USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 888 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 49 LYS NZ :NH3+ 164:sc= 1.57 (180deg=1.16) USER MOD Set 1.2: B 57 GLN : amide:sc= 0.345 K(o=1.9,f=-3.2) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 157:sc= 1.66 (180deg=1.27) USER MOD Set 2.2: A 57 GLN : amide:sc= 0.349 K(o=2,f=-3.5) USER MOD Single : A 3 TYR OH : rot 15:sc= 0.552 USER MOD Single : A 6 SER OG : rot 42:sc= -0.485 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.2! C(o=-3.2!,f=-2.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 130:sc= 1.15 (180deg=0.979) USER MOD Single : A 24 LYS NZ :NH3+ -135:sc= 1.27 (180deg=0.868) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 1.28 (180deg=0.971) USER MOD Single : A 29 SER OG : rot -170:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.07) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.749 K(o=-0.75,f=0) USER MOD Single : A 50 ASN : amide:sc=-0.00356 K(o=-0.0036,f=-0.96) USER MOD Single : B 3 TYR OH : rot 15:sc= 0.548 USER MOD Single : B 6 SER OG : rot 41:sc= -0.537 USER MOD Single : B 7 TYR OH : rot 30:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.8!) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ -109:sc= 1.22 (180deg=0.853) USER MOD Single : B 24 LYS NZ :NH3+ -164:sc= 1.35 (180deg=1) USER MOD Single : B 25 LYS NZ :NH3+ -137:sc= 1.26 (180deg=0.919) USER MOD Single : B 29 SER OG : rot -170:sc= 0 USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : B 41 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.08) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= -0.715 K(o=-0.72,f=0) USER MOD Single : B 50 ASN : amide:sc= -0.0128 K(o=-0.013,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 2 3.694 -0.484 7.397 1.00 0.00 N ATOM 31 CA ARG A 2 3.679 0.973 7.502 1.00 0.00 C ATOM 32 C ARG A 2 4.192 1.633 6.222 1.00 0.00 C ATOM 33 O ARG A 2 3.570 2.553 5.699 1.00 0.00 O ATOM 34 CB ARG A 2 4.526 1.423 8.698 1.00 0.00 C ATOM 35 CG ARG A 2 4.075 0.826 10.025 1.00 0.00 C ATOM 36 CD ARG A 2 2.793 1.466 10.537 1.00 0.00 C ATOM 37 NE ARG A 2 3.051 2.704 11.274 1.00 0.00 N ATOM 38 CZ ARG A 2 2.099 3.551 11.666 1.00 0.00 C ATOM 39 NH1 ARG A 2 0.825 3.296 11.400 1.00 0.00 N ATOM 40 NH2 ARG A 2 2.421 4.641 12.355 1.00 0.00 N ATOM 0 HA ARG A 2 2.646 1.286 7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.566 1.148 8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.492 2.510 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.921 -0.246 9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.864 0.954 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.133 1.677 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.270 0.762 11.184 1.00 0.00 H new ATOM 0 HE ARG A 2 4.019 2.933 11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.570 2.448 10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.101 3.947 11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.397 4.830 12.584 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.692 5.289 12.655 1.00 0.00 H new ATOM 54 N TYR A 3 5.316 1.147 5.711 1.00 0.00 N ATOM 55 CA TYR A 3 5.960 1.774 4.561 1.00 0.00 C ATOM 56 C TYR A 3 5.489 1.189 3.246 1.00 0.00 C ATOM 57 O TYR A 3 5.632 1.818 2.205 1.00 0.00 O ATOM 58 CB TYR A 3 7.468 1.628 4.672 1.00 0.00 C ATOM 59 CG TYR A 3 7.977 2.056 6.014 1.00 0.00 C ATOM 60 CD1 TYR A 3 8.817 1.243 6.755 1.00 0.00 C ATOM 61 CD2 TYR A 3 7.586 3.267 6.554 1.00 0.00 C ATOM 62 CE1 TYR A 3 9.254 1.632 7.999 1.00 0.00 C ATOM 63 CE2 TYR A 3 8.014 3.664 7.787 1.00 0.00 C ATOM 64 CZ TYR A 3 8.850 2.847 8.517 1.00 0.00 C ATOM 65 OH TYR A 3 9.285 3.243 9.761 1.00 0.00 O ATOM 0 H TYR A 3 5.800 0.325 6.072 1.00 0.00 H new ATOM 0 HA TYR A 3 5.682 2.828 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.746 0.589 4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.948 2.224 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.133 0.292 6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.929 3.911 5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.910 0.991 8.569 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.699 4.615 8.190 1.00 0.00 H new ATOM 0 HH TYR A 3 10.041 2.684 10.036 1.00 0.00 H new ATOM 75 N VAL A 4 4.933 -0.012 3.287 1.00 0.00 N ATOM 76 CA VAL A 4 4.478 -0.674 2.072 1.00 0.00 C ATOM 77 C VAL A 4 3.408 0.152 1.376 1.00 0.00 C ATOM 78 O VAL A 4 3.373 0.242 0.154 1.00 0.00 O ATOM 79 CB VAL A 4 3.937 -2.085 2.363 1.00 0.00 C ATOM 80 CG1 VAL A 4 3.332 -2.701 1.119 1.00 0.00 C ATOM 81 CG2 VAL A 4 5.046 -2.969 2.885 1.00 0.00 C ATOM 0 H VAL A 4 4.786 -0.547 4.143 1.00 0.00 H new ATOM 0 HA VAL A 4 5.342 -0.768 1.414 1.00 0.00 H new ATOM 0 HB VAL A 4 3.157 -2.000 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.957 -3.698 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.510 -2.077 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.092 -2.772 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.652 -3.965 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.839 -3.037 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.448 -2.544 3.805 1.00 0.00 H new ATOM 91 N ALA A 5 2.563 0.774 2.172 1.00 0.00 N ATOM 92 CA ALA A 5 1.496 1.611 1.658 1.00 0.00 C ATOM 93 C ALA A 5 2.043 2.730 0.771 1.00 0.00 C ATOM 94 O ALA A 5 1.653 2.879 -0.393 1.00 0.00 O ATOM 95 CB ALA A 5 0.735 2.190 2.826 1.00 0.00 C ATOM 0 H ALA A 5 2.595 0.715 3.190 1.00 0.00 H new ATOM 0 HA ALA A 5 0.833 1.005 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.072 2.823 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.317 1.381 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.410 2.785 3.441 1.00 0.00 H new ATOM 101 N SER A 6 2.970 3.497 1.324 1.00 0.00 N ATOM 102 CA SER A 6 3.573 4.607 0.614 1.00 0.00 C ATOM 103 C SER A 6 4.528 4.110 -0.466 1.00 0.00 C ATOM 104 O SER A 6 4.632 4.709 -1.537 1.00 0.00 O ATOM 105 CB SER A 6 4.292 5.505 1.612 1.00 0.00 C ATOM 106 OG SER A 6 4.766 4.743 2.706 1.00 0.00 O ATOM 0 H SER A 6 3.322 3.366 2.272 1.00 0.00 H new ATOM 0 HA SER A 6 2.793 5.181 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.126 6.009 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.614 6.281 1.967 1.00 0.00 H new ATOM 0 HG SER A 6 5.148 3.902 2.378 1.00 0.00 H new ATOM 112 N TYR A 7 5.221 3.013 -0.174 1.00 0.00 N ATOM 113 CA TYR A 7 6.079 2.360 -1.154 1.00 0.00 C ATOM 114 C TYR A 7 5.277 2.038 -2.412 1.00 0.00 C ATOM 115 O TYR A 7 5.681 2.383 -3.530 1.00 0.00 O ATOM 116 CB TYR A 7 6.689 1.081 -0.559 1.00 0.00 C ATOM 117 CG TYR A 7 7.350 0.190 -1.581 1.00 0.00 C ATOM 118 CD1 TYR A 7 8.665 0.405 -1.960 1.00 0.00 C ATOM 119 CD2 TYR A 7 6.657 -0.864 -2.163 1.00 0.00 C ATOM 120 CE1 TYR A 7 9.279 -0.404 -2.896 1.00 0.00 C ATOM 121 CE2 TYR A 7 7.262 -1.679 -3.101 1.00 0.00 C ATOM 122 CZ TYR A 7 8.573 -1.443 -3.467 1.00 0.00 C ATOM 123 OH TYR A 7 9.180 -2.254 -4.400 1.00 0.00 O ATOM 0 H TYR A 7 5.204 2.557 0.738 1.00 0.00 H new ATOM 0 HA TYR A 7 6.892 3.035 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.423 1.358 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.906 0.518 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.219 1.219 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.632 -1.049 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.306 -0.224 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.713 -2.496 -3.545 1.00 0.00 H new ATOM 0 HH TYR A 7 10.141 -2.304 -4.215 1.00 0.00 H new ATOM 133 N LEU A 8 4.132 1.389 -2.216 1.00 0.00 N ATOM 134 CA LEU A 8 3.251 1.056 -3.320 1.00 0.00 C ATOM 135 C LEU A 8 2.842 2.318 -4.065 1.00 0.00 C ATOM 136 O LEU A 8 3.064 2.422 -5.267 1.00 0.00 O ATOM 137 CB LEU A 8 2.000 0.308 -2.837 1.00 0.00 C ATOM 138 CG LEU A 8 2.033 -1.211 -2.991 1.00 0.00 C ATOM 139 CD1 LEU A 8 3.095 -1.813 -2.097 1.00 0.00 C ATOM 140 CD2 LEU A 8 0.666 -1.801 -2.676 1.00 0.00 C ATOM 0 H LEU A 8 3.797 1.086 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 8 3.799 0.398 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.842 0.544 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.138 0.691 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 8 2.284 -1.451 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.103 -2.896 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.070 -1.409 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.877 -1.568 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.702 -2.884 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.390 -1.552 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.075 -1.389 -3.361 1.00 0.00 H new ATOM 152 N LEU A 9 2.264 3.283 -3.341 1.00 0.00 N ATOM 153 CA LEU A 9 1.832 4.551 -3.944 1.00 0.00 C ATOM 154 C LEU A 9 2.912 5.157 -4.831 1.00 0.00 C ATOM 155 O LEU A 9 2.652 5.523 -5.977 1.00 0.00 O ATOM 156 CB LEU A 9 1.466 5.578 -2.871 1.00 0.00 C ATOM 157 CG LEU A 9 0.035 5.528 -2.345 1.00 0.00 C ATOM 158 CD1 LEU A 9 -0.199 6.674 -1.399 1.00 0.00 C ATOM 159 CD2 LEU A 9 -0.968 5.609 -3.472 1.00 0.00 C ATOM 0 H LEU A 9 2.084 3.212 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 9 0.957 4.315 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.145 5.448 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.647 6.574 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.098 4.578 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.222 6.634 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.496 6.603 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.040 7.617 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.978 5.571 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.831 6.544 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.820 4.770 -4.152 1.00 0.00 H new ATOM 171 N ALA A 10 4.122 5.262 -4.295 1.00 0.00 N ATOM 172 CA ALA A 10 5.231 5.860 -5.024 1.00 0.00 C ATOM 173 C ALA A 10 5.522 5.075 -6.301 1.00 0.00 C ATOM 174 O ALA A 10 5.802 5.662 -7.347 1.00 0.00 O ATOM 175 CB ALA A 10 6.472 5.923 -4.143 1.00 0.00 C ATOM 0 H ALA A 10 4.359 4.940 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 10 4.951 6.876 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.293 6.372 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.261 6.526 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.752 4.915 -3.836 1.00 0.00 H new ATOM 181 N ALA A 11 5.434 3.748 -6.211 1.00 0.00 N ATOM 182 CA ALA A 11 5.667 2.879 -7.359 1.00 0.00 C ATOM 183 C ALA A 11 4.631 3.134 -8.450 1.00 0.00 C ATOM 184 O ALA A 11 4.954 3.187 -9.642 1.00 0.00 O ATOM 185 CB ALA A 11 5.629 1.418 -6.929 1.00 0.00 C ATOM 0 H ALA A 11 5.202 3.252 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 11 6.654 3.103 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.804 0.779 -7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.403 1.238 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.653 1.190 -6.501 1.00 0.00 H new ATOM 191 N LEU A 12 3.388 3.316 -8.026 1.00 0.00 N ATOM 192 CA LEU A 12 2.273 3.492 -8.950 1.00 0.00 C ATOM 193 C LEU A 12 2.296 4.895 -9.546 1.00 0.00 C ATOM 194 O LEU A 12 1.751 5.136 -10.624 1.00 0.00 O ATOM 195 CB LEU A 12 0.943 3.263 -8.229 1.00 0.00 C ATOM 196 CG LEU A 12 0.973 2.203 -7.126 1.00 0.00 C ATOM 197 CD1 LEU A 12 -0.381 2.072 -6.463 1.00 0.00 C ATOM 198 CD2 LEU A 12 1.453 0.863 -7.659 1.00 0.00 C ATOM 0 H LEU A 12 3.124 3.346 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 12 2.374 2.761 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.617 4.208 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.193 2.976 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 12 1.687 2.531 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.332 1.312 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.664 3.028 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.124 1.782 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.463 0.132 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.781 0.523 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.460 0.971 -8.062 1.00 0.00 H new ATOM 210 N GLY A 13 2.937 5.812 -8.832 1.00 0.00 N ATOM 211 CA GLY A 13 3.029 7.188 -9.278 1.00 0.00 C ATOM 212 C GLY A 13 4.135 7.399 -10.293 1.00 0.00 C ATOM 213 O GLY A 13 4.474 8.535 -10.623 1.00 0.00 O ATOM 0 H GLY A 13 3.399 5.623 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.077 7.489 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.202 7.834 -8.417 1.00 0.00 H new ATOM 217 N GLY A 14 4.706 6.308 -10.781 1.00 0.00 N ATOM 218 CA GLY A 14 5.708 6.405 -11.821 1.00 0.00 C ATOM 219 C GLY A 14 7.103 6.115 -11.321 1.00 0.00 C ATOM 220 O GLY A 14 8.029 5.940 -12.113 1.00 0.00 O ATOM 0 H GLY A 14 4.494 5.358 -10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.462 5.708 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.682 7.406 -12.251 1.00 0.00 H new ATOM 224 N ASN A 15 7.260 6.052 -10.012 1.00 0.00 N ATOM 225 CA ASN A 15 8.566 5.812 -9.419 1.00 0.00 C ATOM 226 C ASN A 15 8.658 4.371 -8.932 1.00 0.00 C ATOM 227 O ASN A 15 8.475 4.090 -7.752 1.00 0.00 O ATOM 228 CB ASN A 15 8.816 6.798 -8.274 1.00 0.00 C ATOM 229 CG ASN A 15 10.247 6.767 -7.768 1.00 0.00 C ATOM 230 OD1 ASN A 15 11.172 6.411 -8.499 1.00 0.00 O ATOM 231 ND2 ASN A 15 10.442 7.166 -6.522 1.00 0.00 N ATOM 0 H ASN A 15 6.502 6.163 -9.339 1.00 0.00 H new ATOM 0 HA ASN A 15 9.337 5.968 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.577 7.807 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.140 6.569 -7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.385 7.186 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.649 7.453 -5.948 1.00 0.00 H new ATOM 238 N SER A 16 8.941 3.465 -9.863 1.00 0.00 N ATOM 239 CA SER A 16 8.965 2.035 -9.579 1.00 0.00 C ATOM 240 C SER A 16 10.063 1.682 -8.583 1.00 0.00 C ATOM 241 O SER A 16 9.953 0.702 -7.849 1.00 0.00 O ATOM 242 CB SER A 16 9.169 1.261 -10.869 1.00 0.00 C ATOM 243 OG SER A 16 9.069 -0.140 -10.661 1.00 0.00 O ATOM 0 H SER A 16 9.159 3.700 -10.831 1.00 0.00 H new ATOM 0 HA SER A 16 8.009 1.762 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.426 1.574 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.148 1.498 -11.285 1.00 0.00 H new ATOM 0 HG SER A 16 9.204 -0.607 -11.512 1.00 0.00 H new ATOM 249 N SER A 17 11.128 2.469 -8.582 1.00 0.00 N ATOM 250 CA SER A 17 12.200 2.299 -7.617 1.00 0.00 C ATOM 251 C SER A 17 12.200 3.495 -6.662 1.00 0.00 C ATOM 252 O SER A 17 12.971 4.444 -6.824 1.00 0.00 O ATOM 253 CB SER A 17 13.542 2.163 -8.342 1.00 0.00 C ATOM 254 OG SER A 17 14.567 1.718 -7.465 1.00 0.00 O ATOM 0 H SER A 17 11.272 3.234 -9.242 1.00 0.00 H new ATOM 0 HA SER A 17 12.045 1.388 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.440 1.461 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.823 3.124 -8.773 1.00 0.00 H new ATOM 0 HG SER A 17 15.410 1.640 -7.959 1.00 0.00 H new ATOM 260 N PRO A 18 11.311 3.459 -5.657 1.00 0.00 N ATOM 261 CA PRO A 18 11.029 4.596 -4.783 1.00 0.00 C ATOM 262 C PRO A 18 12.068 4.786 -3.685 1.00 0.00 C ATOM 263 O PRO A 18 12.522 3.825 -3.062 1.00 0.00 O ATOM 264 CB PRO A 18 9.659 4.242 -4.173 1.00 0.00 C ATOM 265 CG PRO A 18 9.233 2.971 -4.843 1.00 0.00 C ATOM 266 CD PRO A 18 10.498 2.307 -5.276 1.00 0.00 C ATOM 0 HA PRO A 18 11.044 5.536 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.733 4.110 -3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.935 5.038 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.670 2.336 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.585 3.174 -5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.955 1.729 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.339 1.623 -6.109 1.00 0.00 H new ATOM 274 N SER A 19 12.440 6.037 -3.461 1.00 0.00 N ATOM 275 CA SER A 19 13.351 6.384 -2.388 1.00 0.00 C ATOM 276 C SER A 19 12.595 6.424 -1.067 1.00 0.00 C ATOM 277 O SER A 19 11.414 6.779 -1.020 1.00 0.00 O ATOM 278 CB SER A 19 13.992 7.746 -2.671 1.00 0.00 C ATOM 279 OG SER A 19 14.869 8.134 -1.627 1.00 0.00 O ATOM 0 H SER A 19 12.121 6.832 -4.014 1.00 0.00 H new ATOM 0 HA SER A 19 14.137 5.632 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.541 7.703 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.212 8.498 -2.791 1.00 0.00 H new ATOM 0 HG SER A 19 15.263 9.006 -1.838 1.00 0.00 H new ATOM 285 N ALA A 20 13.288 6.056 0.002 1.00 0.00 N ATOM 286 CA ALA A 20 12.700 6.015 1.333 1.00 0.00 C ATOM 287 C ALA A 20 12.248 7.403 1.782 1.00 0.00 C ATOM 288 O ALA A 20 11.337 7.537 2.600 1.00 0.00 O ATOM 289 CB ALA A 20 13.701 5.441 2.323 1.00 0.00 C ATOM 0 H ALA A 20 14.269 5.779 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 20 11.820 5.373 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.255 5.413 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.974 4.430 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.593 6.067 2.343 1.00 0.00 H new ATOM 295 N LYS A 21 12.889 8.435 1.247 1.00 0.00 N ATOM 296 CA LYS A 21 12.515 9.810 1.558 1.00 0.00 C ATOM 297 C LYS A 21 11.137 10.122 0.995 1.00 0.00 C ATOM 298 O LYS A 21 10.298 10.739 1.663 1.00 0.00 O ATOM 299 CB LYS A 21 13.548 10.781 1.002 1.00 0.00 C ATOM 300 CG LYS A 21 14.960 10.524 1.506 1.00 0.00 C ATOM 301 CD LYS A 21 15.072 10.748 3.005 1.00 0.00 C ATOM 302 CE LYS A 21 16.484 10.517 3.507 1.00 0.00 C ATOM 303 NZ LYS A 21 16.869 9.081 3.478 1.00 0.00 N ATOM 0 H LYS A 21 13.670 8.347 0.596 1.00 0.00 H new ATOM 0 HA LYS A 21 12.482 9.924 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.543 10.720 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.257 11.798 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.250 9.501 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.657 11.182 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.764 11.766 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.388 10.077 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.182 11.090 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.570 10.893 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.789 8.978 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.939 8.721 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.149 8.539 2.959 1.00 0.00 H new ATOM 317 N ASP A 22 10.902 9.664 -0.227 1.00 0.00 N ATOM 318 CA ASP A 22 9.595 9.797 -0.853 1.00 0.00 C ATOM 319 C ASP A 22 8.554 9.115 0.011 1.00 0.00 C ATOM 320 O ASP A 22 7.490 9.670 0.273 1.00 0.00 O ATOM 321 CB ASP A 22 9.580 9.176 -2.252 1.00 0.00 C ATOM 322 CG ASP A 22 10.383 9.969 -3.258 1.00 0.00 C ATOM 323 OD1 ASP A 22 11.500 9.537 -3.609 1.00 0.00 O ATOM 324 OD2 ASP A 22 9.903 11.027 -3.710 1.00 0.00 O ATOM 0 H ASP A 22 11.601 9.197 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 22 9.369 10.859 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.976 8.162 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.549 9.098 -2.598 1.00 0.00 H new ATOM 329 N ILE A 23 8.891 7.912 0.467 1.00 0.00 N ATOM 330 CA ILE A 23 8.036 7.143 1.364 1.00 0.00 C ATOM 331 C ILE A 23 7.625 7.990 2.560 1.00 0.00 C ATOM 332 O ILE A 23 6.440 8.093 2.878 1.00 0.00 O ATOM 333 CB ILE A 23 8.761 5.876 1.864 1.00 0.00 C ATOM 334 CG1 ILE A 23 9.292 5.075 0.677 1.00 0.00 C ATOM 335 CG2 ILE A 23 7.843 5.020 2.727 1.00 0.00 C ATOM 336 CD1 ILE A 23 8.223 4.600 -0.269 1.00 0.00 C ATOM 0 H ILE A 23 9.764 7.444 0.225 1.00 0.00 H new ATOM 0 HA ILE A 23 7.148 6.846 0.805 1.00 0.00 H new ATOM 0 HB ILE A 23 9.602 6.184 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.003 5.690 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.841 4.211 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.382 4.135 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.515 5.596 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.974 4.715 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.681 4.040 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.524 3.957 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.688 5.459 -0.675 1.00 0.00 H new ATOM 348 N LYS A 24 8.616 8.613 3.193 1.00 0.00 N ATOM 349 CA LYS A 24 8.380 9.496 4.329 1.00 0.00 C ATOM 350 C LYS A 24 7.363 10.577 3.982 1.00 0.00 C ATOM 351 O LYS A 24 6.438 10.830 4.747 1.00 0.00 O ATOM 352 CB LYS A 24 9.685 10.163 4.769 1.00 0.00 C ATOM 353 CG LYS A 24 10.735 9.199 5.286 1.00 0.00 C ATOM 354 CD LYS A 24 12.077 9.891 5.421 1.00 0.00 C ATOM 355 CE LYS A 24 13.154 8.951 5.932 1.00 0.00 C ATOM 356 NZ LYS A 24 13.006 8.651 7.382 1.00 0.00 N ATOM 0 H LYS A 24 9.598 8.520 2.934 1.00 0.00 H new ATOM 0 HA LYS A 24 7.987 8.886 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.099 10.715 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.462 10.892 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.426 8.801 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.824 8.351 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.376 10.293 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.982 10.737 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.118 8.020 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.134 9.395 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.934 8.718 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.352 9.335 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.628 7.689 7.501 1.00 0.00 H new ATOM 370 N LYS A 25 7.536 11.204 2.822 1.00 0.00 N ATOM 371 CA LYS A 25 6.654 12.281 2.396 1.00 0.00 C ATOM 372 C LYS A 25 5.215 11.794 2.213 1.00 0.00 C ATOM 373 O LYS A 25 4.252 12.466 2.612 1.00 0.00 O ATOM 374 CB LYS A 25 7.168 12.893 1.103 1.00 0.00 C ATOM 375 CG LYS A 25 8.532 13.548 1.238 1.00 0.00 C ATOM 376 CD LYS A 25 8.566 14.554 2.370 1.00 0.00 C ATOM 377 CE LYS A 25 9.360 14.027 3.556 1.00 0.00 C ATOM 378 NZ LYS A 25 9.244 14.914 4.741 1.00 0.00 N ATOM 0 H LYS A 25 8.281 10.983 2.161 1.00 0.00 H new ATOM 0 HA LYS A 25 6.650 13.039 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.221 12.117 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.451 13.636 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.287 12.781 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.790 14.045 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.009 15.485 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.548 14.785 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.006 13.029 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.409 13.931 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.133 14.891 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.054 15.888 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.464 14.586 5.345 1.00 0.00 H new ATOM 392 N ILE A 26 5.066 10.619 1.622 1.00 0.00 N ATOM 393 CA ILE A 26 3.749 10.051 1.387 1.00 0.00 C ATOM 394 C ILE A 26 3.098 9.666 2.717 1.00 0.00 C ATOM 395 O ILE A 26 1.892 9.818 2.906 1.00 0.00 O ATOM 396 CB ILE A 26 3.825 8.833 0.458 1.00 0.00 C ATOM 397 CG1 ILE A 26 4.768 9.118 -0.706 1.00 0.00 C ATOM 398 CG2 ILE A 26 2.440 8.518 -0.070 1.00 0.00 C ATOM 399 CD1 ILE A 26 5.093 7.896 -1.520 1.00 0.00 C ATOM 0 H ILE A 26 5.841 10.041 1.297 1.00 0.00 H new ATOM 0 HA ILE A 26 3.137 10.807 0.896 1.00 0.00 H new ATOM 0 HB ILE A 26 4.206 7.979 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.317 9.869 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.693 9.545 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.491 7.653 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.774 8.299 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.058 9.376 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.768 8.168 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.572 7.152 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.175 7.481 -1.935 1.00 0.00 H new ATOM 411 N LEU A 27 3.920 9.186 3.639 1.00 0.00 N ATOM 412 CA LEU A 27 3.482 8.927 5.009 1.00 0.00 C ATOM 413 C LEU A 27 3.121 10.233 5.699 1.00 0.00 C ATOM 414 O LEU A 27 2.180 10.278 6.478 1.00 0.00 O ATOM 415 CB LEU A 27 4.575 8.183 5.783 1.00 0.00 C ATOM 416 CG LEU A 27 4.895 6.795 5.236 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.304 6.386 5.603 1.00 0.00 C ATOM 418 CD2 LEU A 27 3.917 5.768 5.758 1.00 0.00 C ATOM 0 H LEU A 27 4.901 8.966 3.465 1.00 0.00 H new ATOM 0 HA LEU A 27 2.593 8.296 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.485 8.784 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.267 8.089 6.824 1.00 0.00 H new ATOM 0 HG LEU A 27 4.809 6.841 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.511 5.393 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.011 7.101 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.407 6.368 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.168 4.788 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.970 5.735 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.907 6.039 5.452 1.00 0.00 H new ATOM 430 N ASP A 28 3.856 11.299 5.396 1.00 0.00 N ATOM 431 CA ASP A 28 3.543 12.628 5.923 1.00 0.00 C ATOM 432 C ASP A 28 2.159 13.079 5.478 1.00 0.00 C ATOM 433 O ASP A 28 1.462 13.774 6.216 1.00 0.00 O ATOM 434 CB ASP A 28 4.573 13.675 5.482 1.00 0.00 C ATOM 435 CG ASP A 28 5.834 13.669 6.318 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.742 13.451 7.543 1.00 0.00 O ATOM 437 OD2 ASP A 28 6.922 13.937 5.762 1.00 0.00 O ATOM 0 H ASP A 28 4.674 11.271 4.788 1.00 0.00 H new ATOM 0 HA ASP A 28 3.570 12.546 7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.837 13.497 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.118 14.664 5.532 1.00 0.00 H new ATOM 442 N SER A 29 1.766 12.684 4.268 1.00 0.00 N ATOM 443 CA SER A 29 0.457 13.044 3.733 1.00 0.00 C ATOM 444 C SER A 29 -0.671 12.554 4.650 1.00 0.00 C ATOM 445 O SER A 29 -1.624 13.287 4.917 1.00 0.00 O ATOM 446 CB SER A 29 0.290 12.464 2.323 1.00 0.00 C ATOM 447 OG SER A 29 -0.906 12.917 1.709 1.00 0.00 O ATOM 0 H SER A 29 2.336 12.115 3.641 1.00 0.00 H new ATOM 0 HA SER A 29 0.396 14.131 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.145 12.748 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.283 11.375 2.376 1.00 0.00 H new ATOM 0 HG SER A 29 -1.062 12.411 0.884 1.00 0.00 H new ATOM 453 N VAL A 30 -0.546 11.326 5.144 1.00 0.00 N ATOM 454 CA VAL A 30 -1.588 10.721 5.974 1.00 0.00 C ATOM 455 C VAL A 30 -1.199 10.712 7.455 1.00 0.00 C ATOM 456 O VAL A 30 -1.976 10.291 8.314 1.00 0.00 O ATOM 457 CB VAL A 30 -1.904 9.286 5.497 1.00 0.00 C ATOM 458 CG1 VAL A 30 -2.609 9.324 4.154 1.00 0.00 C ATOM 459 CG2 VAL A 30 -0.626 8.477 5.391 1.00 0.00 C ATOM 0 H VAL A 30 0.265 10.729 4.985 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.483 11.334 5.867 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.561 8.812 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.826 8.307 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.541 9.882 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.967 9.811 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.861 7.467 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.046 8.951 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.143 8.430 6.367 1.00 0.00 H new ATOM 469 N GLY A 31 0.011 11.175 7.742 1.00 0.00 N ATOM 470 CA GLY A 31 0.456 11.328 9.117 1.00 0.00 C ATOM 471 C GLY A 31 1.040 10.058 9.709 1.00 0.00 C ATOM 472 O GLY A 31 0.650 9.645 10.801 1.00 0.00 O ATOM 0 H GLY A 31 0.699 11.450 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.205 12.118 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.386 11.651 9.729 1.00 0.00 H new ATOM 476 N ILE A 32 1.973 9.435 9.000 1.00 0.00 N ATOM 477 CA ILE A 32 2.613 8.219 9.483 1.00 0.00 C ATOM 478 C ILE A 32 4.110 8.434 9.721 1.00 0.00 C ATOM 479 O ILE A 32 4.758 9.228 9.031 1.00 0.00 O ATOM 480 CB ILE A 32 2.407 7.070 8.482 1.00 0.00 C ATOM 481 CG1 ILE A 32 0.932 6.866 8.191 1.00 0.00 C ATOM 482 CG2 ILE A 32 3.016 5.775 8.992 1.00 0.00 C ATOM 483 CD1 ILE A 32 0.711 5.976 7.000 1.00 0.00 C ATOM 0 H ILE A 32 2.303 9.752 8.088 1.00 0.00 H new ATOM 0 HA ILE A 32 2.148 7.957 10.433 1.00 0.00 H new ATOM 0 HB ILE A 32 2.915 7.348 7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.447 6.430 9.064 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.460 7.833 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.853 4.983 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.086 5.912 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.546 5.499 9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.359 5.857 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.172 6.424 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.159 5.000 7.187 1.00 0.00 H new ATOM 495 N GLU A 33 4.636 7.730 10.719 1.00 0.00 N ATOM 496 CA GLU A 33 6.048 7.771 11.068 1.00 0.00 C ATOM 497 C GLU A 33 6.878 7.042 10.018 1.00 0.00 C ATOM 498 O GLU A 33 6.351 6.203 9.287 1.00 0.00 O ATOM 499 CB GLU A 33 6.265 7.078 12.413 1.00 0.00 C ATOM 500 CG GLU A 33 5.278 7.481 13.489 1.00 0.00 C ATOM 501 CD GLU A 33 5.133 6.406 14.540 1.00 0.00 C ATOM 502 OE1 GLU A 33 4.429 5.408 14.274 1.00 0.00 O ATOM 503 OE2 GLU A 33 5.736 6.535 15.625 1.00 0.00 O ATOM 0 H GLU A 33 4.086 7.109 11.313 1.00 0.00 H new ATOM 0 HA GLU A 33 6.357 8.815 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.205 6.000 12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.274 7.296 12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.609 8.408 13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.307 7.682 13.036 1.00 0.00 H new ATOM 510 N ALA A 34 8.174 7.338 9.959 1.00 0.00 N ATOM 511 CA ALA A 34 9.059 6.623 9.051 1.00 0.00 C ATOM 512 C ALA A 34 10.521 6.718 9.453 1.00 0.00 C ATOM 513 O ALA A 34 11.114 7.797 9.476 1.00 0.00 O ATOM 514 CB ALA A 34 8.879 7.105 7.623 1.00 0.00 C ATOM 0 H ALA A 34 8.627 8.058 10.522 1.00 0.00 H new ATOM 0 HA ALA A 34 8.775 5.573 9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.552 6.554 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.848 6.938 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.107 8.169 7.567 1.00 0.00 H new ATOM 520 N ASP A 35 11.087 5.560 9.757 1.00 0.00 N ATOM 521 CA ASP A 35 12.519 5.417 9.979 1.00 0.00 C ATOM 522 C ASP A 35 13.218 5.345 8.623 1.00 0.00 C ATOM 523 O ASP A 35 12.555 5.387 7.588 1.00 0.00 O ATOM 524 CB ASP A 35 12.779 4.150 10.813 1.00 0.00 C ATOM 525 CG ASP A 35 14.247 3.910 11.107 1.00 0.00 C ATOM 526 OD1 ASP A 35 14.751 2.819 10.769 1.00 0.00 O ATOM 527 OD2 ASP A 35 14.901 4.816 11.659 1.00 0.00 O ATOM 0 H ASP A 35 10.565 4.690 9.857 1.00 0.00 H new ATOM 0 HA ASP A 35 12.913 6.271 10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.236 4.227 11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.377 3.287 10.283 1.00 0.00 H new ATOM 532 N ASP A 36 14.536 5.275 8.607 1.00 0.00 N ATOM 533 CA ASP A 36 15.261 5.119 7.355 1.00 0.00 C ATOM 534 C ASP A 36 15.709 3.685 7.173 1.00 0.00 C ATOM 535 O ASP A 36 15.495 3.090 6.115 1.00 0.00 O ATOM 536 CB ASP A 36 16.470 6.049 7.290 1.00 0.00 C ATOM 537 CG ASP A 36 16.085 7.467 6.928 1.00 0.00 C ATOM 538 OD1 ASP A 36 16.251 7.849 5.745 1.00 0.00 O ATOM 539 OD2 ASP A 36 15.584 8.195 7.809 1.00 0.00 O ATOM 0 H ASP A 36 15.125 5.323 9.439 1.00 0.00 H new ATOM 0 HA ASP A 36 14.579 5.386 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.979 6.048 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.179 5.669 6.555 1.00 0.00 H new ATOM 544 N ASP A 37 16.305 3.124 8.216 1.00 0.00 N ATOM 545 CA ASP A 37 16.834 1.770 8.147 1.00 0.00 C ATOM 546 C ASP A 37 15.704 0.774 7.936 1.00 0.00 C ATOM 547 O ASP A 37 15.665 0.085 6.918 1.00 0.00 O ATOM 548 CB ASP A 37 17.608 1.410 9.419 1.00 0.00 C ATOM 549 CG ASP A 37 18.268 0.043 9.329 1.00 0.00 C ATOM 550 OD1 ASP A 37 17.584 -0.980 9.559 1.00 0.00 O ATOM 551 OD2 ASP A 37 19.477 -0.020 9.027 1.00 0.00 O ATOM 0 H ASP A 37 16.434 3.584 9.117 1.00 0.00 H new ATOM 0 HA ASP A 37 17.521 1.724 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.370 2.167 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.929 1.427 10.271 1.00 0.00 H new ATOM 556 N ARG A 38 14.771 0.732 8.888 1.00 0.00 N ATOM 557 CA ARG A 38 13.639 -0.185 8.825 1.00 0.00 C ATOM 558 C ARG A 38 12.878 -0.013 7.517 1.00 0.00 C ATOM 559 O ARG A 38 12.455 -0.988 6.895 1.00 0.00 O ATOM 560 CB ARG A 38 12.700 0.062 10.007 1.00 0.00 C ATOM 561 CG ARG A 38 11.365 -0.644 9.872 1.00 0.00 C ATOM 562 CD ARG A 38 11.468 -2.137 10.125 1.00 0.00 C ATOM 563 NE ARG A 38 11.607 -2.443 11.549 1.00 0.00 N ATOM 564 CZ ARG A 38 11.207 -3.586 12.109 1.00 0.00 C ATOM 565 NH1 ARG A 38 10.714 -4.565 11.357 1.00 0.00 N ATOM 566 NH2 ARG A 38 11.312 -3.760 13.419 1.00 0.00 N ATOM 0 H ARG A 38 14.780 1.328 9.716 1.00 0.00 H new ATOM 0 HA ARG A 38 14.020 -1.205 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.187 -0.270 10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.528 1.134 10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.655 -0.208 10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.968 -0.475 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.581 -2.633 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.324 -2.538 9.583 1.00 0.00 H new ATOM 0 HE ARG A 38 12.036 -1.740 12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.640 -4.444 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.410 -5.437 11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.700 -3.019 14.002 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.005 -4.635 13.843 1.00 0.00 H new ATOM 580 N LEU A 39 12.722 1.234 7.106 1.00 0.00 N ATOM 581 CA LEU A 39 12.018 1.566 5.881 1.00 0.00 C ATOM 582 C LEU A 39 12.710 0.952 4.670 1.00 0.00 C ATOM 583 O LEU A 39 12.084 0.223 3.902 1.00 0.00 O ATOM 584 CB LEU A 39 11.915 3.091 5.766 1.00 0.00 C ATOM 585 CG LEU A 39 11.528 3.670 4.403 1.00 0.00 C ATOM 586 CD1 LEU A 39 10.383 2.900 3.769 1.00 0.00 C ATOM 587 CD2 LEU A 39 11.149 5.132 4.566 1.00 0.00 C ATOM 0 H LEU A 39 13.080 2.044 7.612 1.00 0.00 H new ATOM 0 HA LEU A 39 11.012 1.147 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.184 3.435 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.877 3.516 6.052 1.00 0.00 H new ATOM 0 HG LEU A 39 12.388 3.582 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.138 3.342 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.678 1.860 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.510 2.944 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.873 5.547 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.304 5.215 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.997 5.685 4.969 1.00 0.00 H new ATOM 599 N ASN A 40 13.995 1.219 4.517 1.00 0.00 N ATOM 600 CA ASN A 40 14.748 0.667 3.400 1.00 0.00 C ATOM 601 C ASN A 40 14.759 -0.857 3.464 1.00 0.00 C ATOM 602 O ASN A 40 14.797 -1.524 2.438 1.00 0.00 O ATOM 603 CB ASN A 40 16.175 1.216 3.385 1.00 0.00 C ATOM 604 CG ASN A 40 17.003 0.679 2.231 1.00 0.00 C ATOM 605 OD1 ASN A 40 17.679 -0.341 2.357 1.00 0.00 O ATOM 606 ND2 ASN A 40 16.964 1.369 1.102 1.00 0.00 N ATOM 0 H ASN A 40 14.538 1.810 5.146 1.00 0.00 H new ATOM 0 HA ASN A 40 14.258 0.969 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.140 2.304 3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.666 0.964 4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.507 1.060 0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.391 2.210 1.038 1.00 0.00 H new ATOM 613 N LYS A 41 14.697 -1.407 4.675 1.00 0.00 N ATOM 614 CA LYS A 41 14.636 -2.853 4.850 1.00 0.00 C ATOM 615 C LYS A 41 13.329 -3.409 4.299 1.00 0.00 C ATOM 616 O LYS A 41 13.335 -4.389 3.554 1.00 0.00 O ATOM 617 CB LYS A 41 14.787 -3.244 6.322 1.00 0.00 C ATOM 618 CG LYS A 41 16.104 -2.797 6.936 1.00 0.00 C ATOM 619 CD LYS A 41 17.294 -3.308 6.141 1.00 0.00 C ATOM 620 CE LYS A 41 18.580 -2.594 6.528 1.00 0.00 C ATOM 621 NZ LYS A 41 18.911 -2.747 7.972 1.00 0.00 N ATOM 0 H LYS A 41 14.688 -0.874 5.545 1.00 0.00 H new ATOM 0 HA LYS A 41 15.468 -3.284 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.964 -2.811 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.702 -4.327 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.135 -1.708 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.169 -3.159 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.409 -4.379 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.107 -3.168 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.402 -2.984 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.488 -1.534 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.804 -2.256 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.149 -2.336 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.011 -3.757 8.200 1.00 0.00 H new ATOM 635 N VAL A 42 12.215 -2.776 4.659 1.00 0.00 N ATOM 636 CA VAL A 42 10.914 -3.174 4.143 1.00 0.00 C ATOM 637 C VAL A 42 10.877 -3.027 2.621 1.00 0.00 C ATOM 638 O VAL A 42 10.396 -3.907 1.902 1.00 0.00 O ATOM 639 CB VAL A 42 9.791 -2.331 4.775 1.00 0.00 C ATOM 640 CG1 VAL A 42 8.450 -2.706 4.172 1.00 0.00 C ATOM 641 CG2 VAL A 42 9.779 -2.519 6.288 1.00 0.00 C ATOM 0 H VAL A 42 12.190 -1.987 5.305 1.00 0.00 H new ATOM 0 HA VAL A 42 10.754 -4.220 4.405 1.00 0.00 H new ATOM 0 HB VAL A 42 9.977 -1.278 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.665 -2.103 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.470 -2.524 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.250 -3.761 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.981 -1.918 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.611 -3.570 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.737 -2.204 6.701 1.00 0.00 H new ATOM 651 N ILE A 43 11.411 -1.914 2.144 1.00 0.00 N ATOM 652 CA ILE A 43 11.534 -1.649 0.726 1.00 0.00 C ATOM 653 C ILE A 43 12.374 -2.719 0.039 1.00 0.00 C ATOM 654 O ILE A 43 12.018 -3.232 -1.024 1.00 0.00 O ATOM 655 CB ILE A 43 12.154 -0.278 0.528 1.00 0.00 C ATOM 656 CG1 ILE A 43 11.128 0.745 1.004 1.00 0.00 C ATOM 657 CG2 ILE A 43 12.544 -0.062 -0.925 1.00 0.00 C ATOM 658 CD1 ILE A 43 11.120 1.995 0.191 1.00 0.00 C ATOM 0 H ILE A 43 11.773 -1.167 2.736 1.00 0.00 H new ATOM 0 HA ILE A 43 10.542 -1.670 0.275 1.00 0.00 H new ATOM 0 HB ILE A 43 13.075 -0.177 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.136 0.295 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.333 0.998 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.986 0.928 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.268 -0.820 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.658 -0.139 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.368 2.679 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.101 2.467 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.885 1.753 -0.846 1.00 0.00 H new ATOM 670 N SER A 44 13.478 -3.063 0.678 1.00 0.00 N ATOM 671 CA SER A 44 14.397 -4.061 0.164 1.00 0.00 C ATOM 672 C SER A 44 13.743 -5.444 0.157 1.00 0.00 C ATOM 673 O SER A 44 13.981 -6.242 -0.753 1.00 0.00 O ATOM 674 CB SER A 44 15.673 -4.055 1.007 1.00 0.00 C ATOM 675 OG SER A 44 16.708 -4.812 0.397 1.00 0.00 O ATOM 0 H SER A 44 13.762 -2.657 1.569 1.00 0.00 H new ATOM 0 HA SER A 44 14.656 -3.818 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.009 -3.028 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.458 -4.462 1.995 1.00 0.00 H new ATOM 0 HG SER A 44 17.509 -4.786 0.961 1.00 0.00 H new ATOM 681 N GLU A 45 12.912 -5.719 1.163 1.00 0.00 N ATOM 682 CA GLU A 45 12.119 -6.944 1.188 1.00 0.00 C ATOM 683 C GLU A 45 11.247 -7.017 -0.057 1.00 0.00 C ATOM 684 O GLU A 45 11.288 -7.994 -0.803 1.00 0.00 O ATOM 685 CB GLU A 45 11.233 -6.990 2.438 1.00 0.00 C ATOM 686 CG GLU A 45 11.938 -7.482 3.691 1.00 0.00 C ATOM 687 CD GLU A 45 12.146 -8.985 3.697 1.00 0.00 C ATOM 688 OE1 GLU A 45 11.142 -9.728 3.684 1.00 0.00 O ATOM 689 OE2 GLU A 45 13.311 -9.432 3.750 1.00 0.00 O ATOM 0 H GLU A 45 12.772 -5.110 1.969 1.00 0.00 H new ATOM 0 HA GLU A 45 12.799 -7.796 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.839 -5.991 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.379 -7.637 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.905 -6.986 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.354 -7.197 4.566 1.00 0.00 H new ATOM 696 N LEU A 46 10.480 -5.958 -0.281 1.00 0.00 N ATOM 697 CA LEU A 46 9.585 -5.868 -1.431 1.00 0.00 C ATOM 698 C LEU A 46 10.348 -5.920 -2.752 1.00 0.00 C ATOM 699 O LEU A 46 9.826 -6.378 -3.762 1.00 0.00 O ATOM 700 CB LEU A 46 8.789 -4.575 -1.353 1.00 0.00 C ATOM 701 CG LEU A 46 7.756 -4.535 -0.236 1.00 0.00 C ATOM 702 CD1 LEU A 46 7.359 -3.110 0.053 1.00 0.00 C ATOM 703 CD2 LEU A 46 6.529 -5.353 -0.611 1.00 0.00 C ATOM 0 H LEU A 46 10.459 -5.139 0.326 1.00 0.00 H new ATOM 0 HA LEU A 46 8.914 -6.727 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.482 -3.744 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.282 -4.417 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 46 8.200 -4.969 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.620 -3.094 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.238 -2.542 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.932 -2.662 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.802 -5.312 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.083 -4.945 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.821 -6.389 -0.784 1.00 0.00 H new ATOM 715 N ASN A 47 11.581 -5.433 -2.736 1.00 0.00 N ATOM 716 CA ASN A 47 12.410 -5.404 -3.937 1.00 0.00 C ATOM 717 C ASN A 47 12.990 -6.787 -4.244 1.00 0.00 C ATOM 718 O ASN A 47 13.063 -7.194 -5.404 1.00 0.00 O ATOM 719 CB ASN A 47 13.540 -4.384 -3.764 1.00 0.00 C ATOM 720 CG ASN A 47 14.409 -4.230 -5.002 1.00 0.00 C ATOM 721 OD1 ASN A 47 15.605 -3.958 -4.897 1.00 0.00 O ATOM 722 ND2 ASN A 47 13.821 -4.381 -6.180 1.00 0.00 N ATOM 0 H ASN A 47 12.032 -5.052 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 47 11.782 -5.109 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.110 -3.416 -3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.166 -4.686 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.362 -4.272 -7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.827 -4.606 -6.229 1.00 0.00 H new ATOM 729 N GLY A 48 13.397 -7.503 -3.201 1.00 0.00 N ATOM 730 CA GLY A 48 13.975 -8.823 -3.386 1.00 0.00 C ATOM 731 C GLY A 48 12.921 -9.895 -3.575 1.00 0.00 C ATOM 732 O GLY A 48 13.189 -10.956 -4.142 1.00 0.00 O ATOM 0 H GLY A 48 13.337 -7.194 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.635 -8.809 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.591 -9.071 -2.521 1.00 0.00 H new ATOM 736 N LYS A 49 11.723 -9.619 -3.091 1.00 0.00 N ATOM 737 CA LYS A 49 10.609 -10.543 -3.215 1.00 0.00 C ATOM 738 C LYS A 49 9.539 -9.948 -4.118 1.00 0.00 C ATOM 739 O LYS A 49 9.790 -8.993 -4.853 1.00 0.00 O ATOM 740 CB LYS A 49 10.006 -10.832 -1.839 1.00 0.00 C ATOM 741 CG LYS A 49 10.976 -11.466 -0.856 1.00 0.00 C ATOM 742 CD LYS A 49 10.326 -11.636 0.504 1.00 0.00 C ATOM 743 CE LYS A 49 11.257 -12.290 1.508 1.00 0.00 C ATOM 744 NZ LYS A 49 10.689 -12.251 2.881 1.00 0.00 N ATOM 0 H LYS A 49 11.495 -8.753 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 49 10.976 -11.473 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.633 -9.900 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.147 -11.492 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.302 -12.436 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.867 -10.844 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.016 -10.661 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.424 -12.240 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.439 -13.325 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.221 -11.782 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.116 -13.006 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.894 -11.329 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.659 -12.391 2.835 1.00 0.00 H new ATOM 758 N ASN A 50 8.354 -10.526 -4.073 1.00 0.00 N ATOM 759 CA ASN A 50 7.198 -9.929 -4.721 1.00 0.00 C ATOM 760 C ASN A 50 6.459 -9.071 -3.708 1.00 0.00 C ATOM 761 O ASN A 50 6.462 -9.400 -2.518 1.00 0.00 O ATOM 762 CB ASN A 50 6.257 -11.001 -5.284 1.00 0.00 C ATOM 763 CG ASN A 50 6.834 -11.728 -6.482 1.00 0.00 C ATOM 764 OD1 ASN A 50 7.610 -11.168 -7.255 1.00 0.00 O ATOM 765 ND2 ASN A 50 6.450 -12.985 -6.654 1.00 0.00 N ATOM 0 H ASN A 50 8.165 -11.407 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 50 7.540 -9.318 -5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.031 -11.725 -4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.314 -10.535 -5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.800 -13.521 -7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.805 -13.416 -5.992 1.00 0.00 H new ATOM 772 N ILE A 51 5.852 -7.979 -4.147 1.00 0.00 N ATOM 773 CA ILE A 51 5.152 -7.096 -3.221 1.00 0.00 C ATOM 774 C ILE A 51 4.081 -7.868 -2.467 1.00 0.00 C ATOM 775 O ILE A 51 4.004 -7.804 -1.241 1.00 0.00 O ATOM 776 CB ILE A 51 4.520 -5.872 -3.916 1.00 0.00 C ATOM 777 CG1 ILE A 51 5.532 -4.742 -4.124 1.00 0.00 C ATOM 778 CG2 ILE A 51 3.343 -5.341 -3.124 1.00 0.00 C ATOM 779 CD1 ILE A 51 6.818 -5.152 -4.803 1.00 0.00 C ATOM 0 H ILE A 51 5.828 -7.684 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 51 5.901 -6.718 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 51 4.178 -6.216 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.061 -3.957 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.774 -4.308 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.918 -4.479 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.585 -6.119 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.678 -5.042 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.469 -4.283 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.319 -5.913 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.595 -5.556 -5.790 1.00 0.00 H new ATOM 791 N GLU A 52 3.293 -8.638 -3.210 1.00 0.00 N ATOM 792 CA GLU A 52 2.186 -9.396 -2.642 1.00 0.00 C ATOM 793 C GLU A 52 2.698 -10.356 -1.581 1.00 0.00 C ATOM 794 O GLU A 52 2.086 -10.521 -0.530 1.00 0.00 O ATOM 795 CB GLU A 52 1.451 -10.198 -3.717 1.00 0.00 C ATOM 796 CG GLU A 52 1.504 -9.596 -5.107 1.00 0.00 C ATOM 797 CD GLU A 52 2.758 -9.997 -5.849 1.00 0.00 C ATOM 798 OE1 GLU A 52 2.749 -11.069 -6.484 1.00 0.00 O ATOM 799 OE2 GLU A 52 3.753 -9.254 -5.778 1.00 0.00 O ATOM 0 H GLU A 52 3.403 -8.753 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 52 1.493 -8.681 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.875 -11.202 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.407 -10.303 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.629 -9.915 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.458 -8.509 -5.034 1.00 0.00 H new ATOM 806 N ASP A 53 3.831 -10.976 -1.878 1.00 0.00 N ATOM 807 CA ASP A 53 4.459 -11.930 -0.975 1.00 0.00 C ATOM 808 C ASP A 53 4.861 -11.235 0.319 1.00 0.00 C ATOM 809 O ASP A 53 4.410 -11.610 1.401 1.00 0.00 O ATOM 810 CB ASP A 53 5.683 -12.556 -1.656 1.00 0.00 C ATOM 811 CG ASP A 53 6.335 -13.651 -0.835 1.00 0.00 C ATOM 812 OD1 ASP A 53 5.734 -14.741 -0.711 1.00 0.00 O ATOM 813 OD2 ASP A 53 7.468 -13.445 -0.353 1.00 0.00 O ATOM 0 H ASP A 53 4.340 -10.832 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 53 3.750 -12.722 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.383 -12.965 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.417 -11.776 -1.855 1.00 0.00 H new ATOM 818 N VAL A 54 5.666 -10.187 0.189 1.00 0.00 N ATOM 819 CA VAL A 54 6.123 -9.413 1.334 1.00 0.00 C ATOM 820 C VAL A 54 4.942 -8.842 2.119 1.00 0.00 C ATOM 821 O VAL A 54 4.948 -8.838 3.349 1.00 0.00 O ATOM 822 CB VAL A 54 7.067 -8.284 0.879 1.00 0.00 C ATOM 823 CG1 VAL A 54 7.379 -7.317 2.009 1.00 0.00 C ATOM 824 CG2 VAL A 54 8.343 -8.873 0.333 1.00 0.00 C ATOM 0 H VAL A 54 6.018 -9.852 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 54 6.674 -10.082 1.995 1.00 0.00 H new ATOM 0 HB VAL A 54 6.559 -7.720 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.048 -6.536 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.454 -6.865 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.860 -7.855 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.007 -8.070 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.833 -9.461 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.113 -9.514 -0.518 1.00 0.00 H new ATOM 834 N ILE A 55 3.928 -8.375 1.402 1.00 0.00 N ATOM 835 CA ILE A 55 2.709 -7.893 2.025 1.00 0.00 C ATOM 836 C ILE A 55 2.025 -8.976 2.831 1.00 0.00 C ATOM 837 O ILE A 55 1.793 -8.827 4.029 1.00 0.00 O ATOM 838 CB ILE A 55 1.730 -7.338 0.974 1.00 0.00 C ATOM 839 CG1 ILE A 55 2.300 -5.993 0.486 1.00 0.00 C ATOM 840 CG2 ILE A 55 0.341 -7.213 1.581 1.00 0.00 C ATOM 841 CD1 ILE A 55 1.412 -5.195 -0.423 1.00 0.00 C ATOM 0 H ILE A 55 3.929 -8.321 0.383 1.00 0.00 H new ATOM 0 HA ILE A 55 2.999 -7.090 2.702 1.00 0.00 H new ATOM 0 HB ILE A 55 1.626 -8.004 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.537 -5.383 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.239 -6.185 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.349 -6.820 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.002 -8.194 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.376 -6.535 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.915 -4.269 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.194 -5.775 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.481 -4.960 0.092 1.00 0.00 H new ATOM 853 N ALA A 56 1.733 -10.076 2.177 1.00 0.00 N ATOM 854 CA ALA A 56 0.952 -11.126 2.784 1.00 0.00 C ATOM 855 C ALA A 56 1.729 -11.835 3.893 1.00 0.00 C ATOM 856 O ALA A 56 1.154 -12.570 4.699 1.00 0.00 O ATOM 857 CB ALA A 56 0.477 -12.070 1.702 1.00 0.00 C ATOM 0 H ALA A 56 2.027 -10.267 1.219 1.00 0.00 H new ATOM 0 HA ALA A 56 0.077 -10.698 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.115 -12.868 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.135 -11.523 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.338 -12.500 1.190 1.00 0.00 H new ATOM 863 N GLN A 57 3.035 -11.604 3.932 1.00 0.00 N ATOM 864 CA GLN A 57 3.860 -12.057 5.048 1.00 0.00 C ATOM 865 C GLN A 57 3.918 -11.008 6.165 1.00 0.00 C ATOM 866 O GLN A 57 3.671 -11.317 7.329 1.00 0.00 O ATOM 867 CB GLN A 57 5.286 -12.360 4.582 1.00 0.00 C ATOM 868 CG GLN A 57 5.383 -13.464 3.546 1.00 0.00 C ATOM 869 CD GLN A 57 6.814 -13.737 3.122 1.00 0.00 C ATOM 870 OE1 GLN A 57 7.669 -12.846 3.146 1.00 0.00 O ATOM 871 NE2 GLN A 57 7.089 -14.971 2.737 1.00 0.00 N ATOM 0 H GLN A 57 3.547 -11.106 3.204 1.00 0.00 H new ATOM 0 HA GLN A 57 3.399 -12.965 5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.722 -11.450 4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.888 -12.636 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.947 -14.377 3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.794 -13.190 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.355 -15.679 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.035 -15.215 2.446 1.00 0.00 H new ATOM 880 N GLY A 58 4.229 -9.765 5.802 1.00 0.00 N ATOM 881 CA GLY A 58 4.568 -8.756 6.796 1.00 0.00 C ATOM 882 C GLY A 58 3.417 -7.856 7.216 1.00 0.00 C ATOM 883 O GLY A 58 3.640 -6.849 7.895 1.00 0.00 O ATOM 0 H GLY A 58 4.253 -9.437 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.960 -9.257 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.371 -8.133 6.401 1.00 0.00 H new ATOM 887 N ILE A 59 2.200 -8.186 6.813 1.00 0.00 N ATOM 888 CA ILE A 59 1.029 -7.448 7.274 1.00 0.00 C ATOM 889 C ILE A 59 0.280 -8.238 8.341 1.00 0.00 C ATOM 890 O ILE A 59 0.227 -7.833 9.506 1.00 0.00 O ATOM 891 CB ILE A 59 0.089 -7.077 6.126 1.00 0.00 C ATOM 892 CG1 ILE A 59 0.838 -6.130 5.199 1.00 0.00 C ATOM 893 CG2 ILE A 59 -1.182 -6.430 6.665 1.00 0.00 C ATOM 894 CD1 ILE A 59 -0.061 -5.354 4.307 1.00 0.00 C ATOM 0 H ILE A 59 1.995 -8.953 6.173 1.00 0.00 H new ATOM 0 HA ILE A 59 1.390 -6.517 7.711 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.214 -7.969 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.431 -5.439 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.537 -6.704 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.839 -6.172 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.692 -7.128 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.924 -5.526 7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.534 -4.698 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.635 -6.039 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.743 -4.754 4.910 1.00 0.00 H new ATOM 1060 N ARG B 2 -3.754 -0.150 -7.273 1.00 0.00 N ATOM 1061 CA ARG B 2 -3.677 1.308 -7.343 1.00 0.00 C ATOM 1062 C ARG B 2 -4.163 1.957 -6.047 1.00 0.00 C ATOM 1063 O ARG B 2 -3.500 2.831 -5.497 1.00 0.00 O ATOM 1064 CB ARG B 2 -4.505 1.824 -8.526 1.00 0.00 C ATOM 1065 CG ARG B 2 -4.082 1.239 -9.865 1.00 0.00 C ATOM 1066 CD ARG B 2 -2.773 1.835 -10.362 1.00 0.00 C ATOM 1067 NE ARG B 2 -2.973 3.100 -11.071 1.00 0.00 N ATOM 1068 CZ ARG B 2 -1.983 3.908 -11.451 1.00 0.00 C ATOM 1069 NH1 ARG B 2 -0.718 3.590 -11.197 1.00 0.00 N ATOM 1070 NH2 ARG B 2 -2.253 5.024 -12.114 1.00 0.00 N ATOM 0 HA ARG B 2 -2.631 1.580 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -5.556 1.591 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -4.422 2.910 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.975 0.158 -9.770 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -4.865 1.419 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.105 1.997 -9.516 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.281 1.123 -11.025 1.00 0.00 H new ATOM 0 HE ARG B 2 -3.929 3.381 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -0.499 2.722 -10.708 1.00 0.00 H new ATOM 0 HH12 ARG B 2 0.034 4.214 -11.491 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -3.219 5.265 -12.334 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.494 5.641 -12.404 1.00 0.00 H new ATOM 1084 N TYR B 3 -5.309 1.510 -5.551 1.00 0.00 N ATOM 1085 CA TYR B 3 -5.923 2.139 -4.387 1.00 0.00 C ATOM 1086 C TYR B 3 -5.480 1.504 -3.085 1.00 0.00 C ATOM 1087 O TYR B 3 -5.598 2.116 -2.031 1.00 0.00 O ATOM 1088 CB TYR B 3 -7.435 2.066 -4.496 1.00 0.00 C ATOM 1089 CG TYR B 3 -7.924 2.547 -5.827 1.00 0.00 C ATOM 1090 CD1 TYR B 3 -8.798 1.793 -6.586 1.00 0.00 C ATOM 1091 CD2 TYR B 3 -7.479 3.754 -6.335 1.00 0.00 C ATOM 1092 CE1 TYR B 3 -9.216 2.230 -7.821 1.00 0.00 C ATOM 1093 CE2 TYR B 3 -7.887 4.199 -7.559 1.00 0.00 C ATOM 1094 CZ TYR B 3 -8.758 3.439 -8.309 1.00 0.00 C ATOM 1095 OH TYR B 3 -9.171 3.887 -9.546 1.00 0.00 O ATOM 0 H TYR B 3 -5.830 0.720 -5.932 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.596 3.179 -4.375 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -7.761 1.038 -4.340 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -7.885 2.666 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -9.157 0.849 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.796 4.355 -5.753 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -9.898 1.632 -8.406 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.528 5.144 -7.939 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.951 3.370 -9.838 1.00 0.00 H new ATOM 1105 N VAL B 4 -4.978 0.280 -3.155 1.00 0.00 N ATOM 1106 CA VAL B 4 -4.556 -0.430 -1.955 1.00 0.00 C ATOM 1107 C VAL B 4 -3.450 0.328 -1.241 1.00 0.00 C ATOM 1108 O VAL B 4 -3.411 0.384 -0.017 1.00 0.00 O ATOM 1109 CB VAL B 4 -4.080 -1.858 -2.282 1.00 0.00 C ATOM 1110 CG1 VAL B 4 -3.502 -2.533 -1.056 1.00 0.00 C ATOM 1111 CG2 VAL B 4 -5.226 -2.679 -2.823 1.00 0.00 C ATOM 0 H VAL B 4 -4.853 -0.240 -4.023 1.00 0.00 H new ATOM 0 HA VAL B 4 -5.423 -0.499 -1.298 1.00 0.00 H new ATOM 0 HB VAL B 4 -3.298 -1.787 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL B 4 -3.174 -3.540 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL B 4 -2.652 -1.957 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL B 4 -4.264 -2.589 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL B 4 -4.877 -3.686 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL B 4 -6.020 -2.730 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL B 4 -5.609 -2.214 -3.731 1.00 0.00 H new ATOM 1121 N ALA B 5 -2.575 0.930 -2.021 1.00 0.00 N ATOM 1122 CA ALA B 5 -1.472 1.707 -1.490 1.00 0.00 C ATOM 1123 C ALA B 5 -1.967 2.827 -0.574 1.00 0.00 C ATOM 1124 O ALA B 5 -1.567 2.931 0.592 1.00 0.00 O ATOM 1125 CB ALA B 5 -0.685 2.282 -2.643 1.00 0.00 C ATOM 0 H ALA B 5 -2.608 0.895 -3.040 1.00 0.00 H new ATOM 0 HA ALA B 5 -0.836 1.055 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA B 5 0.148 2.869 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -0.302 1.471 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -1.333 2.921 -3.243 1.00 0.00 H new ATOM 1131 N SER B 6 -2.859 3.648 -1.108 1.00 0.00 N ATOM 1132 CA SER B 6 -3.412 4.769 -0.368 1.00 0.00 C ATOM 1133 C SER B 6 -4.388 4.289 0.700 1.00 0.00 C ATOM 1134 O SER B 6 -4.465 4.866 1.787 1.00 0.00 O ATOM 1135 CB SER B 6 -4.092 5.721 -1.344 1.00 0.00 C ATOM 1136 OG SER B 6 -4.602 5.005 -2.456 1.00 0.00 O ATOM 0 H SER B 6 -3.217 3.556 -2.059 1.00 0.00 H new ATOM 0 HA SER B 6 -2.607 5.296 0.145 1.00 0.00 H new ATOM 0 HB2 SER B 6 -4.902 6.250 -0.842 1.00 0.00 H new ATOM 0 HB3 SER B 6 -3.381 6.474 -1.683 1.00 0.00 H new ATOM 0 HG SER B 6 -5.007 4.167 -2.148 1.00 0.00 H new ATOM 1142 N TYR B 7 -5.129 3.230 0.382 1.00 0.00 N ATOM 1143 CA TYR B 7 -6.020 2.594 1.345 1.00 0.00 C ATOM 1144 C TYR B 7 -5.235 2.205 2.593 1.00 0.00 C ATOM 1145 O TYR B 7 -5.619 2.546 3.720 1.00 0.00 O ATOM 1146 CB TYR B 7 -6.687 1.357 0.719 1.00 0.00 C ATOM 1147 CG TYR B 7 -7.387 0.473 1.719 1.00 0.00 C ATOM 1148 CD1 TYR B 7 -8.693 0.733 2.103 1.00 0.00 C ATOM 1149 CD2 TYR B 7 -6.740 -0.626 2.273 1.00 0.00 C ATOM 1150 CE1 TYR B 7 -9.340 -0.071 3.019 1.00 0.00 C ATOM 1151 CE2 TYR B 7 -7.379 -1.435 3.191 1.00 0.00 C ATOM 1152 CZ TYR B 7 -8.678 -1.154 3.562 1.00 0.00 C ATOM 1153 OH TYR B 7 -9.317 -1.959 4.476 1.00 0.00 O ATOM 0 H TYR B 7 -5.129 2.794 -0.540 1.00 0.00 H new ATOM 0 HA TYR B 7 -6.803 3.298 1.626 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -7.408 1.684 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -5.929 0.772 0.198 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -9.213 1.579 1.678 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -5.724 -0.850 1.981 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -10.357 0.146 3.309 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -6.865 -2.284 3.617 1.00 0.00 H new ATOM 0 HH TYR B 7 -10.280 -1.962 4.293 1.00 0.00 H new ATOM 1163 N LEU B 8 -4.120 1.511 2.380 1.00 0.00 N ATOM 1164 CA LEU B 8 -3.254 1.111 3.473 1.00 0.00 C ATOM 1165 C LEU B 8 -2.787 2.334 4.252 1.00 0.00 C ATOM 1166 O LEU B 8 -3.004 2.415 5.455 1.00 0.00 O ATOM 1167 CB LEU B 8 -2.037 0.320 2.970 1.00 0.00 C ATOM 1168 CG LEU B 8 -2.137 -1.199 3.090 1.00 0.00 C ATOM 1169 CD1 LEU B 8 -3.224 -1.732 2.185 1.00 0.00 C ATOM 1170 CD2 LEU B 8 -0.798 -1.838 2.757 1.00 0.00 C ATOM 0 H LEU B 8 -3.799 1.216 1.458 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.833 0.461 4.130 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.870 0.573 1.923 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.158 0.652 3.522 1.00 0.00 H new ATOM 0 HG LEU B 8 -2.397 -1.453 4.117 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -3.281 -2.816 2.284 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.180 -1.291 2.467 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -2.996 -1.473 1.151 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -0.880 -2.921 2.846 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.514 -1.578 1.737 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -0.039 -1.474 3.449 1.00 0.00 H new ATOM 1182 N LEU B 9 -2.167 3.290 3.552 1.00 0.00 N ATOM 1183 CA LEU B 9 -1.678 4.523 4.184 1.00 0.00 C ATOM 1184 C LEU B 9 -2.731 5.156 5.087 1.00 0.00 C ATOM 1185 O LEU B 9 -2.455 5.482 6.240 1.00 0.00 O ATOM 1186 CB LEU B 9 -1.268 5.558 3.136 1.00 0.00 C ATOM 1187 CG LEU B 9 0.162 5.457 2.610 1.00 0.00 C ATOM 1188 CD1 LEU B 9 0.448 6.612 1.692 1.00 0.00 C ATOM 1189 CD2 LEU B 9 1.167 5.466 3.738 1.00 0.00 C ATOM 0 H LEU B 9 -1.991 3.235 2.549 1.00 0.00 H new ATOM 0 HA LEU B 9 -0.814 4.234 4.783 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.950 5.477 2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.406 6.551 3.563 1.00 0.00 H new ATOM 0 HG LEU B 9 0.253 4.514 2.071 1.00 0.00 H new ATOM 0 HD11 LEU B 9 1.469 6.536 1.319 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -0.247 6.591 0.853 1.00 0.00 H new ATOM 0 HD13 LEU B 9 0.330 7.548 2.237 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.174 5.393 3.328 1.00 0.00 H new ATOM 0 HD22 LEU B 9 1.072 6.393 4.303 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.981 4.618 4.398 1.00 0.00 H new ATOM 1201 N ALA B 10 -3.934 5.328 4.553 1.00 0.00 N ATOM 1202 CA ALA B 10 -5.014 5.956 5.297 1.00 0.00 C ATOM 1203 C ALA B 10 -5.341 5.151 6.552 1.00 0.00 C ATOM 1204 O ALA B 10 -5.592 5.723 7.616 1.00 0.00 O ATOM 1205 CB ALA B 10 -6.251 6.095 4.418 1.00 0.00 C ATOM 0 H ALA B 10 -4.184 5.041 3.607 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.689 6.951 5.602 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -7.051 6.567 4.988 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -6.013 6.710 3.550 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -6.575 5.108 4.086 1.00 0.00 H new ATOM 1211 N ALA B 11 -5.309 3.825 6.427 1.00 0.00 N ATOM 1212 CA ALA B 11 -5.579 2.939 7.552 1.00 0.00 C ATOM 1213 C ALA B 11 -4.532 3.115 8.645 1.00 0.00 C ATOM 1214 O ALA B 11 -4.849 3.138 9.836 1.00 0.00 O ATOM 1215 CB ALA B 11 -5.613 1.488 7.089 1.00 0.00 C ATOM 0 H ALA B 11 -5.098 3.342 5.554 1.00 0.00 H new ATOM 0 HA ALA B 11 -6.554 3.202 7.963 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.816 0.839 7.941 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.397 1.363 6.343 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.650 1.223 6.652 1.00 0.00 H new ATOM 1221 N LEU B 12 -3.284 3.261 8.226 1.00 0.00 N ATOM 1222 CA LEU B 12 -2.167 3.365 9.157 1.00 0.00 C ATOM 1223 C LEU B 12 -2.128 4.751 9.787 1.00 0.00 C ATOM 1224 O LEU B 12 -1.569 4.938 10.867 1.00 0.00 O ATOM 1225 CB LEU B 12 -0.847 3.091 8.434 1.00 0.00 C ATOM 1226 CG LEU B 12 -0.927 2.061 7.307 1.00 0.00 C ATOM 1227 CD1 LEU B 12 0.419 1.885 6.639 1.00 0.00 C ATOM 1228 CD2 LEU B 12 -1.468 0.731 7.809 1.00 0.00 C ATOM 0 H LEU B 12 -3.017 3.310 7.243 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.305 2.622 9.943 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.475 4.029 8.022 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.114 2.750 9.165 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.626 2.439 6.561 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.335 1.147 5.841 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.745 2.837 6.220 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.148 1.544 7.374 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.512 0.021 6.983 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.812 0.342 8.587 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.468 0.876 8.217 1.00 0.00 H new ATOM 1240 N GLY B 13 -2.736 5.713 9.100 1.00 0.00 N ATOM 1241 CA GLY B 13 -2.767 7.081 9.583 1.00 0.00 C ATOM 1242 C GLY B 13 -3.866 7.318 10.601 1.00 0.00 C ATOM 1243 O GLY B 13 -4.165 8.461 10.950 1.00 0.00 O ATOM 0 H GLY B 13 -3.212 5.567 8.210 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.804 7.326 10.031 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.907 7.757 8.739 1.00 0.00 H new ATOM 1247 N GLY B 14 -4.479 6.241 11.069 1.00 0.00 N ATOM 1248 CA GLY B 14 -5.475 6.354 12.112 1.00 0.00 C ATOM 1249 C GLY B 14 -6.881 6.143 11.604 1.00 0.00 C ATOM 1250 O GLY B 14 -7.817 5.998 12.387 1.00 0.00 O ATOM 0 H GLY B 14 -4.304 5.290 10.744 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.262 5.623 12.892 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.404 7.340 12.571 1.00 0.00 H new ATOM 1254 N ASN B 15 -7.036 6.115 10.293 1.00 0.00 N ATOM 1255 CA ASN B 15 -8.350 5.946 9.695 1.00 0.00 C ATOM 1256 C ASN B 15 -8.505 4.526 9.171 1.00 0.00 C ATOM 1257 O ASN B 15 -8.331 4.266 7.984 1.00 0.00 O ATOM 1258 CB ASN B 15 -8.555 6.969 8.572 1.00 0.00 C ATOM 1259 CG ASN B 15 -9.984 7.009 8.066 1.00 0.00 C ATOM 1260 OD1 ASN B 15 -10.925 6.676 8.786 1.00 0.00 O ATOM 1261 ND2 ASN B 15 -10.159 7.452 6.830 1.00 0.00 N ATOM 0 H ASN B 15 -6.272 6.207 9.623 1.00 0.00 H new ATOM 0 HA ASN B 15 -9.113 6.117 10.455 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -8.274 7.959 8.933 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -7.888 6.731 7.744 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -11.100 7.527 6.444 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -9.353 7.718 6.265 1.00 0.00 H new ATOM 1268 N SER B 16 -8.833 3.610 10.078 1.00 0.00 N ATOM 1269 CA SER B 16 -8.921 2.189 9.763 1.00 0.00 C ATOM 1270 C SER B 16 -10.034 1.910 8.761 1.00 0.00 C ATOM 1271 O SER B 16 -9.974 0.939 8.004 1.00 0.00 O ATOM 1272 CB SER B 16 -9.160 1.397 11.038 1.00 0.00 C ATOM 1273 OG SER B 16 -9.118 -0.004 10.812 1.00 0.00 O ATOM 0 H SER B 16 -9.045 3.832 11.051 1.00 0.00 H new ATOM 0 HA SER B 16 -7.978 1.881 9.311 1.00 0.00 H new ATOM 0 HB2 SER B 16 -8.407 1.667 11.779 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.130 1.667 11.456 1.00 0.00 H new ATOM 0 HG SER B 16 -9.275 -0.476 11.656 1.00 0.00 H new ATOM 1279 N SER B 17 -11.058 2.746 8.779 1.00 0.00 N ATOM 1280 CA SER B 17 -12.131 2.654 7.806 1.00 0.00 C ATOM 1281 C SER B 17 -12.072 3.874 6.889 1.00 0.00 C ATOM 1282 O SER B 17 -12.784 4.861 7.096 1.00 0.00 O ATOM 1283 CB SER B 17 -13.481 2.559 8.516 1.00 0.00 C ATOM 1284 OG SER B 17 -14.519 2.213 7.612 1.00 0.00 O ATOM 0 H SER B 17 -11.168 3.498 9.459 1.00 0.00 H new ATOM 0 HA SER B 17 -12.012 1.753 7.204 1.00 0.00 H new ATOM 0 HB2 SER B 17 -13.425 1.814 9.310 1.00 0.00 H new ATOM 0 HB3 SER B 17 -13.712 3.513 8.990 1.00 0.00 H new ATOM 0 HG SER B 17 -15.369 2.158 8.096 1.00 0.00 H new ATOM 1290 N PRO B 18 -11.197 3.819 5.876 1.00 0.00 N ATOM 1291 CA PRO B 18 -10.868 4.960 5.029 1.00 0.00 C ATOM 1292 C PRO B 18 -11.901 5.221 3.937 1.00 0.00 C ATOM 1293 O PRO B 18 -12.401 4.294 3.291 1.00 0.00 O ATOM 1294 CB PRO B 18 -9.514 4.560 4.408 1.00 0.00 C ATOM 1295 CG PRO B 18 -9.144 3.258 5.051 1.00 0.00 C ATOM 1296 CD PRO B 18 -10.438 2.640 5.468 1.00 0.00 C ATOM 0 HA PRO B 18 -10.842 5.887 5.602 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -9.595 4.454 3.326 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.756 5.320 4.598 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.608 2.614 4.354 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.489 3.415 5.908 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -10.920 2.103 4.651 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -10.310 1.930 6.285 1.00 0.00 H new ATOM 1304 N SER B 19 -12.220 6.493 3.741 1.00 0.00 N ATOM 1305 CA SER B 19 -13.112 6.906 2.676 1.00 0.00 C ATOM 1306 C SER B 19 -12.351 6.946 1.358 1.00 0.00 C ATOM 1307 O SER B 19 -11.155 7.248 1.323 1.00 0.00 O ATOM 1308 CB SER B 19 -13.699 8.286 2.990 1.00 0.00 C ATOM 1309 OG SER B 19 -14.565 8.728 1.957 1.00 0.00 O ATOM 0 H SER B 19 -11.868 7.260 4.314 1.00 0.00 H new ATOM 0 HA SER B 19 -13.929 6.189 2.593 1.00 0.00 H new ATOM 0 HB2 SER B 19 -14.246 8.245 3.932 1.00 0.00 H new ATOM 0 HB3 SER B 19 -12.891 9.005 3.122 1.00 0.00 H new ATOM 0 HG SER B 19 -14.925 9.610 2.187 1.00 0.00 H new ATOM 1315 N ALA B 20 -13.057 6.637 0.276 1.00 0.00 N ATOM 1316 CA ALA B 20 -12.465 6.600 -1.052 1.00 0.00 C ATOM 1317 C ALA B 20 -11.949 7.979 -1.467 1.00 0.00 C ATOM 1318 O ALA B 20 -11.033 8.093 -2.281 1.00 0.00 O ATOM 1319 CB ALA B 20 -13.486 6.096 -2.057 1.00 0.00 C ATOM 0 H ALA B 20 -14.050 6.407 0.296 1.00 0.00 H new ATOM 0 HA ALA B 20 -11.615 5.918 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -13.037 6.070 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -13.807 5.092 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -14.348 6.763 -2.066 1.00 0.00 H new ATOM 1325 N LYS B 21 -12.544 9.026 -0.906 1.00 0.00 N ATOM 1326 CA LYS B 21 -12.110 10.390 -1.182 1.00 0.00 C ATOM 1327 C LYS B 21 -10.721 10.625 -0.612 1.00 0.00 C ATOM 1328 O LYS B 21 -9.856 11.228 -1.260 1.00 0.00 O ATOM 1329 CB LYS B 21 -13.099 11.393 -0.601 1.00 0.00 C ATOM 1330 CG LYS B 21 -14.520 11.211 -1.109 1.00 0.00 C ATOM 1331 CD LYS B 21 -14.621 11.481 -2.603 1.00 0.00 C ATOM 1332 CE LYS B 21 -16.042 11.320 -3.110 1.00 0.00 C ATOM 1333 NZ LYS B 21 -16.490 9.901 -3.107 1.00 0.00 N ATOM 0 H LYS B 21 -13.328 8.956 -0.257 1.00 0.00 H new ATOM 0 HA LYS B 21 -12.073 10.530 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -13.097 11.305 0.485 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -12.763 12.402 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -14.854 10.195 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -15.188 11.884 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -14.272 12.492 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -13.964 10.798 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -16.715 11.912 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -16.110 11.717 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -16.558 9.556 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -15.804 9.321 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -17.422 9.832 -2.650 1.00 0.00 H new ATOM 1347 N ASP B 22 -10.510 10.122 0.596 1.00 0.00 N ATOM 1348 CA ASP B 22 -9.199 10.177 1.225 1.00 0.00 C ATOM 1349 C ASP B 22 -8.190 9.475 0.342 1.00 0.00 C ATOM 1350 O ASP B 22 -7.104 9.990 0.096 1.00 0.00 O ATOM 1351 CB ASP B 22 -9.209 9.518 2.607 1.00 0.00 C ATOM 1352 CG ASP B 22 -9.958 10.326 3.642 1.00 0.00 C ATOM 1353 OD1 ASP B 22 -11.107 9.970 3.969 1.00 0.00 O ATOM 1354 OD2 ASP B 22 -9.389 11.313 4.148 1.00 0.00 O ATOM 0 H ASP B 22 -11.230 9.671 1.160 1.00 0.00 H new ATOM 0 HA ASP B 22 -8.928 11.225 1.352 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -9.662 8.530 2.529 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -8.182 9.373 2.941 1.00 0.00 H new ATOM 1359 N ILE B 23 -8.579 8.300 -0.142 1.00 0.00 N ATOM 1360 CA ILE B 23 -7.757 7.519 -1.059 1.00 0.00 C ATOM 1361 C ILE B 23 -7.308 8.377 -2.231 1.00 0.00 C ATOM 1362 O ILE B 23 -6.119 8.436 -2.548 1.00 0.00 O ATOM 1363 CB ILE B 23 -8.538 6.299 -1.588 1.00 0.00 C ATOM 1364 CG1 ILE B 23 -9.104 5.494 -0.421 1.00 0.00 C ATOM 1365 CG2 ILE B 23 -7.657 5.422 -2.469 1.00 0.00 C ATOM 1366 CD1 ILE B 23 -8.057 4.950 0.514 1.00 0.00 C ATOM 0 H ILE B 23 -9.471 7.863 0.090 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.882 7.170 -0.511 1.00 0.00 H new ATOM 0 HB ILE B 23 -9.364 6.660 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.788 6.126 0.145 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.690 4.664 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.234 4.570 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -7.301 6.003 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -6.805 5.065 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.540 4.391 1.315 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -7.386 4.290 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.486 5.775 0.940 1.00 0.00 H new ATOM 1378 N LYS B 24 -8.270 9.057 -2.851 1.00 0.00 N ATOM 1379 CA LYS B 24 -7.994 9.956 -3.966 1.00 0.00 C ATOM 1380 C LYS B 24 -6.927 10.981 -3.595 1.00 0.00 C ATOM 1381 O LYS B 24 -5.989 11.208 -4.352 1.00 0.00 O ATOM 1382 CB LYS B 24 -9.268 10.691 -4.386 1.00 0.00 C ATOM 1383 CG LYS B 24 -10.362 9.791 -4.930 1.00 0.00 C ATOM 1384 CD LYS B 24 -11.671 10.549 -5.048 1.00 0.00 C ATOM 1385 CE LYS B 24 -12.788 9.670 -5.576 1.00 0.00 C ATOM 1386 NZ LYS B 24 -12.650 9.397 -7.033 1.00 0.00 N ATOM 0 H LYS B 24 -9.256 9.000 -2.596 1.00 0.00 H new ATOM 0 HA LYS B 24 -7.629 9.350 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.658 11.237 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -9.012 11.431 -5.145 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.070 9.405 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.492 8.931 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.951 10.944 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.537 11.404 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -12.794 8.726 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.747 10.153 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.551 9.034 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -12.400 10.276 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -11.903 8.690 -7.184 1.00 0.00 H new ATOM 1400 N LYS B 25 -7.072 11.589 -2.418 1.00 0.00 N ATOM 1401 CA LYS B 25 -6.140 12.614 -1.965 1.00 0.00 C ATOM 1402 C LYS B 25 -4.724 12.056 -1.790 1.00 0.00 C ATOM 1403 O LYS B 25 -3.730 12.698 -2.159 1.00 0.00 O ATOM 1404 CB LYS B 25 -6.629 13.213 -0.656 1.00 0.00 C ATOM 1405 CG LYS B 25 -7.963 13.935 -0.772 1.00 0.00 C ATOM 1406 CD LYS B 25 -7.955 14.971 -1.878 1.00 0.00 C ATOM 1407 CE LYS B 25 -8.768 14.509 -3.078 1.00 0.00 C ATOM 1408 NZ LYS B 25 -8.609 15.414 -4.245 1.00 0.00 N ATOM 0 H LYS B 25 -7.827 11.387 -1.763 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.098 13.389 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.720 12.419 0.085 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.879 13.912 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -8.753 13.208 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -8.197 14.419 0.176 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -8.361 15.910 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.928 15.168 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.460 13.501 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -9.821 14.456 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.536 15.576 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.212 16.322 -3.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -7.967 14.978 -4.937 1.00 0.00 H new ATOM 1422 N ILE B 26 -4.631 10.861 -1.231 1.00 0.00 N ATOM 1423 CA ILE B 26 -3.343 10.228 -1.013 1.00 0.00 C ATOM 1424 C ILE B 26 -2.711 9.845 -2.352 1.00 0.00 C ATOM 1425 O ILE B 26 -1.497 9.942 -2.535 1.00 0.00 O ATOM 1426 CB ILE B 26 -3.474 8.995 -0.113 1.00 0.00 C ATOM 1427 CG1 ILE B 26 -4.404 9.292 1.061 1.00 0.00 C ATOM 1428 CG2 ILE B 26 -2.104 8.609 0.406 1.00 0.00 C ATOM 1429 CD1 ILE B 26 -4.782 8.065 1.845 1.00 0.00 C ATOM 0 H ILE B 26 -5.432 10.311 -0.920 1.00 0.00 H new ATOM 0 HA ILE B 26 -2.696 10.944 -0.506 1.00 0.00 H new ATOM 0 HB ILE B 26 -3.895 8.173 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -3.920 10.006 1.727 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -5.310 9.769 0.687 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -2.192 7.732 1.047 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -1.448 8.380 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -1.685 9.437 0.979 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -5.444 8.346 2.664 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -5.294 7.359 1.191 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -3.883 7.600 2.248 1.00 0.00 H new ATOM 1441 N LEU B 27 -3.551 9.425 -3.287 1.00 0.00 N ATOM 1442 CA LEU B 27 -3.123 9.184 -4.663 1.00 0.00 C ATOM 1443 C LEU B 27 -2.705 10.493 -5.320 1.00 0.00 C ATOM 1444 O LEU B 27 -1.757 10.518 -6.092 1.00 0.00 O ATOM 1445 CB LEU B 27 -4.249 8.509 -5.452 1.00 0.00 C ATOM 1446 CG LEU B 27 -4.632 7.123 -4.938 1.00 0.00 C ATOM 1447 CD1 LEU B 27 -6.056 6.787 -5.317 1.00 0.00 C ATOM 1448 CD2 LEU B 27 -3.702 6.066 -5.483 1.00 0.00 C ATOM 0 H LEU B 27 -4.540 9.242 -3.119 1.00 0.00 H new ATOM 0 HA LEU B 27 -2.261 8.517 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.130 9.150 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.946 8.426 -6.496 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.546 7.140 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.308 5.795 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -6.732 7.523 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.156 6.800 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.998 5.089 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.755 6.061 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -2.681 6.284 -5.170 1.00 0.00 H new ATOM 1460 N ASP B 28 -3.395 11.580 -4.991 1.00 0.00 N ATOM 1461 CA ASP B 28 -3.019 12.907 -5.484 1.00 0.00 C ATOM 1462 C ASP B 28 -1.613 13.277 -5.030 1.00 0.00 C ATOM 1463 O ASP B 28 -0.878 13.946 -5.756 1.00 0.00 O ATOM 1464 CB ASP B 28 -4.003 13.988 -5.015 1.00 0.00 C ATOM 1465 CG ASP B 28 -5.265 14.058 -5.853 1.00 0.00 C ATOM 1466 OD1 ASP B 28 -5.182 13.870 -7.084 1.00 0.00 O ATOM 1467 OD2 ASP B 28 -6.347 14.337 -5.288 1.00 0.00 O ATOM 0 H ASP B 28 -4.217 11.572 -4.386 1.00 0.00 H new ATOM 0 HA ASP B 28 -3.048 12.859 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -4.275 13.796 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -3.505 14.957 -5.040 1.00 0.00 H new ATOM 1472 N SER B 29 -1.242 12.837 -3.827 1.00 0.00 N ATOM 1473 CA SER B 29 0.082 13.120 -3.286 1.00 0.00 C ATOM 1474 C SER B 29 1.185 12.601 -4.215 1.00 0.00 C ATOM 1475 O SER B 29 2.172 13.295 -4.471 1.00 0.00 O ATOM 1476 CB SER B 29 0.225 12.495 -1.893 1.00 0.00 C ATOM 1477 OG SER B 29 1.451 12.861 -1.282 1.00 0.00 O ATOM 0 H SER B 29 -1.840 12.285 -3.212 1.00 0.00 H new ATOM 0 HA SER B 29 0.191 14.202 -3.207 1.00 0.00 H new ATOM 0 HB2 SER B 29 -0.606 12.813 -1.263 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.167 11.409 -1.973 1.00 0.00 H new ATOM 0 HG SER B 29 1.585 12.327 -0.471 1.00 0.00 H new ATOM 1483 N VAL B 30 1.006 11.395 -4.737 1.00 0.00 N ATOM 1484 CA VAL B 30 2.020 10.766 -5.579 1.00 0.00 C ATOM 1485 C VAL B 30 1.634 10.813 -7.060 1.00 0.00 C ATOM 1486 O VAL B 30 2.392 10.378 -7.926 1.00 0.00 O ATOM 1487 CB VAL B 30 2.272 9.309 -5.139 1.00 0.00 C ATOM 1488 CG1 VAL B 30 2.977 9.287 -3.797 1.00 0.00 C ATOM 1489 CG2 VAL B 30 0.959 8.557 -5.054 1.00 0.00 C ATOM 0 H VAL B 30 0.168 10.831 -4.593 1.00 0.00 H new ATOM 0 HA VAL B 30 2.942 11.335 -5.455 1.00 0.00 H new ATOM 0 HB VAL B 30 2.908 8.821 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL B 30 3.151 8.254 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL B 30 3.932 9.807 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL B 30 2.356 9.784 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL B 30 1.148 7.530 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.308 9.043 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.476 8.557 -6.031 1.00 0.00 H new ATOM 1499 N GLY B 31 0.449 11.341 -7.338 1.00 0.00 N ATOM 1500 CA GLY B 31 0.012 11.547 -8.707 1.00 0.00 C ATOM 1501 C GLY B 31 -0.619 10.314 -9.328 1.00 0.00 C ATOM 1502 O GLY B 31 -0.224 9.897 -10.417 1.00 0.00 O ATOM 0 H GLY B 31 -0.225 11.634 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.707 12.366 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY B 31 0.866 11.853 -9.311 1.00 0.00 H new ATOM 1506 N ILE B 32 -1.589 9.722 -8.639 1.00 0.00 N ATOM 1507 CA ILE B 32 -2.286 8.548 -9.151 1.00 0.00 C ATOM 1508 C ILE B 32 -3.773 8.839 -9.384 1.00 0.00 C ATOM 1509 O ILE B 32 -4.381 9.653 -8.685 1.00 0.00 O ATOM 1510 CB ILE B 32 -2.133 7.364 -8.178 1.00 0.00 C ATOM 1511 CG1 ILE B 32 -0.669 7.086 -7.893 1.00 0.00 C ATOM 1512 CG2 ILE B 32 -2.800 6.111 -8.721 1.00 0.00 C ATOM 1513 CD1 ILE B 32 -0.490 6.158 -6.725 1.00 0.00 C ATOM 0 H ILE B 32 -1.910 10.037 -7.724 1.00 0.00 H new ATOM 0 HA ILE B 32 -1.834 8.288 -10.108 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.629 7.641 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.204 6.650 -8.777 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -0.154 8.025 -7.692 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -2.674 5.294 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.863 6.300 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -2.343 5.838 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.573 5.986 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -0.931 6.605 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.982 5.208 -6.936 1.00 0.00 H new ATOM 1525 N GLU B 33 -4.330 8.180 -10.396 1.00 0.00 N ATOM 1526 CA GLU B 33 -5.739 8.291 -10.744 1.00 0.00 C ATOM 1527 C GLU B 33 -6.603 7.573 -9.715 1.00 0.00 C ATOM 1528 O GLU B 33 -6.119 6.683 -9.013 1.00 0.00 O ATOM 1529 CB GLU B 33 -5.981 7.642 -12.102 1.00 0.00 C ATOM 1530 CG GLU B 33 -4.972 8.020 -13.169 1.00 0.00 C ATOM 1531 CD GLU B 33 -4.882 6.964 -14.246 1.00 0.00 C ATOM 1532 OE1 GLU B 33 -4.221 5.929 -14.009 1.00 0.00 O ATOM 1533 OE2 GLU B 33 -5.483 7.151 -15.323 1.00 0.00 O ATOM 0 H GLU B 33 -3.808 7.548 -11.003 1.00 0.00 H new ATOM 0 HA GLU B 33 -6.002 9.348 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -5.973 6.559 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -6.977 7.916 -12.449 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.254 8.974 -13.616 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -3.992 8.159 -12.712 1.00 0.00 H new ATOM 1540 N ALA B 34 -7.883 7.925 -9.649 1.00 0.00 N ATOM 1541 CA ALA B 34 -8.799 7.234 -8.754 1.00 0.00 C ATOM 1542 C ALA B 34 -10.253 7.404 -9.150 1.00 0.00 C ATOM 1543 O ALA B 34 -10.802 8.508 -9.136 1.00 0.00 O ATOM 1544 CB ALA B 34 -8.594 7.672 -7.314 1.00 0.00 C ATOM 0 H ALA B 34 -8.304 8.675 -10.198 1.00 0.00 H new ATOM 0 HA ALA B 34 -8.563 6.173 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -9.292 7.139 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.572 7.447 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.770 8.745 -7.231 1.00 0.00 H new ATOM 1550 N ASP B 35 -10.869 6.280 -9.488 1.00 0.00 N ATOM 1551 CA ASP B 35 -12.304 6.208 -9.709 1.00 0.00 C ATOM 1552 C ASP B 35 -13.005 6.132 -8.352 1.00 0.00 C ATOM 1553 O ASP B 35 -12.339 6.119 -7.318 1.00 0.00 O ATOM 1554 CB ASP B 35 -12.628 4.977 -10.573 1.00 0.00 C ATOM 1555 CG ASP B 35 -14.104 4.829 -10.872 1.00 0.00 C ATOM 1556 OD1 ASP B 35 -14.676 3.770 -10.546 1.00 0.00 O ATOM 1557 OD2 ASP B 35 -14.706 5.786 -11.401 1.00 0.00 O ATOM 0 H ASP B 35 -10.386 5.391 -9.617 1.00 0.00 H new ATOM 0 HA ASP B 35 -12.656 7.094 -10.238 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -12.079 5.046 -11.512 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -12.276 4.080 -10.063 1.00 0.00 H new ATOM 1562 N ASP B 36 -14.326 6.119 -8.338 1.00 0.00 N ATOM 1563 CA ASP B 36 -15.060 5.965 -7.089 1.00 0.00 C ATOM 1564 C ASP B 36 -15.572 4.548 -6.941 1.00 0.00 C ATOM 1565 O ASP B 36 -15.388 3.920 -5.897 1.00 0.00 O ATOM 1566 CB ASP B 36 -16.228 6.946 -7.005 1.00 0.00 C ATOM 1567 CG ASP B 36 -15.779 8.341 -6.627 1.00 0.00 C ATOM 1568 OD1 ASP B 36 -15.949 8.733 -5.449 1.00 0.00 O ATOM 1569 OD2 ASP B 36 -15.235 9.050 -7.498 1.00 0.00 O ATOM 0 H ASP B 36 -14.911 6.212 -9.168 1.00 0.00 H new ATOM 0 HA ASP B 36 -14.368 6.182 -6.275 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -16.741 6.980 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -16.949 6.587 -6.271 1.00 0.00 H new ATOM 1574 N ASP B 37 -16.191 4.039 -7.998 1.00 0.00 N ATOM 1575 CA ASP B 37 -16.781 2.709 -7.963 1.00 0.00 C ATOM 1576 C ASP B 37 -15.699 1.658 -7.775 1.00 0.00 C ATOM 1577 O ASP B 37 -15.687 0.949 -6.772 1.00 0.00 O ATOM 1578 CB ASP B 37 -17.568 2.419 -9.245 1.00 0.00 C ATOM 1579 CG ASP B 37 -18.288 1.083 -9.199 1.00 0.00 C ATOM 1580 OD1 ASP B 37 -17.647 0.036 -9.433 1.00 0.00 O ATOM 1581 OD2 ASP B 37 -19.510 1.070 -8.939 1.00 0.00 O ATOM 0 H ASP B 37 -16.297 4.526 -8.888 1.00 0.00 H new ATOM 0 HA ASP B 37 -17.471 2.671 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -18.296 3.214 -9.408 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -16.887 2.431 -10.096 1.00 0.00 H new ATOM 1586 N ARG B 38 -14.771 1.596 -8.728 1.00 0.00 N ATOM 1587 CA ARG B 38 -13.680 0.630 -8.689 1.00 0.00 C ATOM 1588 C ARG B 38 -12.910 0.736 -7.377 1.00 0.00 C ATOM 1589 O ARG B 38 -12.533 -0.273 -6.781 1.00 0.00 O ATOM 1590 CB ARG B 38 -12.732 0.863 -9.867 1.00 0.00 C ATOM 1591 CG ARG B 38 -11.430 0.095 -9.751 1.00 0.00 C ATOM 1592 CD ARG B 38 -11.603 -1.387 -10.035 1.00 0.00 C ATOM 1593 NE ARG B 38 -11.755 -1.654 -11.466 1.00 0.00 N ATOM 1594 CZ ARG B 38 -11.403 -2.796 -12.056 1.00 0.00 C ATOM 1595 NH1 ARG B 38 -10.940 -3.806 -11.328 1.00 0.00 N ATOM 1596 NH2 ARG B 38 -11.515 -2.929 -13.372 1.00 0.00 N ATOM 0 H ARG B 38 -14.755 2.210 -9.542 1.00 0.00 H new ATOM 0 HA ARG B 38 -14.106 -0.371 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -13.234 0.575 -10.791 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -12.512 1.928 -9.942 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -10.702 0.513 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -11.023 0.225 -8.748 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -10.740 -1.933 -9.653 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -12.477 -1.759 -9.501 1.00 0.00 H new ATOM 0 HE ARG B 38 -12.156 -0.919 -12.049 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.854 -3.708 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -10.671 -4.680 -11.781 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -11.871 -2.156 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.245 -3.804 -13.821 1.00 0.00 H new ATOM 1610 N LEU B 39 -12.698 1.964 -6.938 1.00 0.00 N ATOM 1611 CA LEU B 39 -11.979 2.235 -5.705 1.00 0.00 C ATOM 1612 C LEU B 39 -12.699 1.622 -4.510 1.00 0.00 C ATOM 1613 O LEU B 39 -12.109 0.841 -3.763 1.00 0.00 O ATOM 1614 CB LEU B 39 -11.809 3.751 -5.555 1.00 0.00 C ATOM 1615 CG LEU B 39 -11.399 4.280 -4.178 1.00 0.00 C ATOM 1616 CD1 LEU B 39 -10.292 3.445 -3.563 1.00 0.00 C ATOM 1617 CD2 LEU B 39 -10.955 5.726 -4.306 1.00 0.00 C ATOM 0 H LEU B 39 -13.019 2.801 -7.425 1.00 0.00 H new ATOM 0 HA LEU B 39 -10.992 1.774 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -11.063 4.080 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -12.751 4.225 -5.831 1.00 0.00 H new ATOM 0 HG LEU B 39 -12.263 4.215 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -10.029 3.852 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -10.634 2.416 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -9.417 3.466 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -10.663 6.105 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -10.106 5.787 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -11.777 6.326 -4.696 1.00 0.00 H new ATOM 1629 N ASN B 40 -13.972 1.944 -4.349 1.00 0.00 N ATOM 1630 CA ASN B 40 -14.750 1.402 -3.245 1.00 0.00 C ATOM 1631 C ASN B 40 -14.831 -0.119 -3.346 1.00 0.00 C ATOM 1632 O ASN B 40 -14.903 -0.805 -2.335 1.00 0.00 O ATOM 1633 CB ASN B 40 -16.151 2.013 -3.218 1.00 0.00 C ATOM 1634 CG ASN B 40 -16.998 1.490 -2.071 1.00 0.00 C ATOM 1635 OD1 ASN B 40 -17.719 0.503 -2.214 1.00 0.00 O ATOM 1636 ND2 ASN B 40 -16.923 2.154 -0.927 1.00 0.00 N ATOM 0 H ASN B 40 -14.487 2.574 -4.964 1.00 0.00 H new ATOM 0 HA ASN B 40 -14.248 1.661 -2.313 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -16.068 3.097 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -16.654 1.800 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -17.475 1.851 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -16.313 2.968 -0.849 1.00 0.00 H new ATOM 1643 N LYS B 41 -14.794 -0.641 -4.570 1.00 0.00 N ATOM 1644 CA LYS B 41 -14.799 -2.086 -4.780 1.00 0.00 C ATOM 1645 C LYS B 41 -13.519 -2.712 -4.247 1.00 0.00 C ATOM 1646 O LYS B 41 -13.564 -3.714 -3.535 1.00 0.00 O ATOM 1647 CB LYS B 41 -14.970 -2.431 -6.263 1.00 0.00 C ATOM 1648 CG LYS B 41 -16.267 -1.910 -6.861 1.00 0.00 C ATOM 1649 CD LYS B 41 -17.477 -2.391 -6.077 1.00 0.00 C ATOM 1650 CE LYS B 41 -18.733 -1.614 -6.448 1.00 0.00 C ATOM 1651 NZ LYS B 41 -19.060 -1.719 -7.894 1.00 0.00 N ATOM 0 H LYS B 41 -14.760 -0.088 -5.427 1.00 0.00 H new ATOM 0 HA LYS B 41 -15.648 -2.495 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -14.130 -2.020 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -14.933 -3.514 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -16.251 -0.820 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -16.349 -2.240 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -17.636 -3.452 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -17.285 -2.284 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -19.573 -1.985 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -18.599 -0.565 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -19.932 -1.187 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -18.279 -1.325 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -19.199 -2.718 -8.147 1.00 0.00 H new ATOM 1665 N VAL B 42 -12.378 -2.119 -4.590 1.00 0.00 N ATOM 1666 CA VAL B 42 -11.098 -2.588 -4.085 1.00 0.00 C ATOM 1667 C VAL B 42 -11.054 -2.481 -2.561 1.00 0.00 C ATOM 1668 O VAL B 42 -10.611 -3.398 -1.867 1.00 0.00 O ATOM 1669 CB VAL B 42 -9.940 -1.782 -4.697 1.00 0.00 C ATOM 1670 CG1 VAL B 42 -8.615 -2.230 -4.108 1.00 0.00 C ATOM 1671 CG2 VAL B 42 -9.935 -1.934 -6.212 1.00 0.00 C ATOM 0 H VAL B 42 -12.317 -1.315 -5.214 1.00 0.00 H new ATOM 0 HA VAL B 42 -10.985 -3.633 -4.372 1.00 0.00 H new ATOM 0 HB VAL B 42 -10.081 -0.728 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL B 42 -7.805 -1.650 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL B 42 -8.625 -2.074 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL B 42 -8.462 -3.288 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL B 42 -9.110 -1.358 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL B 42 -9.813 -2.986 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL B 42 -10.878 -1.567 -6.618 1.00 0.00 H new ATOM 1681 N ILE B 43 -11.537 -1.356 -2.055 1.00 0.00 N ATOM 1682 CA ILE B 43 -11.648 -1.123 -0.630 1.00 0.00 C ATOM 1683 C ILE B 43 -12.535 -2.172 0.030 1.00 0.00 C ATOM 1684 O ILE B 43 -12.202 -2.727 1.079 1.00 0.00 O ATOM 1685 CB ILE B 43 -12.206 0.270 -0.397 1.00 0.00 C ATOM 1686 CG1 ILE B 43 -11.136 1.258 -0.851 1.00 0.00 C ATOM 1687 CG2 ILE B 43 -12.586 0.469 1.063 1.00 0.00 C ATOM 1688 CD1 ILE B 43 -11.069 2.486 -0.008 1.00 0.00 C ATOM 0 H ILE B 43 -11.864 -0.578 -2.628 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.659 -1.200 -0.179 1.00 0.00 H new ATOM 0 HB ILE B 43 -13.123 0.425 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -10.165 0.763 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -11.332 1.545 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -12.983 1.475 1.202 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -13.344 -0.262 1.345 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -11.704 0.337 1.690 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -10.287 3.145 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -12.028 3.003 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -10.843 2.209 1.022 1.00 0.00 H new ATOM 1700 N SER B 44 -13.655 -2.447 -0.615 1.00 0.00 N ATOM 1701 CA SER B 44 -14.617 -3.416 -0.124 1.00 0.00 C ATOM 1702 C SER B 44 -14.026 -4.826 -0.151 1.00 0.00 C ATOM 1703 O SER B 44 -14.293 -5.634 0.740 1.00 0.00 O ATOM 1704 CB SER B 44 -15.892 -3.335 -0.966 1.00 0.00 C ATOM 1705 OG SER B 44 -16.961 -4.054 -0.372 1.00 0.00 O ATOM 0 H SER B 44 -13.923 -2.004 -1.494 1.00 0.00 H new ATOM 0 HA SER B 44 -14.864 -3.186 0.912 1.00 0.00 H new ATOM 0 HB2 SER B 44 -16.180 -2.291 -1.090 1.00 0.00 H new ATOM 0 HB3 SER B 44 -15.696 -3.732 -1.962 1.00 0.00 H new ATOM 0 HG SER B 44 -17.759 -3.979 -0.936 1.00 0.00 H new ATOM 1711 N GLU B 45 -13.207 -5.112 -1.166 1.00 0.00 N ATOM 1712 CA GLU B 45 -12.469 -6.370 -1.223 1.00 0.00 C ATOM 1713 C GLU B 45 -11.601 -6.515 0.017 1.00 0.00 C ATOM 1714 O GLU B 45 -11.679 -7.511 0.733 1.00 0.00 O ATOM 1715 CB GLU B 45 -11.584 -6.421 -2.473 1.00 0.00 C ATOM 1716 CG GLU B 45 -12.307 -6.852 -3.736 1.00 0.00 C ATOM 1717 CD GLU B 45 -12.566 -8.344 -3.776 1.00 0.00 C ATOM 1718 OE1 GLU B 45 -11.588 -9.123 -3.809 1.00 0.00 O ATOM 1719 OE2 GLU B 45 -13.746 -8.748 -3.802 1.00 0.00 O ATOM 0 H GLU B 45 -13.040 -4.489 -1.956 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.187 -7.189 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -11.150 -5.435 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -10.757 -7.107 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -13.256 -6.320 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -11.715 -6.566 -4.605 1.00 0.00 H new ATOM 1726 N LEU B 46 -10.789 -5.495 0.268 1.00 0.00 N ATOM 1727 CA LEU B 46 -9.894 -5.474 1.420 1.00 0.00 C ATOM 1728 C LEU B 46 -10.660 -5.523 2.740 1.00 0.00 C ATOM 1729 O LEU B 46 -10.158 -6.026 3.739 1.00 0.00 O ATOM 1730 CB LEU B 46 -9.040 -4.217 1.372 1.00 0.00 C ATOM 1731 CG LEU B 46 -8.004 -4.196 0.258 1.00 0.00 C ATOM 1732 CD1 LEU B 46 -7.542 -2.784 0.003 1.00 0.00 C ATOM 1733 CD2 LEU B 46 -6.817 -5.076 0.615 1.00 0.00 C ATOM 0 H LEU B 46 -10.732 -4.662 -0.318 1.00 0.00 H new ATOM 0 HA LEU B 46 -9.264 -6.362 1.371 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -9.695 -3.353 1.257 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -8.528 -4.105 2.328 1.00 0.00 H new ATOM 0 HG LEU B 46 -8.466 -4.587 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -6.801 -2.782 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -8.393 -2.170 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -7.097 -2.377 0.911 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.087 -5.048 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.356 -4.710 1.533 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.156 -6.101 0.763 1.00 0.00 H new ATOM 1745 N ASN B 47 -11.870 -4.983 2.738 1.00 0.00 N ATOM 1746 CA ASN B 47 -12.696 -4.942 3.939 1.00 0.00 C ATOM 1747 C ASN B 47 -13.337 -6.303 4.215 1.00 0.00 C ATOM 1748 O ASN B 47 -13.432 -6.731 5.364 1.00 0.00 O ATOM 1749 CB ASN B 47 -13.778 -3.867 3.790 1.00 0.00 C ATOM 1750 CG ASN B 47 -14.642 -3.705 5.030 1.00 0.00 C ATOM 1751 OD1 ASN B 47 -15.826 -3.384 4.929 1.00 0.00 O ATOM 1752 ND2 ASN B 47 -14.062 -3.906 6.206 1.00 0.00 N ATOM 0 H ASN B 47 -12.304 -4.565 1.915 1.00 0.00 H new ATOM 0 HA ASN B 47 -12.057 -4.694 4.786 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -13.303 -2.913 3.560 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -14.415 -4.118 2.942 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -14.600 -3.795 7.066 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -13.078 -4.171 6.251 1.00 0.00 H new ATOM 1759 N GLY B 48 -13.777 -6.977 3.155 1.00 0.00 N ATOM 1760 CA GLY B 48 -14.416 -8.273 3.311 1.00 0.00 C ATOM 1761 C GLY B 48 -13.409 -9.396 3.466 1.00 0.00 C ATOM 1762 O GLY B 48 -13.726 -10.464 3.993 1.00 0.00 O ATOM 0 H GLY B 48 -13.703 -6.649 2.192 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -15.069 -8.251 4.183 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -15.047 -8.471 2.445 1.00 0.00 H new ATOM 1766 N LYS B 49 -12.199 -9.159 2.993 1.00 0.00 N ATOM 1767 CA LYS B 49 -11.128 -10.136 3.092 1.00 0.00 C ATOM 1768 C LYS B 49 -10.033 -9.612 4.008 1.00 0.00 C ATOM 1769 O LYS B 49 -10.239 -8.660 4.759 1.00 0.00 O ATOM 1770 CB LYS B 49 -10.538 -10.423 1.712 1.00 0.00 C ATOM 1771 CG LYS B 49 -11.536 -10.988 0.715 1.00 0.00 C ATOM 1772 CD LYS B 49 -10.894 -11.152 -0.649 1.00 0.00 C ATOM 1773 CE LYS B 49 -11.854 -11.742 -1.667 1.00 0.00 C ATOM 1774 NZ LYS B 49 -11.292 -11.700 -3.044 1.00 0.00 N ATOM 0 H LYS B 49 -11.931 -8.290 2.532 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.539 -11.058 3.502 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.120 -9.501 1.308 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -9.712 -11.126 1.821 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.905 -11.951 1.068 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -12.398 -10.325 0.640 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.543 -10.183 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.019 -11.796 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -12.080 -12.774 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.795 -11.192 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -11.834 -12.339 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.351 -10.730 -3.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.297 -12.002 -3.022 1.00 0.00 H new ATOM 1788 N ASN B 50 -8.875 -10.245 3.952 1.00 0.00 N ATOM 1789 CA ASN B 50 -7.694 -9.719 4.613 1.00 0.00 C ATOM 1790 C ASN B 50 -6.919 -8.869 3.621 1.00 0.00 C ATOM 1791 O ASN B 50 -6.937 -9.167 2.422 1.00 0.00 O ATOM 1792 CB ASN B 50 -6.802 -10.847 5.145 1.00 0.00 C ATOM 1793 CG ASN B 50 -7.407 -11.582 6.325 1.00 0.00 C ATOM 1794 OD1 ASN B 50 -8.151 -11.008 7.119 1.00 0.00 O ATOM 1795 ND2 ASN B 50 -7.085 -12.860 6.457 1.00 0.00 N ATOM 0 H ASN B 50 -8.727 -11.124 3.456 1.00 0.00 H new ATOM 0 HA ASN B 50 -8.006 -9.116 5.466 1.00 0.00 H new ATOM 0 HB2 ASN B 50 -6.610 -11.559 4.342 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -5.839 -10.431 5.440 1.00 0.00 H new ATOM 0 HD21 ASN B 50 -7.457 -13.402 7.237 1.00 0.00 H new ATOM 0 HD22 ASN B 50 -6.465 -13.302 5.779 1.00 0.00 H new ATOM 1802 N ILE B 51 -6.260 -7.818 4.088 1.00 0.00 N ATOM 1803 CA ILE B 51 -5.521 -6.945 3.183 1.00 0.00 C ATOM 1804 C ILE B 51 -4.484 -7.744 2.409 1.00 0.00 C ATOM 1805 O ILE B 51 -4.402 -7.651 1.185 1.00 0.00 O ATOM 1806 CB ILE B 51 -4.837 -5.767 3.904 1.00 0.00 C ATOM 1807 CG1 ILE B 51 -5.797 -4.599 4.140 1.00 0.00 C ATOM 1808 CG2 ILE B 51 -3.637 -5.268 3.125 1.00 0.00 C ATOM 1809 CD1 ILE B 51 -7.100 -4.967 4.809 1.00 0.00 C ATOM 0 H ILE B 51 -6.220 -7.551 5.072 1.00 0.00 H new ATOM 0 HA ILE B 51 -6.254 -6.519 2.497 1.00 0.00 H new ATOM 0 HB ILE B 51 -4.511 -6.150 4.871 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.291 -3.851 4.751 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -6.018 -4.131 3.181 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -3.176 -4.437 3.659 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -2.913 -6.075 3.016 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -3.957 -4.932 2.139 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -7.711 -4.073 4.932 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -7.634 -5.689 4.192 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -6.896 -5.405 5.786 1.00 0.00 H new ATOM 1821 N GLU B 52 -3.732 -8.565 3.133 1.00 0.00 N ATOM 1822 CA GLU B 52 -2.661 -9.356 2.545 1.00 0.00 C ATOM 1823 C GLU B 52 -3.215 -10.266 1.463 1.00 0.00 C ATOM 1824 O GLU B 52 -2.611 -10.434 0.405 1.00 0.00 O ATOM 1825 CB GLU B 52 -1.964 -10.218 3.601 1.00 0.00 C ATOM 1826 CG GLU B 52 -1.990 -9.649 5.007 1.00 0.00 C ATOM 1827 CD GLU B 52 -3.260 -10.011 5.744 1.00 0.00 C ATOM 1828 OE1 GLU B 52 -3.295 -11.095 6.363 1.00 0.00 O ATOM 1829 OE2 GLU B 52 -4.224 -9.224 5.685 1.00 0.00 O ATOM 0 H GLU B 52 -3.847 -8.700 4.137 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.937 -8.662 2.118 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -2.433 -11.202 3.614 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.926 -10.364 3.303 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -1.130 -10.021 5.564 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -1.895 -8.564 4.960 1.00 0.00 H new ATOM 1836 N ASP B 53 -4.375 -10.841 1.743 1.00 0.00 N ATOM 1837 CA ASP B 53 -5.040 -11.744 0.814 1.00 0.00 C ATOM 1838 C ASP B 53 -5.411 -11.001 -0.462 1.00 0.00 C ATOM 1839 O ASP B 53 -4.978 -11.368 -1.553 1.00 0.00 O ATOM 1840 CB ASP B 53 -6.291 -12.334 1.477 1.00 0.00 C ATOM 1841 CG ASP B 53 -6.994 -13.367 0.618 1.00 0.00 C ATOM 1842 OD1 ASP B 53 -6.455 -14.486 0.460 1.00 0.00 O ATOM 1843 OD2 ASP B 53 -8.106 -13.083 0.138 1.00 0.00 O ATOM 0 H ASP B 53 -4.881 -10.696 2.617 1.00 0.00 H new ATOM 0 HA ASP B 53 -4.363 -12.557 0.553 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -6.010 -12.791 2.426 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -6.987 -11.527 1.706 1.00 0.00 H new ATOM 1848 N VAL B 54 -6.173 -9.926 -0.306 1.00 0.00 N ATOM 1849 CA VAL B 54 -6.592 -9.103 -1.430 1.00 0.00 C ATOM 1850 C VAL B 54 -5.388 -8.565 -2.201 1.00 0.00 C ATOM 1851 O VAL B 54 -5.395 -8.532 -3.431 1.00 0.00 O ATOM 1852 CB VAL B 54 -7.485 -7.943 -0.948 1.00 0.00 C ATOM 1853 CG1 VAL B 54 -7.753 -6.937 -2.054 1.00 0.00 C ATOM 1854 CG2 VAL B 54 -8.786 -8.489 -0.412 1.00 0.00 C ATOM 0 H VAL B 54 -6.516 -9.602 0.599 1.00 0.00 H new ATOM 0 HA VAL B 54 -7.171 -9.731 -2.107 1.00 0.00 H new ATOM 0 HB VAL B 54 -6.953 -7.419 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -8.386 -6.136 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -6.809 -6.518 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -8.257 -7.434 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -9.414 -7.665 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -9.302 -9.038 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -8.583 -9.159 0.424 1.00 0.00 H new ATOM 1864 N ILE B 55 -4.354 -8.163 -1.474 1.00 0.00 N ATOM 1865 CA ILE B 55 -3.113 -7.719 -2.086 1.00 0.00 C ATOM 1866 C ILE B 55 -2.479 -8.813 -2.916 1.00 0.00 C ATOM 1867 O ILE B 55 -2.237 -8.645 -4.111 1.00 0.00 O ATOM 1868 CB ILE B 55 -2.110 -7.232 -1.022 1.00 0.00 C ATOM 1869 CG1 ILE B 55 -2.621 -5.875 -0.503 1.00 0.00 C ATOM 1870 CG2 ILE B 55 -0.713 -7.158 -1.625 1.00 0.00 C ATOM 1871 CD1 ILE B 55 -1.699 -5.139 0.424 1.00 0.00 C ATOM 0 H ILE B 55 -4.353 -8.136 -0.454 1.00 0.00 H new ATOM 0 HA ILE B 55 -3.365 -6.887 -2.743 1.00 0.00 H new ATOM 0 HB ILE B 55 -2.036 -7.921 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.830 -5.235 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.568 -6.038 0.011 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -0.008 -6.813 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.415 -8.146 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -0.715 -6.461 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -2.161 -4.199 0.726 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -1.508 -5.749 1.307 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -0.758 -4.934 -0.086 1.00 0.00 H new ATOM 1883 N ALA B 56 -2.237 -9.941 -2.290 1.00 0.00 N ATOM 1884 CA ALA B 56 -1.505 -11.010 -2.923 1.00 0.00 C ATOM 1885 C ALA B 56 -2.313 -11.657 -4.048 1.00 0.00 C ATOM 1886 O ALA B 56 -1.771 -12.399 -4.870 1.00 0.00 O ATOM 1887 CB ALA B 56 -1.075 -11.999 -1.866 1.00 0.00 C ATOM 0 H ALA B 56 -2.539 -10.142 -1.337 1.00 0.00 H new ATOM 0 HA ALA B 56 -0.612 -10.610 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -0.520 -12.813 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -0.439 -11.498 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -1.955 -12.401 -1.364 1.00 0.00 H new ATOM 1893 N GLN B 57 -3.607 -11.363 -4.082 1.00 0.00 N ATOM 1894 CA GLN B 57 -4.451 -11.754 -5.208 1.00 0.00 C ATOM 1895 C GLN B 57 -4.457 -10.679 -6.300 1.00 0.00 C ATOM 1896 O GLN B 57 -4.210 -10.971 -7.469 1.00 0.00 O ATOM 1897 CB GLN B 57 -5.890 -12.000 -4.751 1.00 0.00 C ATOM 1898 CG GLN B 57 -6.038 -13.123 -3.742 1.00 0.00 C ATOM 1899 CD GLN B 57 -7.480 -13.336 -3.319 1.00 0.00 C ATOM 1900 OE1 GLN B 57 -8.292 -12.406 -3.316 1.00 0.00 O ATOM 1901 NE2 GLN B 57 -7.814 -14.566 -2.967 1.00 0.00 N ATOM 0 H GLN B 57 -4.096 -10.856 -3.344 1.00 0.00 H new ATOM 0 HA GLN B 57 -4.033 -12.675 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -6.283 -11.081 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -6.503 -12.227 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -5.648 -14.046 -4.171 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -5.434 -12.900 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -7.115 -15.308 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -8.771 -14.772 -2.680 1.00 0.00 H new ATOM 1910 N GLY B 58 -4.716 -9.433 -5.906 1.00 0.00 N ATOM 1911 CA GLY B 58 -5.008 -8.386 -6.873 1.00 0.00 C ATOM 1912 C GLY B 58 -3.816 -7.528 -7.272 1.00 0.00 C ATOM 1913 O GLY B 58 -3.993 -6.495 -7.923 1.00 0.00 O ATOM 0 H GLY B 58 -4.729 -9.130 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -5.422 -8.846 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -5.782 -7.738 -6.461 1.00 0.00 H new ATOM 1917 N ILE B 59 -2.615 -7.920 -6.876 1.00 0.00 N ATOM 1918 CA ILE B 59 -1.411 -7.225 -7.321 1.00 0.00 C ATOM 1919 C ILE B 59 -0.701 -8.025 -8.409 1.00 0.00 C ATOM 1920 O ILE B 59 -0.634 -7.599 -9.565 1.00 0.00 O ATOM 1921 CB ILE B 59 -0.457 -6.926 -6.166 1.00 0.00 C ATOM 1922 CG1 ILE B 59 -1.163 -5.968 -5.217 1.00 0.00 C ATOM 1923 CG2 ILE B 59 0.841 -6.323 -6.691 1.00 0.00 C ATOM 1924 CD1 ILE B 59 -0.232 -5.254 -4.307 1.00 0.00 C ATOM 0 H ILE B 59 -2.445 -8.709 -6.252 1.00 0.00 H new ATOM 0 HA ILE B 59 -1.726 -6.267 -7.735 1.00 0.00 H new ATOM 0 HB ILE B 59 -0.195 -7.843 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE B 59 -1.723 -5.237 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -1.887 -6.524 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE B 59 1.510 -6.116 -5.856 1.00 0.00 H new ATOM 0 HG22 ILE B 59 1.319 -7.026 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE B 59 0.623 -5.395 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -0.798 -4.587 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE B 59 0.310 -5.979 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE B 59 0.477 -4.671 -4.896 1.00 0.00 H new