USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 947 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 LYS NZ :NH3+ 174:sc= 0.553 (180deg=-0.0811) USER MOD Set 1.2: A 100 ASN : amide:sc= 0.66 K(o=1.2,f=-6.8!) USER MOD Set 2.1: A 70 SER OG : rot 83:sc= 0.561 USER MOD Set 2.2: A 93 LYS NZ :NH3+ -171:sc= 1.94 (180deg=1.19) USER MOD Set 3.1: A 58 LYS NZ :NH3+ 171:sc= 0.173 (180deg=-0.435) USER MOD Set 3.2: A 67 GLN : amide:sc= -0.412 K(o=-0.24,f=-0.82) USER MOD Set 4.1: A 14 LYS NZ :NH3+ -154:sc= 1.12 (180deg=0.717) USER MOD Set 4.2: A 44 SER OG : rot 135:sc= 0.843 USER MOD Single : A 1 MET CE :methyl -133:sc= 0 (180deg=-0.359) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.104 (180deg=0) USER MOD Single : A 6 SER OG : rot 80:sc= -0.393 USER MOD Single : A 8 SER OG : rot -99:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= 0.0903 (180deg=-0.21) USER MOD Single : A 19 SER OG : rot 84:sc= 0.177 USER MOD Single : A 20 ASN : amide:sc= 0.1 K(o=0.1,f=-0.91) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.27) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0777 (180deg=-0.416) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0967 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.648 (180deg=-2.61!) USER MOD Single : A 38 SER OG : rot 85:sc= 1.19 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.58 K(o=0.58,f=-0.043) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 145:sc= -1.85! (180deg=-4.08!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= -0.0235 (180deg=-0.156) USER MOD Single : A 92 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 110 SER OG : rot 20:sc= 0.866 USER MOD Single : A 111 SER OG : rot 159:sc= 1.23 USER MOD Single : A 114 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0.572 K(o=0.57,f=-4.3!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.175 -10.968 -9.928 1.00 0.00 N ATOM 2 CA MET A 1 0.900 -11.140 -8.506 1.00 0.00 C ATOM 3 C MET A 1 -0.321 -10.331 -8.175 1.00 0.00 C ATOM 4 O MET A 1 -0.535 -9.258 -8.760 1.00 0.00 O ATOM 5 CB MET A 1 2.106 -10.669 -7.666 1.00 0.00 C ATOM 6 CG MET A 1 2.022 -10.997 -6.178 1.00 0.00 C ATOM 7 SD MET A 1 3.481 -10.453 -5.259 1.00 0.00 S ATOM 8 CE MET A 1 3.107 -11.095 -3.625 1.00 0.00 C ATOM 0 H1 MET A 1 2.203 -10.968 -10.085 1.00 0.00 H new ATOM 0 H2 MET A 1 0.743 -11.749 -10.462 1.00 0.00 H new ATOM 0 H3 MET A 1 0.775 -10.064 -10.252 1.00 0.00 H new ATOM 0 HA MET A 1 0.729 -12.192 -8.276 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.011 -11.121 -8.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.210 -9.590 -7.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.135 -10.525 -5.756 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.900 -12.073 -6.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.286 -10.320 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.062 -11.402 -3.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.746 -11.953 -3.416 1.00 0.00 H new ATOM 20 N PHE A 2 -1.129 -10.824 -7.279 1.00 0.00 N ATOM 21 CA PHE A 2 -2.323 -10.130 -6.900 1.00 0.00 C ATOM 22 C PHE A 2 -2.002 -9.162 -5.787 1.00 0.00 C ATOM 23 O PHE A 2 -1.027 -9.355 -5.050 1.00 0.00 O ATOM 24 CB PHE A 2 -3.414 -11.115 -6.443 1.00 0.00 C ATOM 25 CG PHE A 2 -3.826 -12.119 -7.484 1.00 0.00 C ATOM 26 CD1 PHE A 2 -4.734 -11.782 -8.465 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.307 -13.402 -7.472 1.00 0.00 C ATOM 28 CE1 PHE A 2 -5.115 -12.700 -9.421 1.00 0.00 C ATOM 29 CE2 PHE A 2 -3.685 -14.324 -8.423 1.00 0.00 C ATOM 30 CZ PHE A 2 -4.590 -13.974 -9.400 1.00 0.00 C ATOM 0 H PHE A 2 -0.979 -11.710 -6.796 1.00 0.00 H new ATOM 0 HA PHE A 2 -2.703 -9.587 -7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.057 -11.649 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.293 -10.547 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.152 -10.786 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.597 -13.684 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -5.825 -12.421 -10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.272 -15.322 -8.402 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.887 -14.695 -10.147 1.00 0.00 H new ATOM 40 N ALA A 3 -2.772 -8.127 -5.687 1.00 0.00 N ATOM 41 CA ALA A 3 -2.616 -7.148 -4.650 1.00 0.00 C ATOM 42 C ALA A 3 -3.966 -6.889 -4.030 1.00 0.00 C ATOM 43 O ALA A 3 -4.828 -6.277 -4.643 1.00 0.00 O ATOM 44 CB ALA A 3 -2.012 -5.864 -5.201 1.00 0.00 C ATOM 0 H ALA A 3 -3.539 -7.931 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.931 -7.524 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.904 -5.138 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.033 -6.077 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.666 -5.456 -5.972 1.00 0.00 H new ATOM 50 N VAL A 4 -4.151 -7.363 -2.841 1.00 0.00 N ATOM 51 CA VAL A 4 -5.419 -7.250 -2.178 1.00 0.00 C ATOM 52 C VAL A 4 -5.422 -5.986 -1.342 1.00 0.00 C ATOM 53 O VAL A 4 -4.463 -5.698 -0.622 1.00 0.00 O ATOM 54 CB VAL A 4 -5.716 -8.489 -1.283 1.00 0.00 C ATOM 55 CG1 VAL A 4 -7.100 -8.392 -0.648 1.00 0.00 C ATOM 56 CG2 VAL A 4 -5.600 -9.778 -2.084 1.00 0.00 C ATOM 0 H VAL A 4 -3.431 -7.840 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.204 -7.204 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.972 -8.503 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.279 -9.271 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.155 -7.496 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.857 -8.340 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.812 -10.629 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.315 -9.761 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.590 -9.869 -2.483 1.00 0.00 H new ATOM 66 N ILE A 5 -6.459 -5.226 -1.475 1.00 0.00 N ATOM 67 CA ILE A 5 -6.593 -3.984 -0.771 1.00 0.00 C ATOM 68 C ILE A 5 -7.440 -4.201 0.479 1.00 0.00 C ATOM 69 O ILE A 5 -8.518 -4.797 0.406 1.00 0.00 O ATOM 70 CB ILE A 5 -7.280 -2.928 -1.677 1.00 0.00 C ATOM 71 CG1 ILE A 5 -6.526 -2.805 -3.012 1.00 0.00 C ATOM 72 CG2 ILE A 5 -7.336 -1.572 -0.969 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.219 -1.937 -4.042 1.00 0.00 C ATOM 0 H ILE A 5 -7.248 -5.449 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.603 -3.625 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.300 -3.253 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.534 -2.397 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.385 -3.802 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.821 -0.843 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.904 -1.668 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.324 -1.239 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.620 -1.904 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.201 -2.354 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.335 -0.927 -3.648 1.00 0.00 H new ATOM 85 N SER A 6 -6.946 -3.766 1.614 1.00 0.00 N ATOM 86 CA SER A 6 -7.712 -3.838 2.832 1.00 0.00 C ATOM 87 C SER A 6 -8.545 -2.553 2.948 1.00 0.00 C ATOM 88 O SER A 6 -8.119 -1.503 2.444 1.00 0.00 O ATOM 89 CB SER A 6 -6.768 -3.992 4.026 1.00 0.00 C ATOM 90 OG SER A 6 -5.890 -5.079 3.811 1.00 0.00 O ATOM 0 H SER A 6 -6.017 -3.359 1.718 1.00 0.00 H new ATOM 0 HA SER A 6 -8.378 -4.701 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.196 -3.075 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.344 -4.154 4.937 1.00 0.00 H new ATOM 0 HG SER A 6 -5.165 -4.800 3.214 1.00 0.00 H new ATOM 96 N PRO A 7 -9.740 -2.601 3.583 1.00 0.00 N ATOM 97 CA PRO A 7 -10.625 -1.425 3.729 1.00 0.00 C ATOM 98 C PRO A 7 -9.957 -0.244 4.452 1.00 0.00 C ATOM 99 O PRO A 7 -10.368 0.906 4.298 1.00 0.00 O ATOM 100 CB PRO A 7 -11.818 -1.963 4.523 1.00 0.00 C ATOM 101 CG PRO A 7 -11.794 -3.428 4.261 1.00 0.00 C ATOM 102 CD PRO A 7 -10.343 -3.795 4.193 1.00 0.00 C ATOM 0 HA PRO A 7 -10.901 -1.013 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.720 -1.746 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.754 -1.513 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.302 -3.977 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.305 -3.669 3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.929 -3.999 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.178 -4.687 3.588 1.00 0.00 H new ATOM 110 N SER A 8 -8.924 -0.529 5.217 1.00 0.00 N ATOM 111 CA SER A 8 -8.150 0.493 5.882 1.00 0.00 C ATOM 112 C SER A 8 -7.337 1.346 4.886 1.00 0.00 C ATOM 113 O SER A 8 -6.951 2.465 5.192 1.00 0.00 O ATOM 114 CB SER A 8 -7.243 -0.160 6.932 1.00 0.00 C ATOM 115 OG SER A 8 -6.582 -1.316 6.401 1.00 0.00 O ATOM 0 H SER A 8 -8.598 -1.479 5.394 1.00 0.00 H new ATOM 0 HA SER A 8 -8.837 1.178 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.501 0.561 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.835 -0.444 7.802 1.00 0.00 H new ATOM 0 HG SER A 8 -7.056 -2.124 6.688 1.00 0.00 H new ATOM 121 N ALA A 9 -7.128 0.825 3.685 1.00 0.00 N ATOM 122 CA ALA A 9 -6.328 1.495 2.673 1.00 0.00 C ATOM 123 C ALA A 9 -7.207 2.277 1.687 1.00 0.00 C ATOM 124 O ALA A 9 -6.756 2.686 0.609 1.00 0.00 O ATOM 125 CB ALA A 9 -5.482 0.465 1.934 1.00 0.00 C ATOM 0 H ALA A 9 -7.508 -0.073 3.386 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.676 2.215 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.881 0.965 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.825 -0.041 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.134 -0.267 1.457 1.00 0.00 H new ATOM 131 N PHE A 10 -8.444 2.511 2.067 1.00 0.00 N ATOM 132 CA PHE A 10 -9.395 3.201 1.208 1.00 0.00 C ATOM 133 C PHE A 10 -9.160 4.698 1.129 1.00 0.00 C ATOM 134 O PHE A 10 -8.553 5.303 2.012 1.00 0.00 O ATOM 135 CB PHE A 10 -10.833 2.924 1.623 1.00 0.00 C ATOM 136 CG PHE A 10 -11.366 1.576 1.229 1.00 0.00 C ATOM 137 CD1 PHE A 10 -10.538 0.585 0.719 1.00 0.00 C ATOM 138 CD2 PHE A 10 -12.708 1.310 1.361 1.00 0.00 C ATOM 139 CE1 PHE A 10 -11.049 -0.636 0.357 1.00 0.00 C ATOM 140 CE2 PHE A 10 -13.219 0.093 1.003 1.00 0.00 C ATOM 141 CZ PHE A 10 -12.393 -0.881 0.500 1.00 0.00 C ATOM 0 H PHE A 10 -8.822 2.233 2.973 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.227 2.794 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.907 3.023 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.474 3.691 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.481 0.777 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -13.367 2.071 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.397 -1.401 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -14.275 -0.102 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.800 -1.840 0.217 1.00 0.00 H new ATOM 151 N GLY A 11 -9.642 5.276 0.039 1.00 0.00 N ATOM 152 CA GLY A 11 -9.531 6.699 -0.209 1.00 0.00 C ATOM 153 C GLY A 11 -8.341 7.019 -1.079 1.00 0.00 C ATOM 154 O GLY A 11 -8.408 7.864 -1.952 1.00 0.00 O ATOM 0 H GLY A 11 -10.123 4.765 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.441 7.057 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.442 7.229 0.740 1.00 0.00 H new ATOM 158 N LYS A 12 -7.290 6.255 -0.905 1.00 0.00 N ATOM 159 CA LYS A 12 -6.043 6.454 -1.632 1.00 0.00 C ATOM 160 C LYS A 12 -5.996 5.484 -2.814 1.00 0.00 C ATOM 161 O LYS A 12 -4.944 5.278 -3.437 1.00 0.00 O ATOM 162 CB LYS A 12 -4.889 6.153 -0.685 1.00 0.00 C ATOM 163 CG LYS A 12 -4.983 6.877 0.672 1.00 0.00 C ATOM 164 CD LYS A 12 -4.646 8.365 0.606 1.00 0.00 C ATOM 165 CE LYS A 12 -3.153 8.653 0.808 1.00 0.00 C ATOM 166 NZ LYS A 12 -2.291 8.084 -0.249 1.00 0.00 N ATOM 0 H LYS A 12 -7.268 5.471 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.972 7.478 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.849 5.078 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.953 6.432 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.993 6.761 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.308 6.393 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.959 8.760 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.219 8.895 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.002 9.732 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.842 8.253 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.388 8.600 -0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.110 7.080 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.767 8.171 -1.170 1.00 0.00 H new ATOM 180 N LEU A 13 -7.157 4.929 -3.130 1.00 0.00 N ATOM 181 CA LEU A 13 -7.315 3.899 -4.156 1.00 0.00 C ATOM 182 C LEU A 13 -6.886 4.390 -5.533 1.00 0.00 C ATOM 183 O LEU A 13 -6.252 3.656 -6.288 1.00 0.00 O ATOM 184 CB LEU A 13 -8.769 3.402 -4.192 1.00 0.00 C ATOM 185 CG LEU A 13 -9.313 2.815 -2.877 1.00 0.00 C ATOM 186 CD1 LEU A 13 -10.754 2.369 -3.039 1.00 0.00 C ATOM 187 CD2 LEU A 13 -8.455 1.657 -2.402 1.00 0.00 C ATOM 0 H LEU A 13 -8.033 5.184 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.659 3.070 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.409 4.233 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.853 2.642 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.277 3.601 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.116 1.958 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.369 3.223 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.814 1.605 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.861 1.261 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.451 0.873 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.436 2.004 -2.234 1.00 0.00 H new ATOM 199 N LYS A 14 -7.203 5.647 -5.833 1.00 0.00 N ATOM 200 CA LYS A 14 -6.856 6.253 -7.123 1.00 0.00 C ATOM 201 C LYS A 14 -5.341 6.286 -7.317 1.00 0.00 C ATOM 202 O LYS A 14 -4.834 6.069 -8.430 1.00 0.00 O ATOM 203 CB LYS A 14 -7.388 7.687 -7.213 1.00 0.00 C ATOM 204 CG LYS A 14 -8.895 7.840 -7.072 1.00 0.00 C ATOM 205 CD LYS A 14 -9.286 9.301 -7.225 1.00 0.00 C ATOM 206 CE LYS A 14 -10.775 9.537 -7.022 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.616 8.807 -7.995 1.00 0.00 N ATOM 0 H LYS A 14 -7.702 6.271 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.314 5.642 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.906 8.283 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.086 8.108 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.402 7.238 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.217 7.469 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.727 9.899 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.000 9.647 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.051 9.233 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.982 10.604 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.520 9.306 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.124 8.756 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.796 7.844 -7.645 1.00 0.00 H new ATOM 221 N GLU A 15 -4.632 6.520 -6.224 1.00 0.00 N ATOM 222 CA GLU A 15 -3.198 6.649 -6.252 1.00 0.00 C ATOM 223 C GLU A 15 -2.527 5.302 -6.421 1.00 0.00 C ATOM 224 O GLU A 15 -1.788 5.105 -7.369 1.00 0.00 O ATOM 225 CB GLU A 15 -2.683 7.344 -4.993 1.00 0.00 C ATOM 226 CG GLU A 15 -3.218 8.749 -4.799 1.00 0.00 C ATOM 227 CD GLU A 15 -2.668 9.397 -3.558 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.234 9.186 -2.465 1.00 0.00 O ATOM 229 OE2 GLU A 15 -1.649 10.113 -3.637 1.00 0.00 O ATOM 0 H GLU A 15 -5.042 6.625 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.944 7.266 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.949 6.742 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.594 7.383 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.964 9.356 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.306 8.717 -4.739 1.00 0.00 H new ATOM 236 N ILE A 16 -2.824 4.361 -5.524 1.00 0.00 N ATOM 237 CA ILE A 16 -2.167 3.041 -5.539 1.00 0.00 C ATOM 238 C ILE A 16 -2.361 2.300 -6.852 1.00 0.00 C ATOM 239 O ILE A 16 -1.417 1.720 -7.397 1.00 0.00 O ATOM 240 CB ILE A 16 -2.595 2.134 -4.348 1.00 0.00 C ATOM 241 CG1 ILE A 16 -4.122 1.960 -4.281 1.00 0.00 C ATOM 242 CG2 ILE A 16 -2.057 2.691 -3.052 1.00 0.00 C ATOM 243 CD1 ILE A 16 -4.595 1.028 -3.181 1.00 0.00 C ATOM 0 H ILE A 16 -3.511 4.481 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.105 3.260 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.168 1.144 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.582 2.938 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.475 1.581 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.362 2.049 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.969 2.731 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.451 3.695 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.683 0.961 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.167 0.037 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.275 1.415 -2.214 1.00 0.00 H new ATOM 255 N LEU A 17 -3.553 2.378 -7.372 1.00 0.00 N ATOM 256 CA LEU A 17 -3.909 1.691 -8.574 1.00 0.00 C ATOM 257 C LEU A 17 -3.258 2.336 -9.792 1.00 0.00 C ATOM 258 O LEU A 17 -2.542 1.674 -10.531 1.00 0.00 O ATOM 259 CB LEU A 17 -5.429 1.665 -8.682 1.00 0.00 C ATOM 260 CG LEU A 17 -6.058 0.969 -9.880 1.00 0.00 C ATOM 261 CD1 LEU A 17 -5.559 -0.462 -10.019 1.00 0.00 C ATOM 262 CD2 LEU A 17 -7.551 0.969 -9.695 1.00 0.00 C ATOM 0 H LEU A 17 -4.311 2.927 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.538 0.667 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.818 1.191 -7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.780 2.697 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.780 1.504 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.029 -0.929 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.477 -0.459 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.813 -1.025 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.023 0.474 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.804 0.437 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.909 1.996 -9.629 1.00 0.00 H new ATOM 274 N GLY A 18 -3.444 3.634 -9.943 1.00 0.00 N ATOM 275 CA GLY A 18 -2.941 4.325 -11.112 1.00 0.00 C ATOM 276 C GLY A 18 -1.439 4.546 -11.109 1.00 0.00 C ATOM 277 O GLY A 18 -0.812 4.566 -12.167 1.00 0.00 O ATOM 0 H GLY A 18 -3.937 4.227 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.211 3.755 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.439 5.292 -11.190 1.00 0.00 H new ATOM 281 N SER A 19 -0.848 4.707 -9.945 1.00 0.00 N ATOM 282 CA SER A 19 0.575 4.978 -9.882 1.00 0.00 C ATOM 283 C SER A 19 1.411 3.701 -9.963 1.00 0.00 C ATOM 284 O SER A 19 2.449 3.677 -10.640 1.00 0.00 O ATOM 285 CB SER A 19 0.933 5.773 -8.623 1.00 0.00 C ATOM 286 OG SER A 19 0.184 6.986 -8.555 1.00 0.00 O ATOM 0 H SER A 19 -1.320 4.657 -9.042 1.00 0.00 H new ATOM 0 HA SER A 19 0.817 5.584 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.734 5.169 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.999 5.999 -8.622 1.00 0.00 H new ATOM 0 HG SER A 19 -0.694 6.806 -8.159 1.00 0.00 H new ATOM 292 N ASN A 20 0.968 2.638 -9.320 1.00 0.00 N ATOM 293 CA ASN A 20 1.788 1.436 -9.283 1.00 0.00 C ATOM 294 C ASN A 20 1.476 0.496 -10.424 1.00 0.00 C ATOM 295 O ASN A 20 2.351 0.238 -11.261 1.00 0.00 O ATOM 296 CB ASN A 20 1.651 0.696 -7.952 1.00 0.00 C ATOM 297 CG ASN A 20 2.604 -0.496 -7.827 1.00 0.00 C ATOM 298 OD1 ASN A 20 3.723 -0.477 -8.330 1.00 0.00 O ATOM 299 ND2 ASN A 20 2.160 -1.539 -7.175 1.00 0.00 N ATOM 0 H ASN A 20 0.075 2.577 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 20 2.819 1.772 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.840 1.392 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.625 0.346 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.749 -2.366 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.225 -1.526 -6.767 1.00 0.00 H new ATOM 306 N LYS A 21 0.211 0.038 -10.501 1.00 0.00 N ATOM 307 CA LYS A 21 -0.194 -0.985 -11.477 1.00 0.00 C ATOM 308 C LYS A 21 0.696 -2.228 -11.303 1.00 0.00 C ATOM 309 O LYS A 21 1.127 -2.514 -10.184 1.00 0.00 O ATOM 310 CB LYS A 21 -0.118 -0.435 -12.914 1.00 0.00 C ATOM 311 CG LYS A 21 -1.037 0.738 -13.155 1.00 0.00 C ATOM 312 CD LYS A 21 -0.937 1.236 -14.568 1.00 0.00 C ATOM 313 CE LYS A 21 -1.856 2.416 -14.787 1.00 0.00 C ATOM 314 NZ LYS A 21 -1.781 2.919 -16.166 1.00 0.00 N ATOM 0 H LYS A 21 -0.545 0.362 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.232 -1.266 -11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.908 -0.133 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.367 -1.232 -13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.065 0.445 -12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.787 1.545 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.091 1.525 -14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.195 0.435 -15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.882 2.124 -14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.593 3.215 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.425 3.728 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.808 3.221 -16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.057 2.164 -16.826 1.00 0.00 H new ATOM 328 N ASN A 22 0.888 -3.000 -12.381 1.00 0.00 N ATOM 329 CA ASN A 22 1.793 -4.199 -12.433 1.00 0.00 C ATOM 330 C ASN A 22 1.259 -5.388 -11.610 1.00 0.00 C ATOM 331 O ASN A 22 1.691 -6.525 -11.776 1.00 0.00 O ATOM 332 CB ASN A 22 3.231 -3.820 -11.987 1.00 0.00 C ATOM 333 CG ASN A 22 4.261 -4.938 -12.149 1.00 0.00 C ATOM 334 OD1 ASN A 22 4.184 -5.759 -13.067 1.00 0.00 O ATOM 335 ND2 ASN A 22 5.222 -4.979 -11.263 1.00 0.00 N ATOM 0 H ASN A 22 0.418 -2.821 -13.268 1.00 0.00 H new ATOM 0 HA ASN A 22 1.820 -4.527 -13.472 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.560 -2.954 -12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.205 -3.516 -10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.936 -5.705 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.257 -4.285 -10.516 1.00 0.00 H new ATOM 342 N TYR A 23 0.301 -5.132 -10.776 1.00 0.00 N ATOM 343 CA TYR A 23 -0.326 -6.141 -9.965 1.00 0.00 C ATOM 344 C TYR A 23 -1.766 -6.280 -10.358 1.00 0.00 C ATOM 345 O TYR A 23 -2.337 -5.378 -10.990 1.00 0.00 O ATOM 346 CB TYR A 23 -0.260 -5.773 -8.474 1.00 0.00 C ATOM 347 CG TYR A 23 1.104 -5.876 -7.834 1.00 0.00 C ATOM 348 CD1 TYR A 23 1.994 -4.811 -7.844 1.00 0.00 C ATOM 349 CD2 TYR A 23 1.492 -7.044 -7.201 1.00 0.00 C ATOM 350 CE1 TYR A 23 3.234 -4.915 -7.241 1.00 0.00 C ATOM 351 CE2 TYR A 23 2.723 -7.155 -6.600 1.00 0.00 C ATOM 352 CZ TYR A 23 3.590 -6.093 -6.621 1.00 0.00 C ATOM 353 OH TYR A 23 4.828 -6.216 -6.026 1.00 0.00 O ATOM 0 H TYR A 23 -0.079 -4.196 -10.633 1.00 0.00 H new ATOM 0 HA TYR A 23 0.207 -7.079 -10.124 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.621 -4.751 -8.354 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.947 -6.420 -7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.714 -3.888 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.814 -7.885 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.918 -4.079 -7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.007 -8.076 -6.113 1.00 0.00 H new ATOM 0 HH TYR A 23 4.916 -7.110 -5.635 1.00 0.00 H new ATOM 363 N LYS A 24 -2.346 -7.385 -10.016 1.00 0.00 N ATOM 364 CA LYS A 24 -3.745 -7.587 -10.219 1.00 0.00 C ATOM 365 C LYS A 24 -4.421 -7.305 -8.897 1.00 0.00 C ATOM 366 O LYS A 24 -4.352 -8.100 -7.965 1.00 0.00 O ATOM 367 CB LYS A 24 -4.032 -9.010 -10.701 1.00 0.00 C ATOM 368 CG LYS A 24 -5.497 -9.291 -11.021 1.00 0.00 C ATOM 369 CD LYS A 24 -6.019 -8.378 -12.124 1.00 0.00 C ATOM 370 CE LYS A 24 -7.427 -8.762 -12.539 1.00 0.00 C ATOM 371 NZ LYS A 24 -7.485 -10.142 -13.079 1.00 0.00 N ATOM 0 H LYS A 24 -1.863 -8.174 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.126 -6.922 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.436 -9.204 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.700 -9.712 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.610 -10.331 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.098 -9.156 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.009 -7.344 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.356 -8.432 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.094 -8.679 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.788 -8.062 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.355 -10.260 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.658 -10.312 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.483 -10.823 -12.293 1.00 0.00 H new ATOM 385 N PHE A 25 -5.002 -6.155 -8.804 1.00 0.00 N ATOM 386 CA PHE A 25 -5.588 -5.694 -7.572 1.00 0.00 C ATOM 387 C PHE A 25 -6.910 -6.395 -7.290 1.00 0.00 C ATOM 388 O PHE A 25 -7.731 -6.597 -8.190 1.00 0.00 O ATOM 389 CB PHE A 25 -5.753 -4.180 -7.599 1.00 0.00 C ATOM 390 CG PHE A 25 -4.454 -3.401 -7.651 1.00 0.00 C ATOM 391 CD1 PHE A 25 -3.736 -3.288 -8.833 1.00 0.00 C ATOM 392 CD2 PHE A 25 -3.963 -2.771 -6.520 1.00 0.00 C ATOM 393 CE1 PHE A 25 -2.558 -2.570 -8.885 1.00 0.00 C ATOM 394 CE2 PHE A 25 -2.782 -2.052 -6.568 1.00 0.00 C ATOM 395 CZ PHE A 25 -2.081 -1.950 -7.752 1.00 0.00 C ATOM 0 H PHE A 25 -5.088 -5.499 -9.580 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.912 -5.947 -6.755 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.358 -3.910 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.309 -3.873 -6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.105 -3.769 -9.727 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.508 -2.842 -5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.011 -2.495 -9.813 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.408 -1.570 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.161 -1.386 -7.790 1.00 0.00 H new ATOM 405 N VAL A 26 -7.089 -6.785 -6.056 1.00 0.00 N ATOM 406 CA VAL A 26 -8.255 -7.512 -5.617 1.00 0.00 C ATOM 407 C VAL A 26 -8.855 -6.820 -4.390 1.00 0.00 C ATOM 408 O VAL A 26 -8.126 -6.334 -3.516 1.00 0.00 O ATOM 409 CB VAL A 26 -7.896 -8.991 -5.247 1.00 0.00 C ATOM 410 CG1 VAL A 26 -9.128 -9.786 -4.829 1.00 0.00 C ATOM 411 CG2 VAL A 26 -7.176 -9.695 -6.390 1.00 0.00 C ATOM 0 H VAL A 26 -6.416 -6.604 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.975 -7.525 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.220 -8.944 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.836 -10.806 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.585 -9.317 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.845 -9.804 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.943 -10.719 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.817 -9.707 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.252 -9.164 -6.620 1.00 0.00 H new ATOM 421 N ILE A 27 -10.153 -6.755 -4.348 1.00 0.00 N ATOM 422 CA ILE A 27 -10.872 -6.192 -3.244 1.00 0.00 C ATOM 423 C ILE A 27 -11.913 -7.227 -2.791 1.00 0.00 C ATOM 424 O ILE A 27 -12.257 -8.127 -3.553 1.00 0.00 O ATOM 425 CB ILE A 27 -11.557 -4.839 -3.652 1.00 0.00 C ATOM 426 CG1 ILE A 27 -12.176 -4.127 -2.442 1.00 0.00 C ATOM 427 CG2 ILE A 27 -12.605 -5.050 -4.736 1.00 0.00 C ATOM 428 CD1 ILE A 27 -11.171 -3.752 -1.379 1.00 0.00 C ATOM 0 H ILE A 27 -10.754 -7.099 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 27 -10.190 -5.964 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.773 -4.198 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.684 -3.225 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.935 -4.773 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.059 -4.093 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -12.133 -5.478 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.375 -5.730 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.682 -3.253 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.680 -4.652 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.425 -3.080 -1.804 1.00 0.00 H new ATOM 440 N THR A 28 -12.382 -7.127 -1.582 1.00 0.00 N ATOM 441 CA THR A 28 -13.345 -8.062 -1.072 1.00 0.00 C ATOM 442 C THR A 28 -14.767 -7.498 -1.215 1.00 0.00 C ATOM 443 O THR A 28 -14.943 -6.308 -1.510 1.00 0.00 O ATOM 444 CB THR A 28 -13.040 -8.369 0.402 1.00 0.00 C ATOM 445 OG1 THR A 28 -12.974 -7.138 1.144 1.00 0.00 O ATOM 446 CG2 THR A 28 -11.713 -9.098 0.526 1.00 0.00 C ATOM 0 H THR A 28 -12.110 -6.398 -0.922 1.00 0.00 H new ATOM 0 HA THR A 28 -13.282 -8.985 -1.648 1.00 0.00 H new ATOM 0 HB THR A 28 -13.833 -9.002 0.800 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.781 -7.333 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.510 -9.309 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.759 -10.035 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.916 -8.474 0.121 1.00 0.00 H new ATOM 454 N THR A 29 -15.772 -8.333 -1.006 1.00 0.00 N ATOM 455 CA THR A 29 -17.149 -7.920 -1.084 1.00 0.00 C ATOM 456 C THR A 29 -17.477 -6.985 0.068 1.00 0.00 C ATOM 457 O THR A 29 -18.172 -5.991 -0.103 1.00 0.00 O ATOM 458 CB THR A 29 -18.058 -9.150 -1.063 1.00 0.00 C ATOM 459 OG1 THR A 29 -17.601 -10.034 -0.029 1.00 0.00 O ATOM 460 CG2 THR A 29 -18.019 -9.869 -2.407 1.00 0.00 C ATOM 0 H THR A 29 -15.647 -9.319 -0.777 1.00 0.00 H new ATOM 0 HA THR A 29 -17.314 -7.382 -2.018 1.00 0.00 H new ATOM 0 HB THR A 29 -19.085 -8.840 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 29 -18.174 -10.828 -0.000 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.672 -10.741 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.359 -9.193 -3.191 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.999 -10.188 -2.620 1.00 0.00 H new ATOM 468 N LEU A 30 -16.934 -7.292 1.236 1.00 0.00 N ATOM 469 CA LEU A 30 -17.079 -6.424 2.383 1.00 0.00 C ATOM 470 C LEU A 30 -16.331 -5.130 2.133 1.00 0.00 C ATOM 471 O LEU A 30 -16.739 -4.081 2.587 1.00 0.00 O ATOM 472 CB LEU A 30 -16.574 -7.090 3.658 1.00 0.00 C ATOM 473 CG LEU A 30 -17.300 -8.361 4.103 1.00 0.00 C ATOM 474 CD1 LEU A 30 -16.696 -8.878 5.391 1.00 0.00 C ATOM 475 CD2 LEU A 30 -18.791 -8.100 4.288 1.00 0.00 C ATOM 0 H LEU A 30 -16.390 -8.137 1.410 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.139 -6.214 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.520 -7.330 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.633 -6.363 4.468 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.181 -9.115 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.219 -9.783 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.641 -9.104 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -16.792 -8.120 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.285 -9.019 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.934 -7.331 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.221 -7.763 3.345 1.00 0.00 H new ATOM 487 N GLY A 31 -15.241 -5.229 1.378 1.00 0.00 N ATOM 488 CA GLY A 31 -14.473 -4.071 0.997 1.00 0.00 C ATOM 489 C GLY A 31 -15.286 -3.123 0.143 1.00 0.00 C ATOM 490 O GLY A 31 -15.430 -1.954 0.483 1.00 0.00 O ATOM 0 H GLY A 31 -14.876 -6.112 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.128 -3.552 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.585 -4.386 0.449 1.00 0.00 H new ATOM 494 N VAL A 32 -15.861 -3.630 -0.947 1.00 0.00 N ATOM 495 CA VAL A 32 -16.674 -2.782 -1.816 1.00 0.00 C ATOM 496 C VAL A 32 -17.900 -2.248 -1.072 1.00 0.00 C ATOM 497 O VAL A 32 -18.293 -1.105 -1.260 1.00 0.00 O ATOM 498 CB VAL A 32 -17.098 -3.462 -3.170 1.00 0.00 C ATOM 499 CG1 VAL A 32 -15.888 -3.897 -3.966 1.00 0.00 C ATOM 500 CG2 VAL A 32 -18.045 -4.637 -2.967 1.00 0.00 C ATOM 0 H VAL A 32 -15.782 -4.602 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 32 -16.028 -1.949 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.639 -2.704 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.213 -4.363 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.270 -3.028 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.308 -4.613 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.304 -5.067 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.559 -5.394 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.951 -4.292 -2.469 1.00 0.00 H new ATOM 510 N SER A 33 -18.452 -3.063 -0.182 1.00 0.00 N ATOM 511 CA SER A 33 -19.606 -2.686 0.597 1.00 0.00 C ATOM 512 C SER A 33 -19.220 -1.575 1.595 1.00 0.00 C ATOM 513 O SER A 33 -19.980 -0.620 1.807 1.00 0.00 O ATOM 514 CB SER A 33 -20.162 -3.921 1.324 1.00 0.00 C ATOM 515 OG SER A 33 -21.439 -3.670 1.897 1.00 0.00 O ATOM 0 H SER A 33 -18.106 -4.002 0.014 1.00 0.00 H new ATOM 0 HA SER A 33 -20.385 -2.296 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.236 -4.752 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.467 -4.225 2.106 1.00 0.00 H new ATOM 0 HG SER A 33 -21.760 -4.479 2.349 1.00 0.00 H new ATOM 521 N PHE A 34 -18.021 -1.689 2.167 1.00 0.00 N ATOM 522 CA PHE A 34 -17.496 -0.701 3.093 1.00 0.00 C ATOM 523 C PHE A 34 -17.330 0.627 2.377 1.00 0.00 C ATOM 524 O PHE A 34 -17.655 1.682 2.924 1.00 0.00 O ATOM 525 CB PHE A 34 -16.154 -1.170 3.687 1.00 0.00 C ATOM 526 CG PHE A 34 -15.562 -0.237 4.712 1.00 0.00 C ATOM 527 CD1 PHE A 34 -16.041 -0.226 6.008 1.00 0.00 C ATOM 528 CD2 PHE A 34 -14.529 0.626 4.377 1.00 0.00 C ATOM 529 CE1 PHE A 34 -15.504 0.626 6.949 1.00 0.00 C ATOM 530 CE2 PHE A 34 -13.987 1.480 5.313 1.00 0.00 C ATOM 531 CZ PHE A 34 -14.474 1.480 6.602 1.00 0.00 C ATOM 0 H PHE A 34 -17.390 -2.472 1.997 1.00 0.00 H new ATOM 0 HA PHE A 34 -18.200 -0.576 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -16.297 -2.149 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.438 -1.299 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.844 -0.892 6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -14.144 0.629 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.888 0.626 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.183 2.147 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.052 2.146 7.340 1.00 0.00 H new ATOM 541 N ALA A 35 -16.858 0.565 1.143 1.00 0.00 N ATOM 542 CA ALA A 35 -16.702 1.745 0.320 1.00 0.00 C ATOM 543 C ALA A 35 -18.060 2.373 0.030 1.00 0.00 C ATOM 544 O ALA A 35 -18.202 3.591 0.090 1.00 0.00 O ATOM 545 CB ALA A 35 -15.983 1.410 -0.975 1.00 0.00 C ATOM 0 H ALA A 35 -16.574 -0.303 0.688 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.095 2.466 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.878 2.313 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.996 1.007 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.559 0.669 -1.530 1.00 0.00 H new ATOM 551 N ILE A 36 -19.054 1.534 -0.258 1.00 0.00 N ATOM 552 CA ILE A 36 -20.420 2.001 -0.524 1.00 0.00 C ATOM 553 C ILE A 36 -20.981 2.752 0.688 1.00 0.00 C ATOM 554 O ILE A 36 -21.377 3.909 0.571 1.00 0.00 O ATOM 555 CB ILE A 36 -21.393 0.832 -0.917 1.00 0.00 C ATOM 556 CG1 ILE A 36 -20.940 0.127 -2.211 1.00 0.00 C ATOM 557 CG2 ILE A 36 -22.837 1.328 -1.061 1.00 0.00 C ATOM 558 CD1 ILE A 36 -20.867 1.025 -3.434 1.00 0.00 C ATOM 0 H ILE A 36 -18.941 0.522 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 36 -20.355 2.677 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.359 0.106 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.958 -0.314 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -21.626 -0.693 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -23.483 0.493 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -23.172 1.752 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -22.884 2.091 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -20.540 0.442 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -21.852 1.447 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -20.157 1.832 -3.251 1.00 0.00 H new ATOM 570 N LYS A 37 -20.952 2.116 1.858 1.00 0.00 N ATOM 571 CA LYS A 37 -21.518 2.724 3.069 1.00 0.00 C ATOM 572 C LYS A 37 -20.730 3.942 3.547 1.00 0.00 C ATOM 573 O LYS A 37 -21.269 4.801 4.239 1.00 0.00 O ATOM 574 CB LYS A 37 -21.683 1.711 4.218 1.00 0.00 C ATOM 575 CG LYS A 37 -20.403 1.013 4.656 1.00 0.00 C ATOM 576 CD LYS A 37 -20.552 0.199 5.962 1.00 0.00 C ATOM 577 CE LYS A 37 -21.489 -1.030 5.876 1.00 0.00 C ATOM 578 NZ LYS A 37 -22.936 -0.696 5.715 1.00 0.00 N ATOM 0 H LYS A 37 -20.548 1.190 1.997 1.00 0.00 H new ATOM 0 HA LYS A 37 -22.511 3.067 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -22.109 2.228 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -22.405 0.953 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.073 0.347 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.621 1.760 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.564 -0.140 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.922 0.863 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.177 -1.651 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.366 -1.629 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.505 -1.309 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.093 0.299 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.219 -0.845 4.725 1.00 0.00 H new ATOM 592 N SER A 38 -19.476 4.021 3.187 1.00 0.00 N ATOM 593 CA SER A 38 -18.659 5.136 3.604 1.00 0.00 C ATOM 594 C SER A 38 -18.659 6.257 2.555 1.00 0.00 C ATOM 595 O SER A 38 -18.180 7.362 2.815 1.00 0.00 O ATOM 596 CB SER A 38 -17.241 4.659 3.879 1.00 0.00 C ATOM 597 OG SER A 38 -17.238 3.585 4.817 1.00 0.00 O ATOM 0 H SER A 38 -18.997 3.331 2.608 1.00 0.00 H new ATOM 0 HA SER A 38 -19.083 5.548 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.775 4.335 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.643 5.485 4.264 1.00 0.00 H new ATOM 0 HG SER A 38 -17.381 2.738 4.345 1.00 0.00 H new ATOM 603 N GLY A 39 -19.210 5.968 1.381 1.00 0.00 N ATOM 604 CA GLY A 39 -19.233 6.945 0.308 1.00 0.00 C ATOM 605 C GLY A 39 -17.853 7.154 -0.289 1.00 0.00 C ATOM 606 O GLY A 39 -17.470 8.275 -0.634 1.00 0.00 O ATOM 0 H GLY A 39 -19.642 5.073 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.920 6.615 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.613 7.894 0.687 1.00 0.00 H new ATOM 610 N ILE A 40 -17.108 6.087 -0.397 1.00 0.00 N ATOM 611 CA ILE A 40 -15.757 6.131 -0.925 1.00 0.00 C ATOM 612 C ILE A 40 -15.760 5.590 -2.344 1.00 0.00 C ATOM 613 O ILE A 40 -16.491 4.637 -2.639 1.00 0.00 O ATOM 614 CB ILE A 40 -14.781 5.283 -0.047 1.00 0.00 C ATOM 615 CG1 ILE A 40 -14.812 5.778 1.405 1.00 0.00 C ATOM 616 CG2 ILE A 40 -13.351 5.346 -0.597 1.00 0.00 C ATOM 617 CD1 ILE A 40 -13.965 4.963 2.365 1.00 0.00 C ATOM 0 H ILE A 40 -17.416 5.154 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 40 -15.414 7.165 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 40 -15.111 4.245 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -14.473 6.814 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -15.844 5.772 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.692 4.748 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -13.335 4.955 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.008 6.381 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -14.046 5.383 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.316 3.931 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.924 4.989 2.043 1.00 0.00 H new ATOM 629 N ASP A 41 -14.980 6.215 -3.210 1.00 0.00 N ATOM 630 CA ASP A 41 -14.845 5.796 -4.603 1.00 0.00 C ATOM 631 C ASP A 41 -14.230 4.424 -4.733 1.00 0.00 C ATOM 632 O ASP A 41 -13.051 4.218 -4.446 1.00 0.00 O ATOM 633 CB ASP A 41 -14.033 6.808 -5.407 1.00 0.00 C ATOM 634 CG ASP A 41 -13.597 6.302 -6.777 1.00 0.00 C ATOM 635 OD1 ASP A 41 -14.419 5.760 -7.546 1.00 0.00 O ATOM 636 OD2 ASP A 41 -12.418 6.465 -7.123 1.00 0.00 O ATOM 0 H ASP A 41 -14.418 7.032 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.855 5.747 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.626 7.714 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.148 7.086 -4.835 1.00 0.00 H new ATOM 641 N ILE A 42 -15.046 3.492 -5.121 1.00 0.00 N ATOM 642 CA ILE A 42 -14.609 2.144 -5.381 1.00 0.00 C ATOM 643 C ILE A 42 -14.774 1.858 -6.889 1.00 0.00 C ATOM 644 O ILE A 42 -14.264 0.866 -7.426 1.00 0.00 O ATOM 645 CB ILE A 42 -15.445 1.127 -4.531 1.00 0.00 C ATOM 646 CG1 ILE A 42 -14.903 -0.304 -4.629 1.00 0.00 C ATOM 647 CG2 ILE A 42 -16.921 1.166 -4.911 1.00 0.00 C ATOM 648 CD1 ILE A 42 -13.520 -0.483 -4.037 1.00 0.00 C ATOM 0 H ILE A 42 -16.044 3.642 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.562 2.032 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.346 1.441 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.594 -0.978 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -14.879 -0.601 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -17.472 0.449 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.315 2.167 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.032 0.910 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -13.209 -1.522 -4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.814 0.164 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.540 -0.219 -2.980 1.00 0.00 H new ATOM 660 N ASP A 43 -15.437 2.783 -7.570 1.00 0.00 N ATOM 661 CA ASP A 43 -15.768 2.628 -8.988 1.00 0.00 C ATOM 662 C ASP A 43 -14.519 2.652 -9.814 1.00 0.00 C ATOM 663 O ASP A 43 -14.294 1.761 -10.627 1.00 0.00 O ATOM 664 CB ASP A 43 -16.698 3.741 -9.486 1.00 0.00 C ATOM 665 CG ASP A 43 -17.950 3.890 -8.676 1.00 0.00 C ATOM 666 OD1 ASP A 43 -18.952 3.173 -8.921 1.00 0.00 O ATOM 667 OD2 ASP A 43 -17.972 4.737 -7.763 1.00 0.00 O ATOM 0 H ASP A 43 -15.761 3.660 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.280 1.671 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.156 4.686 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.969 3.539 -10.522 1.00 0.00 H new ATOM 672 N SER A 44 -13.675 3.654 -9.564 1.00 0.00 N ATOM 673 CA SER A 44 -12.433 3.838 -10.315 1.00 0.00 C ATOM 674 C SER A 44 -11.501 2.640 -10.121 1.00 0.00 C ATOM 675 O SER A 44 -10.676 2.326 -10.983 1.00 0.00 O ATOM 676 CB SER A 44 -11.738 5.108 -9.851 1.00 0.00 C ATOM 677 OG SER A 44 -12.666 6.177 -9.756 1.00 0.00 O ATOM 0 H SER A 44 -13.831 4.356 -8.841 1.00 0.00 H new ATOM 0 HA SER A 44 -12.676 3.920 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.269 4.939 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.943 5.370 -10.549 1.00 0.00 H new ATOM 0 HG SER A 44 -12.527 6.657 -8.913 1.00 0.00 H new ATOM 683 N ALA A 45 -11.657 1.971 -8.987 1.00 0.00 N ATOM 684 CA ALA A 45 -10.875 0.811 -8.666 1.00 0.00 C ATOM 685 C ALA A 45 -11.276 -0.343 -9.578 1.00 0.00 C ATOM 686 O ALA A 45 -10.445 -0.877 -10.342 1.00 0.00 O ATOM 687 CB ALA A 45 -11.058 0.446 -7.196 1.00 0.00 C ATOM 0 H ALA A 45 -12.335 2.228 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.818 1.025 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.461 -0.435 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.735 1.279 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.109 0.233 -7.002 1.00 0.00 H new ATOM 693 N LEU A 46 -12.555 -0.676 -9.546 1.00 0.00 N ATOM 694 CA LEU A 46 -13.115 -1.759 -10.357 1.00 0.00 C ATOM 695 C LEU A 46 -12.863 -1.482 -11.843 1.00 0.00 C ATOM 696 O LEU A 46 -12.509 -2.380 -12.620 1.00 0.00 O ATOM 697 CB LEU A 46 -14.620 -1.872 -10.082 1.00 0.00 C ATOM 698 CG LEU A 46 -15.024 -2.151 -8.621 1.00 0.00 C ATOM 699 CD1 LEU A 46 -16.531 -2.097 -8.465 1.00 0.00 C ATOM 700 CD2 LEU A 46 -14.496 -3.501 -8.150 1.00 0.00 C ATOM 0 H LEU A 46 -13.242 -0.205 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.632 -2.700 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -15.097 -0.944 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -15.024 -2.668 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 46 -14.577 -1.375 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -16.797 -2.296 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -16.891 -1.108 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -16.990 -2.848 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.797 -3.669 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.904 -4.291 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.408 -3.510 -8.217 1.00 0.00 H new ATOM 712 N ASP A 47 -13.010 -0.222 -12.193 1.00 0.00 N ATOM 713 CA ASP A 47 -12.776 0.309 -13.539 1.00 0.00 C ATOM 714 C ASP A 47 -11.358 0.029 -14.050 1.00 0.00 C ATOM 715 O ASP A 47 -11.173 -0.455 -15.164 1.00 0.00 O ATOM 716 CB ASP A 47 -13.031 1.819 -13.523 1.00 0.00 C ATOM 717 CG ASP A 47 -12.546 2.532 -14.756 1.00 0.00 C ATOM 718 OD1 ASP A 47 -13.214 2.460 -15.799 1.00 0.00 O ATOM 719 OD2 ASP A 47 -11.506 3.195 -14.683 1.00 0.00 O ATOM 0 H ASP A 47 -13.306 0.495 -11.531 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.461 -0.196 -14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.101 1.996 -13.410 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.542 2.251 -12.650 1.00 0.00 H new ATOM 724 N ARG A 48 -10.372 0.289 -13.226 1.00 0.00 N ATOM 725 CA ARG A 48 -8.982 0.172 -13.651 1.00 0.00 C ATOM 726 C ARG A 48 -8.357 -1.205 -13.401 1.00 0.00 C ATOM 727 O ARG A 48 -7.153 -1.396 -13.646 1.00 0.00 O ATOM 728 CB ARG A 48 -8.152 1.281 -13.048 1.00 0.00 C ATOM 729 CG ARG A 48 -8.421 2.647 -13.636 1.00 0.00 C ATOM 730 CD ARG A 48 -7.900 3.727 -12.715 1.00 0.00 C ATOM 731 NE ARG A 48 -7.983 5.079 -13.295 1.00 0.00 N ATOM 732 CZ ARG A 48 -9.100 5.836 -13.417 1.00 0.00 C ATOM 733 NH1 ARG A 48 -10.319 5.288 -13.349 1.00 0.00 N ATOM 734 NH2 ARG A 48 -8.987 7.119 -13.716 1.00 0.00 N ATOM 0 H ARG A 48 -10.497 0.583 -12.257 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.987 0.279 -14.736 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.339 1.317 -11.975 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.097 1.043 -13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.943 2.731 -14.612 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.492 2.779 -13.793 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.465 3.704 -11.783 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.862 3.510 -12.463 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.113 5.485 -13.639 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.419 4.283 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.148 5.875 -13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.064 7.531 -13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.823 7.696 -13.810 1.00 0.00 H new ATOM 748 N GLY A 49 -9.137 -2.154 -12.916 1.00 0.00 N ATOM 749 CA GLY A 49 -8.618 -3.509 -12.834 1.00 0.00 C ATOM 750 C GLY A 49 -8.676 -4.152 -11.474 1.00 0.00 C ATOM 751 O GLY A 49 -8.146 -5.251 -11.292 1.00 0.00 O ATOM 0 H GLY A 49 -10.093 -2.023 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.173 -4.133 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.580 -3.501 -13.167 1.00 0.00 H new ATOM 755 N VAL A 50 -9.290 -3.500 -10.517 1.00 0.00 N ATOM 756 CA VAL A 50 -9.460 -4.112 -9.213 1.00 0.00 C ATOM 757 C VAL A 50 -10.657 -5.053 -9.279 1.00 0.00 C ATOM 758 O VAL A 50 -11.766 -4.634 -9.624 1.00 0.00 O ATOM 759 CB VAL A 50 -9.667 -3.065 -8.080 1.00 0.00 C ATOM 760 CG1 VAL A 50 -9.826 -3.743 -6.731 1.00 0.00 C ATOM 761 CG2 VAL A 50 -8.509 -2.086 -8.028 1.00 0.00 C ATOM 0 H VAL A 50 -9.676 -2.560 -10.609 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.547 -4.656 -8.969 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.582 -2.517 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.969 -2.987 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.692 -4.405 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.931 -4.325 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.678 -1.365 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.583 -2.628 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.434 -1.561 -8.980 1.00 0.00 H new ATOM 771 N ILE A 51 -10.425 -6.311 -9.015 1.00 0.00 N ATOM 772 CA ILE A 51 -11.475 -7.309 -9.063 1.00 0.00 C ATOM 773 C ILE A 51 -11.931 -7.670 -7.669 1.00 0.00 C ATOM 774 O ILE A 51 -11.167 -7.574 -6.720 1.00 0.00 O ATOM 775 CB ILE A 51 -11.036 -8.594 -9.813 1.00 0.00 C ATOM 776 CG1 ILE A 51 -9.778 -9.205 -9.162 1.00 0.00 C ATOM 777 CG2 ILE A 51 -10.805 -8.285 -11.286 1.00 0.00 C ATOM 778 CD1 ILE A 51 -9.345 -10.531 -9.750 1.00 0.00 C ATOM 0 H ILE A 51 -9.508 -6.678 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.302 -6.865 -9.617 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.833 -9.334 -9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.956 -8.495 -9.255 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.965 -9.339 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.497 -9.193 -11.804 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.728 -7.910 -11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.024 -7.530 -11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.454 -10.885 -9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.147 -11.260 -9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.122 -10.404 -10.809 1.00 0.00 H new ATOM 790 N VAL A 52 -13.160 -8.071 -7.543 1.00 0.00 N ATOM 791 CA VAL A 52 -13.695 -8.426 -6.259 1.00 0.00 C ATOM 792 C VAL A 52 -13.663 -9.953 -6.037 1.00 0.00 C ATOM 793 O VAL A 52 -14.097 -10.738 -6.898 1.00 0.00 O ATOM 794 CB VAL A 52 -15.131 -7.839 -6.048 1.00 0.00 C ATOM 795 CG1 VAL A 52 -16.116 -8.352 -7.082 1.00 0.00 C ATOM 796 CG2 VAL A 52 -15.640 -8.105 -4.645 1.00 0.00 C ATOM 0 H VAL A 52 -13.817 -8.162 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.052 -7.975 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.049 -6.760 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.098 -7.918 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.777 -8.069 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.181 -9.438 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.639 -7.684 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.678 -9.180 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.969 -7.643 -3.921 1.00 0.00 H new ATOM 806 N ARG A 53 -13.104 -10.362 -4.920 1.00 0.00 N ATOM 807 CA ARG A 53 -13.052 -11.754 -4.531 1.00 0.00 C ATOM 808 C ARG A 53 -13.050 -11.804 -3.019 1.00 0.00 C ATOM 809 O ARG A 53 -12.259 -11.112 -2.380 1.00 0.00 O ATOM 810 CB ARG A 53 -11.788 -12.432 -5.051 1.00 0.00 C ATOM 811 CG ARG A 53 -11.834 -13.947 -4.964 1.00 0.00 C ATOM 812 CD ARG A 53 -10.496 -14.552 -5.313 1.00 0.00 C ATOM 813 NE ARG A 53 -10.592 -15.980 -5.653 1.00 0.00 N ATOM 814 CZ ARG A 53 -9.864 -16.966 -5.116 1.00 0.00 C ATOM 815 NH1 ARG A 53 -9.251 -16.791 -3.955 1.00 0.00 N ATOM 816 NH2 ARG A 53 -9.830 -18.153 -5.693 1.00 0.00 N ATOM 0 H ARG A 53 -12.668 -9.730 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.910 -12.278 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.630 -12.140 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.931 -12.069 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.121 -14.248 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.598 -14.330 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.065 -14.010 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.815 -14.428 -4.471 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.276 -16.242 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.332 -15.900 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.698 -17.547 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.359 -18.319 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.275 -18.904 -5.283 1.00 0.00 H new ATOM 830 N ALA A 54 -13.955 -12.557 -2.461 1.00 0.00 N ATOM 831 CA ALA A 54 -14.078 -12.674 -1.027 1.00 0.00 C ATOM 832 C ALA A 54 -14.711 -13.975 -0.658 1.00 0.00 C ATOM 833 O ALA A 54 -15.376 -14.602 -1.488 1.00 0.00 O ATOM 834 CB ALA A 54 -14.857 -11.534 -0.447 1.00 0.00 C ATOM 0 H ALA A 54 -14.633 -13.111 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 54 -13.073 -12.640 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.929 -11.655 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.352 -10.595 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.858 -11.521 -0.878 1.00 0.00 H new ATOM 840 N PHE A 55 -14.492 -14.388 0.557 1.00 0.00 N ATOM 841 CA PHE A 55 -15.068 -15.594 1.065 1.00 0.00 C ATOM 842 C PHE A 55 -16.452 -15.329 1.590 1.00 0.00 C ATOM 843 O PHE A 55 -16.693 -14.326 2.264 1.00 0.00 O ATOM 844 CB PHE A 55 -14.266 -16.124 2.232 1.00 0.00 C ATOM 845 CG PHE A 55 -12.927 -16.686 1.926 1.00 0.00 C ATOM 846 CD1 PHE A 55 -11.825 -15.869 1.762 1.00 0.00 C ATOM 847 CD2 PHE A 55 -12.769 -18.046 1.844 1.00 0.00 C ATOM 848 CE1 PHE A 55 -10.585 -16.406 1.514 1.00 0.00 C ATOM 849 CE2 PHE A 55 -11.546 -18.600 1.606 1.00 0.00 C ATOM 850 CZ PHE A 55 -10.440 -17.783 1.433 1.00 0.00 C ATOM 0 H PHE A 55 -13.904 -13.892 1.226 1.00 0.00 H new ATOM 0 HA PHE A 55 -15.082 -16.311 0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -14.138 -15.315 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -14.854 -16.898 2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.940 -14.797 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -13.628 -18.689 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.729 -15.760 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.439 -19.673 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.470 -18.216 1.236 1.00 0.00 H new ATOM 860 N SER A 56 -17.344 -16.212 1.303 1.00 0.00 N ATOM 861 CA SER A 56 -18.645 -16.168 1.893 1.00 0.00 C ATOM 862 C SER A 56 -18.593 -17.047 3.142 1.00 0.00 C ATOM 863 O SER A 56 -19.241 -16.768 4.168 1.00 0.00 O ATOM 864 CB SER A 56 -19.692 -16.681 0.897 1.00 0.00 C ATOM 865 OG SER A 56 -21.004 -16.650 1.445 1.00 0.00 O ATOM 0 H SER A 56 -17.197 -16.985 0.654 1.00 0.00 H new ATOM 0 HA SER A 56 -18.928 -15.149 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.662 -16.073 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.445 -17.701 0.604 1.00 0.00 H new ATOM 0 HG SER A 56 -21.644 -16.982 0.781 1.00 0.00 H new ATOM 871 N HIS A 57 -17.765 -18.074 3.059 1.00 0.00 N ATOM 872 CA HIS A 57 -17.568 -19.017 4.124 1.00 0.00 C ATOM 873 C HIS A 57 -16.087 -19.177 4.435 1.00 0.00 C ATOM 874 O HIS A 57 -15.356 -19.813 3.694 1.00 0.00 O ATOM 875 CB HIS A 57 -18.182 -20.395 3.730 1.00 0.00 C ATOM 876 CG HIS A 57 -17.856 -21.562 4.657 1.00 0.00 C ATOM 877 ND1 HIS A 57 -18.751 -22.088 5.552 1.00 0.00 N ATOM 878 CD2 HIS A 57 -16.725 -22.323 4.772 1.00 0.00 C ATOM 879 CE1 HIS A 57 -18.203 -23.112 6.178 1.00 0.00 C ATOM 880 NE2 HIS A 57 -16.976 -23.271 5.723 1.00 0.00 N ATOM 0 H HIS A 57 -17.205 -18.271 2.230 1.00 0.00 H new ATOM 0 HA HIS A 57 -18.068 -18.641 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -19.266 -20.287 3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -17.842 -20.648 2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -15.807 -22.198 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -18.679 -23.717 6.935 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -16.319 -23.987 6.032 1.00 0.00 H new ATOM 889 N LYS A 58 -15.652 -18.536 5.452 1.00 0.00 N ATOM 890 CA LYS A 58 -14.378 -18.809 6.050 1.00 0.00 C ATOM 891 C LYS A 58 -14.554 -18.798 7.534 1.00 0.00 C ATOM 892 O LYS A 58 -15.448 -18.092 8.022 1.00 0.00 O ATOM 893 CB LYS A 58 -13.221 -17.879 5.561 1.00 0.00 C ATOM 894 CG LYS A 58 -13.503 -16.378 5.508 1.00 0.00 C ATOM 895 CD LYS A 58 -13.781 -15.741 6.851 1.00 0.00 C ATOM 896 CE LYS A 58 -14.102 -14.281 6.667 1.00 0.00 C ATOM 897 NZ LYS A 58 -15.174 -14.092 5.666 1.00 0.00 N ATOM 0 H LYS A 58 -16.173 -17.789 5.911 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.047 -19.795 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.362 -18.038 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.927 -18.203 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.648 -15.877 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.358 -16.205 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.614 -16.247 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.915 -15.853 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.410 -13.851 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.207 -13.746 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.481 -13.098 5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.815 -14.341 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.981 -14.704 5.902 1.00 0.00 H new ATOM 911 N PRO A 59 -13.809 -19.585 8.286 1.00 0.00 N ATOM 912 CA PRO A 59 -13.846 -19.467 9.727 1.00 0.00 C ATOM 913 C PRO A 59 -13.190 -18.135 10.093 1.00 0.00 C ATOM 914 O PRO A 59 -12.041 -17.878 9.705 1.00 0.00 O ATOM 915 CB PRO A 59 -12.973 -20.638 10.209 1.00 0.00 C ATOM 916 CG PRO A 59 -12.831 -21.535 9.027 1.00 0.00 C ATOM 917 CD PRO A 59 -12.903 -20.648 7.832 1.00 0.00 C ATOM 0 HA PRO A 59 -14.846 -19.494 10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.001 -20.287 10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.440 -21.159 11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.884 -22.074 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.623 -22.283 9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.924 -20.257 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.295 -21.171 6.960 1.00 0.00 H new ATOM 925 N PRO A 60 -13.879 -17.253 10.804 1.00 0.00 N ATOM 926 CA PRO A 60 -13.327 -15.973 11.100 1.00 0.00 C ATOM 927 C PRO A 60 -12.515 -15.957 12.382 1.00 0.00 C ATOM 928 O PRO A 60 -12.954 -16.427 13.439 1.00 0.00 O ATOM 929 CB PRO A 60 -14.565 -15.078 11.229 1.00 0.00 C ATOM 930 CG PRO A 60 -15.704 -16.000 11.575 1.00 0.00 C ATOM 931 CD PRO A 60 -15.236 -17.418 11.336 1.00 0.00 C ATOM 0 HA PRO A 60 -12.624 -15.649 10.332 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.423 -14.324 12.003 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -14.762 -14.546 10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -16.002 -15.866 12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -16.577 -15.777 10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.236 -18.000 12.257 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -15.882 -17.939 10.629 1.00 0.00 H new ATOM 939 N LYS A 61 -11.324 -15.448 12.271 1.00 0.00 N ATOM 940 CA LYS A 61 -10.486 -15.204 13.400 1.00 0.00 C ATOM 941 C LYS A 61 -10.280 -13.720 13.473 1.00 0.00 C ATOM 942 O LYS A 61 -9.628 -13.149 12.577 1.00 0.00 O ATOM 943 CB LYS A 61 -9.130 -15.901 13.242 1.00 0.00 C ATOM 944 CG LYS A 61 -9.206 -17.412 13.076 1.00 0.00 C ATOM 945 CD LYS A 61 -7.818 -18.037 12.950 1.00 0.00 C ATOM 946 CE LYS A 61 -6.976 -17.804 14.201 1.00 0.00 C ATOM 947 NZ LYS A 61 -5.647 -18.433 14.108 1.00 0.00 N ATOM 0 H LYS A 61 -10.904 -15.188 11.379 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.952 -15.593 14.305 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.619 -15.479 12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.517 -15.676 14.115 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.724 -17.846 13.931 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.795 -17.652 12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.916 -19.108 12.772 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.307 -17.616 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.857 -16.732 14.362 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.503 -18.200 15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.113 -18.247 14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.757 -19.459 13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.132 -18.037 13.296 1.00 0.00 H new ATOM 961 N VAL A 62 -10.857 -13.079 14.449 1.00 0.00 N ATOM 962 CA VAL A 62 -10.685 -11.656 14.614 1.00 0.00 C ATOM 963 C VAL A 62 -10.423 -11.314 16.068 1.00 0.00 C ATOM 964 O VAL A 62 -11.091 -11.832 16.975 1.00 0.00 O ATOM 965 CB VAL A 62 -11.883 -10.805 14.062 1.00 0.00 C ATOM 966 CG1 VAL A 62 -12.022 -10.935 12.549 1.00 0.00 C ATOM 967 CG2 VAL A 62 -13.197 -11.163 14.737 1.00 0.00 C ATOM 0 H VAL A 62 -11.455 -13.519 15.149 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.817 -11.389 14.011 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.651 -9.766 14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.862 -10.331 12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.107 -10.588 12.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.196 -11.979 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -13.997 -10.549 14.324 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.420 -12.216 14.563 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -13.117 -10.981 15.809 1.00 0.00 H new ATOM 977 N GLY A 63 -9.437 -10.491 16.286 1.00 0.00 N ATOM 978 CA GLY A 63 -9.117 -10.060 17.611 1.00 0.00 C ATOM 979 C GLY A 63 -9.194 -8.565 17.711 1.00 0.00 C ATOM 980 O GLY A 63 -10.118 -8.018 18.301 1.00 0.00 O ATOM 0 H GLY A 63 -8.839 -10.105 15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.806 -10.514 18.324 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.115 -10.397 17.877 1.00 0.00 H new ATOM 984 N ASN A 64 -8.252 -7.897 17.099 1.00 0.00 N ATOM 985 CA ASN A 64 -8.204 -6.436 17.129 1.00 0.00 C ATOM 986 C ASN A 64 -8.868 -5.899 15.855 1.00 0.00 C ATOM 987 O ASN A 64 -9.245 -4.730 15.765 1.00 0.00 O ATOM 988 CB ASN A 64 -6.721 -5.989 17.199 1.00 0.00 C ATOM 989 CG ASN A 64 -6.463 -4.544 17.669 1.00 0.00 C ATOM 990 OD1 ASN A 64 -5.425 -4.272 18.282 1.00 0.00 O ATOM 991 ND2 ASN A 64 -7.352 -3.633 17.401 1.00 0.00 N ATOM 0 H ASN A 64 -7.498 -8.333 16.568 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.733 -6.047 17.999 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.191 -6.666 17.869 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.280 -6.110 16.209 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.200 -2.669 17.698 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.201 -3.882 16.894 1.00 0.00 H new ATOM 998 N LEU A 65 -9.055 -6.776 14.900 1.00 0.00 N ATOM 999 CA LEU A 65 -9.565 -6.401 13.605 1.00 0.00 C ATOM 1000 C LEU A 65 -10.989 -6.854 13.423 1.00 0.00 C ATOM 1001 O LEU A 65 -11.382 -7.859 13.994 1.00 0.00 O ATOM 1002 CB LEU A 65 -8.716 -7.049 12.523 1.00 0.00 C ATOM 1003 CG LEU A 65 -7.264 -6.626 12.482 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -6.518 -7.422 11.437 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -7.159 -5.137 12.206 1.00 0.00 C ATOM 0 H LEU A 65 -8.857 -7.772 14.999 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.528 -5.314 13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.756 -8.130 12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.166 -6.830 11.555 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.809 -6.826 13.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.474 -7.108 11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.573 -8.483 11.680 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.967 -7.250 10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.109 -4.845 12.179 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.623 -4.911 11.246 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.669 -4.584 12.995 1.00 0.00 H new ATOM 1017 N PRO A 66 -11.794 -6.105 12.661 1.00 0.00 N ATOM 1018 CA PRO A 66 -13.127 -6.533 12.252 1.00 0.00 C ATOM 1019 C PRO A 66 -13.011 -7.526 11.083 1.00 0.00 C ATOM 1020 O PRO A 66 -11.899 -7.703 10.507 1.00 0.00 O ATOM 1021 CB PRO A 66 -13.806 -5.236 11.778 1.00 0.00 C ATOM 1022 CG PRO A 66 -12.853 -4.131 12.101 1.00 0.00 C ATOM 1023 CD PRO A 66 -11.498 -4.753 12.164 1.00 0.00 C ATOM 0 HA PRO A 66 -13.681 -7.029 13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.013 -5.272 10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.761 -5.088 12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.888 -3.352 11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.110 -3.661 13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.016 -4.776 11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.833 -4.210 12.835 1.00 0.00 H new ATOM 1031 N GLN A 67 -14.112 -8.173 10.723 1.00 0.00 N ATOM 1032 CA GLN A 67 -14.094 -9.158 9.658 1.00 0.00 C ATOM 1033 C GLN A 67 -13.646 -8.571 8.322 1.00 0.00 C ATOM 1034 O GLN A 67 -12.847 -9.184 7.653 1.00 0.00 O ATOM 1035 CB GLN A 67 -15.429 -9.907 9.516 1.00 0.00 C ATOM 1036 CG GLN A 67 -15.465 -10.862 8.330 1.00 0.00 C ATOM 1037 CD GLN A 67 -16.758 -11.622 8.201 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -17.416 -11.946 9.191 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -17.145 -11.893 6.984 1.00 0.00 N ATOM 0 H GLN A 67 -15.026 -8.031 11.154 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.346 -9.892 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.621 -10.468 10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.235 -9.181 9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.294 -10.296 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.644 -11.573 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.571 -11.607 6.191 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.021 -12.391 6.826 1.00 0.00 H new ATOM 1048 N TYR A 68 -14.121 -7.378 7.959 1.00 0.00 N ATOM 1049 CA TYR A 68 -13.743 -6.769 6.664 1.00 0.00 C ATOM 1050 C TYR A 68 -12.221 -6.633 6.449 1.00 0.00 C ATOM 1051 O TYR A 68 -11.725 -6.893 5.342 1.00 0.00 O ATOM 1052 CB TYR A 68 -14.512 -5.459 6.333 1.00 0.00 C ATOM 1053 CG TYR A 68 -14.516 -4.373 7.397 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -13.390 -3.610 7.676 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -15.666 -4.110 8.118 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -13.418 -2.624 8.642 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -15.700 -3.132 9.079 1.00 0.00 C ATOM 1058 CZ TYR A 68 -14.579 -2.395 9.340 1.00 0.00 C ATOM 1059 OH TYR A 68 -14.620 -1.425 10.308 1.00 0.00 O ATOM 0 H TYR A 68 -14.757 -6.816 8.525 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.076 -7.501 5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -14.088 -5.038 5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.547 -5.720 6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.477 -3.791 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.557 -4.687 7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.535 -2.038 8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.611 -2.945 9.628 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.517 -1.394 10.702 1.00 0.00 H new ATOM 1069 N GLU A 69 -11.484 -6.283 7.499 1.00 0.00 N ATOM 1070 CA GLU A 69 -10.028 -6.175 7.391 1.00 0.00 C ATOM 1071 C GLU A 69 -9.417 -7.570 7.249 1.00 0.00 C ATOM 1072 O GLU A 69 -8.530 -7.803 6.437 1.00 0.00 O ATOM 1073 CB GLU A 69 -9.425 -5.482 8.615 1.00 0.00 C ATOM 1074 CG GLU A 69 -9.850 -4.034 8.841 1.00 0.00 C ATOM 1075 CD GLU A 69 -9.502 -3.096 7.692 1.00 0.00 C ATOM 1076 OE1 GLU A 69 -8.374 -3.153 7.157 1.00 0.00 O ATOM 1077 OE2 GLU A 69 -10.354 -2.285 7.319 1.00 0.00 O ATOM 0 H GLU A 69 -11.861 -6.072 8.423 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.801 -5.574 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.688 -6.060 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.339 -5.511 8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.927 -4.004 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.378 -3.666 9.752 1.00 0.00 H new ATOM 1084 N SER A 70 -9.946 -8.509 8.010 1.00 0.00 N ATOM 1085 CA SER A 70 -9.442 -9.866 7.996 1.00 0.00 C ATOM 1086 C SER A 70 -9.853 -10.613 6.713 1.00 0.00 C ATOM 1087 O SER A 70 -9.192 -11.556 6.311 1.00 0.00 O ATOM 1088 CB SER A 70 -9.875 -10.613 9.260 1.00 0.00 C ATOM 1089 OG SER A 70 -9.365 -9.956 10.431 1.00 0.00 O ATOM 0 H SER A 70 -10.727 -8.355 8.647 1.00 0.00 H new ATOM 0 HA SER A 70 -8.353 -9.823 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.963 -10.660 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.512 -11.640 9.225 1.00 0.00 H new ATOM 0 HG SER A 70 -9.958 -9.215 10.675 1.00 0.00 H new ATOM 1095 N GLU A 71 -10.940 -10.169 6.095 1.00 0.00 N ATOM 1096 CA GLU A 71 -11.448 -10.714 4.836 1.00 0.00 C ATOM 1097 C GLU A 71 -10.385 -10.504 3.773 1.00 0.00 C ATOM 1098 O GLU A 71 -10.051 -11.417 3.016 1.00 0.00 O ATOM 1099 CB GLU A 71 -12.714 -9.938 4.444 1.00 0.00 C ATOM 1100 CG GLU A 71 -13.558 -10.574 3.360 1.00 0.00 C ATOM 1101 CD GLU A 71 -14.235 -11.819 3.846 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -15.215 -11.707 4.634 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -13.809 -12.933 3.500 1.00 0.00 O ATOM 0 H GLU A 71 -11.507 -9.404 6.460 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.681 -11.774 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.331 -9.811 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.421 -8.941 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.308 -9.861 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.930 -10.812 2.502 1.00 0.00 H new ATOM 1110 N ALA A 72 -9.826 -9.295 3.762 1.00 0.00 N ATOM 1111 CA ALA A 72 -8.769 -8.942 2.833 1.00 0.00 C ATOM 1112 C ALA A 72 -7.552 -9.822 3.080 1.00 0.00 C ATOM 1113 O ALA A 72 -6.982 -10.384 2.146 1.00 0.00 O ATOM 1114 CB ALA A 72 -8.414 -7.472 2.975 1.00 0.00 C ATOM 0 H ALA A 72 -10.095 -8.541 4.395 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.116 -9.109 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.620 -7.220 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.293 -6.863 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.074 -7.276 3.992 1.00 0.00 H new ATOM 1120 N ILE A 73 -7.184 -9.955 4.349 1.00 0.00 N ATOM 1121 CA ILE A 73 -6.079 -10.825 4.767 1.00 0.00 C ATOM 1122 C ILE A 73 -6.303 -12.275 4.294 1.00 0.00 C ATOM 1123 O ILE A 73 -5.388 -12.911 3.775 1.00 0.00 O ATOM 1124 CB ILE A 73 -5.898 -10.820 6.312 1.00 0.00 C ATOM 1125 CG1 ILE A 73 -5.645 -9.398 6.818 1.00 0.00 C ATOM 1126 CG2 ILE A 73 -4.757 -11.752 6.735 1.00 0.00 C ATOM 1127 CD1 ILE A 73 -5.490 -9.302 8.320 1.00 0.00 C ATOM 0 H ILE A 73 -7.639 -9.466 5.120 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.176 -10.427 4.304 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.820 -11.189 6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.744 -9.009 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.471 -8.759 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.652 -11.730 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.980 -12.769 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.827 -11.421 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.314 -8.264 8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.399 -9.660 8.803 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.645 -9.913 8.638 1.00 0.00 H new ATOM 1139 N MET A 74 -7.526 -12.774 4.460 1.00 0.00 N ATOM 1140 CA MET A 74 -7.870 -14.143 4.059 1.00 0.00 C ATOM 1141 C MET A 74 -7.669 -14.343 2.575 1.00 0.00 C ATOM 1142 O MET A 74 -7.015 -15.297 2.157 1.00 0.00 O ATOM 1143 CB MET A 74 -9.308 -14.527 4.454 1.00 0.00 C ATOM 1144 CG MET A 74 -9.607 -14.631 5.960 1.00 0.00 C ATOM 1145 SD MET A 74 -8.987 -16.137 6.802 1.00 0.00 S ATOM 1146 CE MET A 74 -7.198 -15.961 6.737 1.00 0.00 C ATOM 0 H MET A 74 -8.300 -12.252 4.870 1.00 0.00 H new ATOM 0 HA MET A 74 -7.192 -14.803 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.987 -13.792 4.022 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.543 -15.487 3.994 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.179 -13.760 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.687 -14.579 6.100 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.759 -16.373 7.645 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.811 -16.498 5.871 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.939 -14.905 6.655 1.00 0.00 H new ATOM 1156 N VAL A 75 -8.192 -13.424 1.783 1.00 0.00 N ATOM 1157 CA VAL A 75 -8.059 -13.504 0.337 1.00 0.00 C ATOM 1158 C VAL A 75 -6.585 -13.372 -0.079 1.00 0.00 C ATOM 1159 O VAL A 75 -6.114 -14.076 -0.978 1.00 0.00 O ATOM 1160 CB VAL A 75 -8.943 -12.441 -0.382 1.00 0.00 C ATOM 1161 CG1 VAL A 75 -8.797 -12.525 -1.895 1.00 0.00 C ATOM 1162 CG2 VAL A 75 -10.399 -12.630 0.005 1.00 0.00 C ATOM 0 H VAL A 75 -8.713 -12.613 2.116 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.417 -14.485 0.024 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.605 -11.455 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.427 -11.769 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.757 -12.351 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.102 -13.514 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.010 -11.883 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.727 -13.627 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.507 -12.516 1.084 1.00 0.00 H new ATOM 1172 N ALA A 76 -5.855 -12.511 0.612 1.00 0.00 N ATOM 1173 CA ALA A 76 -4.438 -12.313 0.345 1.00 0.00 C ATOM 1174 C ALA A 76 -3.630 -13.562 0.676 1.00 0.00 C ATOM 1175 O ALA A 76 -2.687 -13.897 -0.029 1.00 0.00 O ATOM 1176 CB ALA A 76 -3.908 -11.115 1.105 1.00 0.00 C ATOM 0 H ALA A 76 -6.223 -11.934 1.368 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.328 -12.118 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.847 -10.987 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.451 -10.221 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.044 -11.273 2.175 1.00 0.00 H new ATOM 1182 N PHE A 77 -4.017 -14.250 1.732 1.00 0.00 N ATOM 1183 CA PHE A 77 -3.363 -15.490 2.141 1.00 0.00 C ATOM 1184 C PHE A 77 -3.696 -16.603 1.152 1.00 0.00 C ATOM 1185 O PHE A 77 -2.837 -17.401 0.776 1.00 0.00 O ATOM 1186 CB PHE A 77 -3.808 -15.877 3.566 1.00 0.00 C ATOM 1187 CG PHE A 77 -3.178 -17.139 4.103 1.00 0.00 C ATOM 1188 CD1 PHE A 77 -1.903 -17.118 4.641 1.00 0.00 C ATOM 1189 CD2 PHE A 77 -3.867 -18.345 4.074 1.00 0.00 C ATOM 1190 CE1 PHE A 77 -1.325 -18.270 5.138 1.00 0.00 C ATOM 1191 CE2 PHE A 77 -3.294 -19.498 4.568 1.00 0.00 C ATOM 1192 CZ PHE A 77 -2.022 -19.462 5.101 1.00 0.00 C ATOM 0 H PHE A 77 -4.792 -13.971 2.334 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.283 -15.341 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.573 -15.054 4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.891 -15.996 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.353 -16.189 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.864 -18.380 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.329 -18.239 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.841 -20.429 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.572 -20.364 5.489 1.00 0.00 H new ATOM 1202 N GLU A 78 -4.937 -16.625 0.733 1.00 0.00 N ATOM 1203 CA GLU A 78 -5.456 -17.594 -0.211 1.00 0.00 C ATOM 1204 C GLU A 78 -4.769 -17.459 -1.594 1.00 0.00 C ATOM 1205 O GLU A 78 -4.340 -18.450 -2.196 1.00 0.00 O ATOM 1206 CB GLU A 78 -6.980 -17.392 -0.295 1.00 0.00 C ATOM 1207 CG GLU A 78 -7.716 -18.229 -1.314 1.00 0.00 C ATOM 1208 CD GLU A 78 -7.492 -19.709 -1.165 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -8.167 -20.346 -0.346 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -6.682 -20.267 -1.914 1.00 0.00 O ATOM 0 H GLU A 78 -5.637 -15.952 1.046 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.241 -18.608 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.406 -17.598 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.173 -16.342 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.784 -18.024 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.405 -17.923 -2.313 1.00 0.00 H new ATOM 1217 N LEU A 79 -4.629 -16.246 -2.065 1.00 0.00 N ATOM 1218 CA LEU A 79 -4.021 -16.006 -3.373 1.00 0.00 C ATOM 1219 C LEU A 79 -2.511 -15.942 -3.285 1.00 0.00 C ATOM 1220 O LEU A 79 -1.828 -16.048 -4.306 1.00 0.00 O ATOM 1221 CB LEU A 79 -4.521 -14.681 -3.954 1.00 0.00 C ATOM 1222 CG LEU A 79 -6.016 -14.572 -4.218 1.00 0.00 C ATOM 1223 CD1 LEU A 79 -6.368 -13.166 -4.673 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -6.444 -15.577 -5.266 1.00 0.00 C ATOM 0 H LEU A 79 -4.923 -15.403 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.307 -16.839 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.237 -13.881 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.996 -14.501 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.546 -14.787 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.440 -13.101 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.090 -12.452 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.826 -12.934 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.516 -15.485 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.906 -15.386 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.219 -16.585 -4.917 1.00 0.00 H new ATOM 1236 N ASN A 80 -2.004 -15.794 -2.063 1.00 0.00 N ATOM 1237 CA ASN A 80 -0.582 -15.495 -1.815 1.00 0.00 C ATOM 1238 C ASN A 80 -0.253 -14.217 -2.533 1.00 0.00 C ATOM 1239 O ASN A 80 0.543 -14.163 -3.480 1.00 0.00 O ATOM 1240 CB ASN A 80 0.388 -16.642 -2.183 1.00 0.00 C ATOM 1241 CG ASN A 80 0.307 -17.822 -1.230 1.00 0.00 C ATOM 1242 OD1 ASN A 80 -0.467 -18.766 -1.436 1.00 0.00 O ATOM 1243 ND2 ASN A 80 1.097 -17.790 -0.181 1.00 0.00 N ATOM 0 H ASN A 80 -2.561 -15.877 -1.213 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.438 -15.381 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.169 -16.984 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.408 -16.258 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.083 -18.557 0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.724 -16.998 -0.039 1.00 0.00 H new ATOM 1250 N ALA A 81 -0.960 -13.206 -2.131 1.00 0.00 N ATOM 1251 CA ALA A 81 -0.937 -11.936 -2.770 1.00 0.00 C ATOM 1252 C ALA A 81 -0.226 -10.914 -1.927 1.00 0.00 C ATOM 1253 O ALA A 81 0.178 -11.194 -0.803 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.364 -11.495 -3.025 1.00 0.00 C ATOM 0 H ALA A 81 -1.585 -13.248 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.395 -12.023 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.362 -10.521 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.861 -12.223 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.897 -11.423 -2.077 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.078 -9.749 -2.476 1.00 0.00 N ATOM 1261 CA LEU A 82 0.517 -8.632 -1.811 1.00 0.00 C ATOM 1262 C LEU A 82 -0.644 -7.936 -1.119 1.00 0.00 C ATOM 1263 O LEU A 82 -1.708 -7.797 -1.717 1.00 0.00 O ATOM 1264 CB LEU A 82 1.170 -7.727 -2.901 1.00 0.00 C ATOM 1265 CG LEU A 82 2.136 -6.595 -2.476 1.00 0.00 C ATOM 1266 CD1 LEU A 82 1.450 -5.496 -1.698 1.00 0.00 C ATOM 1267 CD2 LEU A 82 3.305 -7.151 -1.694 1.00 0.00 C ATOM 0 H LEU A 82 -0.377 -9.543 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 82 1.292 -8.893 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.713 -8.380 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.362 -7.269 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 82 2.507 -6.143 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.179 -4.732 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.667 -5.050 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.009 -5.912 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.970 -6.337 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.938 -7.654 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.850 -7.864 -2.312 1.00 0.00 H new ATOM 1279 N LEU A 83 -0.488 -7.547 0.109 1.00 0.00 N ATOM 1280 CA LEU A 83 -1.585 -6.923 0.802 1.00 0.00 C ATOM 1281 C LEU A 83 -1.301 -5.457 1.043 1.00 0.00 C ATOM 1282 O LEU A 83 -0.263 -5.091 1.600 1.00 0.00 O ATOM 1283 CB LEU A 83 -1.902 -7.641 2.120 1.00 0.00 C ATOM 1284 CG LEU A 83 -3.144 -7.138 2.876 1.00 0.00 C ATOM 1285 CD1 LEU A 83 -4.411 -7.402 2.086 1.00 0.00 C ATOM 1286 CD2 LEU A 83 -3.241 -7.774 4.239 1.00 0.00 C ATOM 0 H LEU A 83 0.371 -7.646 0.649 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.466 -7.003 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.033 -8.703 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.038 -7.550 2.778 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.036 -6.061 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.272 -7.036 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.356 -6.887 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.518 -8.473 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.127 -7.401 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.312 -8.856 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.353 -7.525 4.821 1.00 0.00 H new ATOM 1298 N ILE A 84 -2.202 -4.634 0.599 1.00 0.00 N ATOM 1299 CA ILE A 84 -2.106 -3.212 0.780 1.00 0.00 C ATOM 1300 C ILE A 84 -2.966 -2.863 1.978 1.00 0.00 C ATOM 1301 O ILE A 84 -4.206 -2.981 1.916 1.00 0.00 O ATOM 1302 CB ILE A 84 -2.639 -2.467 -0.465 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -1.973 -3.025 -1.732 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.371 -0.963 -0.335 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -2.545 -2.482 -3.018 1.00 0.00 C ATOM 0 H ILE A 84 -3.036 -4.932 0.094 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.067 -2.918 0.930 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.716 -2.620 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.907 -2.801 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.071 -4.111 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.751 -0.448 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.873 -0.579 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.298 -0.791 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.021 -2.925 -3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.605 -2.729 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.423 -1.399 -3.042 1.00 0.00 H new ATOM 1317 N ALA A 85 -2.342 -2.478 3.058 1.00 0.00 N ATOM 1318 CA ALA A 85 -3.061 -2.231 4.278 1.00 0.00 C ATOM 1319 C ALA A 85 -2.493 -1.050 5.018 1.00 0.00 C ATOM 1320 O ALA A 85 -1.301 -0.802 4.971 1.00 0.00 O ATOM 1321 CB ALA A 85 -3.005 -3.460 5.158 1.00 0.00 C ATOM 0 H ALA A 85 -1.335 -2.328 3.118 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.097 -2.005 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.551 -3.271 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.458 -4.303 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.966 -3.693 5.391 1.00 0.00 H new ATOM 1327 N GLU A 86 -3.352 -0.326 5.687 1.00 0.00 N ATOM 1328 CA GLU A 86 -2.936 0.812 6.490 1.00 0.00 C ATOM 1329 C GLU A 86 -3.063 0.513 7.962 1.00 0.00 C ATOM 1330 O GLU A 86 -2.433 1.166 8.797 1.00 0.00 O ATOM 1331 CB GLU A 86 -3.771 2.031 6.159 1.00 0.00 C ATOM 1332 CG GLU A 86 -3.415 2.686 4.856 1.00 0.00 C ATOM 1333 CD GLU A 86 -2.044 3.310 4.900 1.00 0.00 C ATOM 1334 OE1 GLU A 86 -1.878 4.341 5.588 1.00 0.00 O ATOM 1335 OE2 GLU A 86 -1.112 2.819 4.235 1.00 0.00 O ATOM 0 H GLU A 86 -4.357 -0.501 5.696 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.890 1.012 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.821 1.741 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.662 2.761 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.453 1.947 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.155 3.451 4.619 1.00 0.00 H new ATOM 1342 N ASP A 87 -3.871 -0.465 8.284 1.00 0.00 N ATOM 1343 CA ASP A 87 -4.121 -0.787 9.669 1.00 0.00 C ATOM 1344 C ASP A 87 -2.967 -1.598 10.217 1.00 0.00 C ATOM 1345 O ASP A 87 -2.529 -2.581 9.595 1.00 0.00 O ATOM 1346 CB ASP A 87 -5.430 -1.544 9.831 1.00 0.00 C ATOM 1347 CG ASP A 87 -5.846 -1.679 11.277 1.00 0.00 C ATOM 1348 OD1 ASP A 87 -5.180 -2.390 12.054 1.00 0.00 O ATOM 1349 OD2 ASP A 87 -6.818 -1.015 11.679 1.00 0.00 O ATOM 0 H ASP A 87 -4.366 -1.051 7.611 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.207 0.143 10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.215 -1.029 9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.329 -2.536 9.391 1.00 0.00 H new ATOM 1354 N LYS A 88 -2.503 -1.205 11.379 1.00 0.00 N ATOM 1355 CA LYS A 88 -1.327 -1.774 11.999 1.00 0.00 C ATOM 1356 C LYS A 88 -1.474 -3.249 12.336 1.00 0.00 C ATOM 1357 O LYS A 88 -0.500 -4.009 12.216 1.00 0.00 O ATOM 1358 CB LYS A 88 -0.947 -0.988 13.242 1.00 0.00 C ATOM 1359 CG LYS A 88 -0.645 0.480 12.972 1.00 0.00 C ATOM 1360 CD LYS A 88 -0.254 1.214 14.244 1.00 0.00 C ATOM 1361 CE LYS A 88 1.041 0.672 14.844 1.00 0.00 C ATOM 1362 NZ LYS A 88 2.199 0.809 13.926 1.00 0.00 N ATOM 0 H LYS A 88 -2.939 -0.467 11.932 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.529 -1.702 11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.759 -1.055 13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.073 -1.451 13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.162 0.558 12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.520 0.957 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.136 2.276 14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.057 1.125 14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.255 1.200 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.907 -0.379 15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.078 0.602 14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.096 0.141 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.236 1.780 13.556 1.00 0.00 H new ATOM 1376 N ASP A 89 -2.669 -3.684 12.734 1.00 0.00 N ATOM 1377 CA ASP A 89 -2.827 -5.090 13.096 1.00 0.00 C ATOM 1378 C ASP A 89 -3.006 -5.919 11.847 1.00 0.00 C ATOM 1379 O ASP A 89 -2.594 -7.058 11.804 1.00 0.00 O ATOM 1380 CB ASP A 89 -3.951 -5.347 14.132 1.00 0.00 C ATOM 1381 CG ASP A 89 -3.981 -6.804 14.649 1.00 0.00 C ATOM 1382 OD1 ASP A 89 -2.931 -7.312 15.128 1.00 0.00 O ATOM 1383 OD2 ASP A 89 -5.051 -7.469 14.610 1.00 0.00 O ATOM 0 H ASP A 89 -3.509 -3.111 12.812 1.00 0.00 H new ATOM 0 HA ASP A 89 -1.912 -5.398 13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.819 -4.671 14.977 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.914 -5.109 13.680 1.00 0.00 H new ATOM 1388 N VAL A 90 -3.564 -5.306 10.798 1.00 0.00 N ATOM 1389 CA VAL A 90 -3.717 -5.979 9.499 1.00 0.00 C ATOM 1390 C VAL A 90 -2.346 -6.302 8.928 1.00 0.00 C ATOM 1391 O VAL A 90 -2.075 -7.452 8.547 1.00 0.00 O ATOM 1392 CB VAL A 90 -4.513 -5.123 8.466 1.00 0.00 C ATOM 1393 CG1 VAL A 90 -4.606 -5.831 7.124 1.00 0.00 C ATOM 1394 CG2 VAL A 90 -5.899 -4.845 8.965 1.00 0.00 C ATOM 0 H VAL A 90 -3.917 -4.349 10.820 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.287 -6.891 9.677 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.974 -4.184 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.166 -5.211 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.603 -6.004 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.116 -6.786 7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.437 -4.247 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.425 -5.787 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.844 -4.299 9.907 1.00 0.00 H new ATOM 1404 N ILE A 91 -1.476 -5.289 8.910 1.00 0.00 N ATOM 1405 CA ILE A 91 -0.114 -5.436 8.421 1.00 0.00 C ATOM 1406 C ILE A 91 0.608 -6.527 9.208 1.00 0.00 C ATOM 1407 O ILE A 91 1.214 -7.426 8.624 1.00 0.00 O ATOM 1408 CB ILE A 91 0.670 -4.094 8.517 1.00 0.00 C ATOM 1409 CG1 ILE A 91 -0.009 -3.020 7.652 1.00 0.00 C ATOM 1410 CG2 ILE A 91 2.133 -4.280 8.089 1.00 0.00 C ATOM 1411 CD1 ILE A 91 0.589 -1.635 7.795 1.00 0.00 C ATOM 0 H ILE A 91 -1.701 -4.348 9.234 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.160 -5.722 7.370 1.00 0.00 H new ATOM 0 HB ILE A 91 0.661 -3.767 9.557 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.049 -3.322 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.066 -2.975 7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.658 -3.328 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.612 -5.012 8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.169 -4.632 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.052 -0.938 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.507 -1.308 8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.639 -1.661 7.505 1.00 0.00 H new ATOM 1423 N ASN A 92 0.486 -6.466 10.523 1.00 0.00 N ATOM 1424 CA ASN A 92 1.120 -7.435 11.414 1.00 0.00 C ATOM 1425 C ASN A 92 0.577 -8.854 11.187 1.00 0.00 C ATOM 1426 O ASN A 92 1.341 -9.766 10.889 1.00 0.00 O ATOM 1427 CB ASN A 92 0.936 -7.008 12.884 1.00 0.00 C ATOM 1428 CG ASN A 92 1.537 -7.988 13.887 1.00 0.00 C ATOM 1429 OD1 ASN A 92 2.720 -7.897 14.238 1.00 0.00 O ATOM 1430 ND2 ASN A 92 0.727 -8.889 14.390 1.00 0.00 N ATOM 0 H ASN A 92 -0.053 -5.747 11.006 1.00 0.00 H new ATOM 0 HA ASN A 92 2.185 -7.454 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.392 -6.029 13.028 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.129 -6.898 13.091 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.067 -9.544 15.094 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.243 -8.935 14.077 1.00 0.00 H new ATOM 1437 N LYS A 93 -0.745 -8.999 11.274 1.00 0.00 N ATOM 1438 CA LYS A 93 -1.452 -10.284 11.160 1.00 0.00 C ATOM 1439 C LYS A 93 -1.119 -10.981 9.866 1.00 0.00 C ATOM 1440 O LYS A 93 -0.714 -12.146 9.873 1.00 0.00 O ATOM 1441 CB LYS A 93 -2.951 -10.019 11.255 1.00 0.00 C ATOM 1442 CG LYS A 93 -3.845 -11.234 11.360 1.00 0.00 C ATOM 1443 CD LYS A 93 -5.259 -10.775 11.637 1.00 0.00 C ATOM 1444 CE LYS A 93 -6.231 -11.917 11.791 1.00 0.00 C ATOM 1445 NZ LYS A 93 -7.571 -11.429 12.205 1.00 0.00 N ATOM 0 H LYS A 93 -1.373 -8.210 11.429 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.135 -10.942 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.131 -9.386 12.124 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.253 -9.448 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.809 -11.810 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.498 -11.890 12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.268 -10.173 12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.591 -10.130 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.313 -12.458 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.853 -12.622 12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.175 -12.239 12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.473 -10.807 13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.004 -10.899 11.422 1.00 0.00 H new ATOM 1459 N ALA A 94 -1.252 -10.266 8.776 1.00 0.00 N ATOM 1460 CA ALA A 94 -0.980 -10.816 7.471 1.00 0.00 C ATOM 1461 C ALA A 94 0.489 -11.188 7.324 1.00 0.00 C ATOM 1462 O ALA A 94 0.817 -12.243 6.774 1.00 0.00 O ATOM 1463 CB ALA A 94 -1.391 -9.841 6.400 1.00 0.00 C ATOM 0 H ALA A 94 -1.550 -9.291 8.768 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.565 -11.729 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.181 -10.268 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.458 -9.636 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.832 -8.913 6.519 1.00 0.00 H new ATOM 1469 N LYS A 95 1.367 -10.353 7.863 1.00 0.00 N ATOM 1470 CA LYS A 95 2.793 -10.583 7.764 1.00 0.00 C ATOM 1471 C LYS A 95 3.199 -11.843 8.517 1.00 0.00 C ATOM 1472 O LYS A 95 4.019 -12.626 8.022 1.00 0.00 O ATOM 1473 CB LYS A 95 3.578 -9.349 8.211 1.00 0.00 C ATOM 1474 CG LYS A 95 5.092 -9.455 8.048 1.00 0.00 C ATOM 1475 CD LYS A 95 5.751 -8.082 8.076 1.00 0.00 C ATOM 1476 CE LYS A 95 5.397 -7.256 6.826 1.00 0.00 C ATOM 1477 NZ LYS A 95 5.990 -7.816 5.579 1.00 0.00 N ATOM 0 H LYS A 95 1.111 -9.508 8.374 1.00 0.00 H new ATOM 0 HA LYS A 95 3.044 -10.753 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.226 -8.487 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.353 -9.154 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.503 -10.074 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.324 -9.953 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.434 -7.544 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.833 -8.199 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.313 -7.212 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.746 -6.232 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.639 -7.283 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.026 -7.741 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.719 -8.816 5.484 1.00 0.00 H new ATOM 1491 N GLU A 96 2.579 -12.069 9.676 1.00 0.00 N ATOM 1492 CA GLU A 96 2.820 -13.281 10.462 1.00 0.00 C ATOM 1493 C GLU A 96 2.392 -14.497 9.671 1.00 0.00 C ATOM 1494 O GLU A 96 3.059 -15.528 9.678 1.00 0.00 O ATOM 1495 CB GLU A 96 2.015 -13.285 11.741 1.00 0.00 C ATOM 1496 CG GLU A 96 2.259 -12.142 12.679 1.00 0.00 C ATOM 1497 CD GLU A 96 1.438 -12.306 13.914 1.00 0.00 C ATOM 1498 OE1 GLU A 96 0.240 -11.999 13.885 1.00 0.00 O ATOM 1499 OE2 GLU A 96 1.974 -12.794 14.938 1.00 0.00 O ATOM 0 H GLU A 96 1.904 -11.427 10.092 1.00 0.00 H new ATOM 0 HA GLU A 96 3.885 -13.304 10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.957 -13.294 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.220 -14.214 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.316 -12.095 12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.009 -11.201 12.190 1.00 0.00 H new ATOM 1506 N LEU A 97 1.293 -14.352 8.962 1.00 0.00 N ATOM 1507 CA LEU A 97 0.721 -15.435 8.182 1.00 0.00 C ATOM 1508 C LEU A 97 1.561 -15.729 6.928 1.00 0.00 C ATOM 1509 O LEU A 97 1.395 -16.757 6.283 1.00 0.00 O ATOM 1510 CB LEU A 97 -0.734 -15.113 7.818 1.00 0.00 C ATOM 1511 CG LEU A 97 -1.690 -14.872 9.008 1.00 0.00 C ATOM 1512 CD1 LEU A 97 -3.095 -14.587 8.512 1.00 0.00 C ATOM 1513 CD2 LEU A 97 -1.695 -16.072 9.946 1.00 0.00 C ATOM 0 H LEU A 97 0.768 -13.479 8.908 1.00 0.00 H new ATOM 0 HA LEU A 97 0.731 -16.339 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.742 -14.226 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.129 -15.934 7.220 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.333 -14.003 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.755 -14.420 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.085 -13.698 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.457 -15.438 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.374 -15.882 10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.025 -16.957 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.689 -16.237 10.331 1.00 0.00 H new ATOM 1525 N GLY A 98 2.466 -14.829 6.607 1.00 0.00 N ATOM 1526 CA GLY A 98 3.347 -15.036 5.479 1.00 0.00 C ATOM 1527 C GLY A 98 2.982 -14.176 4.304 1.00 0.00 C ATOM 1528 O GLY A 98 3.570 -14.283 3.231 1.00 0.00 O ATOM 0 H GLY A 98 2.610 -13.952 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.373 -14.822 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.314 -16.084 5.183 1.00 0.00 H new ATOM 1532 N VAL A 99 2.030 -13.318 4.499 1.00 0.00 N ATOM 1533 CA VAL A 99 1.586 -12.424 3.463 1.00 0.00 C ATOM 1534 C VAL A 99 2.361 -11.130 3.599 1.00 0.00 C ATOM 1535 O VAL A 99 2.616 -10.665 4.719 1.00 0.00 O ATOM 1536 CB VAL A 99 0.064 -12.134 3.594 1.00 0.00 C ATOM 1537 CG1 VAL A 99 -0.430 -11.207 2.493 1.00 0.00 C ATOM 1538 CG2 VAL A 99 -0.732 -13.426 3.597 1.00 0.00 C ATOM 0 H VAL A 99 1.533 -13.213 5.384 1.00 0.00 H new ATOM 0 HA VAL A 99 1.759 -12.881 2.489 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.089 -11.627 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.498 -11.029 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.105 -10.259 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.252 -11.668 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.794 -13.199 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.556 -13.964 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.419 -14.044 4.438 1.00 0.00 H new ATOM 1548 N ASN A 100 2.800 -10.577 2.515 1.00 0.00 N ATOM 1549 CA ASN A 100 3.492 -9.329 2.586 1.00 0.00 C ATOM 1550 C ASN A 100 2.509 -8.190 2.550 1.00 0.00 C ATOM 1551 O ASN A 100 2.000 -7.811 1.495 1.00 0.00 O ATOM 1552 CB ASN A 100 4.560 -9.165 1.504 1.00 0.00 C ATOM 1553 CG ASN A 100 5.348 -7.874 1.694 1.00 0.00 C ATOM 1554 OD1 ASN A 100 5.530 -7.395 2.834 1.00 0.00 O ATOM 1555 ND2 ASN A 100 5.834 -7.319 0.616 1.00 0.00 N ATOM 0 H ASN A 100 2.694 -10.964 1.577 1.00 0.00 H new ATOM 0 HA ASN A 100 4.026 -9.318 3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.241 -10.016 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.088 -9.164 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.385 -6.463 0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.663 -7.741 -0.297 1.00 0.00 H new ATOM 1562 N ALA A 101 2.178 -7.718 3.715 1.00 0.00 N ATOM 1563 CA ALA A 101 1.315 -6.588 3.862 1.00 0.00 C ATOM 1564 C ALA A 101 2.157 -5.355 4.050 1.00 0.00 C ATOM 1565 O ALA A 101 3.056 -5.330 4.910 1.00 0.00 O ATOM 1566 CB ALA A 101 0.388 -6.782 5.042 1.00 0.00 C ATOM 0 H ALA A 101 2.504 -8.112 4.598 1.00 0.00 H new ATOM 0 HA ALA A 101 0.701 -6.477 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.263 -5.913 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.219 -7.674 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.977 -6.899 5.952 1.00 0.00 H new ATOM 1572 N ILE A 102 1.909 -4.368 3.247 1.00 0.00 N ATOM 1573 CA ILE A 102 2.631 -3.130 3.298 1.00 0.00 C ATOM 1574 C ILE A 102 1.671 -1.943 3.228 1.00 0.00 C ATOM 1575 O ILE A 102 0.550 -2.083 2.712 1.00 0.00 O ATOM 1576 CB ILE A 102 3.755 -3.045 2.186 1.00 0.00 C ATOM 1577 CG1 ILE A 102 3.254 -3.433 0.774 1.00 0.00 C ATOM 1578 CG2 ILE A 102 4.976 -3.871 2.561 1.00 0.00 C ATOM 1579 CD1 ILE A 102 2.367 -2.413 0.095 1.00 0.00 C ATOM 0 H ILE A 102 1.189 -4.398 2.526 1.00 0.00 H new ATOM 0 HA ILE A 102 3.147 -3.090 4.257 1.00 0.00 H new ATOM 0 HB ILE A 102 4.041 -1.994 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.120 -3.617 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.707 -4.373 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.726 -3.789 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.391 -3.502 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.687 -4.915 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.072 -2.783 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.477 -2.244 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.912 -1.476 -0.019 1.00 0.00 H new ATOM 1591 N PRO A 103 2.055 -0.792 3.797 1.00 0.00 N ATOM 1592 CA PRO A 103 1.251 0.427 3.717 1.00 0.00 C ATOM 1593 C PRO A 103 1.162 0.969 2.285 1.00 0.00 C ATOM 1594 O PRO A 103 1.982 0.626 1.410 1.00 0.00 O ATOM 1595 CB PRO A 103 2.012 1.427 4.601 1.00 0.00 C ATOM 1596 CG PRO A 103 2.906 0.598 5.443 1.00 0.00 C ATOM 1597 CD PRO A 103 3.259 -0.594 4.616 1.00 0.00 C ATOM 0 HA PRO A 103 0.223 0.249 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.582 2.132 3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.326 2.013 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.799 1.154 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.408 0.300 6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.141 -0.413 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 103 3.475 -1.465 5.234 1.00 0.00 H new ATOM 1605 N ILE A 104 0.201 1.842 2.078 1.00 0.00 N ATOM 1606 CA ILE A 104 -0.079 2.487 0.795 1.00 0.00 C ATOM 1607 C ILE A 104 1.158 3.152 0.191 1.00 0.00 C ATOM 1608 O ILE A 104 1.442 2.990 -1.001 1.00 0.00 O ATOM 1609 CB ILE A 104 -1.210 3.529 0.979 1.00 0.00 C ATOM 1610 CG1 ILE A 104 -2.533 2.812 1.223 1.00 0.00 C ATOM 1611 CG2 ILE A 104 -1.314 4.507 -0.194 1.00 0.00 C ATOM 1612 CD1 ILE A 104 -3.657 3.740 1.563 1.00 0.00 C ATOM 0 H ILE A 104 -0.434 2.139 2.818 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.393 1.711 0.097 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.963 4.135 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.799 2.242 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.405 2.095 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.124 5.213 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.375 5.051 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.517 3.955 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.568 3.164 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.411 4.292 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.811 4.441 0.743 1.00 0.00 H new ATOM 1624 N GLU A 105 1.906 3.846 1.017 1.00 0.00 N ATOM 1625 CA GLU A 105 3.078 4.572 0.571 1.00 0.00 C ATOM 1626 C GLU A 105 4.161 3.613 0.068 1.00 0.00 C ATOM 1627 O GLU A 105 4.929 3.947 -0.823 1.00 0.00 O ATOM 1628 CB GLU A 105 3.600 5.452 1.700 1.00 0.00 C ATOM 1629 CG GLU A 105 4.719 6.401 1.310 1.00 0.00 C ATOM 1630 CD GLU A 105 4.313 7.356 0.214 1.00 0.00 C ATOM 1631 OE1 GLU A 105 3.226 7.961 0.313 1.00 0.00 O ATOM 1632 OE2 GLU A 105 5.092 7.569 -0.725 1.00 0.00 O ATOM 0 H GLU A 105 1.721 3.925 2.017 1.00 0.00 H new ATOM 0 HA GLU A 105 2.798 5.211 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.770 6.037 2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.953 4.810 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.030 6.970 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.583 5.823 0.982 1.00 0.00 H new ATOM 1639 N GLU A 106 4.170 2.404 0.597 1.00 0.00 N ATOM 1640 CA GLU A 106 5.138 1.408 0.184 1.00 0.00 C ATOM 1641 C GLU A 106 4.749 0.817 -1.149 1.00 0.00 C ATOM 1642 O GLU A 106 5.600 0.462 -1.958 1.00 0.00 O ATOM 1643 CB GLU A 106 5.270 0.320 1.231 1.00 0.00 C ATOM 1644 CG GLU A 106 5.859 0.810 2.526 1.00 0.00 C ATOM 1645 CD GLU A 106 7.189 1.468 2.312 1.00 0.00 C ATOM 1646 OE1 GLU A 106 8.211 0.752 2.200 1.00 0.00 O ATOM 1647 OE2 GLU A 106 7.241 2.710 2.250 1.00 0.00 O ATOM 0 H GLU A 106 3.517 2.089 1.314 1.00 0.00 H new ATOM 0 HA GLU A 106 6.107 1.896 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.287 -0.108 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.894 -0.481 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.174 1.517 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.973 -0.027 3.215 1.00 0.00 H new ATOM 1654 N LEU A 107 3.460 0.741 -1.374 1.00 0.00 N ATOM 1655 CA LEU A 107 2.911 0.243 -2.615 1.00 0.00 C ATOM 1656 C LEU A 107 3.212 1.275 -3.712 1.00 0.00 C ATOM 1657 O LEU A 107 3.604 0.927 -4.832 1.00 0.00 O ATOM 1658 CB LEU A 107 1.386 -0.011 -2.420 1.00 0.00 C ATOM 1659 CG LEU A 107 0.596 -0.769 -3.518 1.00 0.00 C ATOM 1660 CD1 LEU A 107 0.388 0.066 -4.758 1.00 0.00 C ATOM 1661 CD2 LEU A 107 1.273 -2.091 -3.866 1.00 0.00 C ATOM 0 H LEU A 107 2.754 1.026 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 107 3.358 -0.705 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.262 -0.562 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.907 0.959 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.390 -0.981 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.170 -0.511 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.172 0.965 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.356 0.347 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.698 -2.602 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.281 -1.898 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.324 -2.719 -2.977 1.00 0.00 H new ATOM 1673 N LEU A 108 3.067 2.539 -3.359 1.00 0.00 N ATOM 1674 CA LEU A 108 3.391 3.644 -4.252 1.00 0.00 C ATOM 1675 C LEU A 108 4.887 3.643 -4.566 1.00 0.00 C ATOM 1676 O LEU A 108 5.298 3.806 -5.725 1.00 0.00 O ATOM 1677 CB LEU A 108 2.996 4.978 -3.606 1.00 0.00 C ATOM 1678 CG LEU A 108 1.506 5.182 -3.334 1.00 0.00 C ATOM 1679 CD1 LEU A 108 1.278 6.474 -2.574 1.00 0.00 C ATOM 1680 CD2 LEU A 108 0.726 5.200 -4.637 1.00 0.00 C ATOM 0 H LEU A 108 2.721 2.832 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 108 2.832 3.520 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.533 5.073 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.340 5.786 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 108 1.152 4.350 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.212 6.604 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.810 6.435 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.649 7.313 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.333 5.346 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.086 6.015 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.865 4.252 -5.157 1.00 0.00 H new ATOM 1692 N ALA A 109 5.683 3.423 -3.531 1.00 0.00 N ATOM 1693 CA ALA A 109 7.130 3.393 -3.632 1.00 0.00 C ATOM 1694 C ALA A 109 7.623 2.295 -4.560 1.00 0.00 C ATOM 1695 O ALA A 109 8.530 2.517 -5.357 1.00 0.00 O ATOM 1696 CB ALA A 109 7.747 3.230 -2.261 1.00 0.00 C ATOM 0 H ALA A 109 5.336 3.258 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 109 7.442 4.345 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.833 3.209 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.451 4.066 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.402 2.297 -1.815 1.00 0.00 H new ATOM 1702 N SER A 110 6.998 1.131 -4.485 1.00 0.00 N ATOM 1703 CA SER A 110 7.394 -0.016 -5.289 1.00 0.00 C ATOM 1704 C SER A 110 7.230 0.175 -6.811 1.00 0.00 C ATOM 1705 O SER A 110 7.729 -0.633 -7.603 1.00 0.00 O ATOM 1706 CB SER A 110 6.739 -1.300 -4.777 1.00 0.00 C ATOM 1707 OG SER A 110 5.369 -1.114 -4.432 1.00 0.00 O ATOM 0 H SER A 110 6.205 0.954 -3.868 1.00 0.00 H new ATOM 0 HA SER A 110 8.472 -0.113 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.816 -2.073 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.284 -1.659 -3.904 1.00 0.00 H new ATOM 0 HG SER A 110 5.029 -0.305 -4.868 1.00 0.00 H new ATOM 1713 N SER A 111 6.566 1.248 -7.209 1.00 0.00 N ATOM 1714 CA SER A 111 6.423 1.577 -8.613 1.00 0.00 C ATOM 1715 C SER A 111 7.751 2.169 -9.122 1.00 0.00 C ATOM 1716 O SER A 111 8.061 2.137 -10.322 1.00 0.00 O ATOM 1717 CB SER A 111 5.280 2.589 -8.780 1.00 0.00 C ATOM 1718 OG SER A 111 5.017 2.893 -10.148 1.00 0.00 O ATOM 0 H SER A 111 6.116 1.907 -6.574 1.00 0.00 H new ATOM 0 HA SER A 111 6.186 0.684 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.376 2.191 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.531 3.507 -8.249 1.00 0.00 H new ATOM 0 HG SER A 111 4.110 3.255 -10.234 1.00 0.00 H new ATOM 1724 N LEU A 112 8.540 2.680 -8.202 1.00 0.00 N ATOM 1725 CA LEU A 112 9.805 3.283 -8.521 1.00 0.00 C ATOM 1726 C LEU A 112 10.919 2.386 -8.036 1.00 0.00 C ATOM 1727 O LEU A 112 11.258 2.397 -6.853 1.00 0.00 O ATOM 1728 CB LEU A 112 9.931 4.664 -7.856 1.00 0.00 C ATOM 1729 CG LEU A 112 8.895 5.721 -8.256 1.00 0.00 C ATOM 1730 CD1 LEU A 112 9.066 6.968 -7.406 1.00 0.00 C ATOM 1731 CD2 LEU A 112 9.031 6.072 -9.731 1.00 0.00 C ATOM 0 H LEU A 112 8.316 2.686 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 112 9.872 3.411 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.877 4.527 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.922 5.059 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 112 7.900 5.310 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.325 7.712 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.929 6.713 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.066 7.375 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 112 8.287 6.824 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.029 6.466 -9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.874 5.178 -10.334 1.00 0.00 H new ATOM 1743 N GLU A 113 11.432 1.559 -8.915 1.00 0.00 N ATOM 1744 CA GLU A 113 12.540 0.696 -8.569 1.00 0.00 C ATOM 1745 C GLU A 113 13.806 1.509 -8.679 1.00 0.00 C ATOM 1746 O GLU A 113 14.556 1.688 -7.720 1.00 0.00 O ATOM 1747 CB GLU A 113 12.669 -0.432 -9.587 1.00 0.00 C ATOM 1748 CG GLU A 113 11.479 -1.335 -9.772 1.00 0.00 C ATOM 1749 CD GLU A 113 11.697 -2.238 -10.962 1.00 0.00 C ATOM 1750 OE1 GLU A 113 12.515 -3.165 -10.882 1.00 0.00 O ATOM 1751 OE2 GLU A 113 11.076 -2.010 -12.025 1.00 0.00 O ATOM 0 H GLU A 113 11.101 1.464 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 113 12.379 0.292 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 113 12.909 0.012 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.520 -1.050 -9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.323 -1.934 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.578 -0.738 -9.918 1.00 0.00 H new ATOM 1758 N HIS A 114 13.996 2.020 -9.874 1.00 0.00 N ATOM 1759 CA HIS A 114 15.138 2.791 -10.311 1.00 0.00 C ATOM 1760 C HIS A 114 14.682 3.408 -11.592 1.00 0.00 C ATOM 1761 O HIS A 114 13.644 2.986 -12.119 1.00 0.00 O ATOM 1762 CB HIS A 114 16.374 1.888 -10.636 1.00 0.00 C ATOM 1763 CG HIS A 114 16.947 1.119 -9.480 1.00 0.00 C ATOM 1764 ND1 HIS A 114 16.751 -0.233 -9.302 1.00 0.00 N ATOM 1765 CD2 HIS A 114 17.698 1.523 -8.435 1.00 0.00 C ATOM 1766 CE1 HIS A 114 17.350 -0.618 -8.199 1.00 0.00 C ATOM 1767 NE2 HIS A 114 17.931 0.423 -7.657 1.00 0.00 N ATOM 0 H HIS A 114 13.309 1.899 -10.618 1.00 0.00 H new ATOM 0 HA HIS A 114 15.447 3.496 -9.539 1.00 0.00 H new ATOM 0 HB2 HIS A 114 16.087 1.179 -11.413 1.00 0.00 H new ATOM 0 HB3 HIS A 114 17.160 2.518 -11.054 1.00 0.00 H new ATOM 0 HD2 HIS A 114 18.049 2.527 -8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 114 17.362 -1.624 -7.805 1.00 0.00 H new ATOM 0 HE2 HIS A 114 18.471 0.415 -6.792 1.00 0.00 H new ATOM 1776 N HIS A 115 15.394 4.363 -12.110 1.00 0.00 N ATOM 1777 CA HIS A 115 15.021 4.917 -13.391 1.00 0.00 C ATOM 1778 C HIS A 115 15.451 3.989 -14.498 1.00 0.00 C ATOM 1779 O HIS A 115 16.642 3.729 -14.676 1.00 0.00 O ATOM 1780 CB HIS A 115 15.549 6.343 -13.611 1.00 0.00 C ATOM 1781 CG HIS A 115 14.736 7.401 -12.924 1.00 0.00 C ATOM 1782 ND1 HIS A 115 13.803 8.170 -13.583 1.00 0.00 N ATOM 1783 CD2 HIS A 115 14.714 7.817 -11.637 1.00 0.00 C ATOM 1784 CE1 HIS A 115 13.246 9.010 -12.735 1.00 0.00 C ATOM 1785 NE2 HIS A 115 13.783 8.815 -11.548 1.00 0.00 N ATOM 0 H HIS A 115 16.223 4.774 -11.681 1.00 0.00 H new ATOM 0 HA HIS A 115 13.935 5.004 -13.402 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.577 6.399 -13.254 1.00 0.00 H new ATOM 0 HB3 HIS A 115 15.571 6.552 -14.681 1.00 0.00 H new ATOM 0 HD2 HIS A 115 15.319 7.432 -10.830 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.481 9.734 -12.972 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.543 9.326 -10.699 1.00 0.00 H new ATOM 1794 N HIS A 116 14.476 3.436 -15.187 1.00 0.00 N ATOM 1795 CA HIS A 116 14.735 2.532 -16.293 1.00 0.00 C ATOM 1796 C HIS A 116 14.942 3.332 -17.554 1.00 0.00 C ATOM 1797 O HIS A 116 14.687 4.552 -17.567 1.00 0.00 O ATOM 1798 CB HIS A 116 13.585 1.526 -16.508 1.00 0.00 C ATOM 1799 CG HIS A 116 13.361 0.555 -15.385 1.00 0.00 C ATOM 1800 ND1 HIS A 116 14.067 -0.621 -15.253 1.00 0.00 N ATOM 1801 CD2 HIS A 116 12.487 0.580 -14.350 1.00 0.00 C ATOM 1802 CE1 HIS A 116 13.636 -1.275 -14.196 1.00 0.00 C ATOM 1803 NE2 HIS A 116 12.679 -0.573 -13.627 1.00 0.00 N ATOM 0 H HIS A 116 13.486 3.597 -15.000 1.00 0.00 H new ATOM 0 HA HIS A 116 15.631 1.961 -16.049 1.00 0.00 H new ATOM 0 HB2 HIS A 116 12.663 2.084 -16.673 1.00 0.00 H new ATOM 0 HB3 HIS A 116 13.784 0.962 -17.419 1.00 0.00 H new ATOM 0 HD2 HIS A 116 11.773 1.360 -14.133 1.00 0.00 H new ATOM 0 HE1 HIS A 116 14.006 -2.230 -13.852 1.00 0.00 H new ATOM 0 HE2 HIS A 116 12.165 -0.841 -12.788 1.00 0.00 H new ATOM 1812 N HIS A 117 15.396 2.673 -18.604 1.00 0.00 N ATOM 1813 CA HIS A 117 15.585 3.333 -19.874 1.00 0.00 C ATOM 1814 C HIS A 117 14.255 3.752 -20.449 1.00 0.00 C ATOM 1815 O HIS A 117 13.273 3.022 -20.354 1.00 0.00 O ATOM 1816 CB HIS A 117 16.385 2.481 -20.872 1.00 0.00 C ATOM 1817 CG HIS A 117 17.857 2.421 -20.576 1.00 0.00 C ATOM 1818 ND1 HIS A 117 18.787 3.159 -21.263 1.00 0.00 N ATOM 1819 CD2 HIS A 117 18.558 1.706 -19.669 1.00 0.00 C ATOM 1820 CE1 HIS A 117 19.989 2.901 -20.799 1.00 0.00 C ATOM 1821 NE2 HIS A 117 19.880 2.027 -19.832 1.00 0.00 N ATOM 0 H HIS A 117 15.639 1.682 -18.599 1.00 0.00 H new ATOM 0 HA HIS A 117 16.183 4.225 -19.690 1.00 0.00 H new ATOM 0 HB2 HIS A 117 15.983 1.468 -20.874 1.00 0.00 H new ATOM 0 HB3 HIS A 117 16.242 2.883 -21.875 1.00 0.00 H new ATOM 0 HD2 HIS A 117 18.152 1.011 -18.949 1.00 0.00 H new ATOM 0 HE1 HIS A 117 20.911 3.337 -21.156 1.00 0.00 H new ATOM 0 HE2 HIS A 117 20.654 1.646 -19.287 1.00 0.00 H new ATOM 1830 N HIS A 118 14.239 4.929 -21.008 1.00 0.00 N ATOM 1831 CA HIS A 118 13.047 5.555 -21.539 1.00 0.00 C ATOM 1832 C HIS A 118 12.404 4.725 -22.648 1.00 0.00 C ATOM 1833 O HIS A 118 13.024 4.430 -23.671 1.00 0.00 O ATOM 1834 CB HIS A 118 13.386 6.973 -22.046 1.00 0.00 C ATOM 1835 CG HIS A 118 12.234 7.734 -22.655 1.00 0.00 C ATOM 1836 ND1 HIS A 118 12.065 7.889 -24.016 1.00 0.00 N ATOM 1837 CD2 HIS A 118 11.208 8.397 -22.080 1.00 0.00 C ATOM 1838 CE1 HIS A 118 10.995 8.609 -24.246 1.00 0.00 C ATOM 1839 NE2 HIS A 118 10.453 8.930 -23.088 1.00 0.00 N ATOM 0 H HIS A 118 15.077 5.502 -21.113 1.00 0.00 H new ATOM 0 HA HIS A 118 12.317 5.622 -20.732 1.00 0.00 H new ATOM 0 HB2 HIS A 118 13.783 7.553 -21.213 1.00 0.00 H new ATOM 0 HB3 HIS A 118 14.181 6.895 -22.788 1.00 0.00 H new ATOM 0 HD2 HIS A 118 11.019 8.489 -21.021 1.00 0.00 H new ATOM 0 HE1 HIS A 118 10.621 8.892 -25.219 1.00 0.00 H new ATOM 0 HE2 HIS A 118 9.607 9.486 -22.964 1.00 0.00 H new ATOM 1848 N HIS A 119 11.191 4.334 -22.415 1.00 0.00 N ATOM 1849 CA HIS A 119 10.384 3.666 -23.394 1.00 0.00 C ATOM 1850 C HIS A 119 9.094 4.406 -23.495 1.00 0.00 C ATOM 1851 O HIS A 119 8.236 4.243 -22.610 1.00 0.00 O ATOM 1852 CB HIS A 119 10.129 2.192 -23.062 1.00 0.00 C ATOM 1853 CG HIS A 119 11.354 1.346 -23.050 1.00 0.00 C ATOM 1854 ND1 HIS A 119 12.110 1.092 -24.170 1.00 0.00 N ATOM 1855 CD2 HIS A 119 11.965 0.713 -22.040 1.00 0.00 C ATOM 1856 CE1 HIS A 119 13.131 0.336 -23.841 1.00 0.00 C ATOM 1857 NE2 HIS A 119 13.068 0.094 -22.557 1.00 0.00 N ATOM 1858 OXT HIS A 119 8.942 5.217 -24.425 1.00 0.00 O ATOM 0 H HIS A 119 10.721 4.472 -21.520 1.00 0.00 H new ATOM 0 HA HIS A 119 10.919 3.666 -24.343 1.00 0.00 H new ATOM 0 HB2 HIS A 119 9.649 2.129 -22.085 1.00 0.00 H new ATOM 0 HB3 HIS A 119 9.427 1.784 -23.789 1.00 0.00 H new ATOM 0 HD2 HIS A 119 11.645 0.695 -21.009 1.00 0.00 H new ATOM 0 HE1 HIS A 119 13.893 -0.025 -24.515 1.00 0.00 H new ATOM 0 HE2 HIS A 119 13.735 -0.467 -22.027 1.00 0.00 H new TER 1867 HIS A 119