -7.824 -16.726 -4.179 1.00 0.00 O ATOM 0 H GLU A 62 -6.197 -11.643 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.190 -12.357 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.408 -13.836 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.142 -13.755 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.188 -14.849 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.425 -14.955 -6.781 1.00 0.00 H new ATOM 632 N LEU A 63 -9.218 -11.982 -3.683 1.00 0.00 N ATOM 633 CA LEU A 63 -10.404 -11.812 -2.856 1.00 0.00 C ATOM 634 C LEU A 63 -11.102 -10.491 -3.164 1.00 0.00 C ATOM 635 O LEU A 63 -12.330 -10.407 -3.132 1.00 0.00 O ATOM 636 CB LEU A 63 -10.038 -11.889 -1.373 1.00 0.00 C ATOM 637 CG LEU A 63 -9.468 -13.233 -0.910 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.136 -13.183 0.572 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.447 -14.361 -1.201 1.00 0.00 C ATOM 0 H LEU A 63 -8.336 -11.915 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.095 -12.622 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.309 -11.109 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.928 -11.668 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.550 -13.428 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.732 -14.145 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.397 -12.402 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.040 -12.966 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.023 -15.307 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.383 -14.175 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.637 -14.410 -2.273 1.00 0.00 H new ATOM 651 N ALA A 64 -10.315 -9.463 -3.473 1.00 0.00 N ATOM 652 CA ALA A 64 -10.867 -8.165 -3.844 1.00 0.00 C ATOM 653 C ALA A 64 -11.687 -8.277 -5.124 1.00 0.00 C ATOM 654 O ALA A 64 -12.745 -7.659 -5.254 1.00 0.00 O ATOM 655 CB ALA A 64 -9.759 -7.137 -4.011 1.00 0.00 C ATOM 0 H ALA A 64 -9.296 -9.505 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.525 -7.833 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.193 -6.176 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.215 -7.033 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.074 -7.464 -4.793 1.00 0.00 H new ATOM 661 N ASP A 65 -11.198 -9.084 -6.062 1.00 0.00 N ATOM 662 CA ASP A 65 -11.918 -9.341 -7.308 1.00 0.00 C ATOM 663 C ASP A 65 -13.207 -10.103 -7.030 1.00 0.00 C ATOM 664 O ASP A 65 -14.238 -9.852 -7.657 1.00 0.00 O ATOM 665 CB ASP A 65 -11.040 -10.138 -8.280 1.00 0.00 C ATOM 666 CG ASP A 65 -11.792 -10.585 -9.522 1.00 0.00 C ATOM 667 OD1 ASP A 65 -12.078 -9.734 -10.389 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.093 -11.796 -9.637 1.00 0.00 O ATOM 0 H ASP A 65 -10.306 -9.572 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.166 -8.382 -7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.188 -9.527 -8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.641 -11.013 -7.768 1.00 0.00 H new ATOM 673 N ALA A 66 -13.141 -11.021 -6.073 1.00 0.00 N ATOM 674 CA ALA A 66 -14.290 -11.834 -5.695 1.00 0.00 C ATOM 675 C ALA A 66 -15.419 -10.980 -5.123 1.00 0.00 C ATOM 676 O ALA A 66 -16.597 -11.256 -5.356 1.00 0.00 O ATOM 677 CB ALA A 66 -13.873 -12.899 -4.691 1.00 0.00 C ATOM 0 H ALA A 66 -12.295 -11.222 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.665 -12.319 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.740 -13.500 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.113 -13.541 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.467 -12.420 -3.800 1.00 0.00 H new ATOM 683 N LYS A 67 -15.058 -9.948 -4.369 1.00 0.00 N ATOM 684 CA LYS A 67 -16.049 -9.052 -3.783 1.00 0.00 C ATOM 685 C LYS A 67 -16.450 -7.959 -4.768 1.00 0.00 C ATOM 686 O LYS A 67 -17.612 -7.555 -4.820 1.00 0.00 O ATOM 687 CB LYS A 67 -15.520 -8.437 -2.483 1.00 0.00 C ATOM 688 CG LYS A 67 -15.431 -9.436 -1.339 1.00 0.00 C ATOM 689 CD LYS A 67 -16.804 -9.988 -0.986 1.00 0.00 C ATOM 690 CE LYS A 67 -16.721 -11.119 0.027 1.00 0.00 C ATOM 691 NZ LYS A 67 -16.160 -10.675 1.330 1.00 0.00 N ATOM 0 H LYS A 67 -14.090 -9.711 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.937 -9.640 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.532 -8.014 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.170 -7.613 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.767 -10.254 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.993 -8.954 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.424 -9.187 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.294 -10.347 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.716 -11.534 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.102 -11.920 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.140 -11.478 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.193 -10.319 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.754 -9.917 1.724 1.00 0.00 H new ATOM 705 N GLY A 68 -15.491 -7.489 -5.551 1.00 0.00 N ATOM 706 CA GLY A 68 -15.787 -6.493 -6.559 1.00 0.00 C ATOM 707 C GLY A 68 -15.255 -5.123 -6.198 1.00 0.00 C ATOM 708 O GLY A 68 -16.018 -4.159 -6.094 1.00 0.00 O ATOM 0 H GLY A 68 -14.514 -7.779 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.358 -6.806 -7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.866 -6.434 -6.700 1.00 0.00 H new ATOM 712 N GLY A 69 -13.947 -5.037 -6.001 1.00 0.00 N ATOM 713 CA GLY A 69 -13.319 -3.770 -5.695 1.00 0.00 C ATOM 714 C GLY A 69 -11.957 -3.649 -6.348 1.00 0.00 C ATOM 715 O GLY A 69 -11.256 -4.647 -6.507 1.00 0.00 O ATOM 0 H GLY A 69 -13.306 -5.829 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.959 -2.955 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.216 -3.666 -4.615 1.00 0.00 H new ATOM 719 N LYS A 70 -11.585 -2.434 -6.730 1.00 0.00 N ATOM 720 CA LYS A 70 -10.303 -2.202 -7.388 1.00 0.00 C ATOM 721 C LYS A 70 -9.206 -1.984 -6.359 1.00 0.00 C ATOM 722 O LYS A 70 -8.041 -2.320 -6.587 1.00 0.00 O ATOM 723 CB LYS A 70 -10.364 -0.970 -8.294 1.00 0.00 C ATOM 724 CG LYS A 70 -11.440 -1.013 -9.363 1.00 0.00 C ATOM 725 CD LYS A 70 -11.307 0.183 -10.291 1.00 0.00 C ATOM 726 CE LYS A 70 -12.443 0.266 -11.295 1.00 0.00 C ATOM 727 NZ LYS A 70 -12.220 1.366 -12.268 1.00 0.00 N ATOM 0 H LYS A 70 -12.150 -1.595 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.083 -3.085 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.525 -0.089 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.396 -0.846 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.358 -1.937 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.426 -1.013 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.282 1.098 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.358 0.122 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.532 -0.681 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.385 0.426 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.012 1.399 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.159 2.272 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.333 1.198 -12.784 1.00 0.00 H new ATOM 741 N TYR A 71 -9.587 -1.411 -5.230 1.00 0.00 N ATOM 742 CA TYR A 71 -8.633 -1.030 -4.208 1.00 0.00 C ATOM 743 C TYR A 71 -8.900 -1.814 -2.936 1.00 0.00 C ATOM 744 O TYR A 71 -10.016 -2.273 -2.702 1.00 0.00 O ATOM 745 CB TYR A 71 -8.737 0.472 -3.909 1.00 0.00 C ATOM 746 CG TYR A 71 -8.912 1.343 -5.136 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.844 1.625 -5.979 1.00 0.00 C ATOM 748 CD2 TYR A 71 -10.152 1.891 -5.443 1.00 0.00 C ATOM 749 CE1 TYR A 71 -8.009 2.425 -7.096 1.00 0.00 C ATOM 750 CE2 TYR A 71 -10.324 2.691 -6.557 1.00 0.00 C ATOM 751 CZ TYR A 71 -9.252 2.955 -7.379 1.00 0.00 C ATOM 752 OH TYR A 71 -9.422 3.755 -8.488 1.00 0.00 O ATOM 0 H TYR A 71 -10.558 -1.199 -4.999 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.630 -1.251 -4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.579 0.639 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.838 0.788 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.870 1.213 -5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.996 1.688 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.170 2.634 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.295 3.107 -6.781 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.357 4.044 -8.542 1.00 0.00 H new ATOM 762 N TYR A 72 -7.876 -1.980 -2.127 1.00 0.00 N ATOM 763 CA TYR A 72 -8.027 -2.594 -0.821 1.00 0.00 C ATOM 764 C TYR A 72 -6.910 -2.123 0.090 1.00 0.00 C ATOM 765 O TYR A 72 -5.942 -1.524 -0.374 1.00 0.00 O ATOM 766 CB TYR A 72 -8.028 -4.129 -0.925 1.00 0.00 C ATOM 767 CG TYR A 72 -6.797 -4.713 -1.588 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.636 -4.949 -0.862 1.00 0.00 C ATOM 769 CD2 TYR A 72 -6.799 -5.031 -2.940 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.514 -5.483 -1.465 1.00 0.00 C ATOM 771 CE2 TYR A 72 -5.680 -5.566 -3.548 1.00 0.00 C ATOM 772 CZ TYR A 72 -4.541 -5.789 -2.808 1.00 0.00 C ATOM 773 OH TYR A 72 -3.424 -6.321 -3.410 1.00 0.00 O ATOM 0 H TYR A 72 -6.922 -1.697 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.987 -2.292 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.120 -4.549 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.910 -4.442 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.611 -4.711 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.690 -4.857 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.619 -5.660 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.699 -5.808 -4.600 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.609 -6.481 -4.359 1.00 0.00 H new ATOM 783 N HIS A 73 -7.058 -2.346 1.383 1.00 0.00 N ATOM 784 CA HIS A 73 -5.983 -2.063 2.314 1.00 0.00 C ATOM 785 C HIS A 73 -6.063 -2.981 3.518 1.00 0.00 C ATOM 786 O HIS A 73 -7.129 -3.141 4.109 1.00 0.00 O ATOM 787 CB HIS A 73 -6.018 -0.606 2.778 1.00 0.00 C ATOM 788 CG HIS A 73 -4.814 -0.228 3.582 1.00 0.00 C ATOM 789 ND1 HIS A 73 -4.870 0.147 4.907 1.00 0.00 N ATOM 790 CD2 HIS A 73 -3.506 -0.187 3.236 1.00 0.00 C ATOM 791 CE1 HIS A 73 -3.648 0.400 5.339 1.00 0.00 C ATOM 792 NE2 HIS A 73 -2.800 0.204 4.344 1.00 0.00 N ATOM 0 H HIS A 73 -7.906 -2.720 1.809 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.043 -2.238 1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.089 0.047 1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.915 -0.440 3.374 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.721 0.218 5.465 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.094 -0.420 2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.385 0.714 6.338 1.00 0.00 H new ATOM 801 N ILE A 74 -4.937 -3.583 3.873 1.00 0.00 N ATOM 802 CA ILE A 74 -4.855 -4.372 5.092 1.00 0.00 C ATOM 803 C ILE A 74 -5.000 -3.456 6.301 1.00 0.00 C ATOM 804 O ILE A 74 -4.118 -2.646 6.583 1.00 0.00 O ATOM 805 CB ILE A 74 -3.516 -5.135 5.192 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.309 -6.016 3.955 1.00 0.00 C ATOM 807 CG2 ILE A 74 -3.482 -5.982 6.458 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.983 -6.746 3.949 1.00 0.00 C ATOM 0 H ILE A 74 -4.071 -3.540 3.336 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.662 -5.105 5.069 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.705 -4.408 5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.117 -6.746 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.377 -5.396 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.532 -6.514 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.589 -5.337 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.300 -6.702 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.904 -7.350 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.169 -6.022 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.920 -7.393 4.824 1.00 0.00 H new ATOM 820 N ILE A 75 -6.124 -3.565 6.990 1.00 0.00 N ATOM 821 CA ILE A 75 -6.391 -2.718 8.144 1.00 0.00 C ATOM 822 C ILE A 75 -5.861 -3.356 9.421 1.00 0.00 C ATOM 823 O ILE A 75 -5.581 -2.664 10.399 1.00 0.00 O ATOM 824 CB ILE A 75 -7.897 -2.403 8.293 1.00 0.00 C ATOM 825 CG1 ILE A 75 -8.739 -3.683 8.215 1.00 0.00 C ATOM 826 CG2 ILE A 75 -8.332 -1.410 7.225 1.00 0.00 C ATOM 827 CD1 ILE A 75 -10.209 -3.462 8.500 1.00 0.00 C ATOM 0 H ILE A 75 -6.866 -4.230 6.772 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.868 -1.777 7.976 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.058 -1.957 9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.632 -4.118 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.345 -4.410 8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.394 -1.195 7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.762 -0.487 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.152 -1.835 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.741 -4.411 8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.328 -3.056 9.505 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.619 -2.760 7.774 1.00 0.00 H new ATOM 839 N ALA A 76 -5.712 -4.674 9.400 1.00 0.00 N ATOM 840 CA ALA A 76 -5.176 -5.401 10.543 1.00 0.00 C ATOM 841 C ALA A 76 -4.678 -6.774 10.117 1.00 0.00 C ATOM 842 O ALA A 76 -5.344 -7.470 9.355 1.00 0.00 O ATOM 843 CB ALA A 76 -6.234 -5.539 11.631 1.00 0.00 C ATOM 0 H ALA A 76 -5.955 -5.262 8.603 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.335 -4.836 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.817 -6.085 12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.551 -4.549 11.958 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.093 -6.083 11.237 1.00 0.00 H new ATOM 849 N ALA A 77 -3.509 -7.165 10.605 1.00 0.00 N ATOM 850 CA ALA A 77 -2.942 -8.465 10.277 1.00 0.00 C ATOM 851 C ALA A 77 -1.981 -8.924 11.362 1.00 0.00 C ATOM 852 O ALA A 77 -1.344 -8.102 12.022 1.00 0.00 O ATOM 853 CB ALA A 77 -2.230 -8.414 8.933 1.00 0.00 C ATOM 0 H ALA A 77 -2.934 -6.600 11.230 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.759 -9.183 10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.813 -9.395 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.940 -8.132 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.427 -7.679 8.975 1.00 0.00 H new ATOM 859 N ARG A 78 -1.893 -10.236 11.553 1.00 0.00 N ATOM 860 CA ARG A 78 -0.936 -10.813 12.490 1.00 0.00 C ATOM 861 C ARG A 78 -0.637 -12.259 12.114 1.00 0.00 C ATOM 862 O ARG A 78 -1.425 -12.910 11.422 1.00 0.00 O ATOM 863 CB ARG A 78 -1.443 -10.749 13.942 1.00 0.00 C ATOM 864 CG ARG A 78 -2.436 -11.844 14.327 1.00 0.00 C ATOM 865 CD ARG A 78 -3.831 -11.575 13.787 1.00 0.00 C ATOM 866 NE ARG A 78 -4.368 -10.312 14.280 1.00 0.00 N ATOM 867 CZ ARG A 78 -5.081 -10.183 15.400 1.00 0.00 C ATOM 868 NH1 ARG A 78 -5.374 -11.247 16.139 1.00 0.00 N ATOM 869 NH2 ARG A 78 -5.509 -8.985 15.771 1.00 0.00 N ATOM 0 H ARG A 78 -2.474 -10.921 11.070 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.023 -10.221 12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.586 -10.804 14.613 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.913 -9.779 14.105 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.081 -12.802 13.948 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.479 -11.927 15.413 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.802 -11.557 12.698 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.496 -12.390 14.075 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.186 -9.471 13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.053 -12.172 15.852 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.920 -11.139 16.994 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.293 -8.167 15.201 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.055 -8.881 16.626 1.00 0.00 H new ATOM 883 N GLU A 79 0.503 -12.754 12.568 1.00 0.00 N ATOM 884 CA GLU A 79 0.887 -14.133 12.323 1.00 0.00 C ATOM 885 C GLU A 79 0.701 -14.949 13.596 1.00 0.00 C ATOM 886 O GLU A 79 1.508 -14.865 14.523 1.00 0.00 O ATOM 887 CB GLU A 79 2.337 -14.197 11.845 1.00 0.00 C ATOM 888 CG GLU A 79 2.774 -15.570 11.363 1.00 0.00 C ATOM 889 CD GLU A 79 4.164 -15.545 10.767 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.305 -15.144 9.593 1.00 0.00 O ATOM 891 OE2 GLU A 79 5.130 -15.899 11.472 1.00 0.00 O ATOM 0 H GLU A 79 1.181 -12.218 13.110 1.00 0.00 H new ATOM 0 HA GLU A 79 0.252 -14.553 11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.473 -13.480 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.990 -13.885 12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.750 -16.272 12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.067 -15.935 10.618 1.00 0.00 H new ATOM 898 N HIS A 80 -0.377 -15.717 13.645 1.00 0.00 N ATOM 899 CA HIS A 80 -0.697 -16.510 14.824 1.00 0.00 C ATOM 900 C HIS A 80 -0.366 -17.974 14.563 1.00 0.00 C ATOM 901 O HIS A 80 -1.248 -18.790 14.285 1.00 0.00 O ATOM 902 CB HIS A 80 -2.179 -16.335 15.196 1.00 0.00 C ATOM 903 CG HIS A 80 -2.590 -17.023 16.467 1.00 0.00 C ATOM 904 ND1 HIS A 80 -2.624 -16.392 17.691 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.006 -18.293 16.693 1.00 0.00 C ATOM 906 CE1 HIS A 80 -3.039 -17.243 18.611 1.00 0.00 C ATOM 907 NE2 HIS A 80 -3.278 -18.405 18.032 1.00 0.00 N ATOM 0 H HIS A 80 -1.047 -15.808 12.881 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.097 -16.165 15.666 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.394 -15.270 15.289 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.792 -16.714 14.378 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.105 -19.074 15.954 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.162 -17.025 19.662 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.610 -19.247 18.503 1.00 0.00 H new ATOM 916 N GLY A 81 0.920 -18.289 14.603 1.00 0.00 N ATOM 917 CA GLY A 81 1.352 -19.644 14.346 1.00 0.00 C ATOM 918 C GLY A 81 1.259 -19.979 12.874 1.00 0.00 C ATOM 919 O GLY A 81 1.757 -19.228 12.035 1.00 0.00 O ATOM 0 H GLY A 81 1.671 -17.630 14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.380 -19.771 14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.738 -20.339 14.919 1.00 0.00 H new ATOM 923 N PRO A 82 0.611 -21.101 12.532 1.00 0.00 N ATOM 924 CA PRO A 82 0.352 -21.472 11.142 1.00 0.00 C ATOM 925 C PRO A 82 -0.785 -20.645 10.549 1.00 0.00 C ATOM 926 O PRO A 82 -0.945 -20.564 9.331 1.00 0.00 O ATOM 927 CB PRO A 82 -0.055 -22.953 11.221 1.00 0.00 C ATOM 928 CG PRO A 82 0.159 -23.366 12.643 1.00 0.00 C ATOM 929 CD PRO A 82 0.095 -22.110 13.462 1.00 0.00 C ATOM 0 HA PRO A 82 1.218 -21.298 10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.096 -23.087 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.547 -23.559 10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.605 -24.076 12.960 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.123 -23.860 12.763 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.922 -21.885 13.782 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.704 -22.181 14.363 1.00 0.00 H new ATOM 937 N ASN A 83 -1.572 -20.027 11.426 1.00 0.00 N ATOM 938 CA ASN A 83 -2.708 -19.227 10.993 1.00 0.00 C ATOM 939 C ASN A 83 -2.293 -17.790 10.735 1.00 0.00 C ATOM 940 O ASN A 83 -2.065 -17.011 11.664 1.00 0.00 O ATOM 941 CB ASN A 83 -3.829 -19.254 12.035 1.00 0.00 C ATOM 942 CG ASN A 83 -4.659 -20.518 11.975 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.349 -21.515 12.626 1.00 0.00 O ATOM 944 ND2 ASN A 83 -5.734 -20.484 11.197 1.00 0.00 N ATOM 0 H ASN A 83 -1.442 -20.066 12.437 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.077 -19.663 10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.395 -19.157 13.030 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.478 -18.392 11.885 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.336 -21.304 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.958 -19.638 10.673 1.00 0.00 H new ATOM 951 N PHE A 84 -2.187 -17.448 9.467 1.00 0.00 N ATOM 952 CA PHE A 84 -1.916 -16.082 9.070 1.00 0.00 C ATOM 953 C PHE A 84 -3.235 -15.364 8.831 1.00 0.00 C ATOM 954 O PHE A 84 -3.988 -15.739 7.937 1.00 0.00 O ATOM 955 CB PHE A 84 -1.047 -16.055 7.809 1.00 0.00 C ATOM 956 CG PHE A 84 -0.746 -14.670 7.310 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.105 -13.834 8.014 1.00 0.00 C ATOM 958 CD2 PHE A 84 -1.319 -14.206 6.137 1.00 0.00 C ATOM 959 CE1 PHE A 84 0.379 -12.560 7.557 1.00 0.00 C ATOM 960 CE2 PHE A 84 -1.048 -12.933 5.675 1.00 0.00 C ATOM 961 CZ PHE A 84 -0.197 -12.108 6.386 1.00 0.00 C ATOM 0 H PHE A 84 -2.285 -18.102 8.690 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.369 -15.573 9.863 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.108 -16.569 8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.550 -16.614 7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.559 -14.182 8.930 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.985 -14.847 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.044 -11.917 8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.501 -12.583 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.017 -11.112 6.027 1.00 0.00 H new ATOM 971 N GLU A 85 -3.518 -14.357 9.647 1.00 0.00 N ATOM 972 CA GLU A 85 -4.767 -13.614 9.545 1.00 0.00 C ATOM 973 C GLU A 85 -4.509 -12.206 9.024 1.00 0.00 C ATOM 974 O GLU A 85 -3.933 -11.370 9.727 1.00 0.00 O ATOM 975 CB GLU A 85 -5.460 -13.527 10.909 1.00 0.00 C ATOM 976 CG GLU A 85 -5.846 -14.872 11.504 1.00 0.00 C ATOM 977 CD GLU A 85 -6.909 -15.597 10.702 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.926 -14.961 10.332 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.752 -16.811 10.470 1.00 0.00 O ATOM 0 H GLU A 85 -2.897 -14.035 10.389 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.415 -14.145 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.800 -13.011 11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.358 -12.917 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.958 -15.501 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.207 -14.722 12.521 1.00 0.00 H new ATOM 986 N ALA A 86 -4.914 -11.954 7.792 1.00 0.00 N ATOM 987 CA ALA A 86 -4.785 -10.632 7.201 1.00 0.00 C ATOM 988 C ALA A 86 -6.154 -10.081 6.825 1.00 0.00 C ATOM 989 O ALA A 86 -6.806 -10.587 5.915 1.00 0.00 O ATOM 990 CB ALA A 86 -3.875 -10.680 5.984 1.00 0.00 C ATOM 0 H ALA A 86 -5.337 -12.650 7.178 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.337 -9.966 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.790 -9.682 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.888 -11.033 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.295 -11.360 5.243 1.00 0.00 H new ATOM 996 N VAL A 87 -6.589 -9.054 7.535 1.00 0.00 N ATOM 997 CA VAL A 87 -7.886 -8.447 7.283 1.00 0.00 C ATOM 998 C VAL A 87 -7.725 -7.186 6.441 1.00 0.00 C ATOM 999 O VAL A 87 -7.059 -6.230 6.853 1.00 0.00 O ATOM 1000 CB VAL A 87 -8.608 -8.097 8.603 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.995 -7.530 8.331 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -8.697 -9.317 9.509 1.00 0.00 C ATOM 0 H VAL A 87 -6.061 -8.621 8.293 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.491 -9.173 6.740 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.023 -7.332 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.482 -7.292 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.907 -6.625 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.590 -8.267 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.209 -9.048 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.253 -10.106 9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.693 -9.672 9.741 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.328 -7.191 5.264 1.00 0.00 N ATOM 1013 CA ALA A 88 -8.247 -6.062 4.356 1.00 0.00 C ATOM 1014 C ALA A 88 -9.633 -5.527 4.029 1.00 0.00 C ATOM 1015 O ALA A 88 -10.607 -6.278 3.974 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.519 -6.461 3.080 1.00 0.00 C ATOM 0 H ALA A 88 -8.883 -7.972 4.914 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.684 -5.269 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.466 -5.604 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.510 -6.793 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.059 -7.272 2.591 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.716 -4.228 3.817 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.975 -3.580 3.500 1.00 0.00 C ATOM 1024 C GLU A 89 -11.039 -3.307 1.997 1.00 0.00 C ATOM 1025 O GLU A 89 -10.073 -2.806 1.417 1.00 0.00 O ATOM 1026 CB GLU A 89 -11.093 -2.278 4.296 1.00 0.00 C ATOM 1027 CG GLU A 89 -12.489 -1.699 4.334 1.00 0.00 C ATOM 1028 CD GLU A 89 -13.451 -2.570 5.108 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -14.048 -3.480 4.509 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -13.632 -2.334 6.319 1.00 0.00 O ATOM 0 H GLU A 89 -8.918 -3.594 3.859 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.808 -4.228 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.759 -2.458 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.417 -1.539 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.456 -0.708 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.856 -1.573 3.315 1.00 0.00 H new ATOM 1037 N VAL A 90 -12.161 -3.647 1.373 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.296 -3.547 -0.080 1.00 0.00 C ATOM 1039 C VAL A 90 -12.938 -2.225 -0.488 1.00 0.00 C ATOM 1040 O VAL A 90 -14.005 -1.858 0.012 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.141 -4.708 -0.649 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.204 -4.642 -2.168 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.589 -6.046 -0.194 1.00 0.00 C ATOM 0 H VAL A 90 -12.993 -3.995 1.849 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.288 -3.601 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.156 -4.607 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.805 -5.470 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.656 -3.698 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.196 -4.710 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.199 -6.850 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.562 -6.154 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.609 -6.097 0.895 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.289 -1.526 -1.408 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.785 -0.254 -1.905 1.00 0.00 C ATOM 1055 C TYR A 91 -12.881 -0.271 -3.426 1.00 0.00 C ATOM 1056 O TYR A 91 -12.097 -0.933 -4.106 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.870 0.892 -1.463 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.821 1.103 0.033 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.713 1.964 0.661 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.880 0.448 0.817 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.668 2.166 2.028 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -10.830 0.644 2.185 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.726 1.504 2.784 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.675 1.704 4.147 1.00 0.00 O ATOM 0 H TYR A 91 -11.409 -1.824 -1.828 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.780 -0.097 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.860 0.696 -1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.205 1.814 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.454 2.484 0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.176 -0.225 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.368 2.839 2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.093 0.126 2.781 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.955 1.162 4.530 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.848 0.448 -3.955 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.996 0.588 -5.393 1.00 0.00 C ATOM 1076 C ASN A 92 -13.925 2.067 -5.758 1.00 0.00 C ATOM 1077 O ASN A 92 -13.687 2.912 -4.890 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.327 -0.018 -5.857 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.285 -0.528 -7.289 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -14.523 -0.037 -8.125 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.104 -1.525 -7.581 1.00 0.00 N ATOM 0 H ASN A 92 -14.549 0.949 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.191 0.052 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.596 -0.840 -5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.112 0.733 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.119 -1.913 -8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.720 -1.906 -6.863 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.121 2.375 -7.031 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.105 3.754 -7.497 1.00 0.00 C ATOM 1090 C ASP A 93 -15.319 4.495 -6.943 1.00 0.00 C ATOM 1091 O ASP A 93 -16.266 3.870 -6.466 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.105 3.795 -9.027 1.00 0.00 C ATOM 1093 CG ASP A 93 -13.731 5.158 -9.576 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -14.626 6.010 -9.735 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -12.534 5.381 -9.851 1.00 0.00 O ATOM 0 H ASP A 93 -14.294 1.686 -7.763 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.198 4.243 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.405 3.051 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.094 3.519 -9.394 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.300 5.818 -7.013 1.00 0.00 N ATOM 1101 CA ALA A 94 -16.361 6.622 -6.428 1.00 0.00 C ATOM 1102 C ALA A 94 -17.599 6.640 -7.314 1.00 0.00 C ATOM 1103 O ALA A 94 -18.655 7.136 -6.912 1.00 0.00 O ATOM 1104 CB ALA A 94 -15.874 8.033 -6.157 1.00 0.00 C ATOM 0 H ALA A 94 -14.563 6.356 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.641 6.164 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.682 8.619 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.033 8.001 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.557 8.494 -7.092 1.00 0.00 H new ATOM 1290 N ALA B 22 7.820 0.086 -8.431 1.00 0.00 N ATOM 1291 CA ALA B 22 7.837 -0.093 -6.964 1.00 0.00 C ATOM 1292 C ALA B 22 6.412 -0.142 -6.434 1.00 0.00 C ATOM 1293 O ALA B 22 5.560 0.622 -6.879 1.00 0.00 O ATOM 1294 CB ALA B 22 8.615 1.033 -6.300 1.00 0.00 C ATOM 0 HA ALA B 22 8.333 -1.034 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.618 0.886 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.641 1.033 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.145 1.988 -6.535 1.00 0.00 H new ATOM 1302 N GLU B 23 6.154 -1.038 -5.491 1.00 0.00 N ATOM 1303 CA GLU B 23 4.805 -1.218 -4.975 1.00 0.00 C ATOM 1304 C GLU B 23 4.666 -0.627 -3.576 1.00 0.00 C ATOM 1305 O GLU B 23 5.648 -0.473 -2.847 1.00 0.00 O ATOM 1306 CB GLU B 23 4.422 -2.700 -4.966 1.00 0.00 C ATOM 1307 CG GLU B 23 4.576 -3.366 -6.323 1.00 0.00 C ATOM 1308 CD GLU B 23 3.839 -4.686 -6.427 1.00 0.00 C ATOM 1309 OE1 GLU B 23 4.268 -5.672 -5.791 1.00 0.00 O ATOM 1310 OE2 GLU B 23 2.831 -4.742 -7.166 1.00 0.00 O ATOM 0 H GLU B 23 6.856 -1.647 -5.071 1.00 0.00 H new ATOM 0 HA GLU B 23 4.123 -0.686 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.042 -3.224 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU B 23 3.388 -2.800 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU B 23 4.209 -2.691 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU B 23 5.635 -3.532 -6.521 1.00 0.00 H new ATOM 1317 N GLN B 24 3.435 -0.298 -3.217 1.00 0.00 N ATOM 1318 CA GLN B 24 3.140 0.335 -1.940 1.00 0.00 C ATOM 1319 C GLN B 24 2.868 -0.716 -0.870 1.00 0.00 C ATOM 1320 O GLN B 24 2.090 -1.645 -1.092 1.00 0.00 O ATOM 1321 CB GLN B 24 1.929 1.255 -2.103 1.00 0.00 C ATOM 1322 CG GLN B 24 1.639 2.136 -0.901 1.00 0.00 C ATOM 1323 CD GLN B 24 0.532 3.131 -1.187 1.00 0.00 C ATOM 1324 OE1 GLN B 24 0.339 3.545 -2.328 1.00 0.00 O ATOM 1325 NE2 GLN B 24 -0.196 3.531 -0.160 1.00 0.00 N ATOM 0 H GLN B 24 2.614 -0.461 -3.800 1.00 0.00 H new ATOM 0 HA GLN B 24 4.002 0.922 -1.623 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.087 1.891 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.050 0.644 -2.310 1.00 0.00 H new ATOM 0 HG2 GLN B 24 1.357 1.512 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN B 24 2.545 2.672 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -0.006 3.165 0.773 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.948 4.206 -0.300 1.00 0.00 H new ATOM 1334 N VAL B 25 3.514 -0.567 0.280 1.00 0.00 N ATOM 1335 CA VAL B 25 3.349 -1.508 1.385 1.00 0.00 C ATOM 1336 C VAL B 25 2.976 -0.782 2.675 1.00 0.00 C ATOM 1337 O VAL B 25 3.235 0.418 2.826 1.00 0.00 O ATOM 1338 CB VAL B 25 4.630 -2.338 1.628 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.919 -3.250 0.445 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.820 -1.428 1.903 1.00 0.00 C ATOM 0 H VAL B 25 4.159 0.199 0.474 1.00 0.00 H new ATOM 0 HA VAL B 25 2.542 -2.183 1.100 1.00 0.00 H new ATOM 0 HB VAL B 25 4.464 -2.961 2.507 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.825 -3.823 0.640 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.082 -3.933 0.299 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.057 -2.648 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.710 -2.034 2.071 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.983 -0.773 1.047 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.620 -0.824 2.788 1.00 0.00 H new ATOM 1350 N SER B 26 2.365 -1.509 3.599 1.00 0.00 N ATOM 1351 CA SER B 26 1.992 -0.956 4.887 1.00 0.00 C ATOM 1352 C SER B 26 2.901 -1.502 5.988 1.00 0.00 C ATOM 1353 O SER B 26 3.768 -2.345 5.734 1.00 0.00 O ATOM 1354 CB SER B 26 0.530 -1.290 5.195 1.00 0.00 C ATOM 1355 OG SER B 26 -0.321 -0.879 4.138 1.00 0.00 O ATOM 0 H SER B 26 2.117 -2.491 3.476 1.00 0.00 H new ATOM 0 HA SER B 26 2.109 0.127 4.849 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.425 -2.363 5.354 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.229 -0.799 6.120 1.00 0.00 H new ATOM 0 HG SER B 26 -1.039 -0.316 4.496 1.00 0.00 H new ATOM 1361 N LYS B 27 2.687 -1.021 7.210 1.00 0.00 N ATOM 1362 CA LYS B 27 3.493 -1.417 8.361 1.00 0.00 C ATOM 1363 C LYS B 27 3.465 -2.931 8.567 1.00 0.00 C ATOM 1364 O LYS B 27 4.446 -3.524 9.024 1.00 0.00 O ATOM 1365 CB LYS B 27 2.975 -0.707 9.614 1.00 0.00 C ATOM 1366 CG LYS B 27 3.737 -1.052 10.882 1.00 0.00 C ATOM 1367 CD LYS B 27 3.141 -0.345 12.086 1.00 0.00 C ATOM 1368 CE LYS B 27 3.882 -0.691 13.364 1.00 0.00 C ATOM 1369 NZ LYS B 27 3.316 0.029 14.533 1.00 0.00 N ATOM 0 H LYS B 27 1.953 -0.348 7.430 1.00 0.00 H new ATOM 0 HA LYS B 27 4.527 -1.126 8.173 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.025 0.370 9.455 1.00 0.00 H new ATOM 0 HB3 LYS B 27 1.924 -0.961 9.754 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.715 -2.130 11.041 1.00 0.00 H new ATOM 0 HG3 LYS B 27 4.783 -0.768 10.770 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.173 0.733 11.927 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.092 -0.621 12.188 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.829 -1.766 13.537 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.936 -0.437 13.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.845 -0.230 15.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.389 1.055 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 2.316 -0.233 14.651 1.00 0.00 H new ATOM 1383 N GLN B 28 2.343 -3.547 8.210 1.00 0.00 N ATOM 1384 CA GLN B 28 2.170 -4.985 8.363 1.00 0.00 C ATOM 1385 C GLN B 28 3.218 -5.743 7.559 1.00 0.00 C ATOM 1386 O GLN B 28 3.829 -6.685 8.057 1.00 0.00 O ATOM 1387 CB GLN B 28 0.767 -5.425 7.917 1.00 0.00 C ATOM 1388 CG GLN B 28 -0.365 -4.978 8.836 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.615 -3.481 8.803 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -0.050 -2.725 9.593 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.460 -3.041 7.885 1.00 0.00 N ATOM 0 H GLN B 28 1.536 -3.068 7.810 1.00 0.00 H new ATOM 0 HA GLN B 28 2.292 -5.218 9.421 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.580 -5.035 6.917 1.00 0.00 H new ATOM 0 HB3 GLN B 28 0.749 -6.512 7.843 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -1.280 -5.498 8.552 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -0.133 -5.277 9.858 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.909 -3.699 7.248 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.663 -2.044 7.814 1.00 0.00 H new ATOM 1400 N GLU B 29 3.432 -5.319 6.321 1.00 0.00 N ATOM 1401 CA GLU B 29 4.371 -5.991 5.440 1.00 0.00 C ATOM 1402 C GLU B 29 5.806 -5.670 5.841 1.00 0.00 C ATOM 1403 O GLU B 29 6.687 -6.533 5.793 1.00 0.00 O ATOM 1404 CB GLU B 29 4.132 -5.589 3.979 1.00 0.00 C ATOM 1405 CG GLU B 29 2.694 -5.773 3.506 1.00 0.00 C ATOM 1406 CD GLU B 29 1.835 -4.536 3.709 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.529 -4.193 4.869 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.473 -3.890 2.706 1.00 0.00 O ATOM 0 H GLU B 29 2.967 -4.512 5.906 1.00 0.00 H new ATOM 0 HA GLU B 29 4.211 -7.065 5.535 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.414 -4.544 3.851 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.791 -6.177 3.340 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.697 -6.036 2.448 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.246 -6.610 4.041 1.00 0.00 H new ATOM 1415 N ILE B 30 6.024 -4.427 6.258 1.00 0.00 N ATOM 1416 CA ILE B 30 7.352 -3.963 6.646 1.00 0.00 C ATOM 1417 C ILE B 30 7.904 -4.771 7.816 1.00 0.00 C ATOM 1418 O ILE B 30 8.985 -5.351 7.723 1.00 0.00 O ATOM 1419 CB ILE B 30 7.337 -2.468 7.034 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.822 -1.622 5.868 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.731 -2.009 7.449 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.634 -0.164 6.217 1.00 0.00 C ATOM 0 H ILE B 30 5.294 -3.719 6.336 1.00 0.00 H new ATOM 0 HA ILE B 30 7.996 -4.102 5.778 1.00 0.00 H new ATOM 0 HB ILE B 30 6.665 -2.338 7.882 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.522 -1.701 5.036 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.871 -2.031 5.525 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.701 -0.953 7.719 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.066 -2.593 8.306 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.423 -2.152 6.619 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.267 0.375 5.343 1.00 0.00 H new ATOM 0 HD12 ILE B 30 5.912 -0.074 7.028 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.587 0.261 6.531 1.00 0.00 H new ATOM 1434 N SER B 31 7.153 -4.823 8.905 1.00 0.00 N ATOM 1435 CA SER B 31 7.615 -5.481 10.118 1.00 0.00 C ATOM 1436 C SER B 31 7.540 -7.002 10.010 1.00 0.00 C ATOM 1437 O SER B 31 8.188 -7.719 10.774 1.00 0.00 O ATOM 1438 CB SER B 31 6.801 -4.988 11.314 1.00 0.00 C ATOM 1439 OG SER B 31 6.992 -3.597 11.507 1.00 0.00 O ATOM 0 H SER B 31 6.220 -4.417 8.974 1.00 0.00 H new ATOM 0 HA SER B 31 8.664 -5.222 10.260 1.00 0.00 H new ATOM 0 HB2 SER B 31 5.743 -5.196 11.152 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.099 -5.530 12.212 1.00 0.00 H new ATOM 0 HG SER B 31 6.463 -3.298 12.275 1.00 0.00 H new ATOM 1445 N HIS B 32 6.769 -7.499 9.055 1.00 0.00 N ATOM 1446 CA HIS B 32 6.596 -8.937 8.910 1.00 0.00 C ATOM 1447 C HIS B 32 7.807 -9.559 8.225 1.00 0.00 C ATOM 1448 O HIS B 32 8.275 -10.624 8.621 1.00 0.00 O ATOM 1449 CB HIS B 32 5.333 -9.248 8.109 1.00 0.00 C ATOM 1450 CG HIS B 32 4.724 -10.575 8.435 1.00 0.00 C ATOM 1451 ND1 HIS B 32 3.579 -10.704 9.186 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.099 -11.835 8.110 1.00 0.00 C ATOM 1453 CE1 HIS B 32 3.276 -11.977 9.311 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.180 -12.690 8.668 1.00 0.00 N ATOM 0 H HIS B 32 6.258 -6.936 8.375 1.00 0.00 H new ATOM 0 HA HIS B 32 6.497 -9.366 9.907 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.596 -8.466 8.291 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.572 -9.219 7.046 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.960 -12.115 7.522 1.00 0.00 H new ATOM 0 HE1 HIS B 32 2.428 -12.373 9.850 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.194 -13.707 8.597 1.00 0.00 H new ATOM 1463 N PHE B 33 8.314 -8.887 7.201 1.00 0.00 N ATOM 1464 CA PHE B 33 9.423 -9.419 6.418 1.00 0.00 C ATOM 1465 C PHE B 33 10.717 -8.661 6.697 1.00 0.00 C ATOM 1466 O PHE B 33 11.759 -8.981 6.126 1.00 0.00 O ATOM 1467 CB PHE B 33 9.096 -9.352 4.924 1.00 0.00 C ATOM 1468 CG PHE B 33 7.852 -10.104 4.540 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.868 -11.484 4.423 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.665 -9.430 4.300 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.726 -12.178 4.073 1.00 0.00 C ATOM 1472 CE2 PHE B 33 5.519 -10.117 3.950 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.549 -11.493 3.836 1.00 0.00 C ATOM 0 H PHE B 33 7.977 -7.975 6.893 1.00 0.00 H new ATOM 0 HA PHE B 33 9.568 -10.459 6.712 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.982 -8.308 4.633 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.939 -9.750 4.359 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.785 -12.024 4.608 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.636 -8.354 4.388 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.753 -13.254 3.985 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.601 -9.579 3.766 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.655 -12.033 3.562 1.00 0.00 H new ATOM 1483 N LYS B 34 10.640 -7.664 7.579 1.00 0.00 N ATOM 1484 CA LYS B 34 11.784 -6.806 7.901 1.00 0.00 C ATOM 1485 C LYS B 34 12.349 -6.160 6.640 1.00 0.00 C ATOM 1486 O LYS B 34 13.434 -6.517 6.175 1.00 0.00 O ATOM 1487 CB LYS B 34 12.890 -7.574 8.642 1.00 0.00 C ATOM 1488 CG LYS B 34 12.627 -7.782 10.129 1.00 0.00 C ATOM 1489 CD LYS B 34 11.532 -8.805 10.385 1.00 0.00 C ATOM 1490 CE LYS B 34 11.323 -9.025 11.875 1.00 0.00 C ATOM 1491 NZ LYS B 34 10.321 -10.088 12.149 1.00 0.00 N ATOM 0 H LYS B 34 9.789 -7.428 8.089 1.00 0.00 H new ATOM 0 HA LYS B 34 11.418 -6.025 8.567 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.018 -8.548 8.169 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.830 -7.036 8.524 1.00 0.00 H new ATOM 0 HG2 LYS B 34 13.546 -8.108 10.616 1.00 0.00 H new ATOM 0 HG3 LYS B 34 12.346 -6.831 10.582 1.00 0.00 H new ATOM 0 HD2 LYS B 34 10.601 -8.466 9.931 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.794 -9.750 9.908 1.00 0.00 H new ATOM 0 HE2 LYS B 34 12.272 -9.295 12.338 1.00 0.00 H new ATOM 0 HE3 LYS B 34 10.997 -8.093 12.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 10.210 -10.204 13.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 9.407 -9.820 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.643 -10.985 11.732 1.00 0.00 H new ATOM 1505 N LEU B 35 11.595 -5.222 6.082 1.00 0.00 N ATOM 1506 CA LEU B 35 12.002 -4.540 4.861 1.00 0.00 C ATOM 1507 C LEU B 35 13.160 -3.584 5.132 1.00 0.00 C ATOM 1508 O LEU B 35 13.237 -2.964 6.195 1.00 0.00 O ATOM 1509 CB LEU B 35 10.822 -3.783 4.245 1.00 0.00 C ATOM 1510 CG LEU B 35 9.659 -4.659 3.773 1.00 0.00 C ATOM 1511 CD1 LEU B 35 8.555 -3.801 3.175 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.141 -5.689 2.760 1.00 0.00 C ATOM 0 H LEU B 35 10.697 -4.916 6.456 1.00 0.00 H new ATOM 0 HA LEU B 35 12.339 -5.295 4.151 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.445 -3.071 4.979 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.186 -3.203 3.397 1.00 0.00 H new ATOM 0 HG LEU B 35 9.256 -5.189 4.636 1.00 0.00 H new ATOM 0 HD11 LEU B 35 7.736 -4.440 2.845 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.189 -3.102 3.927 1.00 0.00 H new ATOM 0 HD13 LEU B 35 8.947 -3.245 2.324 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.300 -6.302 2.436 1.00 0.00 H new ATOM 0 HD22 LEU B 35 10.571 -5.178 1.898 1.00 0.00 H new ATOM 0 HD23 LEU B 35 10.898 -6.325 3.220 1.00 0.00 H new ATOM 1524 N VAL B 36 14.059 -3.476 4.166 1.00 0.00 N ATOM 1525 CA VAL B 36 15.251 -2.651 4.303 1.00 0.00 C ATOM 1526 C VAL B 36 15.007 -1.253 3.739 1.00 0.00 C ATOM 1527 O VAL B 36 14.744 -1.096 2.547 1.00 0.00 O ATOM 1528 CB VAL B 36 16.447 -3.308 3.577 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.699 -2.454 3.686 1.00 0.00 C ATOM 1530 CG2 VAL B 36 16.707 -4.698 4.133 1.00 0.00 C ATOM 0 H VAL B 36 13.984 -3.955 3.269 1.00 0.00 H new ATOM 0 HA VAL B 36 15.484 -2.564 5.364 1.00 0.00 H new ATOM 0 HB VAL B 36 16.189 -3.392 2.521 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.521 -2.945 3.165 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.515 -1.479 3.235 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.961 -2.325 4.736 1.00 0.00 H new ATOM 0 HG21 VAL B 36 17.552 -5.146 3.611 1.00 0.00 H new ATOM 0 HG22 VAL B 36 16.933 -4.628 5.197 1.00 0.00 H new ATOM 0 HG23 VAL B 36 15.822 -5.318 3.991 1.00 0.00 H new ATOM 1540 N LYS B 37 15.080 -0.243 4.596 1.00 0.00 N ATOM 1541 CA LYS B 37 14.851 1.131 4.175 1.00 0.00 C ATOM 1542 C LYS B 37 16.097 1.693 3.498 1.00 0.00 C ATOM 1543 O LYS B 37 17.080 2.031 4.157 1.00 0.00 O ATOM 1544 CB LYS B 37 14.447 2.001 5.373 1.00 0.00 C ATOM 1545 CG LYS B 37 14.061 3.426 5.001 1.00 0.00 C ATOM 1546 CD LYS B 37 13.512 4.182 6.202 1.00 0.00 C ATOM 1547 CE LYS B 37 13.144 5.615 5.844 1.00 0.00 C ATOM 1548 NZ LYS B 37 12.493 6.323 6.980 1.00 0.00 N ATOM 0 H LYS B 37 15.296 -0.350 5.587 1.00 0.00 H new ATOM 0 HA LYS B 37 14.033 1.141 3.455 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.608 1.530 5.884 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.275 2.033 6.081 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.932 3.950 4.606 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.314 3.407 4.208 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.632 3.665 6.586 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.254 4.185 7.000 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.042 6.156 5.546 1.00 0.00 H new ATOM 0 HE3 LYS B 37 12.473 5.613 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 12.579 7.350 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 11.487 6.062 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 12.958 6.052 7.870 1.00 0.00 H new ATOM 1562 N VAL B 38 16.044 1.778 2.178 1.00 0.00 N ATOM 1563 CA VAL B 38 17.175 2.241 1.386 1.00 0.00 C ATOM 1564 C VAL B 38 17.316 3.759 1.482 1.00 0.00 C ATOM 1565 O VAL B 38 18.423 4.299 1.440 1.00 0.00 O ATOM 1566 CB VAL B 38 17.023 1.830 -0.096 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.251 2.223 -0.904 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.764 0.335 -0.210 1.00 0.00 C ATOM 0 H VAL B 38 15.222 1.530 1.627 1.00 0.00 H new ATOM 0 HA VAL B 38 18.072 1.771 1.790 1.00 0.00 H new ATOM 0 HB VAL B 38 16.166 2.364 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.115 1.921 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.388 3.303 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.130 1.727 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.659 0.063 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.599 -0.213 0.226 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.847 0.083 0.323 1.00 0.00 H new ATOM 1578 N GLY B 39 16.185 4.439 1.620 1.00 0.00 N ATOM 1579 CA GLY B 39 16.192 5.882 1.720 1.00 0.00 C ATOM 1580 C GLY B 39 14.795 6.440 1.871 1.00 0.00 C ATOM 1581 O GLY B 39 13.837 5.685 2.023 1.00 0.00 O ATOM 0 H GLY B 39 15.260 4.012 1.664 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.799 6.184 2.574 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.659 6.306 0.831 1.00 0.00 H new ATOM 1585 N THR B 40 14.677 7.756 1.833 1.00 0.00 N ATOM 1586 CA THR B 40 13.382 8.408 1.938 1.00 0.00 C ATOM 1587 C THR B 40 13.176 9.354 0.760 1.00 0.00 C ATOM 1588 O THR B 40 14.126 9.981 0.290 1.00 0.00 O ATOM 1589 CB THR B 40 13.265 9.198 3.256 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.671 8.372 4.358 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.839 9.684 3.485 1.00 0.00 C ATOM 0 H THR B 40 15.464 8.396 1.730 1.00 0.00 H new ATOM 0 HA THR B 40 12.614 7.635 1.926 1.00 0.00 H new ATOM 0 HB THR B 40 13.918 10.068 3.185 1.00 0.00 H new ATOM 0 HG1 THR B 40 13.596 8.880 5.193 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.789 10.238 4.423 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.540 10.335 2.663 1.00 0.00 H new ATOM 0 HG23 THR B 40 11.166 8.828 3.533 1.00 0.00 H new ATOM 1599 N ILE B 41 11.948 9.438 0.274 1.00 0.00 N ATOM 1600 CA ILE B 41 11.624 10.330 -0.829 1.00 0.00 C ATOM 1601 C ILE B 41 10.391 11.159 -0.497 1.00 0.00 C ATOM 1602 O ILE B 41 9.492 10.697 0.205 1.00 0.00 O ATOM 1603 CB ILE B 41 11.375 9.560 -2.147 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.313 8.472 -1.942 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.672 8.960 -2.670 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.946 7.727 -3.208 1.00 0.00 C ATOM 0 H ILE B 41 11.157 8.898 0.626 1.00 0.00 H new ATOM 0 HA ILE B 41 12.486 10.982 -0.972 1.00 0.00 H new ATOM 0 HB ILE B 41 11.002 10.263 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.677 7.757 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.414 8.929 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.476 8.422 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.392 9.757 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE B 41 13.078 8.271 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE B 41 9.190 6.975 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.551 8.429 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.833 7.240 -3.613 1.00 0.00 H new ATOM 1618 N ASN B 42 10.359 12.386 -0.986 1.00 0.00 N ATOM 1619 CA ASN B 42 9.192 13.234 -0.818 1.00 0.00 C ATOM 1620 C ASN B 42 8.962 14.042 -2.086 1.00 0.00 C ATOM 1621 O ASN B 42 9.868 14.707 -2.597 1.00 0.00 O ATOM 1622 CB ASN B 42 9.325 14.146 0.416 1.00 0.00 C ATOM 1623 CG ASN B 42 10.276 15.311 0.226 1.00 0.00 C ATOM 1624 OD1 ASN B 42 11.492 15.158 0.342 1.00 0.00 O ATOM 1625 ND2 ASN B 42 9.729 16.493 -0.022 1.00 0.00 N ATOM 0 H ASN B 42 11.126 12.817 -1.502 1.00 0.00 H new ATOM 0 HA ASN B 42 8.323 12.599 -0.644 1.00 0.00 H new ATOM 0 HB2 ASN B 42 8.340 14.534 0.675 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.665 13.548 1.261 1.00 0.00 H new ATOM 0 HD21 ASN B 42 10.321 17.318 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN B 42 8.716 16.578 -0.111 1.00 0.00 H new ATOM 1632 N VAL B 43 7.750 13.957 -2.602 1.00 0.00 N ATOM 1633 CA VAL B 43 7.397 14.621 -3.842 1.00 0.00 C ATOM 1634 C VAL B 43 6.617 15.887 -3.543 1.00 0.00 C ATOM 1635 O VAL B 43 5.533 15.836 -2.966 1.00 0.00 O ATOM 1636 CB VAL B 43 6.548 13.708 -4.753 1.00 0.00 C ATOM 1637 CG1 VAL B 43 6.218 14.407 -6.063 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.265 12.394 -5.014 1.00 0.00 C ATOM 0 H VAL B 43 6.988 13.430 -2.177 1.00 0.00 H new ATOM 0 HA VAL B 43 8.323 14.863 -4.364 1.00 0.00 H new ATOM 0 HB VAL B 43 5.612 13.492 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.619 13.744 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.656 15.318 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL B 43 7.142 14.660 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.650 11.765 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL B 43 8.219 12.591 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.441 11.882 -4.068 1.00 0.00 H new ATOM 1648 N SER B 44 7.189 17.014 -3.927 1.00 0.00 N ATOM 1649 CA SER B 44 6.568 18.301 -3.706 1.00 0.00 C ATOM 1650 C SER B 44 6.097 18.871 -5.038 1.00 0.00 C ATOM 1651 O SER B 44 6.904 19.137 -5.931 1.00 0.00 O ATOM 1652 CB SER B 44 7.568 19.245 -3.035 1.00 0.00 C ATOM 1653 OG SER B 44 6.946 20.436 -2.591 1.00 0.00 O ATOM 0 H SER B 44 8.092 17.060 -4.398 1.00 0.00 H new ATOM 0 HA SER B 44 5.705 18.188 -3.050 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.034 18.740 -2.189 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.365 19.490 -3.737 1.00 0.00 H new ATOM 0 HG SER B 44 6.988 20.482 -1.613 1.00 0.00 H new ATOM 1659 N GLN B 45 4.790 19.027 -5.180 1.00 0.00 N ATOM 1660 CA GLN B 45 4.211 19.510 -6.427 1.00 0.00 C ATOM 1661 C GLN B 45 3.220 20.636 -6.175 1.00 0.00 C ATOM 1662 O GLN B 45 2.583 20.691 -5.126 1.00 0.00 O ATOM 1663 CB GLN B 45 3.516 18.368 -7.173 1.00 0.00 C ATOM 1664 CG GLN B 45 4.478 17.425 -7.881 1.00 0.00 C ATOM 1665 CD GLN B 45 5.248 18.117 -8.990 1.00 0.00 C ATOM 1666 OE1 GLN B 45 4.753 19.062 -9.605 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.459 17.657 -9.252 1.00 0.00 N ATOM 0 H GLN B 45 4.109 18.827 -4.448 1.00 0.00 H new ATOM 0 HA GLN B 45 5.024 19.897 -7.041 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.915 17.796 -6.466 1.00 0.00 H new ATOM 0 HB3 GLN B 45 2.829 18.790 -7.906 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.180 17.013 -7.156 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.921 16.586 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.833 16.872 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.020 18.087 -9.987 1.00 0.00 H new ATOM 1676 N SER B 46 3.076 21.515 -7.156 1.00 0.00 N ATOM 1677 CA SER B 46 2.155 22.641 -7.056 1.00 0.00 C ATOM 1678 C SER B 46 0.744 22.227 -7.468 1.00 0.00 C ATOM 1679 O SER B 46 -0.165 23.056 -7.548 1.00 0.00 O ATOM 1680 CB SER B 46 2.650 23.783 -7.945 1.00 0.00 C ATOM 1681 OG SER B 46 4.004 24.094 -7.654 1.00 0.00 O ATOM 0 H SER B 46 3.589 21.470 -8.037 1.00 0.00 H new ATOM 0 HA SER B 46 2.120 22.976 -6.019 1.00 0.00 H new ATOM 0 HB2 SER B 46 2.553 23.502 -8.994 1.00 0.00 H new ATOM 0 HB3 SER B 46 2.028 24.665 -7.793 1.00 0.00 H new ATOM 0 HG SER B 46 4.303 24.825 -8.234 1.00 0.00 H new ATOM 1687 N GLY B 47 0.565 20.936 -7.711 1.00 0.00 N ATOM 1688 CA GLY B 47 -0.702 20.438 -8.204 1.00 0.00 C ATOM 1689 C GLY B 47 -0.653 20.204 -9.696 1.00 0.00 C ATOM 1690 O GLY B 47 0.396 20.391 -10.315 1.00 0.00 O ATOM 0 H GLY B 47 1.280 20.221 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -0.953 19.507 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -1.492 21.152 -7.971 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.770 19.785 -10.276 1.00 0.00 N ATOM 1695 CA GLY B 48 -1.825 19.546 -11.707 1.00 0.00 C ATOM 1696 C GLY B 48 -1.122 18.265 -12.113 1.00 0.00 C ATOM 1697 O GLY B 48 -1.753 17.331 -12.610 1.00 0.00 O ATOM 0 H GLY B 48 -2.643 19.605 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.867 19.500 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -1.370 20.387 -12.230 1.00 0.00 H new ATOM 1701 N GLN B 49 0.187 18.222 -11.897 1.00 0.00 N ATOM 1702 CA GLN B 49 0.985 17.045 -12.212 1.00 0.00 C ATOM 1703 C GLN B 49 0.579 15.887 -11.305 1.00 0.00 C ATOM 1704 O GLN B 49 0.764 14.719 -11.638 1.00 0.00 O ATOM 1705 CB GLN B 49 2.476 17.363 -12.062 1.00 0.00 C ATOM 1706 CG GLN B 49 2.902 18.616 -12.817 1.00 0.00 C ATOM 1707 CD GLN B 49 4.403 18.850 -12.799 1.00 0.00 C ATOM 1708 OE1 GLN B 49 4.862 19.992 -12.791 1.00 0.00 O ATOM 1709 NE2 GLN B 49 5.179 17.778 -12.830 1.00 0.00 N ATOM 0 H GLN B 49 0.721 18.996 -11.502 1.00 0.00 H new ATOM 0 HA GLN B 49 0.804 16.753 -13.246 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.710 17.487 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.060 16.515 -12.420 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.566 18.540 -13.851 1.00 0.00 H new ATOM 0 HG3 GLN B 49 2.402 19.481 -12.382 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.763 16.847 -12.836 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.193 17.883 -12.848 1.00 0.00 H new ATOM 1718 N ILE B 50 0.023 16.230 -10.152 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.558 15.249 -9.253 1.00 0.00 C ATOM 1720 C ILE B 50 -2.061 15.483 -9.168 1.00 0.00 C ATOM 1721 O ILE B 50 -2.519 16.378 -8.453 1.00 0.00 O ATOM 1722 CB ILE B 50 0.055 15.322 -7.834 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.572 15.114 -7.889 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.589 14.290 -6.915 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.986 13.766 -8.446 1.00 0.00 C ATOM 0 H ILE B 50 -0.037 17.191 -9.816 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.343 14.258 -9.653 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.143 16.315 -7.430 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.015 15.900 -8.500 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.981 15.222 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.144 14.358 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.660 14.482 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.425 13.291 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.074 13.694 -8.453 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.574 12.973 -7.823 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.609 13.661 -9.463 1.00 0.00 H new ATOM 1737 N SER B 51 -2.821 14.712 -9.931 1.00 0.00 N ATOM 1738 CA SER B 51 -4.266 14.862 -9.963 1.00 0.00 C ATOM 1739 C SER B 51 -4.942 13.585 -9.482 1.00 0.00 C ATOM 1740 O SER B 51 -5.817 13.616 -8.611 1.00 0.00 O ATOM 1741 CB SER B 51 -4.723 15.210 -11.382 1.00 0.00 C ATOM 1742 OG SER B 51 -6.129 15.376 -11.449 1.00 0.00 O ATOM 0 H SER B 51 -2.459 13.975 -10.537 1.00 0.00 H new ATOM 0 HA SER B 51 -4.552 15.674 -9.294 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.231 16.126 -11.709 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.416 14.421 -12.068 1.00 0.00 H new ATOM 0 HG SER B 51 -6.389 15.599 -12.367 1.00 0.00 H new ATOM 1748 N SER B 52 -4.524 12.464 -10.045 1.00 0.00 N ATOM 1749 CA SER B 52 -5.084 11.175 -9.688 1.00 0.00 C ATOM 1750 C SER B 52 -4.085 10.377 -8.854 1.00 0.00 C ATOM 1751 O SER B 52 -2.882 10.661 -8.872 1.00 0.00 O ATOM 1752 CB SER B 52 -5.454 10.405 -10.960 1.00 0.00 C ATOM 1753 OG SER B 52 -6.359 11.148 -11.759 1.00 0.00 O ATOM 0 H SER B 52 -3.794 12.423 -10.756 1.00 0.00 H new ATOM 0 HA SER B 52 -5.983 11.328 -9.092 1.00 0.00 H new ATOM 0 HB2 SER B 52 -4.552 10.187 -11.533 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.901 9.448 -10.693 1.00 0.00 H new ATOM 0 HG SER B 52 -6.579 10.637 -12.566 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.565 9.370 -8.102 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.696 8.489 -7.318 1.00 0.00 C ATOM 1761 C PRO B 53 -2.669 7.782 -8.199 1.00 0.00 C ATOM 1762 O PRO B 53 -1.595 7.400 -7.736 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.660 7.473 -6.690 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.932 7.600 -7.460 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.987 9.021 -7.938 1.00 0.00 C ATOM 0 HA PRO B 53 -3.118 9.041 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.261 6.461 -6.756 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.819 7.685 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.951 6.905 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.792 7.366 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.535 9.111 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.482 9.671 -7.216 1.00 0.00 H new ATOM 1773 N SER B 54 -3.008 7.631 -9.474 1.00 0.00 N ATOM 1774 CA SER B 54 -2.114 7.027 -10.449 1.00 0.00 C ATOM 1775 C SER B 54 -0.874 7.898 -10.653 1.00 0.00 C ATOM 1776 O SER B 54 0.245 7.388 -10.726 1.00 0.00 O ATOM 1777 CB SER B 54 -2.863 6.838 -11.766 1.00 0.00 C ATOM 1778 OG SER B 54 -4.152 6.293 -11.530 1.00 0.00 O ATOM 0 H SER B 54 -3.907 7.923 -9.858 1.00 0.00 H new ATOM 0 HA SER B 54 -1.782 6.056 -10.082 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.955 7.795 -12.280 1.00 0.00 H new ATOM 0 HB3 SER B 54 -2.297 6.177 -12.422 1.00 0.00 H new ATOM 0 HG SER B 54 -4.620 6.179 -12.383 1.00 0.00 H new ATOM 1784 N ASP B 55 -1.080 9.215 -10.718 1.00 0.00 N ATOM 1785 CA ASP B 55 0.025 10.164 -10.863 1.00 0.00 C ATOM 1786 C ASP B 55 0.944 10.061 -9.664 1.00 0.00 C ATOM 1787 O ASP B 55 2.155 9.895 -9.802 1.00 0.00 O ATOM 1788 CB ASP B 55 -0.482 11.608 -10.969 1.00 0.00 C ATOM 1789 CG ASP B 55 -1.425 11.828 -12.130 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -1.049 11.511 -13.279 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -2.555 12.309 -11.895 1.00 0.00 O ATOM 0 H ASP B 55 -2.002 9.648 -10.672 1.00 0.00 H new ATOM 0 HA ASP B 55 0.559 9.913 -11.780 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.989 11.876 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.371 12.279 -11.071 1.00 0.00 H new ATOM 1796 N LEU B 56 0.345 10.146 -8.482 1.00 0.00 N ATOM 1797 CA LEU B 56 1.081 10.060 -7.228 1.00 0.00 C ATOM 1798 C LEU B 56 1.871 8.756 -7.152 1.00 0.00 C ATOM 1799 O LEU B 56 3.027 8.735 -6.727 1.00 0.00 O ATOM 1800 CB LEU B 56 0.108 10.150 -6.050 1.00 0.00 C ATOM 1801 CG LEU B 56 0.752 10.088 -4.667 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.696 11.261 -4.474 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.313 10.077 -3.584 1.00 0.00 C ATOM 0 H LEU B 56 -0.660 10.276 -8.367 1.00 0.00 H new ATOM 0 HA LEU B 56 1.785 10.891 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.450 11.083 -6.131 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.614 9.338 -6.133 1.00 0.00 H new ATOM 0 HG LEU B 56 1.326 9.164 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.148 11.205 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.478 11.227 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.140 12.194 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.164 10.033 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.913 10.984 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.955 9.206 -3.714 1.00 0.00 H new ATOM 1815 N ARG B 57 1.236 7.678 -7.585 1.00 0.00 N ATOM 1816 CA ARG B 57 1.837 6.355 -7.545 1.00 0.00 C ATOM 1817 C ARG B 57 3.048 6.282 -8.471 1.00 0.00 C ATOM 1818 O ARG B 57 4.079 5.712 -8.115 1.00 0.00 O ATOM 1819 CB ARG B 57 0.792 5.317 -7.949 1.00 0.00 C ATOM 1820 CG ARG B 57 1.097 3.913 -7.468 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.135 3.032 -7.564 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.022 1.839 -6.732 1.00 0.00 N ATOM 1823 CZ ARG B 57 -0.325 1.806 -5.435 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -0.732 2.905 -4.811 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -0.228 0.666 -4.767 1.00 0.00 N ATOM 0 H ARG B 57 0.293 7.696 -7.973 1.00 0.00 H new ATOM 0 HA ARG B 57 2.180 6.149 -6.531 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -0.178 5.622 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG B 57 0.707 5.307 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.903 3.486 -8.065 1.00 0.00 H new ATOM 0 HG3 ARG B 57 1.447 3.945 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -1.013 3.603 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -0.289 2.737 -8.602 1.00 0.00 H new ATOM 0 HE ARG B 57 0.309 0.979 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -0.814 3.782 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -0.962 2.872 -3.818 1.00 0.00 H new ATOM 0 HH21 ARG B 57 0.078 -0.181 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -0.459 0.636 -3.774 1.00 0.00 H new ATOM 1839 N GLU B 58 2.915 6.885 -9.648 1.00 0.00 N ATOM 1840 CA GLU B 58 3.981 6.898 -10.646 1.00 0.00 C ATOM 1841 C GLU B 58 5.233 7.567 -10.082 1.00 0.00 C ATOM 1842 O GLU B 58 6.332 7.014 -10.160 1.00 0.00 O ATOM 1843 CB GLU B 58 3.486 7.630 -11.907 1.00 0.00 C ATOM 1844 CG GLU B 58 4.366 7.462 -13.145 1.00 0.00 C ATOM 1845 CD GLU B 58 5.583 8.371 -13.160 1.00 0.00 C ATOM 1846 OE1 GLU B 58 5.437 9.575 -13.458 1.00 0.00 O ATOM 1847 OE2 GLU B 58 6.700 7.883 -12.896 1.00 0.00 O ATOM 0 H GLU B 58 2.069 7.377 -9.937 1.00 0.00 H new ATOM 0 HA GLU B 58 4.243 5.874 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.483 7.275 -12.143 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.403 8.693 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.698 6.425 -13.206 1.00 0.00 H new ATOM 0 HG3 GLU B 58 3.767 7.658 -14.034 1.00 0.00 H new ATOM 1854 N LYS B 59 5.052 8.740 -9.483 1.00 0.00 N ATOM 1855 CA LYS B 59 6.177 9.536 -9.002 1.00 0.00 C ATOM 1856 C LYS B 59 6.959 8.790 -7.927 1.00 0.00 C ATOM 1857 O LYS B 59 8.189 8.734 -7.965 1.00 0.00 O ATOM 1858 CB LYS B 59 5.699 10.880 -8.442 1.00 0.00 C ATOM 1859 CG LYS B 59 4.652 11.577 -9.300 1.00 0.00 C ATOM 1860 CD LYS B 59 5.048 11.631 -10.767 1.00 0.00 C ATOM 1861 CE LYS B 59 6.240 12.537 -11.003 1.00 0.00 C ATOM 1862 NZ LYS B 59 6.738 12.431 -12.396 1.00 0.00 N ATOM 0 H LYS B 59 4.137 9.161 -9.319 1.00 0.00 H new ATOM 0 HA LYS B 59 6.832 9.717 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.288 10.720 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.559 11.541 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.700 11.055 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.499 12.591 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS B 59 5.283 10.625 -11.116 1.00 0.00 H new ATOM 0 HD3 LYS B 59 4.202 11.984 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS B 59 5.960 13.569 -10.793 1.00 0.00 H new ATOM 0 HE3 LYS B 59 7.039 12.276 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.778 12.428 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 6.390 11.549 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 6.396 13.242 -12.950 1.00 0.00 H new ATOM 1876 N LEU B 60 6.235 8.214 -6.976 1.00 0.00 N ATOM 1877 CA LEU B 60 6.855 7.499 -5.869 1.00 0.00 C ATOM 1878 C LEU B 60 7.524 6.217 -6.355 1.00 0.00 C ATOM 1879 O LEU B 60 8.622 5.875 -5.913 1.00 0.00 O ATOM 1880 CB LEU B 60 5.811 7.180 -4.797 1.00 0.00 C ATOM 1881 CG LEU B 60 5.164 8.403 -4.144 1.00 0.00 C ATOM 1882 CD1 LEU B 60 4.050 7.978 -3.204 1.00 0.00 C ATOM 1883 CD2 LEU B 60 6.205 9.222 -3.396 1.00 0.00 C ATOM 0 H LEU B 60 5.215 8.228 -6.950 1.00 0.00 H new ATOM 0 HA LEU B 60 7.623 8.139 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.028 6.568 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.282 6.578 -4.020 1.00 0.00 H new ATOM 0 HG LEU B 60 4.735 9.024 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.601 8.861 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.290 7.433 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.458 7.335 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.727 10.088 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.663 8.608 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.973 9.558 -4.093 1.00 0.00 H new ATOM 1895 N SER B 61 6.865 5.526 -7.276 1.00 0.00 N ATOM 1896 CA SER B 61 7.396 4.292 -7.839 1.00 0.00 C ATOM 1897 C SER B 61 8.717 4.555 -8.560 1.00 0.00 C ATOM 1898 O SER B 61 9.697 3.826 -8.374 1.00 0.00 O ATOM 1899 CB SER B 61 6.371 3.677 -8.801 1.00 0.00 C ATOM 1900 OG SER B 61 6.847 2.469 -9.375 1.00 0.00 O ATOM 0 H SER B 61 5.957 5.801 -7.650 1.00 0.00 H new ATOM 0 HA SER B 61 7.587 3.588 -7.029 1.00 0.00 H new ATOM 0 HB2 SER B 61 5.441 3.484 -8.267 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.142 4.390 -9.593 1.00 0.00 H new ATOM 0 HG SER B 61 7.019 1.815 -8.666 1.00 0.00 H new ATOM 1906 N GLU B 62 8.741 5.617 -9.359 1.00 0.00 N ATOM 1907 CA GLU B 62 9.921 5.978 -10.136 1.00 0.00 C ATOM 1908 C GLU B 62 11.098 6.306 -9.220 1.00 0.00 C ATOM 1909 O GLU B 62 12.199 5.776 -9.387 1.00 0.00 O ATOM 1910 CB GLU B 62 9.598 7.178 -11.028 1.00 0.00 C ATOM 1911 CG GLU B 62 10.677 7.509 -12.046 1.00 0.00 C ATOM 1912 CD GLU B 62 10.889 6.399 -13.053 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.923 6.036 -13.756 1.00 0.00 O ATOM 1914 OE2 GLU B 62 12.023 5.894 -13.155 1.00 0.00 O ATOM 0 H GLU B 62 7.949 6.247 -9.486 1.00 0.00 H new ATOM 0 HA GLU B 62 10.203 5.128 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.665 6.983 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.431 8.051 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.406 8.425 -12.572 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.614 7.706 -11.525 1.00 0.00 H new ATOM 1921 N LEU B 63 10.854 7.166 -8.238 1.00 0.00 N ATOM 1922 CA LEU B 63 11.907 7.625 -7.342 1.00 0.00 C ATOM 1923 C LEU B 63 12.441 6.490 -6.473 1.00 0.00 C ATOM 1924 O LEU B 63 13.647 6.405 -6.229 1.00 0.00 O ATOM 1925 CB LEU B 63 11.394 8.765 -6.460 1.00 0.00 C ATOM 1926 CG LEU B 63 10.992 10.037 -7.211 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.446 11.074 -6.244 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.178 10.600 -7.980 1.00 0.00 C ATOM 0 H LEU B 63 9.934 7.560 -8.042 1.00 0.00 H new ATOM 0 HA LEU B 63 12.729 7.989 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.533 8.408 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.167 9.019 -5.735 1.00 0.00 H new ATOM 0 HG LEU B 63 10.208 9.783 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.165 11.972 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.570 10.671 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.211 11.324 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.874 11.504 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.982 10.839 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.529 9.861 -8.700 1.00 0.00 H new ATOM 1940 N ALA B 64 11.547 5.617 -6.020 1.00 0.00 N ATOM 1941 CA ALA B 64 11.933 4.503 -5.161 1.00 0.00 C ATOM 1942 C ALA B 64 12.872 3.546 -5.888 1.00 0.00 C ATOM 1943 O ALA B 64 13.905 3.141 -5.345 1.00 0.00 O ATOM 1944 CB ALA B 64 10.700 3.762 -4.663 1.00 0.00 C ATOM 0 H ALA B 64 10.550 5.659 -6.233 1.00 0.00 H new ATOM 0 HA ALA B 64 12.467 4.911 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.007 2.934 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.070 4.446 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.140 3.375 -5.514 1.00 0.00 H new ATOM 1950 N ASP B 65 12.526 3.209 -7.126 1.00 0.00 N ATOM 1951 CA ASP B 65 13.329 2.281 -7.917 1.00 0.00 C ATOM 1952 C ASP B 65 14.680 2.902 -8.268 1.00 0.00 C ATOM 1953 O ASP B 65 15.686 2.203 -8.381 1.00 0.00 O ATOM 1954 CB ASP B 65 12.582 1.879 -9.192 1.00 0.00 C ATOM 1955 CG ASP B 65 13.294 0.784 -9.964 1.00 0.00 C ATOM 1956 OD1 ASP B 65 13.265 -0.383 -9.514 1.00 0.00 O ATOM 1957 OD2 ASP B 65 13.877 1.077 -11.033 1.00 0.00 O ATOM 0 H ASP B 65 11.697 3.563 -7.603 1.00 0.00 H new ATOM 0 HA ASP B 65 13.505 1.386 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP B 65 11.579 1.541 -8.930 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.466 2.754 -9.832 1.00 0.00 H new ATOM 1962 N ALA B 66 14.690 4.225 -8.415 1.00 0.00 N ATOM 1963 CA ALA B 66 15.916 4.958 -8.721 1.00 0.00 C ATOM 1964 C ALA B 66 16.878 4.939 -7.536 1.00 0.00 C ATOM 1965 O ALA B 66 18.090 4.795 -7.711 1.00 0.00 O ATOM 1966 CB ALA B 66 15.593 6.390 -9.121 1.00 0.00 C ATOM 0 H ALA B 66 13.861 4.812 -8.327 1.00 0.00 H new ATOM 0 HA ALA B 66 16.405 4.463 -9.560 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.517 6.922 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA B 66 14.953 6.386 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.077 6.889 -8.301 1.00 0.00 H new ATOM 1972 N LYS B 67 16.331 5.100 -6.330 1.00 0.00 N ATOM 1973 CA LYS B 67 17.121 5.015 -5.105 1.00 0.00 C ATOM 1974 C LYS B 67 17.700 3.615 -4.933 1.00 0.00 C ATOM 1975 O LYS B 67 18.854 3.450 -4.531 1.00 0.00 O ATOM 1976 CB LYS B 67 16.255 5.360 -3.889 1.00 0.00 C ATOM 1977 CG LYS B 67 15.875 6.828 -3.793 1.00 0.00 C ATOM 1978 CD LYS B 67 17.075 7.690 -3.431 1.00 0.00 C ATOM 1979 CE LYS B 67 16.671 9.127 -3.142 1.00 0.00 C ATOM 1980 NZ LYS B 67 16.327 9.882 -4.376 1.00 0.00 N ATOM 0 H LYS B 67 15.341 5.291 -6.177 1.00 0.00 H new ATOM 0 HA LYS B 67 17.940 5.730 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.344 4.762 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.790 5.074 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.460 7.161 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.094 6.955 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.574 7.270 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.795 7.672 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.815 9.131 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS B 67 17.487 9.633 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 16.059 10.855 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.150 9.903 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 15.531 9.417 -4.857 1.00 0.00 H new ATOM 1994 N GLY B 68 16.889 2.615 -5.244 1.00 0.00 N ATOM 1995 CA GLY B 68 17.318 1.241 -5.107 1.00 0.00 C ATOM 1996 C GLY B 68 16.367 0.425 -4.257 1.00 0.00 C ATOM 1997 O GLY B 68 16.784 -0.507 -3.571 1.00 0.00 O ATOM 0 H GLY B 68 15.937 2.733 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.399 0.788 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.313 1.216 -4.662 1.00 0.00 H new ATOM 2001 N GLY B 69 15.090 0.785 -4.289 1.00 0.00 N ATOM 2002 CA GLY B 69 14.090 0.039 -3.552 1.00 0.00 C ATOM 2003 C GLY B 69 12.992 -0.475 -4.458 1.00 0.00 C ATOM 2004 O GLY B 69 12.862 -0.026 -5.594 1.00 0.00 O ATOM 0 H GLY B 69 14.729 1.582 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.564 -0.800 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.657 0.676 -2.781 1.00 0.00 H new ATOM 2008 N LYS B 70 12.213 -1.427 -3.965 1.00 0.00 N ATOM 2009 CA LYS B 70 11.111 -1.995 -4.737 1.00 0.00 C ATOM 2010 C LYS B 70 9.776 -1.751 -4.047 1.00 0.00 C ATOM 2011 O LYS B 70 8.715 -1.939 -4.640 1.00 0.00 O ATOM 2012 CB LYS B 70 11.333 -3.491 -4.938 1.00 0.00 C ATOM 2013 CG LYS B 70 12.542 -3.795 -5.796 1.00 0.00 C ATOM 2014 CD LYS B 70 12.845 -5.278 -5.842 1.00 0.00 C ATOM 2015 CE LYS B 70 13.974 -5.564 -6.811 1.00 0.00 C ATOM 2016 NZ LYS B 70 13.569 -5.303 -8.219 1.00 0.00 N ATOM 0 H LYS B 70 12.322 -1.825 -3.032 1.00 0.00 H new ATOM 0 HA LYS B 70 11.085 -1.502 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.454 -3.969 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.447 -3.926 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.370 -3.428 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.408 -3.260 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.116 -5.630 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS B 70 11.953 -5.827 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.835 -4.945 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.287 -6.603 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.238 -5.769 -8.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.613 -5.679 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.573 -4.278 -8.397 1.00 0.00 H new ATOM 2030 N TYR B 71 9.837 -1.324 -2.799 1.00 0.00 N ATOM 2031 CA TYR B 71 8.638 -1.048 -2.026 1.00 0.00 C ATOM 2032 C TYR B 71 8.701 0.378 -1.507 1.00 0.00 C ATOM 2033 O TYR B 71 9.791 0.923 -1.331 1.00 0.00 O ATOM 2034 CB TYR B 71 8.523 -2.014 -0.841 1.00 0.00 C ATOM 2035 CG TYR B 71 8.872 -3.452 -1.167 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.942 -4.311 -1.739 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.141 -3.949 -0.893 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.267 -5.624 -2.030 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.474 -5.258 -1.182 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.535 -6.092 -1.749 1.00 0.00 C ATOM 2041 OH TYR B 71 9.866 -7.397 -2.037 1.00 0.00 O ATOM 0 H TYR B 71 10.709 -1.160 -2.296 1.00 0.00 H new ATOM 0 HA TYR B 71 7.766 -1.179 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.177 -1.667 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.503 -1.979 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.949 -3.948 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.880 -3.300 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.533 -6.279 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.466 -5.626 -0.965 1.00 0.00 H new ATOM 0 HH TYR B 71 10.796 -7.563 -1.778 1.00 0.00 H new ATOM 2051 N TYR B 72 7.555 0.988 -1.270 1.00 0.00 N ATOM 2052 CA TYR B 72 7.536 2.301 -0.654 1.00 0.00 C ATOM 2053 C TYR B 72 6.393 2.414 0.346 1.00 0.00 C ATOM 2054 O TYR B 72 5.305 1.870 0.140 1.00 0.00 O ATOM 2055 CB TYR B 72 7.468 3.423 -1.704 1.00 0.00 C ATOM 2056 CG TYR B 72 6.201 3.457 -2.529 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.088 4.165 -2.094 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.121 2.796 -3.749 1.00 0.00 C ATOM 2059 CE1 TYR B 72 3.934 4.210 -2.846 1.00 0.00 C ATOM 2060 CE2 TYR B 72 4.969 2.840 -4.507 1.00 0.00 C ATOM 2061 CZ TYR B 72 3.880 3.547 -4.051 1.00 0.00 C ATOM 2062 OH TYR B 72 2.729 3.587 -4.798 1.00 0.00 O ATOM 0 H TYR B 72 6.637 0.602 -1.491 1.00 0.00 H new ATOM 0 HA TYR B 72 8.474 2.423 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.578 4.381 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.319 3.320 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.128 4.689 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR B 72 6.974 2.239 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.076 4.763 -2.492 1.00 0.00 H new ATOM 0 HE2 TYR B 72 4.922 2.322 -5.454 1.00 0.00 H new ATOM 0 HH TYR B 72 2.147 4.302 -4.464 1.00 0.00 H new ATOM 2072 N HIS B 73 6.665 3.098 1.441 1.00 0.00 N ATOM 2073 CA HIS B 73 5.689 3.291 2.500 1.00 0.00 C ATOM 2074 C HIS B 73 5.393 4.775 2.669 1.00 0.00 C ATOM 2075 O HIS B 73 6.217 5.518 3.198 1.00 0.00 O ATOM 2076 CB HIS B 73 6.218 2.691 3.810 1.00 0.00 C ATOM 2077 CG HIS B 73 5.338 2.914 5.004 1.00 0.00 C ATOM 2078 ND1 HIS B 73 5.796 3.475 6.175 1.00 0.00 N ATOM 2079 CD2 HIS B 73 4.032 2.621 5.217 1.00 0.00 C ATOM 2080 CE1 HIS B 73 4.815 3.518 7.054 1.00 0.00 C ATOM 2081 NE2 HIS B 73 3.732 3.007 6.499 1.00 0.00 N ATOM 0 H HIS B 73 7.568 3.536 1.623 1.00 0.00 H new ATOM 0 HA HIS B 73 4.762 2.783 2.234 1.00 0.00 H new ATOM 0 HB2 HIS B 73 6.355 1.618 3.673 1.00 0.00 H new ATOM 0 HB3 HIS B 73 7.201 3.114 4.016 1.00 0.00 H new ATOM 0 HD1 HIS B 73 6.747 3.806 6.337 1.00 0.00 H new ATOM 0 HD2 HIS B 73 3.354 2.168 4.509 1.00 0.00 H new ATOM 0 HE1 HIS B 73 4.885 3.906 8.059 1.00 0.00 H new ATOM 2090 N ILE B 74 4.233 5.207 2.195 1.00 0.00 N ATOM 2091 CA ILE B 74 3.848 6.610 2.290 1.00 0.00 C ATOM 2092 C ILE B 74 3.528 6.981 3.736 1.00 0.00 C ATOM 2093 O ILE B 74 2.488 6.597 4.269 1.00 0.00 O ATOM 2094 CB ILE B 74 2.621 6.933 1.410 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.822 6.407 -0.013 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.374 8.436 1.386 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.617 6.606 -0.909 1.00 0.00 C ATOM 0 H ILE B 74 3.543 4.609 1.742 1.00 0.00 H new ATOM 0 HA ILE B 74 4.696 7.194 1.933 1.00 0.00 H new ATOM 0 HB ILE B 74 1.750 6.438 1.839 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.682 6.907 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE B 74 3.060 5.344 0.032 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.506 8.652 0.762 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.190 8.791 2.400 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.249 8.942 0.978 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.832 6.209 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.759 6.082 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.391 7.670 -0.984 1.00 0.00 H new ATOM 2109 N ILE B 75 4.428 7.722 4.363 1.00 0.00 N ATOM 2110 CA ILE B 75 4.247 8.132 5.750 1.00 0.00 C ATOM 2111 C ILE B 75 3.531 9.471 5.841 1.00 0.00 C ATOM 2112 O ILE B 75 2.936 9.798 6.870 1.00 0.00 O ATOM 2113 CB ILE B 75 5.591 8.226 6.502 1.00 0.00 C ATOM 2114 CG1 ILE B 75 6.611 9.031 5.688 1.00 0.00 C ATOM 2115 CG2 ILE B 75 6.117 6.836 6.813 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.956 9.178 6.366 1.00 0.00 C ATOM 0 H ILE B 75 5.292 8.053 3.935 1.00 0.00 H new ATOM 0 HA ILE B 75 3.635 7.363 6.221 1.00 0.00 H new ATOM 0 HB ILE B 75 5.428 8.749 7.444 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.753 8.548 4.721 1.00 0.00 H new ATOM 0 HG13 ILE B 75 6.203 10.023 5.492 1.00 0.00 H new ATOM 0 HG21 ILE B 75 7.066 6.916 7.344 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.397 6.305 7.436 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.267 6.287 5.883 1.00 0.00 H new ATOM 0 HD11 ILE B 75 8.623 9.759 5.729 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.829 9.689 7.320 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.387 8.192 6.538 1.00 0.00 H new ATOM 2128 N ALA B 76 3.590 10.247 4.769 1.00 0.00 N ATOM 2129 CA ALA B 76 2.959 11.552 4.752 1.00 0.00 C ATOM 2130 C ALA B 76 2.475 11.922 3.359 1.00 0.00 C ATOM 2131 O ALA B 76 3.227 12.465 2.557 1.00 0.00 O ATOM 2132 CB ALA B 76 3.914 12.613 5.278 1.00 0.00 C ATOM 0 H ALA B 76 4.067 9.994 3.904 1.00 0.00 H new ATOM 0 HA ALA B 76 2.088 11.505 5.406 1.00 0.00 H new ATOM 0 HB1 ALA B 76 3.423 13.586 5.258 1.00 0.00 H new ATOM 0 HB2 ALA B 76 4.198 12.371 6.302 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.805 12.643 4.651 1.00 0.00 H new ATOM 2138 N ALA B 77 1.230 11.590 3.064 1.00 0.00 N ATOM 2139 CA ALA B 77 0.586 12.067 1.850 1.00 0.00 C ATOM 2140 C ALA B 77 -0.269 13.267 2.208 1.00 0.00 C ATOM 2141 O ALA B 77 -1.475 13.145 2.430 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.252 10.974 1.202 1.00 0.00 C ATOM 0 H ALA B 77 0.644 10.992 3.647 1.00 0.00 H new ATOM 0 HA ALA B 77 1.344 12.354 1.122 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.720 11.362 0.297 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.387 10.129 0.946 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.024 10.647 1.898 1.00 0.00 H new ATOM 2148 N ARG B 78 0.369 14.421 2.293 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.253 15.583 2.900 1.00 0.00 C ATOM 2150 C ARG B 78 -0.253 16.782 1.964 1.00 0.00 C ATOM 2151 O ARG B 78 0.437 16.803 0.945 1.00 0.00 O ATOM 2152 CB ARG B 78 0.478 15.933 4.197 1.00 0.00 C ATOM 2153 CG ARG B 78 1.942 16.292 3.988 1.00 0.00 C ATOM 2154 CD ARG B 78 2.207 17.749 4.324 1.00 0.00 C ATOM 2155 NE ARG B 78 2.098 18.000 5.758 1.00 0.00 N ATOM 2156 CZ ARG B 78 1.466 19.040 6.293 1.00 0.00 C ATOM 2157 NH1 ARG B 78 0.816 19.902 5.523 1.00 0.00 N ATOM 2158 NH2 ARG B 78 1.460 19.202 7.608 1.00 0.00 N ATOM 0 H ARG B 78 1.317 14.578 1.950 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.293 15.335 3.113 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.029 16.771 4.676 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.413 15.087 4.881 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.568 15.653 4.611 1.00 0.00 H new ATOM 0 HG3 ARG B 78 2.222 16.099 2.952 1.00 0.00 H new ATOM 0 HD2 ARG B 78 3.204 18.026 3.981 1.00 0.00 H new ATOM 0 HD3 ARG B 78 1.498 18.381 3.789 1.00 0.00 H new ATOM 0 HE ARG B 78 2.536 17.332 6.392 1.00 0.00 H new ATOM 0 HH11 ARG B 78 0.798 19.770 4.512 1.00 0.00 H new ATOM 0 HH12 ARG B 78 0.334 20.697 5.942 1.00 0.00 H new ATOM 0 HH21 ARG B 78 1.939 18.530 8.207 1.00 0.00 H new ATOM 0 HH22 ARG B 78 0.976 19.999 8.021 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.026 17.787 2.333 1.00 0.00 N ATOM 2173 CA GLU B 79 -1.136 19.000 1.550 1.00 0.00 C ATOM 2174 C GLU B 79 -0.564 20.171 2.342 1.00 0.00 C ATOM 2175 O GLU B 79 -1.056 20.498 3.422 1.00 0.00 O ATOM 2176 CB GLU B 79 -2.603 19.245 1.204 1.00 0.00 C ATOM 2177 CG GLU B 79 -2.827 20.291 0.129 1.00 0.00 C ATOM 2178 CD GLU B 79 -4.298 20.529 -0.130 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -4.995 19.582 -0.541 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -4.773 21.663 0.095 1.00 0.00 O ATOM 0 H GLU B 79 -1.593 17.784 3.181 1.00 0.00 H new ATOM 0 HA GLU B 79 -0.570 18.899 0.624 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.049 18.305 0.878 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -3.130 19.551 2.107 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -2.355 21.227 0.429 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -2.343 19.972 -0.794 1.00 0.00 H new ATOM 2187 N HIS B 80 0.496 20.774 1.832 1.00 0.00 N ATOM 2188 CA HIS B 80 1.132 21.898 2.507 1.00 0.00 C ATOM 2189 C HIS B 80 0.848 23.188 1.737 1.00 0.00 C ATOM 2190 O HIS B 80 1.733 23.751 1.089 1.00 0.00 O ATOM 2191 CB HIS B 80 2.642 21.652 2.635 1.00 0.00 C ATOM 2192 CG HIS B 80 3.364 22.637 3.511 1.00 0.00 C ATOM 2193 ND1 HIS B 80 4.736 22.767 3.523 1.00 0.00 N ATOM 2194 CD2 HIS B 80 2.897 23.528 4.418 1.00 0.00 C ATOM 2195 CE1 HIS B 80 5.081 23.694 4.397 1.00 0.00 C ATOM 2196 NE2 HIS B 80 3.985 24.170 4.952 1.00 0.00 N ATOM 0 H HIS B 80 0.937 20.506 0.952 1.00 0.00 H new ATOM 0 HA HIS B 80 0.721 21.998 3.512 1.00 0.00 H new ATOM 0 HB2 HIS B 80 2.801 20.649 3.031 1.00 0.00 H new ATOM 0 HB3 HIS B 80 3.087 21.676 1.640 1.00 0.00 H new ATOM 0 HD2 HIS B 80 1.862 23.701 4.673 1.00 0.00 H new ATOM 0 HE1 HIS B 80 6.090 24.009 4.619 1.00 0.00 H new ATOM 0 HE2 HIS B 80 3.951 24.899 5.665 1.00 0.00 H new ATOM 2205 N GLY B 81 -0.402 23.627 1.788 1.00 0.00 N ATOM 2206 CA GLY B 81 -0.807 24.809 1.057 1.00 0.00 C ATOM 2207 C GLY B 81 -0.918 24.527 -0.423 1.00 0.00 C ATOM 2208 O GLY B 81 -1.622 23.604 -0.828 1.00 0.00 O ATOM 0 H GLY B 81 -1.146 23.182 2.326 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -1.766 25.162 1.435 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -0.085 25.608 1.224 1.00 0.00 H new ATOM 2212 N PRO B 82 -0.219 25.298 -1.263 1.00 0.00 N ATOM 2213 CA PRO B 82 -0.161 25.044 -2.696 1.00 0.00 C ATOM 2214 C PRO B 82 0.909 24.012 -3.039 1.00 0.00 C ATOM 2215 O PRO B 82 1.172 23.732 -4.207 1.00 0.00 O ATOM 2216 CB PRO B 82 0.202 26.412 -3.269 1.00 0.00 C ATOM 2217 CG PRO B 82 1.029 27.057 -2.208 1.00 0.00 C ATOM 2218 CD PRO B 82 0.557 26.497 -0.887 1.00 0.00 C ATOM 0 HA PRO B 82 -1.091 24.637 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO B 82 0.758 26.316 -4.202 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -0.690 26.999 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO B 82 2.087 26.846 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO B 82 0.913 28.141 -2.232 1.00 0.00 H new ATOM 0 HD2 PRO B 82 1.396 26.242 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -0.057 27.216 -0.345 1.00 0.00 H new ATOM 2226 N ASN B 83 1.529 23.453 -2.007 1.00 0.00 N ATOM 2227 CA ASN B 83 2.578 22.463 -2.184 1.00 0.00 C ATOM 2228 C ASN B 83 2.103 21.114 -1.669 1.00 0.00 C ATOM 2229 O ASN B 83 1.939 20.926 -0.466 1.00 0.00 O ATOM 2230 CB ASN B 83 3.855 22.866 -1.430 1.00 0.00 C ATOM 2231 CG ASN B 83 4.281 24.301 -1.694 1.00 0.00 C ATOM 2232 OD1 ASN B 83 5.009 24.585 -2.648 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.843 25.210 -0.837 1.00 0.00 N ATOM 0 H ASN B 83 1.320 23.672 -1.033 1.00 0.00 H new ATOM 0 HA ASN B 83 2.806 22.400 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN B 83 3.694 22.733 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN B 83 4.665 22.195 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN B 83 4.106 26.189 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN B 83 3.242 24.932 -0.061 1.00 0.00 H new ATOM 2240 N PHE B 84 1.858 20.186 -2.572 1.00 0.00 N ATOM 2241 CA PHE B 84 1.478 18.840 -2.179 1.00 0.00 C ATOM 2242 C PHE B 84 2.729 18.062 -1.798 1.00 0.00 C ATOM 2243 O PHE B 84 3.684 18.006 -2.571 1.00 0.00 O ATOM 2244 CB PHE B 84 0.729 18.132 -3.311 1.00 0.00 C ATOM 2245 CG PHE B 84 0.221 16.768 -2.934 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -0.938 16.628 -2.186 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.906 15.628 -3.320 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.405 15.376 -1.834 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.445 14.374 -2.969 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.713 14.247 -2.225 1.00 0.00 C ATOM 0 H PHE B 84 1.914 20.336 -3.579 1.00 0.00 H new ATOM 0 HA PHE B 84 0.807 18.893 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.113 18.751 -3.622 1.00 0.00 H new ATOM 0 HB3 PHE B 84 1.391 18.039 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.482 17.508 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.811 15.720 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.311 15.281 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.989 13.493 -3.276 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.075 13.267 -1.950 1.00 0.00 H new ATOM 2260 N GLU B 85 2.721 17.477 -0.611 1.00 0.00 N ATOM 2261 CA GLU B 85 3.887 16.776 -0.100 1.00 0.00 C ATOM 2262 C GLU B 85 3.600 15.293 0.050 1.00 0.00 C ATOM 2263 O GLU B 85 2.816 14.885 0.910 1.00 0.00 O ATOM 2264 CB GLU B 85 4.306 17.347 1.256 1.00 0.00 C ATOM 2265 CG GLU B 85 4.751 18.797 1.209 1.00 0.00 C ATOM 2266 CD GLU B 85 6.055 18.993 0.460 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.893 18.064 0.451 1.00 0.00 O ATOM 2268 OE2 GLU B 85 6.251 20.091 -0.105 1.00 0.00 O ATOM 0 H GLU B 85 1.918 17.474 0.018 1.00 0.00 H new ATOM 0 HA GLU B 85 4.698 16.913 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.470 17.257 1.949 1.00 0.00 H new ATOM 0 HB3 GLU B 85 5.119 16.742 1.657 1.00 0.00 H new ATOM 0 HG2 GLU B 85 3.973 19.395 0.735 1.00 0.00 H new ATOM 0 HG3 GLU B 85 4.864 19.170 2.227 1.00 0.00 H new ATOM 2275 N ALA B 86 4.214 14.491 -0.797 1.00 0.00 N ATOM 2276 CA ALA B 86 4.104 13.051 -0.680 1.00 0.00 C ATOM 2277 C ALA B 86 5.410 12.467 -0.173 1.00 0.00 C ATOM 2278 O ALA B 86 6.374 12.339 -0.923 1.00 0.00 O ATOM 2279 CB ALA B 86 3.732 12.434 -2.015 1.00 0.00 C ATOM 0 H ALA B 86 4.793 14.812 -1.573 1.00 0.00 H new ATOM 0 HA ALA B 86 3.315 12.820 0.036 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.654 11.352 -1.907 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.775 12.835 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.500 12.671 -2.752 1.00 0.00 H new ATOM 2285 N VAL B 87 5.438 12.120 1.099 1.00 0.00 N ATOM 2286 CA VAL B 87 6.632 11.573 1.719 1.00 0.00 C ATOM 2287 C VAL B 87 6.488 10.069 1.898 1.00 0.00 C ATOM 2288 O VAL B 87 5.539 9.597 2.529 1.00 0.00 O ATOM 2289 CB VAL B 87 6.909 12.227 3.091 1.00 0.00 C ATOM 2290 CG1 VAL B 87 8.267 11.803 3.629 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.817 13.743 2.995 1.00 0.00 C ATOM 0 H VAL B 87 4.641 12.208 1.729 1.00 0.00 H new ATOM 0 HA VAL B 87 7.473 11.788 1.059 1.00 0.00 H new ATOM 0 HB VAL B 87 6.146 11.883 3.789 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.439 12.276 4.596 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.290 10.720 3.746 1.00 0.00 H new ATOM 0 HG13 VAL B 87 9.046 12.109 2.931 1.00 0.00 H new ATOM 0 HG21 VAL B 87 7.016 14.182 3.973 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.552 14.107 2.277 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.817 14.027 2.666 1.00 0.00 H new ATOM 2301 N ALA B 88 7.425 9.324 1.338 1.00 0.00 N ATOM 2302 CA ALA B 88 7.391 7.877 1.401 1.00 0.00 C ATOM 2303 C ALA B 88 8.761 7.319 1.759 1.00 0.00 C ATOM 2304 O ALA B 88 9.790 7.957 1.522 1.00 0.00 O ATOM 2305 CB ALA B 88 6.914 7.304 0.075 1.00 0.00 C ATOM 0 H ALA B 88 8.224 9.703 0.831 1.00 0.00 H new ATOM 0 HA ALA B 88 6.690 7.583 2.182 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.893 6.216 0.135 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.912 7.675 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.595 7.610 -0.720 1.00 0.00 H new ATOM 2311 N GLU B 89 8.764 6.125 2.326 1.00 0.00 N ATOM 2312 CA GLU B 89 9.997 5.450 2.690 1.00 0.00 C ATOM 2313 C GLU B 89 10.314 4.388 1.648 1.00 0.00 C ATOM 2314 O GLU B 89 9.457 3.575 1.303 1.00 0.00 O ATOM 2315 CB GLU B 89 9.859 4.786 4.060 1.00 0.00 C ATOM 2316 CG GLU B 89 9.389 5.718 5.163 1.00 0.00 C ATOM 2317 CD GLU B 89 9.245 5.003 6.490 1.00 0.00 C ATOM 2318 OE1 GLU B 89 8.172 4.413 6.739 1.00 0.00 O ATOM 2319 OE2 GLU B 89 10.212 5.019 7.283 1.00 0.00 O ATOM 0 H GLU B 89 7.918 5.599 2.546 1.00 0.00 H new ATOM 0 HA GLU B 89 10.801 6.184 2.733 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.158 3.956 3.979 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.823 4.363 4.344 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.098 6.539 5.269 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.432 6.157 4.883 1.00 0.00 H new ATOM 2326 N VAL B 90 11.537 4.401 1.150 1.00 0.00 N ATOM 2327 CA VAL B 90 11.951 3.462 0.121 1.00 0.00 C ATOM 2328 C VAL B 90 12.472 2.181 0.754 1.00 0.00 C ATOM 2329 O VAL B 90 13.466 2.198 1.480 1.00 0.00 O ATOM 2330 CB VAL B 90 13.041 4.070 -0.787 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.446 3.091 -1.879 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.563 5.381 -1.388 1.00 0.00 C ATOM 0 H VAL B 90 12.264 5.054 1.442 1.00 0.00 H new ATOM 0 HA VAL B 90 11.078 3.236 -0.491 1.00 0.00 H new ATOM 0 HB VAL B 90 13.920 4.273 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.215 3.543 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.837 2.180 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.577 2.848 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.344 5.795 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.666 5.203 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.335 6.086 -0.589 1.00 0.00 H new ATOM 2342 N TYR B 91 11.794 1.080 0.487 1.00 0.00 N ATOM 2343 CA TYR B 91 12.168 -0.204 1.052 1.00 0.00 C ATOM 2344 C TYR B 91 12.572 -1.190 -0.033 1.00 0.00 C ATOM 2345 O TYR B 91 12.047 -1.168 -1.147 1.00 0.00 O ATOM 2346 CB TYR B 91 11.015 -0.801 1.861 1.00 0.00 C ATOM 2347 CG TYR B 91 10.746 -0.105 3.175 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.554 -0.338 4.281 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.680 0.773 3.315 1.00 0.00 C ATOM 2350 CE1 TYR B 91 11.308 0.284 5.488 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.428 1.398 4.520 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.245 1.150 5.602 1.00 0.00 C ATOM 2353 OH TYR B 91 9.995 1.768 6.803 1.00 0.00 O ATOM 0 H TYR B 91 10.976 1.049 -0.122 1.00 0.00 H new ATOM 0 HA TYR B 91 13.020 -0.028 1.708 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.109 -0.770 1.256 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.231 -1.851 2.058 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.389 -1.018 4.195 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.038 0.970 2.469 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.946 0.092 6.338 1.00 0.00 H new ATOM 0 HE2 TYR B 91 8.594 2.078 4.614 1.00 0.00 H new ATOM 0 HH TYR B 91 9.191 2.323 6.724 1.00 0.00 H new ATOM 2363 N ASN B 92 13.521 -2.043 0.298 1.00 0.00 N ATOM 2364 CA ASN B 92 13.882 -3.163 -0.552 1.00 0.00 C ATOM 2365 C ASN B 92 13.989 -4.407 0.325 1.00 0.00 C ATOM 2366 O ASN B 92 13.770 -4.335 1.536 1.00 0.00 O ATOM 2367 CB ASN B 92 15.209 -2.889 -1.279 1.00 0.00 C ATOM 2368 CG ASN B 92 15.377 -3.699 -2.561 1.00 0.00 C ATOM 2369 OD1 ASN B 92 14.820 -4.785 -2.715 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.148 -3.172 -3.496 1.00 0.00 N ATOM 0 H ASN B 92 14.063 -1.981 1.160 1.00 0.00 H new ATOM 0 HA ASN B 92 13.120 -3.313 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.271 -1.827 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.036 -3.113 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.295 -3.668 -4.375 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.596 -2.269 -3.338 1.00 0.00 H new ATOM 2377 N ASP B 93 14.304 -5.537 -0.277 1.00 0.00 N ATOM 2378 CA ASP B 93 14.473 -6.776 0.460 1.00 0.00 C ATOM 2379 C ASP B 93 15.865 -6.816 1.089 1.00 0.00 C ATOM 2380 O ASP B 93 16.712 -5.976 0.779 1.00 0.00 O ATOM 2381 CB ASP B 93 14.265 -7.971 -0.480 1.00 0.00 C ATOM 2382 CG ASP B 93 14.379 -9.304 0.227 1.00 0.00 C ATOM 2383 OD1 ASP B 93 13.550 -9.579 1.115 1.00 0.00 O ATOM 2384 OD2 ASP B 93 15.320 -10.068 -0.079 1.00 0.00 O ATOM 0 H ASP B 93 14.449 -5.623 -1.283 1.00 0.00 H new ATOM 0 HA ASP B 93 13.732 -6.831 1.257 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.282 -7.895 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP B 93 15.001 -7.927 -1.283 1.00 0.00 H new ATOM 2389 N ALA B 94 16.104 -7.787 1.965 1.00 0.00 N ATOM 2390 CA ALA B 94 17.404 -7.939 2.616 1.00 0.00 C ATOM 2391 C ALA B 94 18.481 -8.319 1.602 1.00 0.00 C ATOM 2392 O ALA B 94 19.678 -8.292 1.901 1.00 0.00 O ATOM 2393 CB ALA B 94 17.320 -8.981 3.722 1.00 0.00 C ATOM 0 H ALA B 94 15.412 -8.484 2.242 1.00 0.00 H new ATOM 0 HA ALA B 94 17.680 -6.981 3.058 1.00 0.00 H new ATOM 0 HB1 ALA B 94 18.295 -9.085 4.199 1.00 0.00 H new ATOM 0 HB2 ALA B 94 16.585 -8.667 4.463 1.00 0.00 H new ATOM 0 HB3 ALA B 94 17.020 -9.939 3.297 1.00 0.00 H new