USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 THR OG1 : rot -76:sc= 0.389 USER MOD Set 1.2: A 99 LYS NZ :NH3+ -162:sc=-0.00935 (180deg=-0.15) USER MOD Set 2.1: A 67 SER OG : rot 62:sc= 0.929 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -4.42! C(o=-8.6!,f=-3.5!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.591 K(o=0.17,f=-1.7!) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.573 USER MOD Set 3.3: A 31 THR OG1 : rot -111:sc= 0.183 USER MOD Set 4.1: A 30 ASN :FLIP amide:sc= -0.139 F(o=0.55!,f=1.1) USER MOD Set 4.2: A 32 SER OG : rot 82:sc= 1.21 USER MOD Set 5.1: A 7 THR OG1 : rot -64:sc= 1.01 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.25 K(o=-1.2,f=-5.1!) USER MOD Set 6.1: A 3 LYS NZ :NH3+ -130:sc=-0.00964 (180deg=-0.208) USER MOD Set 6.2: A 6 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.2!) USER MOD Single : A 1 LEU N :NH3+ -127:sc= -1.32 (180deg=-4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -17:sc= 0.766 USER MOD Single : A 11 SER OG : rot 180:sc= -0.487 USER MOD Single : A 14 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.29) USER MOD Single : A 16 SER OG : rot 53:sc= -1.83! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 20 SER OG : rot 81:sc= -0.377 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.24 F(o=-2.7!,f=-1.2) USER MOD Single : A 38 SER OG : rot -44:sc= 0.0722 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -1.36 (180deg=-3.62!) USER MOD Single : A 50 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 61 THR OG1 : rot 140:sc= -0.968! USER MOD Single : A 62 GLN : amide:sc= 0.357 X(o=0.36,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -11:sc= 0.953 USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.699) USER MOD Single : A 90 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-3!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -4.310 -1.384 -14.935 1.00 0.00 N ATOM 2 CA LEU A 1 -3.854 -2.075 -13.733 1.00 0.00 C ATOM 3 C LEU A 1 -3.786 -1.105 -12.557 1.00 0.00 C ATOM 4 O LEU A 1 -3.466 0.072 -12.719 1.00 0.00 O ATOM 5 CB LEU A 1 -2.452 -2.688 -13.967 1.00 0.00 C ATOM 6 CG LEU A 1 -2.555 -4.060 -14.652 1.00 0.00 C ATOM 7 CD1 LEU A 1 -3.038 -3.882 -16.092 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.174 -4.724 -14.659 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.120 -1.894 -15.342 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.598 -0.415 -14.690 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.537 -1.350 -15.630 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.565 -2.870 -13.506 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.855 -2.015 -14.583 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.934 -2.792 -13.014 1.00 0.00 H new ATOM 0 HG LEU A 1 -3.263 -4.685 -14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.110 -4.857 -16.575 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.018 -3.405 -16.091 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.331 -3.258 -16.638 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.241 -5.698 -15.144 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.471 -4.095 -15.204 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.827 -4.852 -13.634 1.00 0.00 H new ATOM 22 N GLY A 2 -4.067 -1.626 -11.371 1.00 0.00 N ATOM 23 CA GLY A 2 -4.012 -0.830 -10.164 1.00 0.00 C ATOM 24 C GLY A 2 -5.154 0.158 -10.041 1.00 0.00 C ATOM 25 O GLY A 2 -6.321 -0.186 -10.222 1.00 0.00 O ATOM 0 H GLY A 2 -4.335 -2.599 -11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.021 -1.494 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.067 -0.287 -10.139 1.00 0.00 H new ATOM 29 N LYS A 3 -4.793 1.400 -9.759 1.00 0.00 N ATOM 30 CA LYS A 3 -5.773 2.471 -9.638 1.00 0.00 C ATOM 31 C LYS A 3 -6.983 2.057 -8.799 1.00 0.00 C ATOM 32 O LYS A 3 -8.104 2.470 -9.090 1.00 0.00 O ATOM 33 CB LYS A 3 -6.247 2.862 -11.038 1.00 0.00 C ATOM 34 CG LYS A 3 -5.081 3.452 -11.863 1.00 0.00 C ATOM 35 CD LYS A 3 -4.888 4.945 -11.547 1.00 0.00 C ATOM 36 CE LYS A 3 -3.924 5.567 -12.561 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.634 5.762 -13.856 1.00 0.00 N ATOM 0 H LYS A 3 -3.827 1.693 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.294 3.310 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.654 1.988 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.053 3.592 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.163 2.908 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.281 3.324 -12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.848 5.461 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.496 5.065 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.552 6.522 -12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.058 4.920 -12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.063 5.363 -14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.555 5.281 -13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.780 6.778 -14.022 1.00 0.00 H new ATOM 51 N PHE A 4 -6.771 1.258 -7.757 1.00 0.00 N ATOM 52 CA PHE A 4 -7.893 0.843 -6.917 1.00 0.00 C ATOM 53 C PHE A 4 -8.613 2.072 -6.361 1.00 0.00 C ATOM 54 O PHE A 4 -9.826 2.056 -6.160 1.00 0.00 O ATOM 55 CB PHE A 4 -7.420 -0.067 -5.765 1.00 0.00 C ATOM 56 CG PHE A 4 -6.710 0.741 -4.697 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.488 1.369 -4.999 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.266 0.864 -3.401 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.819 2.119 -4.016 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.593 1.616 -2.414 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.367 2.243 -2.720 1.00 0.00 C ATOM 0 H PHE A 4 -5.860 0.893 -7.478 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.587 0.271 -7.533 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.275 -0.583 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.749 -0.834 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.063 1.275 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.204 0.383 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.883 2.602 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.017 1.711 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.849 2.816 -1.966 1.00 0.00 H new ATOM 71 N SER A 5 -7.845 3.132 -6.117 1.00 0.00 N ATOM 72 CA SER A 5 -8.395 4.373 -5.580 1.00 0.00 C ATOM 73 C SER A 5 -9.549 4.895 -6.439 1.00 0.00 C ATOM 74 O SER A 5 -10.458 5.553 -5.932 1.00 0.00 O ATOM 75 CB SER A 5 -7.285 5.424 -5.493 1.00 0.00 C ATOM 76 OG SER A 5 -7.613 6.369 -4.483 1.00 0.00 O ATOM 0 H SER A 5 -6.839 3.155 -6.283 1.00 0.00 H new ATOM 0 HA SER A 5 -8.792 4.171 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.332 4.946 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.168 5.926 -6.453 1.00 0.00 H new ATOM 0 HG SER A 5 -6.904 7.043 -4.423 1.00 0.00 H new ATOM 82 N GLN A 6 -9.505 4.608 -7.736 1.00 0.00 N ATOM 83 CA GLN A 6 -10.554 5.067 -8.644 1.00 0.00 C ATOM 84 C GLN A 6 -11.907 4.481 -8.253 1.00 0.00 C ATOM 85 O GLN A 6 -12.948 5.090 -8.500 1.00 0.00 O ATOM 86 CB GLN A 6 -10.218 4.666 -10.088 1.00 0.00 C ATOM 87 CG GLN A 6 -9.083 5.542 -10.622 1.00 0.00 C ATOM 88 CD GLN A 6 -8.774 5.148 -12.068 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.207 4.112 -12.533 1.00 0.00 O ATOM 90 NE2 GLN A 6 -8.032 5.932 -12.800 1.00 0.00 N ATOM 0 H GLN A 6 -8.764 4.066 -8.180 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.610 6.153 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.927 3.616 -10.125 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.100 4.774 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.366 6.593 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.194 5.422 -10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.669 6.801 -12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.815 5.676 -13.763 1.00 0.00 H new ATOM 99 N THR A 7 -11.890 3.294 -7.645 1.00 0.00 N ATOM 100 CA THR A 7 -13.126 2.622 -7.225 1.00 0.00 C ATOM 101 C THR A 7 -13.018 2.166 -5.773 1.00 0.00 C ATOM 102 O THR A 7 -13.633 1.178 -5.371 1.00 0.00 O ATOM 103 CB THR A 7 -13.412 1.402 -8.124 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.417 0.592 -7.531 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.134 0.588 -8.300 1.00 0.00 C ATOM 0 H THR A 7 -11.037 2.777 -7.432 1.00 0.00 H new ATOM 0 HA THR A 7 -13.946 3.335 -7.318 1.00 0.00 H new ATOM 0 HB THR A 7 -13.760 1.746 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.087 0.231 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.336 -0.274 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.368 1.209 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.783 0.247 -7.326 1.00 0.00 H new ATOM 113 N CYS A 8 -12.245 2.913 -4.981 1.00 0.00 N ATOM 114 CA CYS A 8 -12.070 2.605 -3.558 1.00 0.00 C ATOM 115 C CYS A 8 -12.102 3.885 -2.733 1.00 0.00 C ATOM 116 O CYS A 8 -11.570 4.917 -3.142 1.00 0.00 O ATOM 117 CB CYS A 8 -10.755 1.854 -3.319 1.00 0.00 C ATOM 118 SG CYS A 8 -10.912 0.162 -3.941 1.00 0.00 S ATOM 0 H CYS A 8 -11.731 3.734 -5.299 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.893 1.962 -3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.934 2.364 -3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.518 1.842 -2.255 1.00 0.00 H new ATOM 123 N TYR A 9 -12.746 3.806 -1.568 1.00 0.00 N ATOM 124 CA TYR A 9 -12.875 4.952 -0.667 1.00 0.00 C ATOM 125 C TYR A 9 -12.742 4.502 0.786 1.00 0.00 C ATOM 126 O TYR A 9 -12.762 3.305 1.073 1.00 0.00 O ATOM 127 CB TYR A 9 -14.236 5.622 -0.876 1.00 0.00 C ATOM 128 CG TYR A 9 -15.345 4.632 -0.590 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.752 3.717 -1.586 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.976 4.622 0.673 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.788 2.795 -1.318 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.011 3.700 0.941 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.418 2.787 -0.055 1.00 0.00 C ATOM 134 OH TYR A 9 -18.468 1.925 0.187 1.00 0.00 O ATOM 0 H TYR A 9 -13.189 2.954 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.081 5.665 -0.889 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.330 6.487 -0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.318 5.988 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.271 3.722 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.666 5.321 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.098 2.096 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.491 3.693 1.908 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.824 1.596 -0.665 1.00 0.00 H new ATOM 144 N ASN A 10 -12.571 5.467 1.689 1.00 0.00 N ATOM 145 CA ASN A 10 -12.399 5.165 3.110 1.00 0.00 C ATOM 146 C ASN A 10 -11.144 4.329 3.301 1.00 0.00 C ATOM 147 O ASN A 10 -11.112 3.397 4.106 1.00 0.00 O ATOM 148 CB ASN A 10 -13.615 4.417 3.666 1.00 0.00 C ATOM 149 CG ASN A 10 -13.486 4.293 5.185 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.715 5.001 5.801 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.216 3.416 5.818 1.00 0.00 N ATOM 0 H ASN A 10 -12.548 6.461 1.463 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.302 6.104 3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.531 4.949 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.685 3.428 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.139 3.325 6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.863 2.822 5.300 1.00 0.00 H new ATOM 158 N SER A 11 -10.113 4.674 2.540 1.00 0.00 N ATOM 159 CA SER A 11 -8.845 3.966 2.599 1.00 0.00 C ATOM 160 C SER A 11 -8.064 4.349 3.847 1.00 0.00 C ATOM 161 O SER A 11 -8.139 5.483 4.318 1.00 0.00 O ATOM 162 CB SER A 11 -8.027 4.288 1.348 1.00 0.00 C ATOM 163 OG SER A 11 -8.766 3.924 0.192 1.00 0.00 O ATOM 0 H SER A 11 -10.133 5.444 1.872 1.00 0.00 H new ATOM 0 HA SER A 11 -9.044 2.895 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.789 5.351 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.080 3.749 1.371 1.00 0.00 H new ATOM 0 HG SER A 11 -8.242 4.132 -0.610 1.00 0.00 H new ATOM 169 N ALA A 12 -7.316 3.387 4.380 1.00 0.00 N ATOM 170 CA ALA A 12 -6.516 3.612 5.581 1.00 0.00 C ATOM 171 C ALA A 12 -5.307 2.691 5.583 1.00 0.00 C ATOM 172 O ALA A 12 -5.355 1.584 5.047 1.00 0.00 O ATOM 173 CB ALA A 12 -7.360 3.350 6.818 1.00 0.00 C ATOM 0 H ALA A 12 -7.247 2.443 3.999 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.175 4.647 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.759 3.519 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.216 4.024 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.711 2.318 6.807 1.00 0.00 H new ATOM 179 N ILE A 13 -4.214 3.157 6.185 1.00 0.00 N ATOM 180 CA ILE A 13 -2.980 2.373 6.257 1.00 0.00 C ATOM 181 C ILE A 13 -2.359 2.535 7.638 1.00 0.00 C ATOM 182 O ILE A 13 -2.305 3.641 8.176 1.00 0.00 O ATOM 183 CB ILE A 13 -1.968 2.832 5.173 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.475 2.372 3.785 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.575 2.216 5.445 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.791 3.152 2.638 1.00 0.00 C ATOM 0 H ILE A 13 -4.157 4.073 6.630 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.222 1.325 6.079 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.881 3.918 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.285 1.306 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.554 2.512 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.125 2.546 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.219 2.539 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.648 1.129 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.174 2.800 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.003 4.216 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.714 2.990 2.680 1.00 0.00 H new ATOM 198 N GLN A 14 -1.885 1.429 8.211 1.00 0.00 N ATOM 199 CA GLN A 14 -1.272 1.480 9.534 1.00 0.00 C ATOM 200 C GLN A 14 -0.308 0.315 9.738 1.00 0.00 C ATOM 201 O GLN A 14 -0.706 -0.810 10.040 1.00 0.00 O ATOM 202 CB GLN A 14 -2.365 1.472 10.615 1.00 0.00 C ATOM 203 CG GLN A 14 -1.804 1.987 11.948 1.00 0.00 C ATOM 204 CD GLN A 14 -1.410 3.462 11.812 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.257 4.332 11.764 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.146 3.778 11.735 1.00 0.00 N ATOM 0 H GLN A 14 -1.913 0.502 7.787 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.698 2.403 9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.201 2.096 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.752 0.461 10.742 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.549 1.872 12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.937 1.395 12.241 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.565 3.048 11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.130 4.755 11.635 1.00 0.00 H new ATOM 215 N GLY A 15 0.967 0.621 9.541 1.00 0.00 N ATOM 216 CA GLY A 15 2.036 -0.357 9.673 1.00 0.00 C ATOM 217 C GLY A 15 2.408 -0.951 8.331 1.00 0.00 C ATOM 218 O GLY A 15 3.374 -0.531 7.708 1.00 0.00 O ATOM 0 H GLY A 15 1.289 1.555 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.911 0.116 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.723 -1.152 10.350 1.00 0.00 H new ATOM 222 N SER A 16 1.633 -1.928 7.874 1.00 0.00 N ATOM 223 CA SER A 16 1.905 -2.563 6.585 1.00 0.00 C ATOM 224 C SER A 16 0.629 -3.189 6.028 1.00 0.00 C ATOM 225 O SER A 16 0.675 -4.139 5.248 1.00 0.00 O ATOM 226 CB SER A 16 3.013 -3.617 6.752 1.00 0.00 C ATOM 227 OG SER A 16 3.961 -3.463 5.706 1.00 0.00 O ATOM 0 H SER A 16 0.820 -2.296 8.368 1.00 0.00 H new ATOM 0 HA SER A 16 2.248 -1.811 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.499 -3.501 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.585 -4.619 6.728 1.00 0.00 H new ATOM 0 HG SER A 16 4.274 -2.534 5.682 1.00 0.00 H new ATOM 233 N VAL A 17 -0.507 -2.641 6.453 1.00 0.00 N ATOM 234 CA VAL A 17 -1.816 -3.133 6.016 1.00 0.00 C ATOM 235 C VAL A 17 -2.635 -2.026 5.373 1.00 0.00 C ATOM 236 O VAL A 17 -2.881 -0.987 5.975 1.00 0.00 O ATOM 237 CB VAL A 17 -2.607 -3.723 7.203 1.00 0.00 C ATOM 238 CG1 VAL A 17 -2.918 -2.630 8.237 1.00 0.00 C ATOM 239 CG2 VAL A 17 -3.914 -4.343 6.688 1.00 0.00 C ATOM 0 H VAL A 17 -0.550 -1.854 7.101 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.635 -3.914 5.278 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.003 -4.493 7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.476 -3.063 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.986 -2.205 8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.513 -1.846 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.474 -4.760 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.513 -3.575 6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.685 -5.135 5.975 1.00 0.00 H new ATOM 249 N LEU A 18 -3.092 -2.284 4.148 1.00 0.00 N ATOM 250 CA LEU A 18 -3.934 -1.338 3.421 1.00 0.00 C ATOM 251 C LEU A 18 -5.363 -1.823 3.584 1.00 0.00 C ATOM 252 O LEU A 18 -5.634 -2.997 3.367 1.00 0.00 O ATOM 253 CB LEU A 18 -3.529 -1.315 1.926 1.00 0.00 C ATOM 254 CG LEU A 18 -3.873 0.035 1.255 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.740 -0.116 -0.264 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.313 0.463 1.586 1.00 0.00 C ATOM 0 H LEU A 18 -2.892 -3.144 3.638 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.824 -0.324 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.459 -1.502 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.039 -2.122 1.400 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.187 0.794 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.981 0.831 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.718 -0.401 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.427 -0.886 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.530 1.415 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.010 -0.294 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.421 0.571 2.665 1.00 0.00 H new ATOM 268 N THR A 19 -6.279 -0.938 3.953 1.00 0.00 N ATOM 269 CA THR A 19 -7.679 -1.317 4.130 1.00 0.00 C ATOM 270 C THR A 19 -8.547 -0.216 3.552 1.00 0.00 C ATOM 271 O THR A 19 -8.342 0.961 3.850 1.00 0.00 O ATOM 272 CB THR A 19 -8.020 -1.492 5.625 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.259 -2.565 6.160 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.511 -1.794 5.788 1.00 0.00 C ATOM 0 H THR A 19 -6.081 0.046 4.136 1.00 0.00 H new ATOM 0 HA THR A 19 -7.858 -2.265 3.623 1.00 0.00 H new ATOM 0 HB THR A 19 -7.781 -0.571 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.473 -2.676 7.110 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.744 -1.916 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.096 -0.969 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.757 -2.712 5.254 1.00 0.00 H new ATOM 282 N SER A 20 -9.504 -0.586 2.712 1.00 0.00 N ATOM 283 CA SER A 20 -10.368 0.410 2.093 1.00 0.00 C ATOM 284 C SER A 20 -11.663 -0.208 1.600 1.00 0.00 C ATOM 285 O SER A 20 -11.683 -1.333 1.101 1.00 0.00 O ATOM 286 CB SER A 20 -9.642 1.047 0.906 1.00 0.00 C ATOM 287 OG SER A 20 -9.797 0.219 -0.234 1.00 0.00 O ATOM 0 H SER A 20 -9.700 -1.551 2.447 1.00 0.00 H new ATOM 0 HA SER A 20 -10.606 1.162 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.046 2.039 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.584 1.174 1.137 1.00 0.00 H new ATOM 0 HG SER A 20 -10.670 0.388 -0.645 1.00 0.00 H new ATOM 293 N THR A 21 -12.742 0.560 1.718 1.00 0.00 N ATOM 294 CA THR A 21 -14.048 0.117 1.256 1.00 0.00 C ATOM 295 C THR A 21 -14.147 0.367 -0.238 1.00 0.00 C ATOM 296 O THR A 21 -13.952 1.490 -0.694 1.00 0.00 O ATOM 297 CB THR A 21 -15.173 0.876 1.977 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.955 0.809 3.380 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.520 0.236 1.637 1.00 0.00 C ATOM 0 H THR A 21 -12.735 1.493 2.131 1.00 0.00 H new ATOM 0 HA THR A 21 -14.159 -0.945 1.474 1.00 0.00 H new ATOM 0 HB THR A 21 -15.178 1.918 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.669 1.293 3.845 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.318 0.774 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.683 0.282 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.520 -0.805 1.960 1.00 0.00 H new ATOM 307 N CYS A 22 -14.444 -0.683 -1.002 1.00 0.00 N ATOM 308 CA CYS A 22 -14.552 -0.569 -2.460 1.00 0.00 C ATOM 309 C CYS A 22 -15.887 -1.102 -2.945 1.00 0.00 C ATOM 310 O CYS A 22 -16.473 -1.997 -2.336 1.00 0.00 O ATOM 311 CB CYS A 22 -13.412 -1.350 -3.123 1.00 0.00 C ATOM 312 SG CYS A 22 -11.824 -0.824 -2.431 1.00 0.00 S ATOM 0 H CYS A 22 -14.614 -1.621 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.482 0.484 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.552 -2.419 -2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.423 -1.183 -4.200 1.00 0.00 H new ATOM 317 N GLU A 23 -16.364 -0.536 -4.047 1.00 0.00 N ATOM 318 CA GLU A 23 -17.637 -0.947 -4.618 1.00 0.00 C ATOM 319 C GLU A 23 -17.502 -2.295 -5.316 1.00 0.00 C ATOM 320 O GLU A 23 -16.664 -2.471 -6.201 1.00 0.00 O ATOM 321 CB GLU A 23 -18.133 0.112 -5.610 1.00 0.00 C ATOM 322 CG GLU A 23 -18.051 1.505 -4.962 1.00 0.00 C ATOM 323 CD GLU A 23 -18.910 2.507 -5.746 1.00 0.00 C ATOM 324 OE1 GLU A 23 -19.887 2.088 -6.344 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.576 3.681 -5.729 1.00 0.00 O ATOM 0 H GLU A 23 -15.889 0.206 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.363 -1.047 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.530 0.086 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.160 -0.103 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.392 1.454 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.015 1.843 -4.939 1.00 0.00 H new ATOM 332 N ARG A 24 -18.351 -3.234 -4.918 1.00 0.00 N ATOM 333 CA ARG A 24 -18.338 -4.561 -5.520 1.00 0.00 C ATOM 334 C ARG A 24 -18.817 -4.474 -6.957 1.00 0.00 C ATOM 335 O ARG A 24 -19.612 -3.600 -7.305 1.00 0.00 O ATOM 336 CB ARG A 24 -19.230 -5.543 -4.743 1.00 0.00 C ATOM 337 CG ARG A 24 -18.719 -5.717 -3.290 1.00 0.00 C ATOM 338 CD ARG A 24 -19.153 -7.085 -2.700 1.00 0.00 C ATOM 339 NE ARG A 24 -17.986 -8.017 -2.736 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.988 -9.105 -2.012 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.065 -9.457 -1.366 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.912 -9.838 -1.934 1.00 0.00 N ATOM 0 H ARG A 24 -19.051 -3.104 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.314 -4.934 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.257 -5.178 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.241 -6.509 -5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.632 -5.640 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.106 -4.911 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.505 -6.960 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.983 -7.497 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.184 -7.803 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.906 -8.883 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.066 -10.306 -0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.069 -9.562 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.913 -10.687 -1.369 1.00 0.00 H new ATOM 356 N THR A 25 -18.329 -5.383 -7.791 1.00 0.00 N ATOM 357 CA THR A 25 -18.712 -5.404 -9.197 1.00 0.00 C ATOM 358 C THR A 25 -20.015 -6.176 -9.373 1.00 0.00 C ATOM 359 O THR A 25 -20.734 -5.980 -10.352 1.00 0.00 O ATOM 360 CB THR A 25 -17.619 -6.081 -10.043 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.386 -5.404 -9.847 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.005 -6.024 -11.520 1.00 0.00 C ATOM 0 H THR A 25 -17.670 -6.113 -7.520 1.00 0.00 H new ATOM 0 HA THR A 25 -18.843 -4.374 -9.528 1.00 0.00 H new ATOM 0 HB THR A 25 -17.516 -7.122 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.688 -5.834 -10.383 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.230 -6.504 -12.117 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.952 -6.543 -11.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.109 -4.984 -11.829 1.00 0.00 H new ATOM 370 N ASN A 26 -20.309 -7.059 -8.414 1.00 0.00 N ATOM 371 CA ASN A 26 -21.527 -7.877 -8.455 1.00 0.00 C ATOM 372 C ASN A 26 -22.447 -7.526 -7.280 1.00 0.00 C ATOM 373 O ASN A 26 -23.625 -7.230 -7.469 1.00 0.00 O ATOM 374 CB ASN A 26 -21.131 -9.371 -8.404 1.00 0.00 C ATOM 375 CG ASN A 26 -22.163 -10.230 -9.146 1.00 0.00 C ATOM 376 OD1 ASN A 26 -23.266 -10.421 -8.673 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.846 -10.757 -10.297 1.00 0.00 N ATOM 0 H ASN A 26 -19.720 -7.226 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.069 -7.676 -9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.147 -9.507 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.057 -9.698 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.524 -11.329 -10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.920 -10.596 -10.694 1.00 0.00 H new ATOM 384 N GLY A 27 -21.903 -7.587 -6.068 1.00 0.00 N ATOM 385 CA GLY A 27 -22.682 -7.296 -4.870 1.00 0.00 C ATOM 386 C GLY A 27 -22.835 -5.806 -4.597 1.00 0.00 C ATOM 387 O GLY A 27 -23.169 -5.024 -5.486 1.00 0.00 O ATOM 0 H GLY A 27 -20.930 -7.834 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.671 -7.743 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.205 -7.768 -4.011 1.00 0.00 H new ATOM 391 N GLY A 28 -22.600 -5.435 -3.337 1.00 0.00 N ATOM 392 CA GLY A 28 -22.711 -4.044 -2.887 1.00 0.00 C ATOM 393 C GLY A 28 -21.356 -3.462 -2.550 1.00 0.00 C ATOM 394 O GLY A 28 -20.550 -3.208 -3.438 1.00 0.00 O ATOM 0 H GLY A 28 -22.328 -6.087 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.182 -3.445 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.358 -3.994 -2.011 1.00 0.00 H new ATOM 398 N TYR A 29 -21.110 -3.224 -1.260 1.00 0.00 N ATOM 399 CA TYR A 29 -19.836 -2.658 -0.805 1.00 0.00 C ATOM 400 C TYR A 29 -19.027 -3.724 -0.068 1.00 0.00 C ATOM 401 O TYR A 29 -19.575 -4.494 0.720 1.00 0.00 O ATOM 402 CB TYR A 29 -20.101 -1.486 0.143 1.00 0.00 C ATOM 403 CG TYR A 29 -20.895 -0.415 -0.577 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.311 0.282 -1.655 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.215 -0.106 -0.173 1.00 0.00 C ATOM 406 CE1 TYR A 29 -21.042 1.284 -2.330 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.943 0.898 -0.847 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.357 1.592 -1.927 1.00 0.00 C ATOM 409 OH TYR A 29 -23.004 2.679 -2.478 1.00 0.00 O ATOM 0 H TYR A 29 -21.776 -3.414 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.275 -2.310 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.650 -1.832 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.157 -1.074 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.303 0.049 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.666 -0.638 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.593 1.815 -3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.950 1.135 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.903 2.753 -2.095 1.00 0.00 H new ATOM 419 N ASN A 30 -17.719 -3.763 -0.326 1.00 0.00 N ATOM 420 CA ASN A 30 -16.829 -4.738 0.318 1.00 0.00 C ATOM 421 C ASN A 30 -15.571 -4.045 0.825 1.00 0.00 C ATOM 422 O ASN A 30 -14.913 -3.314 0.084 1.00 0.00 O ATOM 423 CB ASN A 30 -16.443 -5.830 -0.686 1.00 0.00 C ATOM 424 CG ASN A 30 -15.391 -6.760 -0.077 1.00 0.00 C ATOM 425 OD1 ASN A 30 -14.140 -6.392 -0.082 1.00 0.00 O flip ATOM 426 ND2 ASN A 30 -15.709 -7.828 0.406 1.00 0.00 N flip ATOM 0 H ASN A 30 -17.250 -3.132 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.352 -5.189 1.161 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.326 -6.403 -0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.054 -5.375 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.688 -8.115 0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.997 -8.438 0.808 1.00 0.00 H new ATOM 433 N THR A 31 -15.238 -4.286 2.096 1.00 0.00 N ATOM 434 CA THR A 31 -14.049 -3.689 2.715 1.00 0.00 C ATOM 435 C THR A 31 -13.049 -4.763 3.103 1.00 0.00 C ATOM 436 O THR A 31 -13.136 -5.355 4.178 1.00 0.00 O ATOM 437 CB THR A 31 -14.425 -2.884 3.977 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.530 -2.040 3.686 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.234 -2.030 4.420 1.00 0.00 C ATOM 0 H THR A 31 -15.775 -4.891 2.718 1.00 0.00 H new ATOM 0 HA THR A 31 -13.603 -3.020 1.979 1.00 0.00 H new ATOM 0 HB THR A 31 -14.691 -3.573 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.236 -1.105 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.504 -1.463 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.386 -2.677 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.963 -1.341 3.620 1.00 0.00 H new ATOM 447 N SER A 32 -12.087 -4.995 2.215 1.00 0.00 N ATOM 448 CA SER A 32 -11.039 -5.985 2.447 1.00 0.00 C ATOM 449 C SER A 32 -9.731 -5.275 2.753 1.00 0.00 C ATOM 450 O SER A 32 -9.669 -4.045 2.766 1.00 0.00 O ATOM 451 CB SER A 32 -10.866 -6.860 1.204 1.00 0.00 C ATOM 452 OG SER A 32 -11.995 -7.711 1.071 1.00 0.00 O ATOM 0 H SER A 32 -12.011 -4.508 1.322 1.00 0.00 H new ATOM 0 HA SER A 32 -11.320 -6.614 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.760 -6.236 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.956 -7.454 1.286 1.00 0.00 H new ATOM 0 HG SER A 32 -12.729 -7.218 0.648 1.00 0.00 H new ATOM 458 N SER A 33 -8.682 -6.053 2.989 1.00 0.00 N ATOM 459 CA SER A 33 -7.370 -5.487 3.285 1.00 0.00 C ATOM 460 C SER A 33 -6.277 -6.329 2.644 1.00 0.00 C ATOM 461 O SER A 33 -6.461 -7.521 2.397 1.00 0.00 O ATOM 462 CB SER A 33 -7.153 -5.421 4.797 1.00 0.00 C ATOM 463 OG SER A 33 -7.401 -6.700 5.366 1.00 0.00 O ATOM 0 H SER A 33 -8.712 -7.073 2.982 1.00 0.00 H new ATOM 0 HA SER A 33 -7.326 -4.478 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.133 -5.105 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.818 -4.679 5.239 1.00 0.00 H new ATOM 0 HG SER A 33 -7.261 -6.660 6.335 1.00 0.00 H new ATOM 469 N ILE A 34 -5.139 -5.697 2.366 1.00 0.00 N ATOM 470 CA ILE A 34 -4.010 -6.386 1.739 1.00 0.00 C ATOM 471 C ILE A 34 -2.702 -5.904 2.358 1.00 0.00 C ATOM 472 O ILE A 34 -2.421 -4.706 2.397 1.00 0.00 O ATOM 473 CB ILE A 34 -4.003 -6.130 0.210 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.770 -6.771 -0.454 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.004 -4.627 -0.071 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.760 -8.290 -0.212 1.00 0.00 C ATOM 0 H ILE A 34 -4.973 -4.710 2.564 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.112 -7.458 1.910 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.901 -6.584 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.778 -6.567 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.860 -6.326 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.999 -4.458 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.897 -4.176 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.117 -4.174 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.883 -8.728 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.729 -8.488 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.661 -8.732 -0.636 1.00 0.00 H new ATOM 488 N ASP A 35 -1.907 -6.849 2.854 1.00 0.00 N ATOM 489 CA ASP A 35 -0.636 -6.506 3.477 1.00 0.00 C ATOM 490 C ASP A 35 0.369 -6.087 2.408 1.00 0.00 C ATOM 491 O ASP A 35 0.698 -6.859 1.509 1.00 0.00 O ATOM 492 CB ASP A 35 -0.107 -7.707 4.302 1.00 0.00 C ATOM 493 CG ASP A 35 0.569 -7.219 5.596 1.00 0.00 C ATOM 494 OD1 ASP A 35 -0.005 -6.370 6.260 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.643 -7.705 5.901 1.00 0.00 O ATOM 0 H ASP A 35 -2.119 -7.847 2.836 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.781 -5.667 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.930 -8.378 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.605 -8.279 3.707 1.00 0.00 H new ATOM 500 N LEU A 36 0.851 -4.858 2.523 1.00 0.00 N ATOM 501 CA LEU A 36 1.819 -4.336 1.576 1.00 0.00 C ATOM 502 C LEU A 36 3.171 -4.980 1.820 1.00 0.00 C ATOM 503 O LEU A 36 4.110 -4.782 1.058 1.00 0.00 O ATOM 504 CB LEU A 36 1.963 -2.820 1.768 1.00 0.00 C ATOM 505 CG LEU A 36 0.601 -2.111 1.601 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.636 -0.751 2.309 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.299 -1.885 0.113 1.00 0.00 C ATOM 0 H LEU A 36 0.587 -4.207 3.262 1.00 0.00 H new ATOM 0 HA LEU A 36 1.476 -4.555 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.367 -2.612 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.675 -2.424 1.044 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.174 -2.740 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.326 -0.254 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.839 -0.898 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.421 -0.133 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.664 -1.385 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.080 -1.264 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.266 -2.845 -0.402 1.00 0.00 H new ATOM 519 N ASN A 37 3.260 -5.756 2.893 1.00 0.00 N ATOM 520 CA ASN A 37 4.509 -6.415 3.239 1.00 0.00 C ATOM 521 C ASN A 37 4.841 -7.542 2.282 1.00 0.00 C ATOM 522 O ASN A 37 6.001 -7.925 2.166 1.00 0.00 O ATOM 523 CB ASN A 37 4.450 -6.971 4.660 1.00 0.00 C ATOM 524 CG ASN A 37 5.789 -7.635 5.001 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.807 -6.894 5.339 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.909 -8.842 4.949 1.00 0.00 N flip ATOM 0 H ASN A 37 2.488 -5.942 3.533 1.00 0.00 H new ATOM 0 HA ASN A 37 5.292 -5.660 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.238 -6.170 5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.640 -7.695 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.113 -9.423 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.806 -9.275 5.170 1.00 0.00 H new ATOM 533 N SER A 38 3.843 -8.112 1.613 1.00 0.00 N ATOM 534 CA SER A 38 4.093 -9.222 0.702 1.00 0.00 C ATOM 535 C SER A 38 4.420 -8.728 -0.707 1.00 0.00 C ATOM 536 O SER A 38 4.616 -9.535 -1.616 1.00 0.00 O ATOM 537 CB SER A 38 2.845 -10.112 0.665 1.00 0.00 C ATOM 538 OG SER A 38 3.205 -11.413 0.229 1.00 0.00 O ATOM 0 H SER A 38 2.866 -7.828 1.683 1.00 0.00 H new ATOM 0 HA SER A 38 4.955 -9.785 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.391 -10.161 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.100 -9.685 -0.007 1.00 0.00 H new ATOM 0 HG SER A 38 3.817 -11.345 -0.533 1.00 0.00 H new ATOM 544 N VAL A 39 4.463 -7.407 -0.899 1.00 0.00 N ATOM 545 CA VAL A 39 4.750 -6.851 -2.228 1.00 0.00 C ATOM 546 C VAL A 39 5.609 -5.582 -2.149 1.00 0.00 C ATOM 547 O VAL A 39 5.769 -4.884 -3.148 1.00 0.00 O ATOM 548 CB VAL A 39 3.431 -6.525 -2.969 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.752 -7.825 -3.406 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.487 -5.767 -2.033 1.00 0.00 C ATOM 0 H VAL A 39 4.306 -6.713 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 39 5.310 -7.608 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 39 3.657 -5.913 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.823 -7.593 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.415 -8.375 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.533 -8.434 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.559 -5.539 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.268 -6.382 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.960 -4.839 -1.713 1.00 0.00 H new ATOM 560 N ILE A 40 6.180 -5.291 -0.973 1.00 0.00 N ATOM 561 CA ILE A 40 7.040 -4.101 -0.810 1.00 0.00 C ATOM 562 C ILE A 40 8.280 -4.452 0.025 1.00 0.00 C ATOM 563 O ILE A 40 8.176 -5.139 1.034 1.00 0.00 O ATOM 564 CB ILE A 40 6.275 -2.934 -0.118 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.116 -2.425 -1.013 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.234 -1.782 0.216 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.604 -1.452 -2.096 1.00 0.00 C ATOM 0 H ILE A 40 6.067 -5.852 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 40 7.342 -3.778 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 40 5.850 -3.314 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.624 -3.275 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.370 -1.930 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.681 -0.976 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.013 -2.141 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.689 -1.410 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.757 -1.123 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.072 -0.588 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.330 -1.954 -2.736 1.00 0.00 H new ATOM 579 N ALA A 41 9.454 -3.963 -0.410 1.00 0.00 N ATOM 580 CA ALA A 41 10.730 -4.218 0.293 1.00 0.00 C ATOM 581 C ALA A 41 11.426 -2.901 0.657 1.00 0.00 C ATOM 582 O ALA A 41 11.221 -1.879 0.002 1.00 0.00 O ATOM 583 CB ALA A 41 11.651 -5.041 -0.607 1.00 0.00 C ATOM 0 H ALA A 41 9.549 -3.387 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 41 10.515 -4.765 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.592 -5.229 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.172 -5.990 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.847 -4.491 -1.527 1.00 0.00 H new ATOM 589 N ALA A 42 12.255 -2.938 1.709 1.00 0.00 N ATOM 590 CA ALA A 42 12.997 -1.749 2.162 1.00 0.00 C ATOM 591 C ALA A 42 14.487 -1.900 1.872 1.00 0.00 C ATOM 592 O ALA A 42 15.150 -2.769 2.438 1.00 0.00 O ATOM 593 CB ALA A 42 12.817 -1.551 3.662 1.00 0.00 C ATOM 0 H ALA A 42 12.430 -3.776 2.263 1.00 0.00 H new ATOM 0 HA ALA A 42 12.603 -0.888 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.371 -0.669 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.759 -1.416 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.192 -2.427 4.192 1.00 0.00 H new ATOM 599 N VAL A 43 15.010 -1.047 0.990 1.00 0.00 N ATOM 600 CA VAL A 43 16.432 -1.082 0.629 1.00 0.00 C ATOM 601 C VAL A 43 17.040 0.312 0.731 1.00 0.00 C ATOM 602 O VAL A 43 16.711 1.200 -0.056 1.00 0.00 O ATOM 603 CB VAL A 43 16.619 -1.594 -0.811 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.112 -1.627 -1.155 1.00 0.00 C ATOM 605 CG2 VAL A 43 16.036 -3.005 -0.926 1.00 0.00 C ATOM 0 H VAL A 43 14.473 -0.324 0.512 1.00 0.00 H new ATOM 0 HA VAL A 43 16.932 -1.758 1.323 1.00 0.00 H new ATOM 0 HB VAL A 43 16.104 -0.928 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.243 -1.990 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.527 -0.623 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.630 -2.292 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.167 -3.371 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.552 -3.669 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.974 -2.981 -0.683 1.00 0.00 H new ATOM 615 N ASP A 44 17.923 0.494 1.710 1.00 0.00 N ATOM 616 CA ASP A 44 18.581 1.780 1.925 1.00 0.00 C ATOM 617 C ASP A 44 17.565 2.884 2.167 1.00 0.00 C ATOM 618 O ASP A 44 17.827 4.051 1.882 1.00 0.00 O ATOM 619 CB ASP A 44 19.456 2.149 0.724 1.00 0.00 C ATOM 620 CG ASP A 44 20.619 1.165 0.621 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.977 0.597 1.636 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.131 0.996 -0.472 1.00 0.00 O ATOM 0 H ASP A 44 18.200 -0.235 2.368 1.00 0.00 H new ATOM 0 HA ASP A 44 19.209 1.680 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.864 2.127 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.834 3.165 0.834 1.00 0.00 H new ATOM 627 N GLY A 45 16.404 2.519 2.697 1.00 0.00 N ATOM 628 CA GLY A 45 15.368 3.493 2.975 1.00 0.00 C ATOM 629 C GLY A 45 14.560 3.830 1.740 1.00 0.00 C ATOM 630 O GLY A 45 14.213 4.988 1.513 1.00 0.00 O ATOM 0 H GLY A 45 16.161 1.559 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.704 3.106 3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.822 4.402 3.371 1.00 0.00 H new ATOM 634 N SER A 46 14.264 2.814 0.930 1.00 0.00 N ATOM 635 CA SER A 46 13.497 3.014 -0.304 1.00 0.00 C ATOM 636 C SER A 46 12.466 1.902 -0.487 1.00 0.00 C ATOM 637 O SER A 46 12.815 0.722 -0.532 1.00 0.00 O ATOM 638 CB SER A 46 14.462 3.037 -1.497 1.00 0.00 C ATOM 639 OG SER A 46 13.865 3.749 -2.571 1.00 0.00 O ATOM 0 H SER A 46 14.541 1.848 1.103 1.00 0.00 H new ATOM 0 HA SER A 46 12.964 3.963 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.401 3.509 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.699 2.019 -1.807 1.00 0.00 H new ATOM 0 HG SER A 46 14.480 3.767 -3.334 1.00 0.00 H new ATOM 645 N LEU A 47 11.191 2.283 -0.591 1.00 0.00 N ATOM 646 CA LEU A 47 10.112 1.311 -0.771 1.00 0.00 C ATOM 647 C LEU A 47 9.841 1.081 -2.253 1.00 0.00 C ATOM 648 O LEU A 47 9.498 2.010 -2.983 1.00 0.00 O ATOM 649 CB LEU A 47 8.833 1.826 -0.108 1.00 0.00 C ATOM 650 CG LEU A 47 9.068 2.064 1.389 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.800 2.672 2.000 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.404 0.737 2.100 1.00 0.00 C ATOM 0 H LEU A 47 10.882 3.254 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 47 10.418 0.371 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.516 2.753 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.028 1.105 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 47 9.908 2.746 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.956 2.845 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.576 3.618 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.965 1.985 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.568 0.924 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.576 0.039 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.306 0.309 1.664 1.00 0.00 H new ATOM 664 N LYS A 48 9.989 -0.172 -2.687 1.00 0.00 N ATOM 665 CA LYS A 48 9.753 -0.546 -4.088 1.00 0.00 C ATOM 666 C LYS A 48 8.848 -1.775 -4.124 1.00 0.00 C ATOM 667 O LYS A 48 8.701 -2.468 -3.126 1.00 0.00 O ATOM 668 CB LYS A 48 11.098 -0.826 -4.838 1.00 0.00 C ATOM 669 CG LYS A 48 12.291 -0.850 -3.863 1.00 0.00 C ATOM 670 CD LYS A 48 12.259 -2.134 -3.003 1.00 0.00 C ATOM 671 CE LYS A 48 12.800 -3.354 -3.789 1.00 0.00 C ATOM 672 NZ LYS A 48 11.674 -4.039 -4.481 1.00 0.00 N ATOM 0 H LYS A 48 10.272 -0.948 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 48 9.267 0.284 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.033 -1.781 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.260 -0.059 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.226 -0.802 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.259 0.028 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.855 -1.986 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.237 -2.332 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.544 -3.030 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.298 -4.046 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.616 -5.025 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.783 -3.549 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.836 -4.022 -5.508 1.00 0.00 H new ATOM 686 N TRP A 49 8.238 -2.023 -5.277 1.00 0.00 N ATOM 687 CA TRP A 49 7.332 -3.159 -5.434 1.00 0.00 C ATOM 688 C TRP A 49 8.096 -4.476 -5.538 1.00 0.00 C ATOM 689 O TRP A 49 9.290 -4.535 -5.251 1.00 0.00 O ATOM 690 CB TRP A 49 6.478 -2.950 -6.689 1.00 0.00 C ATOM 691 CG TRP A 49 5.508 -1.848 -6.438 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.553 -0.620 -7.004 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.359 -1.856 -5.553 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.494 0.128 -6.525 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.729 -0.588 -5.628 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.799 -2.836 -4.696 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.585 -0.298 -4.881 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.642 -2.547 -3.937 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.035 -1.277 -4.030 1.00 0.00 C ATOM 0 H TRP A 49 8.353 -1.455 -6.117 1.00 0.00 H new ATOM 0 HA TRP A 49 6.695 -3.216 -4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.113 -2.706 -7.540 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.948 -3.868 -6.941 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.294 -0.280 -7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.302 1.091 -6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.259 -3.810 -4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.123 0.675 -4.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.222 -3.299 -3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.151 -1.056 -3.450 1.00 0.00 H new ATOM 710 N GLN A 50 7.380 -5.530 -5.942 1.00 0.00 N ATOM 711 CA GLN A 50 7.957 -6.869 -6.089 1.00 0.00 C ATOM 712 C GLN A 50 8.985 -7.161 -5.001 1.00 0.00 C ATOM 713 O GLN A 50 10.097 -7.606 -5.286 1.00 0.00 O ATOM 714 CB GLN A 50 8.601 -7.034 -7.473 1.00 0.00 C ATOM 715 CG GLN A 50 9.657 -5.946 -7.719 1.00 0.00 C ATOM 716 CD GLN A 50 10.480 -6.307 -8.956 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.554 -5.541 -9.895 1.00 0.00 O ATOM 718 NE2 GLN A 50 11.106 -7.451 -8.994 1.00 0.00 N ATOM 0 H GLN A 50 6.388 -5.479 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 50 7.142 -7.585 -5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.063 -8.018 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.833 -6.982 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.173 -4.979 -7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.308 -5.853 -6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.043 -8.093 -8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.659 -7.703 -9.813 1.00 0.00 H new ATOM 727 N GLY A 51 8.608 -6.911 -3.750 1.00 0.00 N ATOM 728 CA GLY A 51 9.507 -7.148 -2.635 1.00 0.00 C ATOM 729 C GLY A 51 8.767 -7.447 -1.347 1.00 0.00 C ATOM 730 O GLY A 51 7.537 -7.460 -1.314 1.00 0.00 O ATOM 0 H GLY A 51 7.692 -6.547 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.165 -7.983 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.141 -6.273 -2.491 1.00 0.00 H new ATOM 734 N SER A 52 9.527 -7.690 -0.277 1.00 0.00 N ATOM 735 CA SER A 52 8.939 -7.997 1.026 1.00 0.00 C ATOM 736 C SER A 52 9.906 -7.624 2.153 1.00 0.00 C ATOM 737 O SER A 52 11.030 -7.192 1.897 1.00 0.00 O ATOM 738 CB SER A 52 8.600 -9.489 1.097 1.00 0.00 C ATOM 739 OG SER A 52 9.687 -10.242 0.577 1.00 0.00 O ATOM 0 H SER A 52 10.547 -7.680 -0.288 1.00 0.00 H new ATOM 0 HA SER A 52 8.027 -7.413 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.401 -9.780 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.694 -9.695 0.527 1.00 0.00 H new ATOM 0 HG SER A 52 9.474 -11.198 0.622 1.00 0.00 H new ATOM 745 N ASN A 53 9.451 -7.790 3.396 1.00 0.00 N ATOM 746 CA ASN A 53 10.265 -7.473 4.573 1.00 0.00 C ATOM 747 C ASN A 53 10.664 -5.992 4.598 1.00 0.00 C ATOM 748 O ASN A 53 11.840 -5.663 4.752 1.00 0.00 O ATOM 749 CB ASN A 53 11.527 -8.372 4.617 1.00 0.00 C ATOM 750 CG ASN A 53 11.176 -9.748 5.196 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.388 -10.762 4.561 1.00 0.00 O ATOM 752 ND2 ASN A 53 10.651 -9.823 6.388 1.00 0.00 N ATOM 0 H ASN A 53 8.520 -8.143 3.615 1.00 0.00 H new ATOM 0 HA ASN A 53 9.660 -7.670 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.937 -8.485 3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.298 -7.899 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.419 -10.733 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.473 -8.972 6.921 1.00 0.00 H new ATOM 759 N PHE A 54 9.673 -5.098 4.472 1.00 0.00 N ATOM 760 CA PHE A 54 9.933 -3.647 4.511 1.00 0.00 C ATOM 761 C PHE A 54 9.469 -3.074 5.849 1.00 0.00 C ATOM 762 O PHE A 54 10.078 -2.150 6.388 1.00 0.00 O ATOM 763 CB PHE A 54 9.222 -2.934 3.330 1.00 0.00 C ATOM 764 CG PHE A 54 7.831 -2.463 3.701 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.665 -1.276 4.441 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.709 -3.198 3.291 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.371 -0.821 4.768 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.412 -2.752 3.621 1.00 0.00 C ATOM 769 CZ PHE A 54 5.242 -1.562 4.361 1.00 0.00 C ATOM 0 H PHE A 54 8.692 -5.348 4.343 1.00 0.00 H new ATOM 0 HA PHE A 54 11.005 -3.476 4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.820 -2.080 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.159 -3.615 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.530 -0.713 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.838 -4.107 2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.245 0.093 5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.549 -3.321 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.250 -1.220 4.615 1.00 0.00 H new ATOM 779 N ILE A 55 8.384 -3.635 6.371 1.00 0.00 N ATOM 780 CA ILE A 55 7.838 -3.178 7.641 1.00 0.00 C ATOM 781 C ILE A 55 8.837 -3.422 8.760 1.00 0.00 C ATOM 782 O ILE A 55 8.953 -2.623 9.689 1.00 0.00 O ATOM 783 CB ILE A 55 6.523 -3.917 7.978 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.909 -3.359 9.281 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.805 -5.414 8.157 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.621 -1.848 9.148 1.00 0.00 C ATOM 0 H ILE A 55 7.869 -4.401 5.937 1.00 0.00 H new ATOM 0 HA ILE A 55 7.635 -2.111 7.549 1.00 0.00 H new ATOM 0 HB ILE A 55 5.820 -3.766 7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.986 -3.891 9.510 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.591 -3.532 10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.877 -5.933 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.221 -5.819 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.518 -5.555 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.189 -1.477 10.077 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.551 -1.317 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.920 -1.682 8.330 1.00 0.00 H new ATOM 798 N GLU A 56 9.553 -4.534 8.667 1.00 0.00 N ATOM 799 CA GLU A 56 10.535 -4.876 9.683 1.00 0.00 C ATOM 800 C GLU A 56 11.538 -3.741 9.863 1.00 0.00 C ATOM 801 O GLU A 56 12.071 -3.548 10.955 1.00 0.00 O ATOM 802 CB GLU A 56 11.261 -6.174 9.298 1.00 0.00 C ATOM 803 CG GLU A 56 11.971 -6.029 7.916 1.00 0.00 C ATOM 804 CD GLU A 56 13.497 -5.983 8.091 1.00 0.00 C ATOM 805 OE1 GLU A 56 14.009 -6.773 8.868 1.00 0.00 O ATOM 806 OE2 GLU A 56 14.124 -5.163 7.442 1.00 0.00 O ATOM 0 H GLU A 56 9.473 -5.208 7.906 1.00 0.00 H new ATOM 0 HA GLU A 56 10.017 -5.029 10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.995 -6.425 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.547 -6.997 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.699 -6.866 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.629 -5.121 7.420 1.00 0.00 H new ATOM 813 N ALA A 57 11.803 -2.993 8.784 1.00 0.00 N ATOM 814 CA ALA A 57 12.757 -1.876 8.829 1.00 0.00 C ATOM 815 C ALA A 57 12.058 -0.539 8.579 1.00 0.00 C ATOM 816 O ALA A 57 12.713 0.453 8.261 1.00 0.00 O ATOM 817 CB ALA A 57 13.836 -2.093 7.776 1.00 0.00 C ATOM 0 H ALA A 57 11.372 -3.140 7.871 1.00 0.00 H new ATOM 0 HA ALA A 57 13.204 -1.844 9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.546 -1.266 7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.359 -3.028 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.377 -2.141 6.789 1.00 0.00 H new ATOM 823 N CYS A 58 10.727 -0.509 8.714 1.00 0.00 N ATOM 824 CA CYS A 58 9.968 0.730 8.490 1.00 0.00 C ATOM 825 C CYS A 58 8.855 0.890 9.518 1.00 0.00 C ATOM 826 O CYS A 58 8.422 -0.079 10.138 1.00 0.00 O ATOM 827 CB CYS A 58 9.357 0.724 7.090 1.00 0.00 C ATOM 828 SG CYS A 58 10.664 0.502 5.862 1.00 0.00 S ATOM 0 H CYS A 58 10.159 -1.315 8.973 1.00 0.00 H new ATOM 0 HA CYS A 58 10.660 1.566 8.591 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.624 -0.078 7.005 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.828 1.660 6.909 1.00 0.00 H new ATOM 833 N ARG A 59 8.392 2.130 9.683 1.00 0.00 N ATOM 834 CA ARG A 59 7.317 2.428 10.629 1.00 0.00 C ATOM 835 C ARG A 59 6.599 3.715 10.235 1.00 0.00 C ATOM 836 O ARG A 59 6.938 4.345 9.233 1.00 0.00 O ATOM 837 CB ARG A 59 7.873 2.562 12.058 1.00 0.00 C ATOM 838 CG ARG A 59 8.939 3.700 12.154 1.00 0.00 C ATOM 839 CD ARG A 59 10.362 3.121 12.186 1.00 0.00 C ATOM 840 NE ARG A 59 11.337 4.223 12.425 1.00 0.00 N ATOM 841 CZ ARG A 59 11.421 4.777 13.606 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.729 4.298 14.603 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.199 5.809 13.788 1.00 0.00 N ATOM 0 H ARG A 59 8.744 2.942 9.175 1.00 0.00 H new ATOM 0 HA ARG A 59 6.606 1.602 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.056 2.768 12.749 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.320 1.617 12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.835 4.373 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.764 4.293 13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.444 2.371 12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.585 2.621 11.243 1.00 0.00 H new ATOM 0 HE ARG A 59 11.939 4.545 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.122 3.491 14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.795 4.731 15.524 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.741 6.183 13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.265 6.242 14.709 1.00 0.00 H new ATOM 857 N ASN A 60 5.606 4.102 11.031 1.00 0.00 N ATOM 858 CA ASN A 60 4.848 5.316 10.754 1.00 0.00 C ATOM 859 C ASN A 60 4.334 5.298 9.326 1.00 0.00 C ATOM 860 O ASN A 60 4.567 6.233 8.562 1.00 0.00 O ATOM 861 CB ASN A 60 5.731 6.547 10.950 1.00 0.00 C ATOM 862 CG ASN A 60 6.252 6.581 12.385 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.508 6.363 13.319 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.511 6.849 12.599 1.00 0.00 N ATOM 0 H ASN A 60 5.310 3.597 11.866 1.00 0.00 H new ATOM 0 HA ASN A 60 4.006 5.359 11.444 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.566 6.523 10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.162 7.452 10.737 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.872 6.876 13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.134 7.032 11.813 1.00 0.00 H new ATOM 871 N THR A 61 3.621 4.237 8.971 1.00 0.00 N ATOM 872 CA THR A 61 3.064 4.105 7.631 1.00 0.00 C ATOM 873 C THR A 61 1.627 4.614 7.627 1.00 0.00 C ATOM 874 O THR A 61 0.879 4.390 8.578 1.00 0.00 O ATOM 875 CB THR A 61 3.112 2.624 7.182 1.00 0.00 C ATOM 876 OG1 THR A 61 1.988 1.935 7.707 1.00 0.00 O ATOM 877 CG2 THR A 61 4.407 1.959 7.697 1.00 0.00 C ATOM 0 H THR A 61 3.415 3.455 9.593 1.00 0.00 H new ATOM 0 HA THR A 61 3.654 4.698 6.932 1.00 0.00 H new ATOM 0 HB THR A 61 3.095 2.580 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.637 1.318 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.433 0.917 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.272 2.485 7.292 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.431 2.005 8.786 1.00 0.00 H new ATOM 885 N GLN A 62 1.250 5.311 6.559 1.00 0.00 N ATOM 886 CA GLN A 62 -0.099 5.862 6.458 1.00 0.00 C ATOM 887 C GLN A 62 -0.455 6.165 5.007 1.00 0.00 C ATOM 888 O GLN A 62 0.357 5.985 4.103 1.00 0.00 O ATOM 889 CB GLN A 62 -0.198 7.158 7.277 1.00 0.00 C ATOM 890 CG GLN A 62 0.944 8.140 6.881 1.00 0.00 C ATOM 891 CD GLN A 62 0.433 9.588 6.894 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.795 10.367 7.753 1.00 0.00 O ATOM 893 NE2 GLN A 62 -0.397 9.978 5.966 1.00 0.00 N ATOM 0 H GLN A 62 1.852 5.507 5.759 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.796 5.120 6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.166 7.629 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.136 6.929 8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.779 8.036 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.320 7.889 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.700 9.323 5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.742 10.938 5.961 1.00 0.00 H new ATOM 902 N LEU A 63 -1.681 6.639 4.800 1.00 0.00 N ATOM 903 CA LEU A 63 -2.162 6.984 3.462 1.00 0.00 C ATOM 904 C LEU A 63 -1.998 8.476 3.211 1.00 0.00 C ATOM 905 O LEU A 63 -2.335 9.297 4.063 1.00 0.00 O ATOM 906 CB LEU A 63 -3.635 6.583 3.346 1.00 0.00 C ATOM 907 CG LEU A 63 -4.225 7.020 1.967 1.00 0.00 C ATOM 908 CD1 LEU A 63 -5.106 5.896 1.392 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.077 8.293 2.136 1.00 0.00 C ATOM 0 H LEU A 63 -2.362 6.794 5.543 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.578 6.448 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.732 5.504 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.206 7.043 4.153 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.400 7.223 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.513 6.209 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.506 4.996 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.924 5.686 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.484 8.590 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.895 8.094 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.456 9.097 2.530 1.00 0.00 H new ATOM 921 N ALA A 64 -1.459 8.821 2.039 1.00 0.00 N ATOM 922 CA ALA A 64 -1.227 10.225 1.676 1.00 0.00 C ATOM 923 C ALA A 64 -1.868 10.568 0.334 1.00 0.00 C ATOM 924 O ALA A 64 -1.751 9.819 -0.632 1.00 0.00 O ATOM 925 CB ALA A 64 0.274 10.476 1.601 1.00 0.00 C ATOM 0 H ALA A 64 -1.175 8.150 1.325 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.682 10.858 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.456 11.516 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.727 10.267 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.715 9.824 0.847 1.00 0.00 H new ATOM 931 N GLY A 65 -2.529 11.723 0.285 1.00 0.00 N ATOM 932 CA GLY A 65 -3.165 12.192 -0.936 1.00 0.00 C ATOM 933 C GLY A 65 -4.423 11.423 -1.312 1.00 0.00 C ATOM 934 O GLY A 65 -5.504 12.000 -1.392 1.00 0.00 O ATOM 0 H GLY A 65 -2.636 12.350 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.417 13.246 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.450 12.123 -1.756 1.00 0.00 H new ATOM 938 N SER A 66 -4.272 10.120 -1.519 1.00 0.00 N ATOM 939 CA SER A 66 -5.412 9.270 -1.881 1.00 0.00 C ATOM 940 C SER A 66 -4.979 7.834 -2.146 1.00 0.00 C ATOM 941 O SER A 66 -5.611 6.893 -1.668 1.00 0.00 O ATOM 942 CB SER A 66 -6.111 9.823 -3.138 1.00 0.00 C ATOM 943 OG SER A 66 -5.129 10.201 -4.093 1.00 0.00 O ATOM 0 H SER A 66 -3.382 9.628 -1.445 1.00 0.00 H new ATOM 0 HA SER A 66 -6.102 9.275 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.775 9.069 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.730 10.681 -2.876 1.00 0.00 H new ATOM 0 HG SER A 66 -5.570 10.552 -4.895 1.00 0.00 H new ATOM 949 N SER A 67 -3.909 7.667 -2.923 1.00 0.00 N ATOM 950 CA SER A 67 -3.410 6.332 -3.260 1.00 0.00 C ATOM 951 C SER A 67 -1.899 6.275 -3.115 1.00 0.00 C ATOM 952 O SER A 67 -1.239 5.519 -3.817 1.00 0.00 O ATOM 953 CB SER A 67 -3.806 5.970 -4.703 1.00 0.00 C ATOM 954 OG SER A 67 -2.721 6.239 -5.583 1.00 0.00 O ATOM 0 H SER A 67 -3.373 8.434 -3.329 1.00 0.00 H new ATOM 0 HA SER A 67 -3.856 5.614 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.081 4.917 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.682 6.545 -5.004 1.00 0.00 H new ATOM 0 HG SER A 67 -1.954 5.680 -5.338 1.00 0.00 H new ATOM 960 N GLU A 68 -1.355 7.066 -2.188 1.00 0.00 N ATOM 961 CA GLU A 68 0.091 7.078 -1.940 1.00 0.00 C ATOM 962 C GLU A 68 0.361 6.578 -0.534 1.00 0.00 C ATOM 963 O GLU A 68 -0.474 6.728 0.359 1.00 0.00 O ATOM 964 CB GLU A 68 0.672 8.485 -2.127 1.00 0.00 C ATOM 965 CG GLU A 68 0.163 9.087 -3.451 1.00 0.00 C ATOM 966 CD GLU A 68 1.080 10.233 -3.892 1.00 0.00 C ATOM 967 OE1 GLU A 68 0.986 11.301 -3.310 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.861 10.020 -4.805 1.00 0.00 O ATOM 0 H GLU A 68 -1.889 7.704 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 68 0.577 6.421 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.382 9.122 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.761 8.441 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.133 8.317 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.856 9.453 -3.326 1.00 0.00 H new ATOM 975 N LEU A 69 1.529 5.963 -0.349 1.00 0.00 N ATOM 976 CA LEU A 69 1.916 5.408 0.951 1.00 0.00 C ATOM 977 C LEU A 69 3.166 6.094 1.467 1.00 0.00 C ATOM 978 O LEU A 69 4.254 5.889 0.946 1.00 0.00 O ATOM 979 CB LEU A 69 2.158 3.891 0.791 1.00 0.00 C ATOM 980 CG LEU A 69 2.647 3.199 2.100 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.181 3.322 2.283 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.930 3.779 3.328 1.00 0.00 C ATOM 0 H LEU A 69 2.226 5.836 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 69 1.118 5.576 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.234 3.416 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.897 3.730 0.006 1.00 0.00 H new ATOM 0 HG LEU A 69 2.401 2.141 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.478 2.826 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.687 2.851 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.458 4.375 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.289 3.280 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.136 4.847 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.856 3.622 3.230 1.00 0.00 H new ATOM 994 N ALA A 70 2.992 6.890 2.520 1.00 0.00 N ATOM 995 CA ALA A 70 4.108 7.605 3.146 1.00 0.00 C ATOM 996 C ALA A 70 4.567 6.855 4.391 1.00 0.00 C ATOM 997 O ALA A 70 3.746 6.397 5.186 1.00 0.00 O ATOM 998 CB ALA A 70 3.671 9.012 3.521 1.00 0.00 C ATOM 0 H ALA A 70 2.087 7.058 2.960 1.00 0.00 H new ATOM 0 HA ALA A 70 4.937 7.665 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.504 9.540 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.358 9.547 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.838 8.960 4.222 1.00 0.00 H new ATOM 1004 N ALA A 71 5.879 6.723 4.554 1.00 0.00 N ATOM 1005 CA ALA A 71 6.424 6.014 5.707 1.00 0.00 C ATOM 1006 C ALA A 71 7.898 6.335 5.896 1.00 0.00 C ATOM 1007 O ALA A 71 8.524 6.964 5.042 1.00 0.00 O ATOM 1008 CB ALA A 71 6.257 4.518 5.509 1.00 0.00 C ATOM 0 H ALA A 71 6.579 7.093 3.910 1.00 0.00 H new ATOM 0 HA ALA A 71 5.881 6.336 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.664 3.989 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.198 4.281 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.788 4.209 4.609 1.00 0.00 H new ATOM 1014 N GLU A 72 8.450 5.881 7.023 1.00 0.00 N ATOM 1015 CA GLU A 72 9.864 6.100 7.341 1.00 0.00 C ATOM 1016 C GLU A 72 10.602 4.760 7.344 1.00 0.00 C ATOM 1017 O GLU A 72 10.199 3.826 8.032 1.00 0.00 O ATOM 1018 CB GLU A 72 9.988 6.788 8.725 1.00 0.00 C ATOM 1019 CG GLU A 72 9.998 8.326 8.585 1.00 0.00 C ATOM 1020 CD GLU A 72 10.470 8.965 9.895 1.00 0.00 C ATOM 1021 OE1 GLU A 72 9.708 8.953 10.848 1.00 0.00 O ATOM 1022 OE2 GLU A 72 11.587 9.456 9.922 1.00 0.00 O ATOM 0 H GLU A 72 7.938 5.358 7.733 1.00 0.00 H new ATOM 0 HA GLU A 72 10.312 6.747 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.157 6.483 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.903 6.459 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.656 8.621 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.999 8.684 8.335 1.00 0.00 H new ATOM 1029 N CYS A 73 11.687 4.677 6.562 1.00 0.00 N ATOM 1030 CA CYS A 73 12.487 3.446 6.466 1.00 0.00 C ATOM 1031 C CYS A 73 13.957 3.720 6.768 1.00 0.00 C ATOM 1032 O CYS A 73 14.515 4.733 6.349 1.00 0.00 O ATOM 1033 CB CYS A 73 12.351 2.854 5.069 1.00 0.00 C ATOM 1034 SG CYS A 73 10.670 2.245 4.846 1.00 0.00 S ATOM 0 H CYS A 73 12.031 5.446 5.987 1.00 0.00 H new ATOM 0 HA CYS A 73 12.114 2.737 7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.580 3.609 4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.066 2.042 4.934 1.00 0.00 H new ATOM 1039 N LYS A 74 14.561 2.808 7.523 1.00 0.00 N ATOM 1040 CA LYS A 74 15.959 2.936 7.928 1.00 0.00 C ATOM 1041 C LYS A 74 16.920 2.681 6.761 1.00 0.00 C ATOM 1042 O LYS A 74 16.815 1.676 6.059 1.00 0.00 O ATOM 1043 CB LYS A 74 16.240 1.940 9.090 1.00 0.00 C ATOM 1044 CG LYS A 74 16.825 2.666 10.309 1.00 0.00 C ATOM 1045 CD LYS A 74 16.994 1.665 11.456 1.00 0.00 C ATOM 1046 CE LYS A 74 17.462 2.389 12.722 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.240 1.507 13.902 1.00 0.00 N ATOM 0 H LYS A 74 14.101 1.966 7.869 1.00 0.00 H new ATOM 0 HA LYS A 74 16.130 3.959 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.316 1.435 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.934 1.170 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.786 3.112 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.166 3.479 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.049 1.156 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.718 0.899 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.518 2.646 12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.915 3.324 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.556 1.995 14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.228 1.283 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.781 0.627 13.784 1.00 0.00 H new ATOM 1061 N THR A 75 17.860 3.608 6.578 1.00 0.00 N ATOM 1062 CA THR A 75 18.856 3.497 5.514 1.00 0.00 C ATOM 1063 C THR A 75 20.001 2.582 5.949 1.00 0.00 C ATOM 1064 O THR A 75 20.063 2.158 7.102 1.00 0.00 O ATOM 1065 CB THR A 75 19.438 4.881 5.163 1.00 0.00 C ATOM 1066 OG1 THR A 75 20.057 5.436 6.315 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.319 5.816 4.686 1.00 0.00 C ATOM 0 H THR A 75 17.952 4.445 7.154 1.00 0.00 H new ATOM 0 HA THR A 75 18.360 3.079 4.638 1.00 0.00 H new ATOM 0 HB THR A 75 20.173 4.769 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.429 6.315 6.095 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.740 6.791 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.844 5.393 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.578 5.929 5.477 1.00 0.00 H new ATOM 1075 N ALA A 76 20.907 2.282 5.020 1.00 0.00 N ATOM 1076 CA ALA A 76 22.043 1.415 5.328 1.00 0.00 C ATOM 1077 C ALA A 76 22.854 1.992 6.486 1.00 0.00 C ATOM 1078 O ALA A 76 23.449 1.252 7.267 1.00 0.00 O ATOM 1079 CB ALA A 76 22.927 1.257 4.091 1.00 0.00 C ATOM 0 H ALA A 76 20.878 2.622 4.059 1.00 0.00 H new ATOM 0 HA ALA A 76 21.668 0.435 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.772 0.610 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.346 0.814 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.295 2.235 3.780 1.00 0.00 H new ATOM 1085 N ALA A 77 22.873 3.317 6.585 1.00 0.00 N ATOM 1086 CA ALA A 77 23.615 3.985 7.647 1.00 0.00 C ATOM 1087 C ALA A 77 22.883 3.849 8.976 1.00 0.00 C ATOM 1088 O ALA A 77 23.484 3.977 10.043 1.00 0.00 O ATOM 1089 CB ALA A 77 23.790 5.455 7.305 1.00 0.00 C ATOM 0 H ALA A 77 22.386 3.946 5.947 1.00 0.00 H new ATOM 0 HA ALA A 77 24.594 3.515 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.345 5.950 8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.339 5.548 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.811 5.923 7.200 1.00 0.00 H new ATOM 1095 N GLY A 78 21.578 3.587 8.907 1.00 0.00 N ATOM 1096 CA GLY A 78 20.762 3.432 10.104 1.00 0.00 C ATOM 1097 C GLY A 78 19.972 4.689 10.421 1.00 0.00 C ATOM 1098 O GLY A 78 19.737 5.003 11.588 1.00 0.00 O ATOM 0 H GLY A 78 21.066 3.478 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.075 2.597 9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.403 3.184 10.950 1.00 0.00 H new ATOM 1102 N GLN A 79 19.544 5.408 9.375 1.00 0.00 N ATOM 1103 CA GLN A 79 18.757 6.640 9.547 1.00 0.00 C ATOM 1104 C GLN A 79 17.429 6.520 8.807 1.00 0.00 C ATOM 1105 O GLN A 79 17.377 6.085 7.658 1.00 0.00 O ATOM 1106 CB GLN A 79 19.530 7.861 9.007 1.00 0.00 C ATOM 1107 CG GLN A 79 20.634 8.294 9.995 1.00 0.00 C ATOM 1108 CD GLN A 79 21.041 9.745 9.711 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.969 10.201 8.586 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.458 10.496 10.694 1.00 0.00 N ATOM 0 H GLN A 79 19.728 5.160 8.403 1.00 0.00 H new ATOM 0 HA GLN A 79 18.573 6.779 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 79 19.975 7.617 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.840 8.689 8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.275 8.201 11.020 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.499 7.638 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 79 21.518 10.114 11.638 1.00 0.00 H new ATOM 0 HE22 GLN A 79 21.723 11.465 10.518 1.00 0.00 H new ATOM 1119 N PHE A 80 16.361 6.921 9.484 1.00 0.00 N ATOM 1120 CA PHE A 80 15.023 6.874 8.909 1.00 0.00 C ATOM 1121 C PHE A 80 14.786 8.087 8.004 1.00 0.00 C ATOM 1122 O PHE A 80 14.850 9.230 8.456 1.00 0.00 O ATOM 1123 CB PHE A 80 13.987 6.851 10.051 1.00 0.00 C ATOM 1124 CG PHE A 80 13.827 5.438 10.589 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.154 4.468 9.818 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.346 5.090 11.857 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.003 3.153 10.307 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.190 3.775 12.349 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.522 2.805 11.572 1.00 0.00 C ATOM 0 H PHE A 80 16.396 7.284 10.437 1.00 0.00 H new ATOM 0 HA PHE A 80 14.921 5.974 8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.304 7.519 10.852 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.028 7.220 9.689 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.753 4.732 8.851 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.862 5.830 12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.490 2.412 9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.582 3.512 13.320 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.408 1.798 11.945 1.00 0.00 H new ATOM 1139 N VAL A 81 14.498 7.825 6.724 1.00 0.00 N ATOM 1140 CA VAL A 81 14.233 8.893 5.747 1.00 0.00 C ATOM 1141 C VAL A 81 12.756 8.875 5.366 1.00 0.00 C ATOM 1142 O VAL A 81 12.033 7.970 5.759 1.00 0.00 O ATOM 1143 CB VAL A 81 15.079 8.696 4.473 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.545 8.997 4.785 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.949 7.248 3.992 1.00 0.00 C ATOM 0 H VAL A 81 14.442 6.882 6.338 1.00 0.00 H new ATOM 0 HA VAL A 81 14.497 9.848 6.202 1.00 0.00 H new ATOM 0 HB VAL A 81 14.725 9.371 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.144 8.858 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.640 10.027 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.898 8.321 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.547 7.109 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.303 6.573 4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.904 7.030 3.771 1.00 0.00 H new ATOM 1155 N SER A 82 12.308 9.862 4.588 1.00 0.00 N ATOM 1156 CA SER A 82 10.903 9.919 4.164 1.00 0.00 C ATOM 1157 C SER A 82 10.711 9.134 2.868 1.00 0.00 C ATOM 1158 O SER A 82 11.144 9.570 1.801 1.00 0.00 O ATOM 1159 CB SER A 82 10.480 11.385 3.963 1.00 0.00 C ATOM 1160 OG SER A 82 9.964 11.892 5.186 1.00 0.00 O ATOM 0 H SER A 82 12.888 10.626 4.241 1.00 0.00 H new ATOM 0 HA SER A 82 10.280 9.471 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.333 11.981 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.726 11.455 3.179 1.00 0.00 H new ATOM 0 HG SER A 82 9.694 12.826 5.065 1.00 0.00 H new ATOM 1166 N THR A 83 10.068 7.971 2.966 1.00 0.00 N ATOM 1167 CA THR A 83 9.830 7.126 1.792 1.00 0.00 C ATOM 1168 C THR A 83 8.381 7.199 1.343 1.00 0.00 C ATOM 1169 O THR A 83 7.462 7.225 2.162 1.00 0.00 O ATOM 1170 CB THR A 83 10.146 5.654 2.099 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.308 5.205 3.157 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.619 5.499 2.506 1.00 0.00 C ATOM 0 H THR A 83 9.704 7.592 3.840 1.00 0.00 H new ATOM 0 HA THR A 83 10.485 7.499 1.004 1.00 0.00 H new ATOM 0 HB THR A 83 9.965 5.056 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.856 5.973 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.829 4.451 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.259 5.838 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.816 6.098 3.395 1.00 0.00 H new ATOM 1180 N LYS A 84 8.187 7.230 0.024 1.00 0.00 N ATOM 1181 CA LYS A 84 6.846 7.293 -0.551 1.00 0.00 C ATOM 1182 C LYS A 84 6.738 6.396 -1.779 1.00 0.00 C ATOM 1183 O LYS A 84 7.734 6.096 -2.437 1.00 0.00 O ATOM 1184 CB LYS A 84 6.487 8.744 -0.911 1.00 0.00 C ATOM 1185 CG LYS A 84 7.557 9.382 -1.842 1.00 0.00 C ATOM 1186 CD LYS A 84 7.237 9.121 -3.332 1.00 0.00 C ATOM 1187 CE LYS A 84 7.972 10.147 -4.210 1.00 0.00 C ATOM 1188 NZ LYS A 84 9.337 10.387 -3.662 1.00 0.00 N ATOM 0 H LYS A 84 8.940 7.213 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 84 6.137 6.933 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.515 8.768 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.398 9.335 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.605 10.456 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.539 8.975 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.540 8.111 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.162 9.189 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.040 9.782 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.412 11.082 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.947 10.778 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.280 11.061 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.738 9.489 -3.323 1.00 0.00 H new ATOM 1202 N ILE A 85 5.515 5.968 -2.076 1.00 0.00 N ATOM 1203 CA ILE A 85 5.265 5.106 -3.225 1.00 0.00 C ATOM 1204 C ILE A 85 3.776 5.101 -3.553 1.00 0.00 C ATOM 1205 O ILE A 85 2.933 5.132 -2.656 1.00 0.00 O ATOM 1206 CB ILE A 85 5.740 3.662 -2.970 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.517 2.831 -4.242 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.960 3.055 -1.803 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.182 1.454 -4.110 1.00 0.00 C ATOM 0 H ILE A 85 4.682 6.204 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 85 5.832 5.504 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 85 6.800 3.663 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.449 2.709 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.927 3.358 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.301 2.035 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.125 3.651 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.896 3.046 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.013 0.880 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.253 1.581 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.752 0.922 -3.261 1.00 0.00 H new ATOM 1221 N ASN A 86 3.461 5.083 -4.846 1.00 0.00 N ATOM 1222 CA ASN A 86 2.068 5.103 -5.294 1.00 0.00 C ATOM 1223 C ASN A 86 1.439 3.709 -5.218 1.00 0.00 C ATOM 1224 O ASN A 86 1.891 2.778 -5.880 1.00 0.00 O ATOM 1225 CB ASN A 86 2.007 5.655 -6.740 1.00 0.00 C ATOM 1226 CG ASN A 86 0.802 6.590 -6.910 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.290 6.356 -6.233 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.859 7.546 -7.657 1.00 0.00 N flip ATOM 0 H ASN A 86 4.147 5.055 -5.600 1.00 0.00 H new ATOM 0 HA ASN A 86 1.494 5.752 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.927 6.193 -6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.936 4.829 -7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.711 7.730 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.054 8.165 -7.755 1.00 0.00 H new ATOM 1235 N LEU A 87 0.381 3.594 -4.419 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.338 2.333 -4.252 1.00 0.00 C ATOM 1237 C LEU A 87 -1.068 1.944 -5.536 1.00 0.00 C ATOM 1238 O LEU A 87 -1.277 0.763 -5.810 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.353 2.484 -3.119 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.625 2.686 -1.772 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.606 3.246 -0.727 1.00 0.00 C ATOM 1242 CD2 LEU A 87 -0.042 1.349 -1.260 1.00 0.00 C ATOM 0 H LEU A 87 -0.000 4.366 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 87 0.382 1.550 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.007 3.333 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.987 1.599 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 87 0.192 3.391 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.087 3.386 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.997 4.203 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.430 2.546 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.467 1.514 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.849 0.630 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.668 0.959 -1.989 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.452 2.947 -6.319 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.162 2.701 -7.572 1.00 0.00 C ATOM 1256 C ASP A 88 -1.245 2.055 -8.602 1.00 0.00 C ATOM 1257 O ASP A 88 -1.703 1.571 -9.636 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.691 4.018 -8.140 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.557 5.035 -8.224 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.412 4.617 -8.186 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.851 6.214 -8.336 1.00 0.00 O ATOM 0 H ASP A 88 -1.286 3.932 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.990 2.025 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.118 3.853 -9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.491 4.403 -7.507 1.00 0.00 H new ATOM 1266 N ASP A 89 0.049 2.073 -8.328 1.00 0.00 N ATOM 1267 CA ASP A 89 1.020 1.507 -9.252 1.00 0.00 C ATOM 1268 C ASP A 89 0.724 0.031 -9.532 1.00 0.00 C ATOM 1269 O ASP A 89 1.201 -0.524 -10.521 1.00 0.00 O ATOM 1270 CB ASP A 89 2.435 1.667 -8.671 1.00 0.00 C ATOM 1271 CG ASP A 89 3.479 1.605 -9.791 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.394 0.701 -10.606 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.342 2.467 -9.814 1.00 0.00 O ATOM 0 H ASP A 89 0.450 2.471 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 89 0.952 2.044 -10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.514 2.617 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.627 0.880 -7.941 1.00 0.00 H new ATOM 1278 N HIS A 90 -0.060 -0.604 -8.658 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.396 -2.021 -8.836 1.00 0.00 C ATOM 1280 C HIS A 90 -1.665 -2.392 -8.074 1.00 0.00 C ATOM 1281 O HIS A 90 -2.508 -3.128 -8.585 1.00 0.00 O ATOM 1282 CB HIS A 90 0.753 -2.888 -8.327 1.00 0.00 C ATOM 1283 CG HIS A 90 1.957 -2.714 -9.210 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.021 -3.243 -10.489 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.155 -2.079 -9.003 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.223 -2.924 -10.999 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.954 -2.217 -10.135 1.00 0.00 N ATOM 0 H HIS A 90 -0.470 -0.169 -7.831 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.563 -2.194 -9.899 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.001 -2.613 -7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.451 -3.935 -8.312 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.435 -1.554 -8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.556 -3.205 -11.987 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.897 -1.855 -10.274 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.790 -1.896 -6.845 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.964 -2.205 -6.030 1.00 0.00 C ATOM 1297 C ILE A 91 -4.227 -1.890 -6.817 1.00 0.00 C ATOM 1298 O ILE A 91 -4.495 -0.733 -7.144 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.977 -1.397 -4.712 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.604 -1.489 -4.000 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.089 -1.917 -3.794 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.394 -2.859 -3.332 1.00 0.00 C ATOM 0 H ILE A 91 -1.105 -1.288 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.924 -3.265 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.169 -0.350 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.808 -1.312 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.532 -0.704 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.093 -1.344 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.052 -1.809 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.913 -2.969 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.419 -2.881 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.175 -3.025 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.439 -3.643 -4.088 1.00 0.00 H new ATOM 1314 N ALA A 92 -5.000 -2.933 -7.125 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.242 -2.789 -7.892 1.00 0.00 C ATOM 1316 C ALA A 92 -7.434 -3.202 -7.042 1.00 0.00 C ATOM 1317 O ALA A 92 -7.277 -3.672 -5.915 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.181 -3.673 -9.132 1.00 0.00 C ATOM 0 H ALA A 92 -4.787 -3.893 -6.854 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.355 -1.746 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.104 -3.565 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.336 -3.373 -9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.059 -4.714 -8.831 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.627 -3.045 -7.608 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.868 -3.418 -6.929 1.00 0.00 C ATOM 1326 C ASN A 93 -10.562 -4.515 -7.726 1.00 0.00 C ATOM 1327 O ASN A 93 -10.905 -4.320 -8.892 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.786 -2.205 -6.832 1.00 0.00 C ATOM 1329 CG ASN A 93 -12.016 -2.551 -5.992 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.902 -3.160 -4.946 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.196 -2.183 -6.410 1.00 0.00 N ATOM 0 H ASN A 93 -8.763 -2.659 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.640 -3.777 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.251 -1.368 -6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.093 -1.889 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.025 -2.406 -5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.290 -1.672 -7.288 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.765 -5.670 -7.093 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.418 -6.811 -7.742 1.00 0.00 C ATOM 1340 C ILE A 94 -12.718 -7.135 -7.014 1.00 0.00 C ATOM 1341 O ILE A 94 -12.710 -7.455 -5.827 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.504 -8.066 -7.708 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -9.057 -7.707 -8.131 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -11.070 -9.153 -8.630 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.952 -7.472 -9.647 1.00 0.00 C ATOM 0 H ILE A 94 -10.486 -5.842 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.618 -6.544 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.477 -8.444 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.734 -6.812 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.382 -8.512 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.422 -10.029 -8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.070 -9.429 -8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.120 -8.774 -9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.923 -7.223 -9.906 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.251 -8.376 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.608 -6.650 -9.934 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.830 -7.034 -7.735 1.00 0.00 N ATOM 1358 CA ASP A 95 -15.144 -7.302 -7.158 1.00 0.00 C ATOM 1359 C ASP A 95 -15.305 -6.594 -5.811 1.00 0.00 C ATOM 1360 O ASP A 95 -16.093 -7.016 -4.966 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.370 -8.814 -7.006 1.00 0.00 C ATOM 1362 CG ASP A 95 -14.500 -9.375 -5.880 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.877 -9.213 -4.731 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -13.474 -9.960 -6.186 1.00 0.00 O ATOM 0 H ASP A 95 -13.848 -6.769 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.899 -6.908 -7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.421 -9.011 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.133 -9.319 -7.942 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.563 -5.497 -5.636 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.628 -4.703 -4.412 1.00 0.00 C ATOM 1371 C GLY A 96 -13.628 -5.135 -3.358 1.00 0.00 C ATOM 1372 O GLY A 96 -13.800 -4.836 -2.176 1.00 0.00 O ATOM 0 H GLY A 96 -13.908 -5.140 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.455 -3.655 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.634 -4.771 -3.997 1.00 0.00 H new ATOM 1376 N THR A 97 -12.576 -5.832 -3.781 1.00 0.00 N ATOM 1377 CA THR A 97 -11.533 -6.301 -2.860 1.00 0.00 C ATOM 1378 C THR A 97 -10.173 -5.801 -3.321 1.00 0.00 C ATOM 1379 O THR A 97 -9.923 -5.678 -4.515 1.00 0.00 O ATOM 1380 CB THR A 97 -11.494 -7.841 -2.809 1.00 0.00 C ATOM 1381 OG1 THR A 97 -11.201 -8.349 -4.102 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.848 -8.376 -2.343 1.00 0.00 C ATOM 0 H THR A 97 -12.419 -6.087 -4.756 1.00 0.00 H new ATOM 0 HA THR A 97 -11.764 -5.913 -1.868 1.00 0.00 H new ATOM 0 HB THR A 97 -10.722 -8.160 -2.109 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.998 -8.282 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.817 -9.465 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.070 -7.987 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.624 -8.058 -3.039 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.289 -5.512 -2.371 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.952 -5.027 -2.708 1.00 0.00 C ATOM 1392 C LEU A 98 -7.029 -6.191 -3.030 1.00 0.00 C ATOM 1393 O LEU A 98 -6.977 -7.180 -2.300 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.380 -4.222 -1.540 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.399 -3.172 -1.084 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.808 -2.370 0.080 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.737 -2.224 -2.251 1.00 0.00 C ATOM 0 H LEU A 98 -9.470 -5.603 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.027 -4.386 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.136 -4.888 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.453 -3.735 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.313 -3.670 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.529 -1.621 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.581 -3.043 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.894 -1.875 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.462 -1.481 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.830 -1.721 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.159 -2.798 -3.076 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.301 -6.062 -4.136 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.373 -7.103 -4.571 1.00 0.00 C ATOM 1411 C LYS A 99 -4.235 -6.473 -5.375 1.00 0.00 C ATOM 1412 O LYS A 99 -4.376 -5.383 -5.928 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.132 -8.154 -5.426 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.401 -9.433 -4.606 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.483 -10.302 -5.294 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.884 -9.885 -4.823 1.00 0.00 C ATOM 1417 NZ LYS A 99 -9.111 -10.397 -3.442 1.00 0.00 N ATOM 0 H LYS A 99 -6.336 -5.247 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.948 -7.604 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.076 -7.734 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.547 -8.400 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.479 -10.005 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.726 -9.166 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.410 -10.196 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.313 -11.354 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.978 -8.799 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.641 -10.282 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.130 -10.393 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.747 -11.368 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.615 -9.788 -2.760 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.109 -7.177 -5.426 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.932 -6.708 -6.156 1.00 0.00 C ATOM 1433 C TYR A 100 -1.920 -7.296 -7.567 1.00 0.00 C ATOM 1434 O TYR A 100 -2.159 -8.489 -7.752 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.673 -7.134 -5.395 1.00 0.00 C ATOM 1436 CG TYR A 100 0.565 -6.743 -6.167 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.089 -5.437 -6.050 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.208 -7.687 -6.998 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.253 -5.078 -6.766 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.372 -7.326 -7.709 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.893 -6.021 -7.594 1.00 0.00 C ATOM 1442 OH TYR A 100 4.099 -5.706 -8.184 1.00 0.00 O ATOM 0 H TYR A 100 -2.985 -8.080 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.960 -5.621 -6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.659 -6.666 -4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.684 -8.212 -5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.601 -4.713 -5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.808 -8.686 -7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.653 -4.079 -6.678 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.864 -8.050 -8.342 1.00 0.00 H new ATOM 0 HH TYR A 100 4.408 -6.464 -8.723 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.638 -6.451 -8.558 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.592 -6.893 -9.955 1.00 0.00 C ATOM 1454 C GLU A 101 -0.179 -7.340 -10.319 1.00 0.00 C ATOM 1455 O GLU A 101 0.736 -6.559 -10.115 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.014 -5.742 -10.879 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.520 -5.424 -10.698 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.371 -6.283 -11.645 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.271 -7.497 -11.570 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.109 -5.707 -12.429 1.00 0.00 O ATOM 1461 OXT GLU A 101 -0.042 -8.427 -10.855 1.00 0.00 O ATOM 0 H GLU A 101 -1.438 -5.460 -8.422 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.277 -7.732 -10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.420 -4.855 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.815 -6.009 -11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.815 -5.610 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.701 -4.367 -10.896 1.00 0.00 H new TER 1468 GLU A 101