USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 904 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 102 ASN : amide:sc= 0.596 K(o=0.83,f=-2.8!) USER MOD Set 1.2: A 108 SER OG : rot -170:sc= 0.235 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 TYR OH : rot 166:sc= 0.372 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 157:sc= 0.462 (180deg=0) USER MOD Set 3.2: A 78 ASN : amide:sc= -0.655 K(o=-0.19,f=-2.5) USER MOD Set 4.1: A 52 SER OG : rot 180:sc= -1.2 USER MOD Set 4.2: A 59 MET CE :methyl -141:sc= -0.822 (180deg=-5.54!) USER MOD Set 5.1: A 53 THR OG1 : rot 78:sc= 0.41 USER MOD Set 5.2: A 54 ASN : amide:sc= -1.76! K(o=-0.86!,f=-2.9) USER MOD Set 5.3: A 109 ASN : amide:sc= 0.491 K(o=-0.86,f=-5.5!) USER MOD Set 5.4: A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.917 K(o=0.92,f=-1) USER MOD Single : A 20 THR OG1 : rot -34:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 139:sc= -0.755 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 26 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.1!) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 1.26 (180deg=0.907) USER MOD Single : A 36 ASN : amide:sc= 2.34 K(o=2.3,f=-0.12) USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0.0834 (180deg=-0.864!) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc=-0.00241 (180deg=-0.104) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.527 K(o=0.53,f=-4.3!) USER MOD Single : A 56 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.28) USER MOD Single : A 60 THR OG1 : rot 180:sc=0.000297 USER MOD Single : A 66 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.65) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.09) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 91 THR OG1 : rot -82:sc= 0.2 USER MOD Single : A 92 SER OG : rot 4:sc= 0.271 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 99 LYS NZ :NH3+ -142:sc= 2.44 (180deg=1.09) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.02) USER MOD Single : A 103 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.82) USER MOD Single : A 104 SER OG : rot 167:sc= 1.23 USER MOD Single : A 105 SER OG : rot 80:sc= 1.4 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 110 TYR OH : rot 147:sc= -2.43! USER MOD Single : A 115 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 117 HIS : no HE2:sc= 0.654 K(o=0.65,f=-6!) USER MOD Single : A 120 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.05) USER MOD Single : A 123 SER OG : rot 180:sc= 0.17 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 128 LYS NZ :NH3+ 141:sc= 0.77 (180deg=0.114) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 14 -9.589 -12.614 11.771 1.00 0.00 N ATOM 2 CA ARG A 14 -10.326 -11.363 11.653 1.00 0.00 C ATOM 3 C ARG A 14 -9.759 -10.509 10.524 1.00 0.00 C ATOM 4 O ARG A 14 -9.587 -9.297 10.663 1.00 0.00 O ATOM 5 CB ARG A 14 -10.289 -10.596 12.976 1.00 0.00 C ATOM 6 CG ARG A 14 -11.644 -10.040 13.385 1.00 0.00 C ATOM 7 CD ARG A 14 -11.533 -9.150 14.610 1.00 0.00 C ATOM 8 NE ARG A 14 -10.600 -8.045 14.398 1.00 0.00 N ATOM 9 CZ ARG A 14 -10.924 -6.760 14.506 1.00 0.00 C ATOM 10 NH1 ARG A 14 -12.156 -6.400 14.849 1.00 0.00 N ATOM 11 NH2 ARG A 14 -10.000 -5.836 14.279 1.00 0.00 N ATOM 0 HA ARG A 14 -11.364 -11.596 11.416 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -9.923 -11.257 13.761 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.577 -9.775 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -12.070 -9.471 12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -12.329 -10.863 13.592 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.516 -8.752 14.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.204 -9.745 15.462 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.637 -8.275 14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.863 -7.112 15.032 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.395 -5.412 14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.052 -6.114 14.025 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.237 -4.847 14.359 1.00 0.00 H new ATOM 25 N ILE A 15 -9.465 -11.157 9.406 1.00 0.00 N ATOM 26 CA ILE A 15 -8.947 -10.473 8.230 1.00 0.00 C ATOM 27 C ILE A 15 -9.743 -10.882 6.995 1.00 0.00 C ATOM 28 O ILE A 15 -9.775 -12.060 6.637 1.00 0.00 O ATOM 29 CB ILE A 15 -7.450 -10.776 7.998 1.00 0.00 C ATOM 30 CG1 ILE A 15 -7.062 -12.120 8.624 1.00 0.00 C ATOM 31 CG2 ILE A 15 -6.596 -9.654 8.567 1.00 0.00 C ATOM 32 CD1 ILE A 15 -5.776 -12.692 8.074 1.00 0.00 C ATOM 0 H ILE A 15 -9.578 -12.164 9.289 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.052 -9.402 8.404 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.273 -10.842 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.963 -11.994 9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.868 -12.835 8.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.543 -9.877 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.852 -8.716 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.781 -9.563 9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.563 -13.643 8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.878 -12.850 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.958 -11.996 8.263 1.00 0.00 H new ATOM 44 N PRO A 16 -10.412 -9.914 6.349 1.00 0.00 N ATOM 45 CA PRO A 16 -11.277 -10.169 5.197 1.00 0.00 C ATOM 46 C PRO A 16 -10.495 -10.340 3.891 1.00 0.00 C ATOM 47 O PRO A 16 -9.505 -11.070 3.837 1.00 0.00 O ATOM 48 CB PRO A 16 -12.170 -8.917 5.127 1.00 0.00 C ATOM 49 CG PRO A 16 -11.764 -8.045 6.277 1.00 0.00 C ATOM 50 CD PRO A 16 -10.393 -8.493 6.691 1.00 0.00 C ATOM 0 HA PRO A 16 -11.831 -11.100 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.036 -8.397 4.179 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.224 -9.187 5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.757 -6.995 5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.469 -8.140 7.103 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.611 -7.956 6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.217 -8.333 7.755 1.00 0.00 H new ATOM 58 N ASN A 17 -10.935 -9.646 2.841 1.00 0.00 N ATOM 59 CA ASN A 17 -10.311 -9.758 1.525 1.00 0.00 C ATOM 60 C ASN A 17 -9.035 -8.924 1.453 1.00 0.00 C ATOM 61 O ASN A 17 -9.016 -7.828 0.889 1.00 0.00 O ATOM 62 CB ASN A 17 -11.288 -9.316 0.427 1.00 0.00 C ATOM 63 CG ASN A 17 -10.813 -9.708 -0.961 1.00 0.00 C ATOM 64 OD1 ASN A 17 -10.125 -10.713 -1.134 1.00 0.00 O ATOM 65 ND2 ASN A 17 -11.185 -8.921 -1.959 1.00 0.00 N ATOM 0 H ASN A 17 -11.723 -8.999 2.878 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.050 -10.804 1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.265 -9.761 0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.417 -8.235 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.901 -9.139 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.756 -8.097 -1.773 1.00 0.00 H new ATOM 72 N ILE A 18 -7.973 -9.448 2.042 1.00 0.00 N ATOM 73 CA ILE A 18 -6.677 -8.790 2.006 1.00 0.00 C ATOM 74 C ILE A 18 -5.716 -9.576 1.125 1.00 0.00 C ATOM 75 O ILE A 18 -5.892 -10.778 0.918 1.00 0.00 O ATOM 76 CB ILE A 18 -6.066 -8.635 3.415 1.00 0.00 C ATOM 77 CG1 ILE A 18 -6.151 -9.950 4.194 1.00 0.00 C ATOM 78 CG2 ILE A 18 -6.765 -7.518 4.175 1.00 0.00 C ATOM 79 CD1 ILE A 18 -4.967 -10.193 5.103 1.00 0.00 C ATOM 0 H ILE A 18 -7.983 -10.331 2.553 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.833 -7.793 1.594 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.013 -8.375 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.063 -9.951 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.232 -10.776 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.323 -7.421 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.648 -6.580 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.825 -7.752 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.096 -11.143 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.053 -10.225 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.897 -9.387 5.833 1.00 0.00 H new ATOM 91 N ALA A 19 -4.714 -8.895 0.603 1.00 0.00 N ATOM 92 CA ALA A 19 -3.739 -9.516 -0.274 1.00 0.00 C ATOM 93 C ALA A 19 -2.339 -9.036 0.062 1.00 0.00 C ATOM 94 O ALA A 19 -2.058 -7.834 0.033 1.00 0.00 O ATOM 95 CB ALA A 19 -4.063 -9.217 -1.729 1.00 0.00 C ATOM 0 H ALA A 19 -4.553 -7.902 0.773 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.782 -10.595 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.321 -9.691 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.052 -9.606 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.048 -8.139 -1.891 1.00 0.00 H new ATOM 101 N THR A 20 -1.472 -9.972 0.399 1.00 0.00 N ATOM 102 CA THR A 20 -0.082 -9.657 0.643 1.00 0.00 C ATOM 103 C THR A 20 0.651 -9.459 -0.677 1.00 0.00 C ATOM 104 O THR A 20 0.966 -10.423 -1.377 1.00 0.00 O ATOM 105 CB THR A 20 0.615 -10.765 1.446 1.00 0.00 C ATOM 106 OG1 THR A 20 -0.317 -11.378 2.348 1.00 0.00 O ATOM 107 CG2 THR A 20 1.800 -10.204 2.221 1.00 0.00 C ATOM 0 H THR A 20 -1.709 -10.958 0.510 1.00 0.00 H new ATOM 0 HA THR A 20 -0.052 -8.737 1.226 1.00 0.00 H new ATOM 0 HB THR A 20 0.984 -11.517 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.950 -10.704 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.280 -11.005 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.517 -9.770 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.452 -9.435 2.911 1.00 0.00 H new ATOM 115 N TYR A 21 0.891 -8.208 -1.025 1.00 0.00 N ATOM 116 CA TYR A 21 1.636 -7.882 -2.227 1.00 0.00 C ATOM 117 C TYR A 21 3.110 -8.185 -2.006 1.00 0.00 C ATOM 118 O TYR A 21 3.860 -7.352 -1.494 1.00 0.00 O ATOM 119 CB TYR A 21 1.436 -6.410 -2.598 1.00 0.00 C ATOM 120 CG TYR A 21 -0.017 -6.000 -2.713 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.907 -6.728 -3.491 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.496 -4.880 -2.044 1.00 0.00 C ATOM 123 CE1 TYR A 21 -2.233 -6.355 -3.599 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.822 -4.499 -2.145 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.688 -5.240 -2.925 1.00 0.00 C ATOM 126 OH TYR A 21 -4.013 -4.869 -3.037 1.00 0.00 O ATOM 0 H TYR A 21 0.579 -7.398 -0.489 1.00 0.00 H new ATOM 0 HA TYR A 21 1.268 -8.490 -3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.921 -5.787 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.935 -6.213 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.557 -7.601 -4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.179 -4.297 -1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.911 -6.934 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.178 -3.627 -1.617 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.347 -4.580 -2.162 1.00 0.00 H new ATOM 136 N THR A 22 3.504 -9.395 -2.353 1.00 0.00 N ATOM 137 CA THR A 22 4.875 -9.833 -2.186 1.00 0.00 C ATOM 138 C THR A 22 5.659 -9.675 -3.486 1.00 0.00 C ATOM 139 O THR A 22 5.492 -10.451 -4.426 1.00 0.00 O ATOM 140 CB THR A 22 4.932 -11.298 -1.712 1.00 0.00 C ATOM 141 OG1 THR A 22 3.826 -11.577 -0.836 1.00 0.00 O ATOM 142 CG2 THR A 22 6.238 -11.585 -0.986 1.00 0.00 C ATOM 0 H THR A 22 2.886 -10.099 -2.757 1.00 0.00 H new ATOM 0 HA THR A 22 5.332 -9.203 -1.423 1.00 0.00 H new ATOM 0 HB THR A 22 4.873 -11.940 -2.591 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.870 -12.511 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.253 -12.626 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.076 -11.402 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.322 -10.933 -0.117 1.00 0.00 H new ATOM 150 N GLY A 23 6.504 -8.658 -3.533 1.00 0.00 N ATOM 151 CA GLY A 23 7.298 -8.399 -4.718 1.00 0.00 C ATOM 152 C GLY A 23 8.621 -7.761 -4.367 1.00 0.00 C ATOM 153 O GLY A 23 8.876 -7.478 -3.199 1.00 0.00 O ATOM 0 H GLY A 23 6.656 -8.002 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.473 -9.333 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.745 -7.745 -5.393 1.00 0.00 H new ATOM 157 N THR A 24 9.460 -7.532 -5.361 1.00 0.00 N ATOM 158 CA THR A 24 10.773 -6.951 -5.123 1.00 0.00 C ATOM 159 C THR A 24 10.780 -5.449 -5.386 1.00 0.00 C ATOM 160 O THR A 24 10.093 -4.960 -6.285 1.00 0.00 O ATOM 161 CB THR A 24 11.838 -7.628 -6.001 1.00 0.00 C ATOM 162 OG1 THR A 24 11.201 -8.462 -6.980 1.00 0.00 O ATOM 163 CG2 THR A 24 12.786 -8.463 -5.150 1.00 0.00 C ATOM 0 H THR A 24 9.258 -7.738 -6.339 1.00 0.00 H new ATOM 0 HA THR A 24 11.010 -7.119 -4.073 1.00 0.00 H new ATOM 0 HB THR A 24 12.416 -6.853 -6.504 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.883 -8.890 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.532 -8.933 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.285 -7.821 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.221 -9.233 -4.625 1.00 0.00 H new ATOM 171 N ILE A 25 11.537 -4.725 -4.579 1.00 0.00 N ATOM 172 CA ILE A 25 11.707 -3.294 -4.754 1.00 0.00 C ATOM 173 C ILE A 25 13.151 -2.977 -5.137 1.00 0.00 C ATOM 174 O ILE A 25 14.071 -3.733 -4.799 1.00 0.00 O ATOM 175 CB ILE A 25 11.326 -2.518 -3.469 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.323 -1.013 -3.743 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.277 -2.858 -2.329 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.061 -0.171 -2.520 1.00 0.00 C ATOM 0 H ILE A 25 12.049 -5.112 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 25 11.040 -2.976 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 25 10.322 -2.818 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.285 -0.729 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.565 -0.792 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.990 -2.301 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.228 -3.927 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.295 -2.590 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.075 0.884 -2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.086 -0.425 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.833 -0.362 -1.775 1.00 0.00 H new ATOM 190 N GLN A 26 13.345 -1.867 -5.844 1.00 0.00 N ATOM 191 CA GLN A 26 14.672 -1.453 -6.272 1.00 0.00 C ATOM 192 C GLN A 26 15.425 -0.822 -5.112 1.00 0.00 C ATOM 193 O GLN A 26 14.848 -0.545 -4.057 1.00 0.00 O ATOM 194 CB GLN A 26 14.598 -0.450 -7.432 1.00 0.00 C ATOM 195 CG GLN A 26 13.324 -0.542 -8.256 1.00 0.00 C ATOM 196 CD GLN A 26 12.302 0.511 -7.872 1.00 0.00 C ATOM 197 OE1 GLN A 26 11.181 0.185 -7.489 1.00 0.00 O ATOM 198 NE2 GLN A 26 12.679 1.775 -7.962 1.00 0.00 N ATOM 0 H GLN A 26 12.595 -1.238 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 26 15.200 -2.343 -6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.685 0.560 -7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.454 -0.607 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.571 -0.435 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.885 -1.532 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.619 2.005 -8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.030 2.520 -7.709 1.00 0.00 H new ATOM 207 N GLY A 27 16.709 -0.592 -5.316 1.00 0.00 N ATOM 208 CA GLY A 27 17.521 0.026 -4.301 1.00 0.00 C ATOM 209 C GLY A 27 17.280 1.514 -4.213 1.00 0.00 C ATOM 210 O GLY A 27 17.270 2.203 -5.235 1.00 0.00 O ATOM 0 H GLY A 27 17.205 -0.826 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.307 -0.434 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.573 -0.159 -4.516 1.00 0.00 H new ATOM 214 N LYS A 28 17.072 2.002 -2.991 1.00 0.00 N ATOM 215 CA LYS A 28 16.848 3.427 -2.732 1.00 0.00 C ATOM 216 C LYS A 28 15.608 3.933 -3.467 1.00 0.00 C ATOM 217 O LYS A 28 15.485 5.126 -3.761 1.00 0.00 O ATOM 218 CB LYS A 28 18.077 4.255 -3.135 1.00 0.00 C ATOM 219 CG LYS A 28 19.409 3.605 -2.786 1.00 0.00 C ATOM 220 CD LYS A 28 19.726 3.733 -1.308 1.00 0.00 C ATOM 221 CE LYS A 28 21.182 3.408 -1.020 1.00 0.00 C ATOM 222 NZ LYS A 28 21.424 3.221 0.433 1.00 0.00 N ATOM 0 H LYS A 28 17.054 1.423 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 28 16.683 3.546 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.044 4.435 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.021 5.228 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.383 2.551 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.204 4.068 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.506 4.747 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.083 3.063 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.466 2.502 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.816 4.212 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.180 2.521 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.709 4.127 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.552 2.884 0.890 1.00 0.00 H new ATOM 236 N GLY A 29 14.690 3.021 -3.751 1.00 0.00 N ATOM 237 CA GLY A 29 13.488 3.378 -4.470 1.00 0.00 C ATOM 238 C GLY A 29 12.287 3.457 -3.556 1.00 0.00 C ATOM 239 O GLY A 29 12.317 2.937 -2.438 1.00 0.00 O ATOM 0 H GLY A 29 14.758 2.036 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.632 4.339 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.301 2.642 -5.252 1.00 0.00 H new ATOM 243 N GLU A 30 11.239 4.125 -4.021 1.00 0.00 N ATOM 244 CA GLU A 30 10.017 4.279 -3.242 1.00 0.00 C ATOM 245 C GLU A 30 8.800 4.061 -4.136 1.00 0.00 C ATOM 246 O GLU A 30 8.502 4.881 -5.006 1.00 0.00 O ATOM 247 CB GLU A 30 9.972 5.670 -2.603 1.00 0.00 C ATOM 248 CG GLU A 30 11.332 6.345 -2.489 1.00 0.00 C ATOM 249 CD GLU A 30 11.224 7.849 -2.403 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.499 8.444 -3.227 1.00 0.00 O ATOM 251 OE2 GLU A 30 11.851 8.444 -1.504 1.00 0.00 O ATOM 0 H GLU A 30 11.211 4.571 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 30 10.004 3.533 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.310 6.307 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.535 5.587 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.848 5.970 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.941 6.076 -3.352 1.00 0.00 H new ATOM 258 N VAL A 31 8.098 2.954 -3.912 1.00 0.00 N ATOM 259 CA VAL A 31 7.077 2.495 -4.854 1.00 0.00 C ATOM 260 C VAL A 31 6.057 1.542 -4.198 1.00 0.00 C ATOM 261 O VAL A 31 6.455 0.547 -3.595 1.00 0.00 O ATOM 262 CB VAL A 31 7.788 1.734 -5.988 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.865 0.837 -5.395 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.810 0.915 -6.805 1.00 0.00 C ATOM 0 H VAL A 31 8.215 2.359 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 31 6.533 3.367 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 31 8.245 2.461 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.370 0.297 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.590 1.447 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.408 0.124 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.346 0.391 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.315 0.189 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.064 1.575 -7.248 1.00 0.00 H new ATOM 274 N CYS A 32 4.763 1.851 -4.251 1.00 0.00 N ATOM 275 CA CYS A 32 3.741 0.820 -4.031 1.00 0.00 C ATOM 276 C CYS A 32 2.417 1.154 -4.724 1.00 0.00 C ATOM 277 O CYS A 32 2.271 2.214 -5.327 1.00 0.00 O ATOM 278 CB CYS A 32 3.521 0.513 -2.553 1.00 0.00 C ATOM 279 SG CYS A 32 3.713 -1.254 -2.134 1.00 0.00 S ATOM 0 H CYS A 32 4.399 2.785 -4.440 1.00 0.00 H new ATOM 0 HA CYS A 32 4.135 -0.086 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.226 1.096 -1.961 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.520 0.838 -2.268 1.00 0.00 H new ATOM 284 N ILE A 33 1.459 0.231 -4.625 1.00 0.00 N ATOM 285 CA ILE A 33 0.109 0.438 -5.147 1.00 0.00 C ATOM 286 C ILE A 33 -0.818 0.895 -4.029 1.00 0.00 C ATOM 287 O ILE A 33 -0.377 1.103 -2.904 1.00 0.00 O ATOM 288 CB ILE A 33 -0.493 -0.841 -5.775 1.00 0.00 C ATOM 289 CG1 ILE A 33 0.511 -1.993 -5.761 1.00 0.00 C ATOM 290 CG2 ILE A 33 -0.965 -0.565 -7.192 1.00 0.00 C ATOM 291 CD1 ILE A 33 -0.130 -3.352 -5.585 1.00 0.00 C ATOM 0 H ILE A 33 1.597 -0.677 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 33 0.194 1.197 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.351 -1.138 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.075 -1.984 -6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.227 -1.831 -4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.386 -1.475 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.727 0.214 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.122 -0.236 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.642 -4.121 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.670 -3.380 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.825 -3.536 -6.405 1.00 0.00 H new ATOM 303 N ILE A 34 -2.098 1.051 -4.335 1.00 0.00 N ATOM 304 CA ILE A 34 -3.074 1.418 -3.323 1.00 0.00 C ATOM 305 C ILE A 34 -3.898 0.200 -2.916 1.00 0.00 C ATOM 306 O ILE A 34 -4.379 -0.553 -3.762 1.00 0.00 O ATOM 307 CB ILE A 34 -4.011 2.558 -3.799 1.00 0.00 C ATOM 308 CG1 ILE A 34 -5.065 2.881 -2.730 1.00 0.00 C ATOM 309 CG2 ILE A 34 -4.684 2.198 -5.118 1.00 0.00 C ATOM 310 CD1 ILE A 34 -4.476 3.327 -1.403 1.00 0.00 C ATOM 0 H ILE A 34 -2.482 0.929 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.520 1.788 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.400 3.446 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.723 3.665 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.683 1.999 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.335 3.015 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.923 2.030 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.275 1.291 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.282 3.537 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.841 2.536 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.882 4.228 -1.553 1.00 0.00 H new ATOM 322 N GLY A 35 -4.039 0.007 -1.614 1.00 0.00 N ATOM 323 CA GLY A 35 -4.802 -1.111 -1.102 1.00 0.00 C ATOM 324 C GLY A 35 -6.071 -0.663 -0.402 1.00 0.00 C ATOM 325 O GLY A 35 -6.398 -1.148 0.680 1.00 0.00 O ATOM 0 H GLY A 35 -3.635 0.610 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.058 -1.781 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.187 -1.681 -0.406 1.00 0.00 H new ATOM 329 N ASN A 36 -6.763 0.287 -1.010 1.00 0.00 N ATOM 330 CA ASN A 36 -8.009 0.805 -0.462 1.00 0.00 C ATOM 331 C ASN A 36 -9.091 0.798 -1.538 1.00 0.00 C ATOM 332 O ASN A 36 -8.803 1.035 -2.712 1.00 0.00 O ATOM 333 CB ASN A 36 -7.787 2.220 0.102 1.00 0.00 C ATOM 334 CG ASN A 36 -8.871 3.212 -0.286 1.00 0.00 C ATOM 335 OD1 ASN A 36 -8.699 4.011 -1.206 1.00 0.00 O ATOM 336 ND2 ASN A 36 -9.991 3.172 0.416 1.00 0.00 N ATOM 0 H ASN A 36 -6.481 0.719 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.341 0.166 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.732 2.163 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.824 2.593 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.750 3.818 0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.095 2.495 1.171 1.00 0.00 H new ATOM 343 N LYS A 37 -10.323 0.509 -1.142 1.00 0.00 N ATOM 344 CA LYS A 37 -11.444 0.509 -2.071 1.00 0.00 C ATOM 345 C LYS A 37 -12.586 1.368 -1.528 1.00 0.00 C ATOM 346 O LYS A 37 -13.163 1.055 -0.483 1.00 0.00 O ATOM 347 CB LYS A 37 -11.933 -0.924 -2.352 1.00 0.00 C ATOM 348 CG LYS A 37 -12.063 -1.807 -1.116 1.00 0.00 C ATOM 349 CD LYS A 37 -13.428 -2.485 -1.052 1.00 0.00 C ATOM 350 CE LYS A 37 -13.378 -3.782 -0.256 1.00 0.00 C ATOM 351 NZ LYS A 37 -14.593 -4.617 -0.477 1.00 0.00 N ATOM 0 H LYS A 37 -10.571 0.271 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.102 0.937 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.902 -0.872 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.243 -1.398 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.280 -2.565 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.913 -1.205 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.150 -1.807 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.779 -2.692 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.491 -4.349 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.283 -3.553 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.395 -5.599 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.379 -4.245 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.854 -4.591 -1.483 1.00 0.00 H new ATOM 365 N GLU A 38 -12.885 2.455 -2.242 1.00 0.00 N ATOM 366 CA GLU A 38 -13.937 3.397 -1.856 1.00 0.00 C ATOM 367 C GLU A 38 -13.639 4.019 -0.491 1.00 0.00 C ATOM 368 O GLU A 38 -12.477 4.226 -0.136 1.00 0.00 O ATOM 369 CB GLU A 38 -15.310 2.709 -1.848 1.00 0.00 C ATOM 370 CG GLU A 38 -16.340 3.397 -2.729 1.00 0.00 C ATOM 371 CD GLU A 38 -17.464 4.028 -1.930 1.00 0.00 C ATOM 372 OE1 GLU A 38 -17.174 4.784 -0.980 1.00 0.00 O ATOM 373 OE2 GLU A 38 -18.646 3.769 -2.251 1.00 0.00 O ATOM 0 H GLU A 38 -12.404 2.707 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.960 4.197 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.192 1.677 -2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.684 2.675 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.847 4.165 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.758 2.672 -3.427 1.00 0.00 H new ATOM 380 N GLY A 39 -14.687 4.343 0.253 1.00 0.00 N ATOM 381 CA GLY A 39 -14.515 4.880 1.583 1.00 0.00 C ATOM 382 C GLY A 39 -15.609 4.425 2.523 1.00 0.00 C ATOM 383 O GLY A 39 -15.434 3.455 3.259 1.00 0.00 O ATOM 0 H GLY A 39 -15.657 4.242 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.547 4.571 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.507 5.969 1.536 1.00 0.00 H new ATOM 387 N LYS A 40 -16.744 5.117 2.472 1.00 0.00 N ATOM 388 CA LYS A 40 -17.888 4.815 3.327 1.00 0.00 C ATOM 389 C LYS A 40 -17.505 4.875 4.805 1.00 0.00 C ATOM 390 O LYS A 40 -17.210 5.943 5.340 1.00 0.00 O ATOM 391 CB LYS A 40 -18.463 3.434 2.997 1.00 0.00 C ATOM 392 CG LYS A 40 -19.165 3.359 1.656 1.00 0.00 C ATOM 393 CD LYS A 40 -19.728 1.971 1.408 1.00 0.00 C ATOM 394 CE LYS A 40 -20.347 1.863 0.025 1.00 0.00 C ATOM 395 NZ LYS A 40 -21.518 2.765 -0.126 1.00 0.00 N ATOM 0 H LYS A 40 -16.896 5.901 1.838 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.649 5.572 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.655 2.703 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.166 3.149 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.971 4.092 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.465 3.618 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.935 1.231 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.479 1.741 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.599 2.109 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.655 0.833 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.995 2.567 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.182 2.606 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.198 3.754 -0.113 1.00 0.00 H new ATOM 409 N THR A 41 -17.537 3.719 5.453 1.00 0.00 N ATOM 410 CA THR A 41 -17.153 3.586 6.850 1.00 0.00 C ATOM 411 C THR A 41 -16.713 2.149 7.108 1.00 0.00 C ATOM 412 O THR A 41 -15.729 1.892 7.802 1.00 0.00 O ATOM 413 CB THR A 41 -18.316 3.949 7.801 1.00 0.00 C ATOM 414 OG1 THR A 41 -19.136 4.969 7.212 1.00 0.00 O ATOM 415 CG2 THR A 41 -17.786 4.435 9.143 1.00 0.00 C ATOM 0 H THR A 41 -17.832 2.843 5.022 1.00 0.00 H new ATOM 0 HA THR A 41 -16.335 4.279 7.047 1.00 0.00 H new ATOM 0 HB THR A 41 -18.913 3.052 7.964 1.00 0.00 H new ATOM 0 HG1 THR A 41 -19.871 5.191 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.622 4.685 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 41 -17.188 3.649 9.604 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.168 5.320 8.991 1.00 0.00 H new ATOM 423 N ARG A 42 -17.469 1.217 6.538 1.00 0.00 N ATOM 424 CA ARG A 42 -17.118 -0.194 6.563 1.00 0.00 C ATOM 425 C ARG A 42 -17.054 -0.726 5.136 1.00 0.00 C ATOM 426 O ARG A 42 -18.082 -1.086 4.552 1.00 0.00 O ATOM 427 CB ARG A 42 -18.153 -0.980 7.370 1.00 0.00 C ATOM 428 CG ARG A 42 -17.562 -2.098 8.217 1.00 0.00 C ATOM 429 CD ARG A 42 -18.649 -2.891 8.941 1.00 0.00 C ATOM 430 NE ARG A 42 -19.900 -2.137 9.057 1.00 0.00 N ATOM 431 CZ ARG A 42 -20.239 -1.411 10.123 1.00 0.00 C ATOM 432 NH1 ARG A 42 -19.473 -1.412 11.205 1.00 0.00 N ATOM 433 NH2 ARG A 42 -21.360 -0.707 10.114 1.00 0.00 N ATOM 0 H ARG A 42 -18.340 1.420 6.047 1.00 0.00 H new ATOM 0 HA ARG A 42 -16.144 -0.314 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -18.690 -0.290 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -18.885 -1.406 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.983 -2.769 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.872 -1.676 8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.836 -3.821 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -18.297 -3.162 9.936 1.00 0.00 H new ATOM 0 HE ARG A 42 -20.552 -2.169 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.619 -1.970 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.737 -0.855 12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -21.964 -0.720 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -21.620 -0.151 10.929 1.00 0.00 H new ATOM 447 N GLY A 43 -15.861 -0.750 4.565 1.00 0.00 N ATOM 448 CA GLY A 43 -15.712 -1.205 3.200 1.00 0.00 C ATOM 449 C GLY A 43 -14.290 -1.592 2.875 1.00 0.00 C ATOM 450 O GLY A 43 -13.942 -2.775 2.890 1.00 0.00 O ATOM 0 H GLY A 43 -14.995 -0.463 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.366 -2.060 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.036 -0.417 2.520 1.00 0.00 H new ATOM 454 N GLY A 44 -13.472 -0.596 2.581 1.00 0.00 N ATOM 455 CA GLY A 44 -12.087 -0.838 2.247 1.00 0.00 C ATOM 456 C GLY A 44 -11.211 0.317 2.668 1.00 0.00 C ATOM 457 O GLY A 44 -10.547 0.938 1.836 1.00 0.00 O ATOM 0 H GLY A 44 -13.747 0.386 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.747 -1.751 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.992 -0.996 1.173 1.00 0.00 H new ATOM 461 N GLU A 45 -11.236 0.611 3.960 1.00 0.00 N ATOM 462 CA GLU A 45 -10.475 1.716 4.538 1.00 0.00 C ATOM 463 C GLU A 45 -8.975 1.569 4.276 1.00 0.00 C ATOM 464 O GLU A 45 -8.498 0.502 3.879 1.00 0.00 O ATOM 465 CB GLU A 45 -10.739 1.796 6.045 1.00 0.00 C ATOM 466 CG GLU A 45 -12.216 1.754 6.418 1.00 0.00 C ATOM 467 CD GLU A 45 -12.727 0.343 6.643 1.00 0.00 C ATOM 468 OE1 GLU A 45 -12.425 -0.249 7.702 1.00 0.00 O ATOM 469 OE2 GLU A 45 -13.430 -0.188 5.755 1.00 0.00 O ATOM 0 H GLU A 45 -11.786 0.089 4.642 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.806 2.637 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.227 0.970 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.303 2.717 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.374 2.341 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.799 2.225 5.627 1.00 0.00 H new ATOM 476 N LEU A 46 -8.237 2.653 4.498 1.00 0.00 N ATOM 477 CA LEU A 46 -6.798 2.665 4.269 1.00 0.00 C ATOM 478 C LEU A 46 -6.078 1.810 5.308 1.00 0.00 C ATOM 479 O LEU A 46 -5.688 2.300 6.368 1.00 0.00 O ATOM 480 CB LEU A 46 -6.260 4.101 4.310 1.00 0.00 C ATOM 481 CG LEU A 46 -7.097 5.133 3.549 1.00 0.00 C ATOM 482 CD1 LEU A 46 -7.551 6.243 4.484 1.00 0.00 C ATOM 483 CD2 LEU A 46 -6.307 5.708 2.383 1.00 0.00 C ATOM 0 H LEU A 46 -8.615 3.537 4.838 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.609 2.245 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.185 4.414 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.249 4.105 3.902 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.980 4.633 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.145 6.968 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.155 5.819 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.679 6.739 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.919 6.439 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.405 6.192 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.030 4.905 1.700 1.00 0.00 H new ATOM 495 N TYR A 47 -5.933 0.529 5.002 1.00 0.00 N ATOM 496 CA TYR A 47 -5.244 -0.401 5.880 1.00 0.00 C ATOM 497 C TYR A 47 -4.211 -1.199 5.092 1.00 0.00 C ATOM 498 O TYR A 47 -4.543 -1.865 4.111 1.00 0.00 O ATOM 499 CB TYR A 47 -6.249 -1.349 6.546 1.00 0.00 C ATOM 500 CG TYR A 47 -5.609 -2.400 7.429 1.00 0.00 C ATOM 501 CD1 TYR A 47 -5.110 -2.070 8.682 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.508 -3.722 7.009 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.528 -3.027 9.492 1.00 0.00 C ATOM 504 CE2 TYR A 47 -4.927 -4.684 7.814 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.439 -4.330 9.055 1.00 0.00 C ATOM 506 OH TYR A 47 -3.860 -5.285 9.861 1.00 0.00 O ATOM 0 H TYR A 47 -6.288 0.108 4.143 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.732 0.166 6.657 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.946 -0.762 7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.833 -1.846 5.771 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.178 -1.050 9.029 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.890 -4.002 6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.144 -2.754 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.856 -5.706 7.474 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.877 -6.152 9.405 1.00 0.00 H new ATOM 516 N ALA A 48 -2.959 -1.103 5.511 1.00 0.00 N ATOM 517 CA ALA A 48 -1.883 -1.853 4.884 1.00 0.00 C ATOM 518 C ALA A 48 -0.749 -2.079 5.862 1.00 0.00 C ATOM 519 O ALA A 48 -0.135 -1.127 6.330 1.00 0.00 O ATOM 520 CB ALA A 48 -1.364 -1.112 3.665 1.00 0.00 C ATOM 0 H ALA A 48 -2.662 -0.510 6.286 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.279 -2.820 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.559 -1.686 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.173 -0.983 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.987 -0.135 3.966 1.00 0.00 H new ATOM 526 N VAL A 49 -0.468 -3.327 6.181 1.00 0.00 N ATOM 527 CA VAL A 49 0.647 -3.631 7.058 1.00 0.00 C ATOM 528 C VAL A 49 1.827 -4.158 6.248 1.00 0.00 C ATOM 529 O VAL A 49 1.822 -5.293 5.762 1.00 0.00 O ATOM 530 CB VAL A 49 0.262 -4.618 8.191 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.643 -5.729 7.686 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.503 -5.192 8.861 1.00 0.00 C ATOM 0 H VAL A 49 -0.989 -4.139 5.851 1.00 0.00 H new ATOM 0 HA VAL A 49 0.940 -2.701 7.546 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.298 -4.053 8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.890 -6.399 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.559 -5.297 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.130 -6.289 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.204 -5.881 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.102 -5.725 8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.093 -4.382 9.290 1.00 0.00 H new ATOM 542 N LEU A 50 2.826 -3.309 6.076 1.00 0.00 N ATOM 543 CA LEU A 50 4.022 -3.681 5.346 1.00 0.00 C ATOM 544 C LEU A 50 4.851 -4.630 6.188 1.00 0.00 C ATOM 545 O LEU A 50 5.256 -4.283 7.295 1.00 0.00 O ATOM 546 CB LEU A 50 4.844 -2.441 4.981 1.00 0.00 C ATOM 547 CG LEU A 50 6.140 -2.720 4.213 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.853 -3.471 2.921 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.874 -1.419 3.925 1.00 0.00 C ATOM 0 H LEU A 50 2.830 -2.354 6.434 1.00 0.00 H new ATOM 0 HA LEU A 50 3.730 -4.177 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.222 -1.776 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.092 -1.906 5.898 1.00 0.00 H new ATOM 0 HG LEU A 50 6.778 -3.349 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.788 -3.658 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.371 -4.421 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.194 -2.873 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.793 -1.633 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.238 -0.768 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.117 -0.923 4.865 1.00 0.00 H new ATOM 561 N HIS A 51 5.070 -5.829 5.670 1.00 0.00 N ATOM 562 CA HIS A 51 5.833 -6.850 6.371 1.00 0.00 C ATOM 563 C HIS A 51 7.181 -7.054 5.701 1.00 0.00 C ATOM 564 O HIS A 51 7.349 -6.737 4.520 1.00 0.00 O ATOM 565 CB HIS A 51 5.067 -8.173 6.388 1.00 0.00 C ATOM 566 CG HIS A 51 4.081 -8.281 7.505 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.434 -8.171 8.832 1.00 0.00 N ATOM 568 CD2 HIS A 51 2.742 -8.485 7.488 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.355 -8.300 9.584 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.316 -8.491 8.794 1.00 0.00 N ATOM 0 H HIS A 51 4.725 -6.121 4.755 1.00 0.00 H new ATOM 0 HA HIS A 51 5.988 -6.515 7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.543 -8.292 5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.780 -8.994 6.463 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.380 -8.014 9.180 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.125 -8.618 6.612 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.328 -8.256 10.663 1.00 0.00 H new ATOM 579 N SER A 52 8.128 -7.585 6.456 1.00 0.00 N ATOM 580 CA SER A 52 9.455 -7.862 5.938 1.00 0.00 C ATOM 581 C SER A 52 9.835 -9.315 6.197 1.00 0.00 C ATOM 582 O SER A 52 9.643 -9.828 7.302 1.00 0.00 O ATOM 583 CB SER A 52 10.475 -6.923 6.579 1.00 0.00 C ATOM 584 OG SER A 52 10.781 -5.843 5.720 1.00 0.00 O ATOM 0 H SER A 52 8.000 -7.834 7.437 1.00 0.00 H new ATOM 0 HA SER A 52 9.452 -7.694 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.082 -6.542 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.385 -7.475 6.813 1.00 0.00 H new ATOM 0 HG SER A 52 11.435 -5.255 6.153 1.00 0.00 H new ATOM 590 N THR A 53 10.352 -9.979 5.173 1.00 0.00 N ATOM 591 CA THR A 53 10.719 -11.385 5.274 1.00 0.00 C ATOM 592 C THR A 53 12.232 -11.575 5.371 1.00 0.00 C ATOM 593 O THR A 53 12.713 -12.676 5.645 1.00 0.00 O ATOM 594 CB THR A 53 10.207 -12.149 4.041 1.00 0.00 C ATOM 595 OG1 THR A 53 9.999 -11.227 2.959 1.00 0.00 O ATOM 596 CG2 THR A 53 8.907 -12.875 4.352 1.00 0.00 C ATOM 0 H THR A 53 10.528 -9.564 4.258 1.00 0.00 H new ATOM 0 HA THR A 53 10.262 -11.773 6.184 1.00 0.00 H new ATOM 0 HB THR A 53 10.954 -12.890 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.861 -11.003 2.550 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.566 -13.407 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.072 -13.587 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.150 -12.152 4.654 1.00 0.00 H new ATOM 604 N ASN A 54 12.980 -10.500 5.171 1.00 0.00 N ATOM 605 CA ASN A 54 14.423 -10.596 5.001 1.00 0.00 C ATOM 606 C ASN A 54 15.130 -9.561 5.853 1.00 0.00 C ATOM 607 O ASN A 54 14.503 -8.611 6.334 1.00 0.00 O ATOM 608 CB ASN A 54 14.799 -10.399 3.525 1.00 0.00 C ATOM 609 CG ASN A 54 13.587 -10.150 2.641 1.00 0.00 C ATOM 610 OD1 ASN A 54 12.897 -11.087 2.235 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.306 -8.886 2.357 1.00 0.00 N ATOM 0 H ASN A 54 12.612 -9.550 5.122 1.00 0.00 H new ATOM 0 HA ASN A 54 14.740 -11.589 5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.486 -9.558 3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.329 -11.282 3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.493 -8.661 1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.902 -8.139 2.712 1.00 0.00 H new ATOM 618 N VAL A 55 16.428 -9.742 6.040 1.00 0.00 N ATOM 619 CA VAL A 55 17.220 -8.803 6.816 1.00 0.00 C ATOM 620 C VAL A 55 17.597 -7.611 5.955 1.00 0.00 C ATOM 621 O VAL A 55 17.902 -7.757 4.770 1.00 0.00 O ATOM 622 CB VAL A 55 18.505 -9.439 7.390 1.00 0.00 C ATOM 623 CG1 VAL A 55 19.030 -8.619 8.559 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.254 -10.876 7.823 1.00 0.00 C ATOM 0 H VAL A 55 16.955 -10.531 5.665 1.00 0.00 H new ATOM 0 HA VAL A 55 16.603 -8.488 7.657 1.00 0.00 H new ATOM 0 HB VAL A 55 19.259 -9.446 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.936 -9.082 8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.256 -7.608 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.275 -8.579 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.174 -11.301 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.481 -10.895 8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.927 -11.463 6.965 1.00 0.00 H new ATOM 634 N ASN A 56 17.518 -6.436 6.556 1.00 0.00 N ATOM 635 CA ASN A 56 17.860 -5.177 5.902 1.00 0.00 C ATOM 636 C ASN A 56 16.835 -4.837 4.844 1.00 0.00 C ATOM 637 O ASN A 56 17.104 -4.070 3.920 1.00 0.00 O ATOM 638 CB ASN A 56 19.265 -5.189 5.291 1.00 0.00 C ATOM 639 CG ASN A 56 20.333 -4.817 6.298 1.00 0.00 C ATOM 640 OD1 ASN A 56 21.416 -5.407 6.323 1.00 0.00 O ATOM 641 ND2 ASN A 56 20.043 -3.822 7.124 1.00 0.00 N ATOM 0 H ASN A 56 17.212 -6.324 7.522 1.00 0.00 H new ATOM 0 HA ASN A 56 17.854 -4.409 6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.476 -6.181 4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.300 -4.493 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.728 -3.517 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.135 -3.362 7.069 1.00 0.00 H new ATOM 648 N ALA A 57 15.651 -5.414 4.984 1.00 0.00 N ATOM 649 CA ALA A 57 14.517 -5.002 4.183 1.00 0.00 C ATOM 650 C ALA A 57 13.993 -3.692 4.750 1.00 0.00 C ATOM 651 O ALA A 57 12.865 -3.603 5.238 1.00 0.00 O ATOM 652 CB ALA A 57 13.447 -6.080 4.175 1.00 0.00 C ATOM 0 H ALA A 57 15.454 -6.167 5.644 1.00 0.00 H new ATOM 0 HA ALA A 57 14.817 -4.852 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.604 -5.751 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.859 -6.998 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.109 -6.265 5.195 1.00 0.00 H new ATOM 658 N ASP A 58 14.863 -2.691 4.702 1.00 0.00 N ATOM 659 CA ASP A 58 14.629 -1.395 5.315 1.00 0.00 C ATOM 660 C ASP A 58 13.621 -0.599 4.514 1.00 0.00 C ATOM 661 O ASP A 58 13.977 0.334 3.796 1.00 0.00 O ATOM 662 CB ASP A 58 15.945 -0.623 5.395 1.00 0.00 C ATOM 663 CG ASP A 58 16.548 -0.636 6.779 1.00 0.00 C ATOM 664 OD1 ASP A 58 16.037 0.081 7.658 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.547 -1.358 6.991 1.00 0.00 O ATOM 0 H ASP A 58 15.764 -2.760 4.228 1.00 0.00 H new ATOM 0 HA ASP A 58 14.231 -1.550 6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.656 -1.053 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.775 0.409 5.087 1.00 0.00 H new ATOM 670 N MET A 59 12.368 -0.970 4.641 1.00 0.00 N ATOM 671 CA MET A 59 11.324 -0.351 3.863 1.00 0.00 C ATOM 672 C MET A 59 10.366 0.395 4.770 1.00 0.00 C ATOM 673 O MET A 59 9.829 -0.163 5.723 1.00 0.00 O ATOM 674 CB MET A 59 10.587 -1.411 3.043 1.00 0.00 C ATOM 675 CG MET A 59 11.493 -2.166 2.078 1.00 0.00 C ATOM 676 SD MET A 59 10.700 -3.623 1.371 1.00 0.00 S ATOM 677 CE MET A 59 10.330 -4.559 2.852 1.00 0.00 C ATOM 0 H MET A 59 12.048 -1.700 5.278 1.00 0.00 H new ATOM 0 HA MET A 59 11.769 0.369 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.117 -2.123 3.721 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.786 -0.932 2.479 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.797 -1.497 1.273 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.400 -2.469 2.600 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.504 -5.619 2.666 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.974 -4.223 3.665 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.287 -4.406 3.128 1.00 0.00 H new ATOM 687 N THR A 60 10.176 1.663 4.480 1.00 0.00 N ATOM 688 CA THR A 60 9.259 2.483 5.238 1.00 0.00 C ATOM 689 C THR A 60 7.955 2.628 4.471 1.00 0.00 C ATOM 690 O THR A 60 7.963 3.016 3.299 1.00 0.00 O ATOM 691 CB THR A 60 9.867 3.871 5.512 1.00 0.00 C ATOM 692 OG1 THR A 60 11.266 3.861 5.181 1.00 0.00 O ATOM 693 CG2 THR A 60 9.689 4.261 6.969 1.00 0.00 C ATOM 0 H THR A 60 10.648 2.151 3.719 1.00 0.00 H new ATOM 0 HA THR A 60 9.066 2.000 6.196 1.00 0.00 H new ATOM 0 HB THR A 60 9.349 4.603 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.650 4.746 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.126 5.245 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.627 4.290 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.186 3.529 7.605 1.00 0.00 H new ATOM 701 N LEU A 61 6.843 2.296 5.114 1.00 0.00 N ATOM 702 CA LEU A 61 5.550 2.373 4.457 1.00 0.00 C ATOM 703 C LEU A 61 5.008 3.783 4.572 1.00 0.00 C ATOM 704 O LEU A 61 4.622 4.226 5.647 1.00 0.00 O ATOM 705 CB LEU A 61 4.560 1.376 5.058 1.00 0.00 C ATOM 706 CG LEU A 61 3.202 1.320 4.353 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.374 0.952 2.887 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.283 0.334 5.048 1.00 0.00 C ATOM 0 H LEU A 61 6.812 1.974 6.081 1.00 0.00 H new ATOM 0 HA LEU A 61 5.682 2.116 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.007 0.382 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.400 1.630 6.106 1.00 0.00 H new ATOM 0 HG LEU A 61 2.747 2.309 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.398 0.917 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.996 1.699 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.851 -0.025 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.322 0.307 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.733 -0.659 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.132 0.644 6.082 1.00 0.00 H new ATOM 720 N ILE A 62 4.997 4.488 3.466 1.00 0.00 N ATOM 721 CA ILE A 62 4.623 5.884 3.473 1.00 0.00 C ATOM 722 C ILE A 62 3.393 6.122 2.593 1.00 0.00 C ATOM 723 O ILE A 62 3.300 5.593 1.486 1.00 0.00 O ATOM 724 CB ILE A 62 5.829 6.752 3.035 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.456 8.227 2.919 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.421 6.247 1.729 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.652 9.109 2.652 1.00 0.00 C ATOM 0 H ILE A 62 5.243 4.118 2.548 1.00 0.00 H new ATOM 0 HA ILE A 62 4.348 6.178 4.486 1.00 0.00 H new ATOM 0 HB ILE A 62 6.586 6.663 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.730 8.352 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.970 8.549 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.266 6.875 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.760 5.219 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.663 6.285 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.329 10.147 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.368 9.008 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.124 8.809 1.716 1.00 0.00 H new ATOM 739 N LEU A 63 2.436 6.882 3.122 1.00 0.00 N ATOM 740 CA LEU A 63 1.201 7.184 2.408 1.00 0.00 C ATOM 741 C LEU A 63 1.452 8.280 1.383 1.00 0.00 C ATOM 742 O LEU A 63 2.103 9.288 1.682 1.00 0.00 O ATOM 743 CB LEU A 63 0.104 7.597 3.390 1.00 0.00 C ATOM 744 CG LEU A 63 -1.244 6.902 3.203 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.242 7.368 4.250 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.792 7.137 1.806 1.00 0.00 C ATOM 0 H LEU A 63 2.495 7.302 4.050 1.00 0.00 H new ATOM 0 HA LEU A 63 0.864 6.289 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.456 7.402 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.047 8.673 3.307 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.086 5.831 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.194 6.860 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.862 7.134 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.387 8.445 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.752 6.631 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.926 8.206 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.092 6.743 1.069 1.00 0.00 H new ATOM 758 N LEU A 64 0.913 8.071 0.190 1.00 0.00 N ATOM 759 CA LEU A 64 1.342 8.784 -0.996 1.00 0.00 C ATOM 760 C LEU A 64 0.191 9.381 -1.803 1.00 0.00 C ATOM 761 O LEU A 64 -0.985 9.199 -1.509 1.00 0.00 O ATOM 762 CB LEU A 64 2.227 7.912 -1.884 1.00 0.00 C ATOM 763 CG LEU A 64 3.721 8.239 -1.812 1.00 0.00 C ATOM 764 CD1 LEU A 64 4.015 9.597 -2.419 1.00 0.00 C ATOM 765 CD2 LEU A 64 4.206 8.205 -0.375 1.00 0.00 C ATOM 0 H LEU A 64 0.164 7.399 0.021 1.00 0.00 H new ATOM 0 HA LEU A 64 1.931 9.626 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.083 6.868 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.895 8.014 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 64 4.252 7.481 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.084 9.801 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.708 9.602 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.465 10.365 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.270 8.440 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.655 8.940 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.042 7.211 0.041 1.00 0.00 H new ATOM 777 N ARG A 65 0.617 10.109 -2.807 1.00 0.00 N ATOM 778 CA ARG A 65 -0.143 11.076 -3.583 1.00 0.00 C ATOM 779 C ARG A 65 -0.941 10.481 -4.741 1.00 0.00 C ATOM 780 O ARG A 65 -1.245 9.291 -4.779 1.00 0.00 O ATOM 781 CB ARG A 65 0.845 12.069 -4.136 1.00 0.00 C ATOM 782 CG ARG A 65 0.936 13.360 -3.340 1.00 0.00 C ATOM 783 CD ARG A 65 -0.371 14.132 -3.382 1.00 0.00 C ATOM 784 NE ARG A 65 -0.255 15.437 -2.739 1.00 0.00 N ATOM 785 CZ ARG A 65 -0.764 15.725 -1.541 1.00 0.00 C ATOM 786 NH1 ARG A 65 -1.462 14.811 -0.871 1.00 0.00 N ATOM 787 NH2 ARG A 65 -0.586 16.932 -1.021 1.00 0.00 N ATOM 0 H ARG A 65 1.581 10.039 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.882 11.521 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.831 11.605 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.569 12.307 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.193 13.133 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.739 13.979 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.681 14.265 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.151 13.552 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 65 0.246 16.173 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.609 13.886 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.849 15.036 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.061 17.637 -1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.974 17.155 -0.105 1.00 0.00 H new ATOM 801 N ASN A 66 -1.344 11.399 -5.624 1.00 0.00 N ATOM 802 CA ASN A 66 -2.115 11.117 -6.837 1.00 0.00 C ATOM 803 C ASN A 66 -1.518 9.973 -7.642 1.00 0.00 C ATOM 804 O ASN A 66 -0.337 9.677 -7.528 1.00 0.00 O ATOM 805 CB ASN A 66 -2.031 12.363 -7.731 1.00 0.00 C ATOM 806 CG ASN A 66 -0.566 12.724 -8.035 1.00 0.00 C ATOM 807 OD1 ASN A 66 -0.042 13.712 -7.518 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.099 11.924 -8.876 1.00 0.00 N ATOM 0 H ASN A 66 -1.136 12.391 -5.510 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.131 10.854 -6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.566 12.183 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.522 13.202 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.072 12.124 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.367 11.114 -9.285 1.00 0.00 H new ATOM 815 N VAL A 67 -2.320 9.375 -8.502 1.00 0.00 N ATOM 816 CA VAL A 67 -1.841 8.289 -9.332 1.00 0.00 C ATOM 817 C VAL A 67 -2.238 8.498 -10.791 1.00 0.00 C ATOM 818 O VAL A 67 -3.398 8.768 -11.109 1.00 0.00 O ATOM 819 CB VAL A 67 -2.340 6.926 -8.813 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.834 6.961 -8.529 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.005 5.804 -9.787 1.00 0.00 C ATOM 0 H VAL A 67 -3.300 9.621 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.752 8.286 -9.277 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.820 6.724 -7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.158 5.986 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.043 7.719 -7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.373 7.203 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.371 4.857 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.479 6.003 -10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.925 5.748 -9.920 1.00 0.00 H new ATOM 831 N GLY A 68 -1.247 8.386 -11.664 1.00 0.00 N ATOM 832 CA GLY A 68 -1.444 8.636 -13.078 1.00 0.00 C ATOM 833 C GLY A 68 -0.200 9.237 -13.689 1.00 0.00 C ATOM 834 O GLY A 68 0.239 8.840 -14.767 1.00 0.00 O ATOM 0 H GLY A 68 -0.294 8.122 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.692 7.704 -13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.288 9.311 -13.220 1.00 0.00 H new ATOM 838 N GLY A 69 0.367 10.199 -12.976 1.00 0.00 N ATOM 839 CA GLY A 69 1.635 10.783 -13.361 1.00 0.00 C ATOM 840 C GLY A 69 2.625 10.717 -12.218 1.00 0.00 C ATOM 841 O GLY A 69 2.235 10.452 -11.077 1.00 0.00 O ATOM 0 H GLY A 69 -0.036 10.590 -12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.036 10.255 -14.226 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.487 11.820 -13.661 1.00 0.00 H new ATOM 845 N ASN A 70 3.896 10.956 -12.507 1.00 0.00 N ATOM 846 CA ASN A 70 4.937 10.847 -11.490 1.00 0.00 C ATOM 847 C ASN A 70 4.945 12.069 -10.574 1.00 0.00 C ATOM 848 O ASN A 70 5.726 13.002 -10.762 1.00 0.00 O ATOM 849 CB ASN A 70 6.313 10.664 -12.140 1.00 0.00 C ATOM 850 CG ASN A 70 7.333 10.077 -11.181 1.00 0.00 C ATOM 851 OD1 ASN A 70 8.238 10.770 -10.714 1.00 0.00 O ATOM 852 ND2 ASN A 70 7.193 8.796 -10.880 1.00 0.00 N ATOM 0 H ASN A 70 4.232 11.225 -13.432 1.00 0.00 H new ATOM 0 HA ASN A 70 4.716 9.968 -10.884 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.218 10.012 -13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.672 11.627 -12.502 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.848 8.348 -10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.430 8.257 -11.288 1.00 0.00 H new ATOM 859 N GLY A 71 4.052 12.059 -9.593 1.00 0.00 N ATOM 860 CA GLY A 71 4.011 13.112 -8.598 1.00 0.00 C ATOM 861 C GLY A 71 3.953 12.536 -7.200 1.00 0.00 C ATOM 862 O GLY A 71 3.099 12.899 -6.395 1.00 0.00 O ATOM 0 H GLY A 71 3.348 11.331 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.892 13.746 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.141 13.746 -8.770 1.00 0.00 H new ATOM 866 N TRP A 72 4.864 11.620 -6.923 1.00 0.00 N ATOM 867 CA TRP A 72 4.869 10.892 -5.668 1.00 0.00 C ATOM 868 C TRP A 72 5.707 11.601 -4.606 1.00 0.00 C ATOM 869 O TRP A 72 6.814 11.163 -4.290 1.00 0.00 O ATOM 870 CB TRP A 72 5.409 9.482 -5.921 1.00 0.00 C ATOM 871 CG TRP A 72 4.545 8.685 -6.850 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.865 8.214 -8.088 1.00 0.00 C ATOM 873 CD2 TRP A 72 3.205 8.279 -6.611 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.804 7.529 -8.626 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.770 7.556 -7.735 1.00 0.00 C ATOM 876 CE3 TRP A 72 2.339 8.456 -5.548 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.495 7.012 -7.819 1.00 0.00 C ATOM 878 CZ3 TRP A 72 1.081 7.924 -5.628 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.663 7.208 -6.752 1.00 0.00 C ATOM 0 H TRP A 72 5.618 11.361 -7.559 1.00 0.00 H new ATOM 0 HA TRP A 72 3.849 10.841 -5.287 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.414 9.553 -6.338 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.495 8.955 -4.971 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.817 8.359 -8.576 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.790 7.075 -9.539 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.650 9.004 -4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.175 6.458 -8.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.396 8.061 -4.804 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.337 6.801 -6.779 1.00 0.00 H new ATOM 890 N GLY A 73 5.168 12.680 -4.037 1.00 0.00 N ATOM 891 CA GLY A 73 5.913 13.436 -3.044 1.00 0.00 C ATOM 892 C GLY A 73 5.163 13.658 -1.733 1.00 0.00 C ATOM 893 O GLY A 73 5.442 14.622 -1.023 1.00 0.00 O ATOM 0 H GLY A 73 4.237 13.041 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.846 12.914 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.179 14.405 -3.466 1.00 0.00 H new ATOM 897 N GLU A 74 4.212 12.783 -1.410 1.00 0.00 N ATOM 898 CA GLU A 74 3.531 12.846 -0.112 1.00 0.00 C ATOM 899 C GLU A 74 4.347 12.072 0.924 1.00 0.00 C ATOM 900 O GLU A 74 5.088 11.156 0.568 1.00 0.00 O ATOM 901 CB GLU A 74 2.104 12.286 -0.214 1.00 0.00 C ATOM 902 CG GLU A 74 1.247 12.489 1.036 1.00 0.00 C ATOM 903 CD GLU A 74 1.308 13.899 1.602 1.00 0.00 C ATOM 904 OE1 GLU A 74 2.306 14.237 2.271 1.00 0.00 O ATOM 905 OE2 GLU A 74 0.356 14.672 1.399 1.00 0.00 O ATOM 0 H GLU A 74 3.896 12.029 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 74 3.452 13.887 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.604 12.755 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.162 11.219 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.211 12.248 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.569 11.785 1.804 1.00 0.00 H new ATOM 912 N ILE A 75 4.221 12.439 2.193 1.00 0.00 N ATOM 913 CA ILE A 75 5.101 11.898 3.217 1.00 0.00 C ATOM 914 C ILE A 75 4.374 11.527 4.515 1.00 0.00 C ATOM 915 O ILE A 75 4.614 12.140 5.559 1.00 0.00 O ATOM 916 CB ILE A 75 6.239 12.891 3.551 1.00 0.00 C ATOM 917 CG1 ILE A 75 5.789 14.333 3.306 1.00 0.00 C ATOM 918 CG2 ILE A 75 7.482 12.576 2.731 1.00 0.00 C ATOM 919 CD1 ILE A 75 5.921 15.220 4.520 1.00 0.00 C ATOM 0 H ILE A 75 3.525 13.102 2.534 1.00 0.00 H new ATOM 0 HA ILE A 75 5.509 10.981 2.791 1.00 0.00 H new ATOM 0 HB ILE A 75 6.485 12.783 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.378 14.755 2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.749 14.330 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.271 13.285 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.819 11.564 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.247 12.653 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.584 16.227 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.310 14.821 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.964 15.253 4.835 1.00 0.00 H new ATOM 931 N LYS A 76 3.492 10.528 4.469 1.00 0.00 N ATOM 932 CA LYS A 76 2.945 9.966 5.705 1.00 0.00 C ATOM 933 C LYS A 76 3.658 8.654 6.037 1.00 0.00 C ATOM 934 O LYS A 76 3.253 7.591 5.579 1.00 0.00 O ATOM 935 CB LYS A 76 1.435 9.739 5.593 1.00 0.00 C ATOM 936 CG LYS A 76 0.731 9.669 6.942 1.00 0.00 C ATOM 937 CD LYS A 76 0.632 8.238 7.450 1.00 0.00 C ATOM 938 CE LYS A 76 0.296 8.192 8.932 1.00 0.00 C ATOM 939 NZ LYS A 76 1.435 7.698 9.753 1.00 0.00 N ATOM 0 H LYS A 76 3.147 10.099 3.610 1.00 0.00 H new ATOM 0 HA LYS A 76 3.113 10.681 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.997 10.545 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.254 8.812 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.273 10.276 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.269 10.094 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.132 7.703 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.576 7.723 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.013 9.189 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.568 7.546 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.330 8.035 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.444 6.658 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.328 8.055 9.358 1.00 0.00 H new ATOM 953 N ARG A 77 4.705 8.729 6.845 1.00 0.00 N ATOM 954 CA ARG A 77 5.586 7.585 7.057 1.00 0.00 C ATOM 955 C ARG A 77 5.148 6.717 8.236 1.00 0.00 C ATOM 956 O ARG A 77 4.919 7.211 9.341 1.00 0.00 O ATOM 957 CB ARG A 77 7.019 8.066 7.285 1.00 0.00 C ATOM 958 CG ARG A 77 7.961 7.754 6.135 1.00 0.00 C ATOM 959 CD ARG A 77 8.973 8.870 5.929 1.00 0.00 C ATOM 960 NE ARG A 77 10.027 8.848 6.942 1.00 0.00 N ATOM 961 CZ ARG A 77 10.125 9.724 7.944 1.00 0.00 C ATOM 962 NH1 ARG A 77 9.234 10.706 8.067 1.00 0.00 N ATOM 963 NH2 ARG A 77 11.114 9.615 8.820 1.00 0.00 N ATOM 0 H ARG A 77 4.967 9.567 7.365 1.00 0.00 H new ATOM 0 HA ARG A 77 5.531 6.970 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.009 9.143 7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.406 7.606 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.484 6.819 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.386 7.609 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.420 8.776 4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.462 9.832 5.958 1.00 0.00 H new ATOM 0 HE ARG A 77 10.734 8.115 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.473 10.791 7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.313 11.373 8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.797 8.863 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.192 10.283 9.587 1.00 0.00 H new ATOM 977 N ASN A 78 5.029 5.421 7.982 1.00 0.00 N ATOM 978 CA ASN A 78 4.829 4.435 9.034 1.00 0.00 C ATOM 979 C ASN A 78 6.012 3.473 9.050 1.00 0.00 C ATOM 980 O ASN A 78 6.698 3.306 8.037 1.00 0.00 O ATOM 981 CB ASN A 78 3.525 3.657 8.830 1.00 0.00 C ATOM 982 CG ASN A 78 2.521 3.900 9.945 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.392 5.015 10.451 1.00 0.00 O ATOM 984 ND2 ASN A 78 1.800 2.855 10.332 1.00 0.00 N ATOM 0 H ASN A 78 5.068 5.025 7.043 1.00 0.00 H new ATOM 0 HA ASN A 78 4.759 4.956 9.989 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.081 3.943 7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.747 2.591 8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.108 2.959 11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.937 1.948 9.887 1.00 0.00 H new ATOM 991 N ASP A 79 6.233 2.837 10.190 1.00 0.00 N ATOM 992 CA ASP A 79 7.416 2.001 10.400 1.00 0.00 C ATOM 993 C ASP A 79 7.315 0.670 9.652 1.00 0.00 C ATOM 994 O ASP A 79 6.283 0.354 9.057 1.00 0.00 O ATOM 995 CB ASP A 79 7.587 1.742 11.895 1.00 0.00 C ATOM 996 CG ASP A 79 9.025 1.503 12.297 1.00 0.00 C ATOM 997 OD1 ASP A 79 9.790 2.483 12.396 1.00 0.00 O ATOM 998 OD2 ASP A 79 9.385 0.332 12.532 1.00 0.00 O ATOM 0 H ASP A 79 5.606 2.882 10.993 1.00 0.00 H new ATOM 0 HA ASP A 79 8.282 2.533 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.198 2.594 12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.989 0.876 12.178 1.00 0.00 H new ATOM 1003 N ILE A 80 8.395 -0.106 9.697 1.00 0.00 N ATOM 1004 CA ILE A 80 8.442 -1.408 9.045 1.00 0.00 C ATOM 1005 C ILE A 80 7.735 -2.457 9.901 1.00 0.00 C ATOM 1006 O ILE A 80 7.733 -2.363 11.132 1.00 0.00 O ATOM 1007 CB ILE A 80 9.904 -1.844 8.771 1.00 0.00 C ATOM 1008 CG1 ILE A 80 9.951 -3.181 8.023 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.693 -1.936 10.069 1.00 0.00 C ATOM 1010 CD1 ILE A 80 9.391 -3.118 6.618 1.00 0.00 C ATOM 0 H ILE A 80 9.255 0.149 10.183 1.00 0.00 H new ATOM 0 HA ILE A 80 7.926 -1.322 8.088 1.00 0.00 H new ATOM 0 HB ILE A 80 10.364 -1.084 8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.985 -3.524 7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.394 -3.925 8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.716 -2.244 9.852 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.703 -0.962 10.559 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.226 -2.668 10.728 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.459 -4.102 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.347 -2.807 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.963 -2.400 6.030 1.00 0.00 H new ATOM 1022 N ASP A 81 7.135 -3.445 9.238 1.00 0.00 N ATOM 1023 CA ASP A 81 6.338 -4.472 9.902 1.00 0.00 C ATOM 1024 C ASP A 81 5.245 -3.817 10.727 1.00 0.00 C ATOM 1025 O ASP A 81 5.047 -4.127 11.902 1.00 0.00 O ATOM 1026 CB ASP A 81 7.207 -5.386 10.771 1.00 0.00 C ATOM 1027 CG ASP A 81 6.859 -6.847 10.576 1.00 0.00 C ATOM 1028 OD1 ASP A 81 7.023 -7.360 9.446 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.419 -7.497 11.547 1.00 0.00 O ATOM 0 H ASP A 81 7.189 -3.555 8.225 1.00 0.00 H new ATOM 0 HA ASP A 81 5.880 -5.099 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.258 -5.227 10.528 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.079 -5.119 11.820 1.00 0.00 H new ATOM 1034 N LYS A 82 4.544 -2.895 10.088 1.00 0.00 N ATOM 1035 CA LYS A 82 3.534 -2.097 10.759 1.00 0.00 C ATOM 1036 C LYS A 82 2.365 -1.814 9.831 1.00 0.00 C ATOM 1037 O LYS A 82 2.549 -1.586 8.632 1.00 0.00 O ATOM 1038 CB LYS A 82 4.133 -0.779 11.249 1.00 0.00 C ATOM 1039 CG LYS A 82 4.027 -0.593 12.752 1.00 0.00 C ATOM 1040 CD LYS A 82 5.364 -0.204 13.356 1.00 0.00 C ATOM 1041 CE LYS A 82 6.173 -1.424 13.768 1.00 0.00 C ATOM 1042 NZ LYS A 82 7.597 -1.084 14.025 1.00 0.00 N ATOM 0 H LYS A 82 4.658 -2.680 9.097 1.00 0.00 H new ATOM 0 HA LYS A 82 3.172 -2.665 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.182 -0.734 10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.628 0.049 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.288 0.177 12.974 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.673 -1.516 13.211 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.932 0.382 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.199 0.433 14.225 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.737 -1.863 14.665 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.116 -2.179 12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.118 -1.945 14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.016 -0.673 13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.655 -0.395 14.802 1.00 0.00 H new ATOM 1056 N PRO A 83 1.145 -1.852 10.373 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.063 -1.550 9.629 1.00 0.00 C ATOM 1058 C PRO A 83 -0.344 -0.054 9.578 1.00 0.00 C ATOM 1059 O PRO A 83 -0.543 0.586 10.609 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.171 -2.270 10.418 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.505 -2.881 11.617 1.00 0.00 C ATOM 1062 CD PRO A 83 0.830 -2.209 11.756 1.00 0.00 C ATOM 0 HA PRO A 83 0.012 -1.871 8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.950 -1.571 10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.649 -3.035 9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.108 -2.733 12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.386 -3.957 11.488 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.778 -1.332 12.401 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.578 -2.876 12.184 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.332 0.505 8.381 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.743 1.881 8.188 1.00 0.00 C ATOM 1072 C LEU A 84 -2.255 1.931 8.081 1.00 0.00 C ATOM 1073 O LEU A 84 -2.831 1.529 7.071 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.099 2.482 6.936 1.00 0.00 C ATOM 1075 CG LEU A 84 0.317 3.954 7.065 1.00 0.00 C ATOM 1076 CD1 LEU A 84 1.294 4.336 5.963 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -0.905 4.862 7.027 1.00 0.00 C ATOM 0 H LEU A 84 -0.042 0.026 7.529 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.412 2.473 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.781 1.892 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.798 2.389 6.105 1.00 0.00 H new ATOM 0 HG LEU A 84 0.815 4.083 8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.576 5.383 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.184 3.711 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.823 4.188 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.589 5.901 7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.430 4.725 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.571 4.610 7.852 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.889 2.385 9.144 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.335 2.498 9.181 1.00 0.00 C ATOM 1091 C LYS A 85 -4.723 3.920 9.538 1.00 0.00 C ATOM 1092 O LYS A 85 -4.554 4.350 10.681 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.948 1.518 10.194 1.00 0.00 C ATOM 1094 CG LYS A 85 -3.928 0.670 10.940 1.00 0.00 C ATOM 1095 CD LYS A 85 -3.822 1.080 12.398 1.00 0.00 C ATOM 1096 CE LYS A 85 -2.460 0.734 12.971 1.00 0.00 C ATOM 1097 NZ LYS A 85 -2.502 0.539 14.443 1.00 0.00 N ATOM 0 H LYS A 85 -2.422 2.684 10.000 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.723 2.246 8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.534 2.083 10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.639 0.857 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.211 -0.381 10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.953 0.767 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.996 2.152 12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.600 0.580 12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.089 -0.174 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.755 1.530 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.550 0.305 14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.831 1.413 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.155 -0.238 14.672 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.217 4.651 8.559 1.00 0.00 N ATOM 1112 CA TYR A 86 -5.604 6.030 8.781 1.00 0.00 C ATOM 1113 C TYR A 86 -7.007 6.098 9.361 1.00 0.00 C ATOM 1114 O TYR A 86 -7.967 5.621 8.755 1.00 0.00 O ATOM 1115 CB TYR A 86 -5.512 6.840 7.487 1.00 0.00 C ATOM 1116 CG TYR A 86 -4.669 8.090 7.625 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -3.809 8.252 8.704 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -4.734 9.109 6.682 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -3.039 9.391 8.841 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -3.966 10.252 6.811 1.00 0.00 C ATOM 1121 CZ TYR A 86 -3.120 10.387 7.894 1.00 0.00 C ATOM 1122 OH TYR A 86 -2.351 11.520 8.030 1.00 0.00 O ATOM 0 H TYR A 86 -5.360 4.316 7.606 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.911 6.468 9.499 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.092 6.211 6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.516 7.120 7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.741 7.473 9.449 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.395 9.007 5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.377 9.499 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.028 11.034 6.069 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.524 12.125 7.279 1.00 0.00 H new ATOM 1132 N GLU A 87 -7.101 6.683 10.547 1.00 0.00 N ATOM 1133 CA GLU A 87 -8.357 6.802 11.274 1.00 0.00 C ATOM 1134 C GLU A 87 -9.386 7.621 10.494 1.00 0.00 C ATOM 1135 O GLU A 87 -10.593 7.467 10.691 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.096 7.441 12.646 1.00 0.00 C ATOM 1137 CG GLU A 87 -7.496 8.845 12.574 1.00 0.00 C ATOM 1138 CD GLU A 87 -5.979 8.848 12.455 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -5.380 7.760 12.302 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -5.378 9.940 12.504 1.00 0.00 O ATOM 0 H GLU A 87 -6.303 7.091 11.035 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.770 5.802 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.034 7.486 13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.423 6.798 13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.921 9.370 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.784 9.402 13.466 1.00 0.00 H new ATOM 1147 N ASP A 88 -8.907 8.474 9.600 1.00 0.00 N ATOM 1148 CA ASP A 88 -9.779 9.346 8.827 1.00 0.00 C ATOM 1149 C ASP A 88 -9.285 9.451 7.388 1.00 0.00 C ATOM 1150 O ASP A 88 -8.078 9.462 7.139 1.00 0.00 O ATOM 1151 CB ASP A 88 -9.833 10.734 9.473 1.00 0.00 C ATOM 1152 CG ASP A 88 -10.678 11.723 8.692 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -11.655 11.301 8.041 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -10.363 12.930 8.727 1.00 0.00 O ATOM 0 H ASP A 88 -7.914 8.581 9.392 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.783 8.921 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.232 10.643 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.820 11.125 9.565 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.218 9.515 6.449 1.00 0.00 N ATOM 1160 CA TYR A 89 -9.884 9.648 5.035 1.00 0.00 C ATOM 1161 C TYR A 89 -10.302 11.018 4.523 1.00 0.00 C ATOM 1162 O TYR A 89 -10.173 11.311 3.330 1.00 0.00 O ATOM 1163 CB TYR A 89 -10.550 8.555 4.198 1.00 0.00 C ATOM 1164 CG TYR A 89 -11.581 7.741 4.950 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -12.898 8.173 5.053 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -11.234 6.542 5.560 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -13.838 7.434 5.743 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -12.167 5.797 6.252 1.00 0.00 C ATOM 1169 CZ TYR A 89 -13.468 6.247 6.340 1.00 0.00 C ATOM 1170 OH TYR A 89 -14.401 5.510 7.034 1.00 0.00 O ATOM 0 H TYR A 89 -11.219 9.477 6.641 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.804 9.539 4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -11.027 9.015 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.780 7.884 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -13.191 9.102 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.216 6.187 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -14.857 7.783 5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.880 4.868 6.722 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.979 4.701 7.392 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.814 11.837 5.443 1.00 0.00 N ATOM 1181 CA TYR A 90 -11.137 13.240 5.189 1.00 0.00 C ATOM 1182 C TYR A 90 -12.396 13.395 4.342 1.00 0.00 C ATOM 1183 O TYR A 90 -12.858 12.452 3.697 1.00 0.00 O ATOM 1184 CB TYR A 90 -9.943 13.971 4.557 1.00 0.00 C ATOM 1185 CG TYR A 90 -8.675 13.812 5.370 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -8.420 14.628 6.463 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -7.753 12.818 5.066 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -7.279 14.464 7.223 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -6.616 12.642 5.825 1.00 0.00 C ATOM 1190 CZ TYR A 90 -6.382 13.467 6.904 1.00 0.00 C ATOM 1191 OH TYR A 90 -5.258 13.290 7.674 1.00 0.00 O ATOM 0 H TYR A 90 -11.018 11.540 6.397 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.347 13.704 6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.777 13.588 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.179 15.031 4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.125 15.404 6.723 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.931 12.171 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.090 15.114 8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.912 11.862 5.576 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.849 12.425 7.462 1.00 0.00 H new ATOM 1201 N THR A 91 -12.945 14.603 4.366 1.00 0.00 N ATOM 1202 CA THR A 91 -14.201 14.914 3.699 1.00 0.00 C ATOM 1203 C THR A 91 -14.140 14.637 2.199 1.00 0.00 C ATOM 1204 O THR A 91 -15.121 14.209 1.594 1.00 0.00 O ATOM 1205 CB THR A 91 -14.551 16.389 3.929 1.00 0.00 C ATOM 1206 OG1 THR A 91 -13.448 17.033 4.588 1.00 0.00 O ATOM 1207 CG2 THR A 91 -15.808 16.521 4.776 1.00 0.00 C ATOM 0 H THR A 91 -12.529 15.398 4.851 1.00 0.00 H new ATOM 0 HA THR A 91 -14.969 14.269 4.125 1.00 0.00 H new ATOM 0 HB THR A 91 -14.740 16.864 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.495 16.857 5.551 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.037 17.576 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.642 16.038 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.647 16.044 5.743 1.00 0.00 H new ATOM 1215 N SER A 92 -12.989 14.894 1.604 1.00 0.00 N ATOM 1216 CA SER A 92 -12.795 14.647 0.189 1.00 0.00 C ATOM 1217 C SER A 92 -11.349 14.261 -0.089 1.00 0.00 C ATOM 1218 O SER A 92 -10.585 15.032 -0.675 1.00 0.00 O ATOM 1219 CB SER A 92 -13.196 15.879 -0.629 1.00 0.00 C ATOM 1220 OG SER A 92 -14.604 16.068 -0.598 1.00 0.00 O ATOM 0 H SER A 92 -12.172 15.275 2.082 1.00 0.00 H new ATOM 0 HA SER A 92 -13.434 13.816 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.697 16.763 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.863 15.761 -1.660 1.00 0.00 H new ATOM 0 HG SER A 92 -15.010 15.406 -0.001 1.00 0.00 H new ATOM 1226 N GLY A 93 -10.970 13.075 0.369 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.643 12.566 0.100 1.00 0.00 C ATOM 1228 C GLY A 93 -9.424 12.340 -1.379 1.00 0.00 C ATOM 1229 O GLY A 93 -10.278 11.767 -2.056 1.00 0.00 O ATOM 0 H GLY A 93 -11.561 12.456 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.900 13.269 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.496 11.629 0.638 1.00 0.00 H new ATOM 1233 N LEU A 94 -8.290 12.799 -1.883 1.00 0.00 N ATOM 1234 CA LEU A 94 -7.971 12.658 -3.295 1.00 0.00 C ATOM 1235 C LEU A 94 -7.440 11.255 -3.588 1.00 0.00 C ATOM 1236 O LEU A 94 -7.959 10.265 -3.072 1.00 0.00 O ATOM 1237 CB LEU A 94 -6.941 13.714 -3.709 1.00 0.00 C ATOM 1238 CG LEU A 94 -7.217 14.395 -5.050 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -7.869 15.753 -4.834 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -5.929 14.539 -5.845 1.00 0.00 C ATOM 0 H LEU A 94 -7.573 13.274 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.882 12.808 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.895 14.478 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.958 13.244 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.906 13.772 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.058 16.223 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.812 15.624 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.205 16.386 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.142 15.025 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.218 15.142 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.503 13.553 -6.029 1.00 0.00 H new ATOM 1252 N SER A 95 -6.423 11.168 -4.428 1.00 0.00 N ATOM 1253 CA SER A 95 -5.787 9.901 -4.715 1.00 0.00 C ATOM 1254 C SER A 95 -4.653 9.648 -3.731 1.00 0.00 C ATOM 1255 O SER A 95 -3.812 10.520 -3.506 1.00 0.00 O ATOM 1256 CB SER A 95 -5.256 9.897 -6.148 1.00 0.00 C ATOM 1257 OG SER A 95 -5.637 11.083 -6.829 1.00 0.00 O ATOM 0 H SER A 95 -6.021 11.964 -4.923 1.00 0.00 H new ATOM 0 HA SER A 95 -6.523 9.104 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.169 9.811 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.640 9.027 -6.681 1.00 0.00 H new ATOM 0 HG SER A 95 -5.286 11.062 -7.744 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.660 8.474 -3.124 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.594 8.071 -2.222 1.00 0.00 C ATOM 1265 C TRP A 96 -3.004 6.757 -2.694 1.00 0.00 C ATOM 1266 O TRP A 96 -3.747 5.839 -3.035 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.103 7.883 -0.785 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.142 8.861 -0.334 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.479 8.824 -0.608 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -4.933 10.005 0.501 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.113 9.878 -0.002 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.185 10.620 0.684 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.806 10.570 1.110 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -6.342 11.771 1.449 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.965 11.712 1.870 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -5.225 12.302 2.033 1.00 0.00 C ATOM 0 H TRP A 96 -5.397 7.779 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.844 8.862 -2.226 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -4.512 6.877 -0.692 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.252 7.945 -0.106 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -6.966 8.074 -1.214 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.112 10.078 -0.053 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -2.831 10.121 0.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.312 12.229 1.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.104 12.157 2.346 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -5.316 13.195 2.633 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.686 6.660 -2.754 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.060 5.364 -2.986 1.00 0.00 C ATOM 1289 C ILE A 97 -0.168 4.976 -1.810 1.00 0.00 C ATOM 1290 O ILE A 97 0.235 5.828 -1.032 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.259 5.347 -4.311 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.726 4.196 -5.192 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.242 5.249 -4.078 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -1.951 4.525 -6.014 1.00 0.00 C ATOM 0 H ILE A 97 -1.039 7.442 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.857 4.625 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.449 6.295 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.085 3.909 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.941 3.332 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.759 5.241 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.576 6.106 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.467 4.330 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.227 3.660 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.776 4.783 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.734 5.369 -6.668 1.00 0.00 H new ATOM 1306 N TRP A 98 0.082 3.686 -1.645 1.00 0.00 N ATOM 1307 CA TRP A 98 1.091 3.236 -0.698 1.00 0.00 C ATOM 1308 C TRP A 98 2.455 3.347 -1.360 1.00 0.00 C ATOM 1309 O TRP A 98 2.570 3.210 -2.566 1.00 0.00 O ATOM 1310 CB TRP A 98 0.852 1.788 -0.257 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.450 1.556 0.446 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.400 0.635 0.108 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.942 2.232 1.611 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.451 0.693 0.990 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.194 1.662 1.922 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.449 3.258 2.429 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.954 2.082 3.007 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -1.208 3.668 3.504 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.448 3.079 3.783 1.00 0.00 C ATOM 0 H TRP A 98 -0.395 2.938 -2.149 1.00 0.00 H new ATOM 0 HA TRP A 98 1.038 3.863 0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.896 1.143 -1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.665 1.484 0.403 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -1.334 -0.041 -0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -3.287 0.109 0.956 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.506 3.718 2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.912 1.633 3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.840 4.457 4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -3.016 3.424 4.634 1.00 0.00 H new ATOM 1330 N LYS A 99 3.482 3.609 -0.594 1.00 0.00 N ATOM 1331 CA LYS A 99 4.814 3.748 -1.151 1.00 0.00 C ATOM 1332 C LYS A 99 5.829 3.058 -0.257 1.00 0.00 C ATOM 1333 O LYS A 99 5.863 3.287 0.951 1.00 0.00 O ATOM 1334 CB LYS A 99 5.167 5.225 -1.312 1.00 0.00 C ATOM 1335 CG LYS A 99 6.113 5.533 -2.462 1.00 0.00 C ATOM 1336 CD LYS A 99 6.911 6.801 -2.191 1.00 0.00 C ATOM 1337 CE LYS A 99 7.133 7.614 -3.458 1.00 0.00 C ATOM 1338 NZ LYS A 99 7.915 8.855 -3.196 1.00 0.00 N ATOM 0 H LYS A 99 3.428 3.731 0.417 1.00 0.00 H new ATOM 0 HA LYS A 99 4.835 3.276 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.246 5.790 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.617 5.580 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.795 4.695 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.544 5.648 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.385 7.411 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.875 6.537 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.658 7.004 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.169 7.878 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.542 9.630 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.835 9.110 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.914 8.692 -3.434 1.00 0.00 H new ATOM 1352 N ILE A 100 6.632 2.192 -0.846 1.00 0.00 N ATOM 1353 CA ILE A 100 7.665 1.504 -0.103 1.00 0.00 C ATOM 1354 C ILE A 100 9.001 2.206 -0.269 1.00 0.00 C ATOM 1355 O ILE A 100 9.573 2.212 -1.349 1.00 0.00 O ATOM 1356 CB ILE A 100 7.774 0.029 -0.528 1.00 0.00 C ATOM 1357 CG1 ILE A 100 6.482 -0.703 -0.172 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.958 -0.638 0.150 1.00 0.00 C ATOM 1359 CD1 ILE A 100 6.411 -2.104 -0.723 1.00 0.00 C ATOM 0 H ILE A 100 6.587 1.950 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 100 7.388 1.528 0.951 1.00 0.00 H new ATOM 0 HB ILE A 100 7.929 -0.016 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.384 -0.743 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.634 -0.130 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.017 -1.680 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.876 -0.122 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.832 -0.591 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.466 -2.563 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.477 -2.071 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.238 -2.693 -0.327 1.00 0.00 H new ATOM 1371 N LYS A 101 9.466 2.831 0.805 1.00 0.00 N ATOM 1372 CA LYS A 101 10.742 3.537 0.800 1.00 0.00 C ATOM 1373 C LYS A 101 11.852 2.618 1.295 1.00 0.00 C ATOM 1374 O LYS A 101 11.932 2.325 2.486 1.00 0.00 O ATOM 1375 CB LYS A 101 10.658 4.775 1.695 1.00 0.00 C ATOM 1376 CG LYS A 101 11.010 6.070 0.985 1.00 0.00 C ATOM 1377 CD LYS A 101 11.283 7.195 1.973 1.00 0.00 C ATOM 1378 CE LYS A 101 10.473 8.437 1.638 1.00 0.00 C ATOM 1379 NZ LYS A 101 11.265 9.429 0.866 1.00 0.00 N ATOM 0 H LYS A 101 8.974 2.863 1.698 1.00 0.00 H new ATOM 0 HA LYS A 101 10.967 3.848 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.647 4.854 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.328 4.644 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.888 5.915 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.193 6.357 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.040 6.862 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.345 7.439 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.592 8.151 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.117 8.897 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.851 10.375 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.246 9.434 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.253 9.174 -0.142 1.00 0.00 H new ATOM 1393 N ASN A 102 12.700 2.171 0.380 1.00 0.00 N ATOM 1394 CA ASN A 102 13.760 1.222 0.713 1.00 0.00 C ATOM 1395 C ASN A 102 15.094 1.929 0.943 1.00 0.00 C ATOM 1396 O ASN A 102 15.592 2.640 0.069 1.00 0.00 O ATOM 1397 CB ASN A 102 13.904 0.183 -0.403 1.00 0.00 C ATOM 1398 CG ASN A 102 14.855 -0.946 -0.047 1.00 0.00 C ATOM 1399 OD1 ASN A 102 15.219 -1.136 1.116 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.271 -1.698 -1.053 1.00 0.00 N ATOM 0 H ASN A 102 12.677 2.449 -0.601 1.00 0.00 H new ATOM 0 HA ASN A 102 13.481 0.722 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.923 -0.234 -0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 102 14.259 0.677 -1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.917 -2.468 -0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.946 -1.507 -2.001 1.00 0.00 H new ATOM 1407 N ASN A 103 15.663 1.722 2.127 1.00 0.00 N ATOM 1408 CA ASN A 103 16.961 2.299 2.480 1.00 0.00 C ATOM 1409 C ASN A 103 18.087 1.545 1.791 1.00 0.00 C ATOM 1410 O ASN A 103 19.157 2.100 1.530 1.00 0.00 O ATOM 1411 CB ASN A 103 17.190 2.246 3.996 1.00 0.00 C ATOM 1412 CG ASN A 103 16.222 3.120 4.769 1.00 0.00 C ATOM 1413 OD1 ASN A 103 15.967 4.265 4.395 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.687 2.591 5.860 1.00 0.00 N ATOM 0 H ASN A 103 15.244 1.155 2.864 1.00 0.00 H new ATOM 0 HA ASN A 103 16.957 3.338 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.093 1.215 4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.210 2.560 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.037 3.137 6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.925 1.638 6.134 1.00 0.00 H new ATOM 1421 N SER A 104 17.842 0.279 1.502 1.00 0.00 N ATOM 1422 CA SER A 104 18.857 -0.574 0.913 1.00 0.00 C ATOM 1423 C SER A 104 18.951 -0.352 -0.593 1.00 0.00 C ATOM 1424 O SER A 104 17.956 -0.051 -1.250 1.00 0.00 O ATOM 1425 CB SER A 104 18.544 -2.038 1.222 1.00 0.00 C ATOM 1426 OG SER A 104 18.551 -2.272 2.623 1.00 0.00 O ATOM 0 H SER A 104 16.947 -0.181 1.666 1.00 0.00 H new ATOM 0 HA SER A 104 19.823 -0.317 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.570 -2.301 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.279 -2.681 0.738 1.00 0.00 H new ATOM 0 HG SER A 104 18.146 -3.144 2.811 1.00 0.00 H new ATOM 1432 N SER A 105 20.160 -0.488 -1.127 1.00 0.00 N ATOM 1433 CA SER A 105 20.399 -0.353 -2.560 1.00 0.00 C ATOM 1434 C SER A 105 20.255 -1.706 -3.252 1.00 0.00 C ATOM 1435 O SER A 105 20.483 -1.839 -4.453 1.00 0.00 O ATOM 1436 CB SER A 105 21.802 0.198 -2.785 1.00 0.00 C ATOM 1437 OG SER A 105 22.614 -0.037 -1.645 1.00 0.00 O ATOM 0 H SER A 105 20.998 -0.694 -0.583 1.00 0.00 H new ATOM 0 HA SER A 105 19.664 0.332 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.248 -0.273 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.751 1.268 -2.989 1.00 0.00 H new ATOM 0 HG SER A 105 22.936 -0.962 -1.658 1.00 0.00 H new ATOM 1443 N GLU A 106 19.874 -2.700 -2.472 1.00 0.00 N ATOM 1444 CA GLU A 106 19.773 -4.065 -2.949 1.00 0.00 C ATOM 1445 C GLU A 106 18.311 -4.424 -3.177 1.00 0.00 C ATOM 1446 O GLU A 106 17.427 -3.883 -2.510 1.00 0.00 O ATOM 1447 CB GLU A 106 20.406 -5.022 -1.930 1.00 0.00 C ATOM 1448 CG GLU A 106 21.894 -4.775 -1.684 1.00 0.00 C ATOM 1449 CD GLU A 106 22.166 -3.505 -0.892 1.00 0.00 C ATOM 1450 OE1 GLU A 106 21.534 -3.308 0.166 1.00 0.00 O ATOM 1451 OE2 GLU A 106 23.000 -2.684 -1.341 1.00 0.00 O ATOM 0 H GLU A 106 19.626 -2.583 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 106 20.309 -4.157 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.872 -4.933 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.271 -6.046 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.314 -5.627 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.410 -4.716 -2.643 1.00 0.00 H new ATOM 1458 N THR A 107 18.061 -5.323 -4.120 1.00 0.00 N ATOM 1459 CA THR A 107 16.708 -5.759 -4.421 1.00 0.00 C ATOM 1460 C THR A 107 16.087 -6.476 -3.227 1.00 0.00 C ATOM 1461 O THR A 107 16.455 -7.608 -2.901 1.00 0.00 O ATOM 1462 CB THR A 107 16.691 -6.689 -5.644 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.951 -6.610 -6.329 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.559 -6.313 -6.589 1.00 0.00 C ATOM 0 H THR A 107 18.782 -5.765 -4.690 1.00 0.00 H new ATOM 0 HA THR A 107 16.119 -4.869 -4.644 1.00 0.00 H new ATOM 0 HB THR A 107 16.528 -7.712 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.938 -7.205 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.565 -6.984 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.606 -6.399 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.695 -5.286 -6.929 1.00 0.00 H new ATOM 1472 N SER A 108 15.152 -5.809 -2.574 1.00 0.00 N ATOM 1473 CA SER A 108 14.514 -6.357 -1.387 1.00 0.00 C ATOM 1474 C SER A 108 13.069 -6.736 -1.686 1.00 0.00 C ATOM 1475 O SER A 108 12.355 -5.992 -2.352 1.00 0.00 O ATOM 1476 CB SER A 108 14.573 -5.338 -0.248 1.00 0.00 C ATOM 1477 OG SER A 108 15.730 -4.521 -0.358 1.00 0.00 O ATOM 0 H SER A 108 14.816 -4.885 -2.845 1.00 0.00 H new ATOM 0 HA SER A 108 15.048 -7.257 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.679 -4.714 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.580 -5.858 0.710 1.00 0.00 H new ATOM 0 HG SER A 108 15.832 -3.987 0.458 1.00 0.00 H new ATOM 1483 N ASN A 109 12.648 -7.899 -1.221 1.00 0.00 N ATOM 1484 CA ASN A 109 11.274 -8.339 -1.421 1.00 0.00 C ATOM 1485 C ASN A 109 10.425 -7.999 -0.206 1.00 0.00 C ATOM 1486 O ASN A 109 10.799 -8.292 0.934 1.00 0.00 O ATOM 1487 CB ASN A 109 11.201 -9.844 -1.734 1.00 0.00 C ATOM 1488 CG ASN A 109 12.042 -10.700 -0.803 1.00 0.00 C ATOM 1489 OD1 ASN A 109 13.237 -10.456 -0.615 1.00 0.00 O ATOM 1490 ND2 ASN A 109 11.432 -11.725 -0.231 1.00 0.00 N ATOM 0 H ASN A 109 13.233 -8.555 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 109 10.876 -7.806 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 109 10.162 -10.169 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.528 -10.009 -2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 109 11.951 -12.346 0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 109 10.442 -11.895 -0.411 1.00 0.00 H new ATOM 1497 N TYR A 110 9.295 -7.355 -0.463 1.00 0.00 N ATOM 1498 CA TYR A 110 8.395 -6.900 0.589 1.00 0.00 C ATOM 1499 C TYR A 110 7.167 -7.790 0.665 1.00 0.00 C ATOM 1500 O TYR A 110 6.832 -8.485 -0.291 1.00 0.00 O ATOM 1501 CB TYR A 110 7.948 -5.458 0.321 1.00 0.00 C ATOM 1502 CG TYR A 110 7.574 -5.175 -1.123 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.323 -5.523 -1.620 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.468 -4.554 -1.989 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.975 -5.264 -2.933 1.00 0.00 C ATOM 1506 CE2 TYR A 110 8.128 -4.294 -3.300 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.883 -4.649 -3.767 1.00 0.00 C ATOM 1508 OH TYR A 110 6.551 -4.394 -5.076 1.00 0.00 O ATOM 0 H TYR A 110 8.976 -7.133 -1.406 1.00 0.00 H new ATOM 0 HA TYR A 110 8.934 -6.947 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.092 -5.232 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.750 -4.781 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.609 -6.005 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.446 -4.270 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.999 -5.542 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.837 -3.813 -3.958 1.00 0.00 H new ATOM 0 HH TYR A 110 6.992 -3.570 -5.371 1.00 0.00 H new ATOM 1518 N SER A 111 6.503 -7.766 1.805 1.00 0.00 N ATOM 1519 CA SER A 111 5.233 -8.444 1.959 1.00 0.00 C ATOM 1520 C SER A 111 4.174 -7.448 2.422 1.00 0.00 C ATOM 1521 O SER A 111 3.883 -7.347 3.612 1.00 0.00 O ATOM 1522 CB SER A 111 5.362 -9.591 2.963 1.00 0.00 C ATOM 1523 OG SER A 111 6.714 -9.784 3.359 1.00 0.00 O ATOM 0 H SER A 111 6.826 -7.281 2.642 1.00 0.00 H new ATOM 0 HA SER A 111 4.932 -8.862 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.751 -9.379 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.976 -10.509 2.520 1.00 0.00 H new ATOM 0 HG SER A 111 6.764 -10.522 4.002 1.00 0.00 H new ATOM 1529 N LEU A 112 3.614 -6.696 1.485 1.00 0.00 N ATOM 1530 CA LEU A 112 2.642 -5.666 1.833 1.00 0.00 C ATOM 1531 C LEU A 112 1.265 -6.273 2.048 1.00 0.00 C ATOM 1532 O LEU A 112 0.546 -6.553 1.091 1.00 0.00 O ATOM 1533 CB LEU A 112 2.567 -4.582 0.755 1.00 0.00 C ATOM 1534 CG LEU A 112 1.657 -3.401 1.105 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.316 -2.502 2.134 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.306 -2.604 -0.138 1.00 0.00 C ATOM 0 H LEU A 112 3.812 -6.777 0.488 1.00 0.00 H new ATOM 0 HA LEU A 112 2.976 -5.205 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.572 -4.206 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.215 -5.033 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 112 0.737 -3.801 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.652 -1.670 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.516 -3.073 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.254 -2.117 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.659 -1.770 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.219 -2.221 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.788 -3.248 -0.849 1.00 0.00 H new ATOM 1548 N ASP A 113 0.902 -6.464 3.305 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.397 -7.025 3.647 1.00 0.00 C ATOM 1550 C ASP A 113 -1.444 -5.923 3.648 1.00 0.00 C ATOM 1551 O ASP A 113 -1.700 -5.287 4.672 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.346 -7.707 5.017 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.615 -9.196 4.945 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -1.307 -9.641 4.007 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -0.130 -9.935 5.830 1.00 0.00 O ATOM 0 H ASP A 113 1.489 -6.239 4.108 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.664 -7.775 2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.635 -7.541 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.079 -7.242 5.676 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.032 -5.687 2.489 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.024 -4.636 2.328 1.00 0.00 C ATOM 1562 C ALA A 114 -4.312 -5.225 1.783 1.00 0.00 C ATOM 1563 O ALA A 114 -4.381 -6.418 1.501 1.00 0.00 O ATOM 1564 CB ALA A 114 -2.506 -3.530 1.409 1.00 0.00 C ATOM 0 H ALA A 114 -1.838 -6.214 1.637 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.222 -4.191 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.267 -2.757 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.603 -3.095 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.278 -3.948 0.429 1.00 0.00 H new ATOM 1570 N THR A 115 -5.326 -4.400 1.631 1.00 0.00 N ATOM 1571 CA THR A 115 -6.582 -4.855 1.072 1.00 0.00 C ATOM 1572 C THR A 115 -6.522 -4.763 -0.447 1.00 0.00 C ATOM 1573 O THR A 115 -5.883 -3.867 -0.998 1.00 0.00 O ATOM 1574 CB THR A 115 -7.759 -4.006 1.590 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.277 -3.031 2.523 1.00 0.00 O ATOM 1576 CG2 THR A 115 -8.810 -4.878 2.261 1.00 0.00 C ATOM 0 H THR A 115 -5.306 -3.413 1.886 1.00 0.00 H new ATOM 0 HA THR A 115 -6.742 -5.889 1.379 1.00 0.00 H new ATOM 0 HB THR A 115 -8.220 -3.506 0.738 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.899 -2.270 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.629 -4.252 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 115 -9.193 -5.603 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.362 -5.404 3.104 1.00 0.00 H new ATOM 1584 N VAL A 116 -7.149 -5.711 -1.122 1.00 0.00 N ATOM 1585 CA VAL A 116 -7.139 -5.726 -2.577 1.00 0.00 C ATOM 1586 C VAL A 116 -8.062 -4.644 -3.118 1.00 0.00 C ATOM 1587 O VAL A 116 -8.868 -4.079 -2.376 1.00 0.00 O ATOM 1588 CB VAL A 116 -7.576 -7.091 -3.154 1.00 0.00 C ATOM 1589 CG1 VAL A 116 -6.678 -7.491 -4.315 1.00 0.00 C ATOM 1590 CG2 VAL A 116 -7.575 -8.169 -2.080 1.00 0.00 C ATOM 0 H VAL A 116 -7.668 -6.476 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.111 -5.540 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 116 -8.596 -6.988 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.000 -8.455 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.742 -6.738 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -5.647 -7.567 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.887 -9.118 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -6.571 -8.272 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -8.267 -7.891 -1.285 1.00 0.00 H new ATOM 1600 N HIS A 117 -7.955 -4.358 -4.411 1.00 0.00 N ATOM 1601 CA HIS A 117 -8.839 -3.388 -5.043 1.00 0.00 C ATOM 1602 C HIS A 117 -10.241 -3.973 -5.192 1.00 0.00 C ATOM 1603 O HIS A 117 -11.163 -3.300 -5.655 1.00 0.00 O ATOM 1604 CB HIS A 117 -8.286 -2.941 -6.398 1.00 0.00 C ATOM 1605 CG HIS A 117 -8.173 -1.451 -6.529 1.00 0.00 C ATOM 1606 ND1 HIS A 117 -7.358 -0.829 -7.452 1.00 0.00 N ATOM 1607 CD2 HIS A 117 -8.775 -0.454 -5.836 1.00 0.00 C ATOM 1608 CE1 HIS A 117 -7.464 0.479 -7.319 1.00 0.00 C ATOM 1609 NE2 HIS A 117 -8.319 0.732 -6.349 1.00 0.00 N ATOM 0 H HIS A 117 -7.270 -4.781 -5.037 1.00 0.00 H new ATOM 0 HA HIS A 117 -8.897 -2.507 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.303 -3.388 -6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -8.932 -3.321 -7.190 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -6.766 -1.306 -8.132 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.483 -0.572 -5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -6.939 1.218 -7.906 1.00 0.00 H new ATOM 1618 N ASP A 118 -10.368 -5.245 -4.802 1.00 0.00 N ATOM 1619 CA ASP A 118 -11.658 -5.914 -4.658 1.00 0.00 C ATOM 1620 C ASP A 118 -12.349 -6.120 -6.000 1.00 0.00 C ATOM 1621 O ASP A 118 -11.923 -6.950 -6.808 1.00 0.00 O ATOM 1622 CB ASP A 118 -12.554 -5.120 -3.703 1.00 0.00 C ATOM 1623 CG ASP A 118 -13.554 -5.989 -2.973 1.00 0.00 C ATOM 1624 OD1 ASP A 118 -13.132 -6.942 -2.292 1.00 0.00 O ATOM 1625 OD2 ASP A 118 -14.763 -5.687 -3.044 1.00 0.00 O ATOM 0 H ASP A 118 -9.571 -5.841 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 118 -11.475 -6.904 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -11.930 -4.602 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -13.088 -4.355 -4.266 1.00 0.00 H new ATOM 1630 N ASP A 119 -13.414 -5.367 -6.232 1.00 0.00 N ATOM 1631 CA ASP A 119 -14.196 -5.491 -7.452 1.00 0.00 C ATOM 1632 C ASP A 119 -13.517 -4.747 -8.590 1.00 0.00 C ATOM 1633 O ASP A 119 -13.855 -3.599 -8.882 1.00 0.00 O ATOM 1634 CB ASP A 119 -15.609 -4.940 -7.239 1.00 0.00 C ATOM 1635 CG ASP A 119 -16.658 -6.032 -7.143 1.00 0.00 C ATOM 1636 OD1 ASP A 119 -16.487 -7.087 -7.794 1.00 0.00 O ATOM 1637 OD2 ASP A 119 -17.652 -5.847 -6.406 1.00 0.00 O ATOM 0 H ASP A 119 -13.758 -4.658 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.266 -6.547 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.628 -4.343 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -15.861 -4.272 -8.062 1.00 0.00 H new ATOM 1642 N LYS A 120 -12.545 -5.394 -9.218 1.00 0.00 N ATOM 1643 CA LYS A 120 -11.801 -4.781 -10.310 1.00 0.00 C ATOM 1644 C LYS A 120 -11.546 -5.781 -11.427 1.00 0.00 C ATOM 1645 O LYS A 120 -10.983 -6.851 -11.193 1.00 0.00 O ATOM 1646 CB LYS A 120 -10.463 -4.240 -9.800 1.00 0.00 C ATOM 1647 CG LYS A 120 -10.521 -2.791 -9.354 1.00 0.00 C ATOM 1648 CD LYS A 120 -9.634 -1.906 -10.215 1.00 0.00 C ATOM 1649 CE LYS A 120 -10.233 -0.520 -10.385 1.00 0.00 C ATOM 1650 NZ LYS A 120 -11.155 -0.453 -11.547 1.00 0.00 N ATOM 0 H LYS A 120 -12.253 -6.344 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 120 -12.402 -3.961 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.127 -4.855 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.717 -4.339 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -11.550 -2.435 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -10.209 -2.717 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -8.647 -1.824 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -9.497 -2.367 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -10.771 -0.244 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -9.432 0.208 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -11.463 0.530 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -10.664 -0.789 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -11.985 -1.053 -11.366 1.00 0.00 H new ATOM 1664 N GLU A 121 -11.983 -5.447 -12.632 1.00 0.00 N ATOM 1665 CA GLU A 121 -11.631 -6.229 -13.808 1.00 0.00 C ATOM 1666 C GLU A 121 -10.226 -5.852 -14.255 1.00 0.00 C ATOM 1667 O GLU A 121 -9.412 -6.704 -14.608 1.00 0.00 O ATOM 1668 CB GLU A 121 -12.622 -5.980 -14.947 1.00 0.00 C ATOM 1669 CG GLU A 121 -14.078 -6.045 -14.519 1.00 0.00 C ATOM 1670 CD GLU A 121 -14.690 -4.672 -14.348 1.00 0.00 C ATOM 1671 OE1 GLU A 121 -14.512 -4.069 -13.270 1.00 0.00 O ATOM 1672 OE2 GLU A 121 -15.351 -4.189 -15.290 1.00 0.00 O ATOM 0 H GLU A 121 -12.580 -4.642 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.669 -7.288 -13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.424 -5.000 -15.380 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.451 -6.716 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -14.648 -6.604 -15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -14.154 -6.593 -13.580 1.00 0.00 H new ATOM 1679 N ASP A 122 -9.941 -4.560 -14.203 1.00 0.00 N ATOM 1680 CA ASP A 122 -8.641 -4.034 -14.590 1.00 0.00 C ATOM 1681 C ASP A 122 -7.730 -3.935 -13.371 1.00 0.00 C ATOM 1682 O ASP A 122 -7.273 -2.849 -13.006 1.00 0.00 O ATOM 1683 CB ASP A 122 -8.783 -2.654 -15.259 1.00 0.00 C ATOM 1684 CG ASP A 122 -9.859 -1.779 -14.632 1.00 0.00 C ATOM 1685 OD1 ASP A 122 -10.193 -1.978 -13.447 1.00 0.00 O ATOM 1686 OD2 ASP A 122 -10.383 -0.884 -15.330 1.00 0.00 O ATOM 0 H ASP A 122 -10.602 -3.848 -13.892 1.00 0.00 H new ATOM 0 HA ASP A 122 -8.197 -4.720 -15.312 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.827 -2.134 -15.205 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -9.011 -2.794 -16.316 1.00 0.00 H new ATOM 1691 N SER A 123 -7.478 -5.080 -12.743 1.00 0.00 N ATOM 1692 CA SER A 123 -6.630 -5.159 -11.561 1.00 0.00 C ATOM 1693 C SER A 123 -5.250 -4.557 -11.827 1.00 0.00 C ATOM 1694 O SER A 123 -4.500 -5.036 -12.682 1.00 0.00 O ATOM 1695 CB SER A 123 -6.501 -6.618 -11.134 1.00 0.00 C ATOM 1696 OG SER A 123 -7.410 -7.431 -11.860 1.00 0.00 O ATOM 0 H SER A 123 -7.857 -5.979 -13.041 1.00 0.00 H new ATOM 0 HA SER A 123 -7.090 -4.581 -10.759 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.481 -6.963 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.696 -6.709 -10.065 1.00 0.00 H new ATOM 0 HG SER A 123 -7.313 -8.364 -11.576 1.00 0.00 H new ATOM 1702 N ASP A 124 -4.932 -3.499 -11.088 1.00 0.00 N ATOM 1703 CA ASP A 124 -3.684 -2.763 -11.264 1.00 0.00 C ATOM 1704 C ASP A 124 -2.498 -3.602 -10.817 1.00 0.00 C ATOM 1705 O ASP A 124 -1.406 -3.509 -11.378 1.00 0.00 O ATOM 1706 CB ASP A 124 -3.715 -1.449 -10.469 1.00 0.00 C ATOM 1707 CG ASP A 124 -5.092 -1.117 -9.919 1.00 0.00 C ATOM 1708 OD1 ASP A 124 -5.611 -1.890 -9.082 1.00 0.00 O ATOM 1709 OD2 ASP A 124 -5.665 -0.086 -10.325 1.00 0.00 O ATOM 0 H ASP A 124 -5.531 -3.128 -10.351 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.576 -2.535 -12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.007 -1.514 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.381 -0.635 -11.112 1.00 0.00 H new ATOM 1714 N VAL A 125 -2.718 -4.424 -9.804 1.00 0.00 N ATOM 1715 CA VAL A 125 -1.670 -5.291 -9.295 1.00 0.00 C ATOM 1716 C VAL A 125 -1.493 -6.507 -10.211 1.00 0.00 C ATOM 1717 O VAL A 125 -2.148 -7.540 -10.050 1.00 0.00 O ATOM 1718 CB VAL A 125 -1.953 -5.728 -7.832 1.00 0.00 C ATOM 1719 CG1 VAL A 125 -3.377 -6.255 -7.673 1.00 0.00 C ATOM 1720 CG2 VAL A 125 -0.930 -6.757 -7.357 1.00 0.00 C ATOM 0 H VAL A 125 -3.611 -4.509 -9.319 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.738 -4.726 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 125 -1.857 -4.844 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.541 -6.552 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.087 -5.473 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -3.521 -7.117 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.153 -7.044 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -0.975 -7.637 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 125 0.070 -6.325 -7.404 1.00 0.00 H new ATOM 1730 N LEU A 126 -0.636 -6.355 -11.210 1.00 0.00 N ATOM 1731 CA LEU A 126 -0.314 -7.451 -12.112 1.00 0.00 C ATOM 1732 C LEU A 126 0.945 -8.159 -11.635 1.00 0.00 C ATOM 1733 O LEU A 126 0.942 -9.366 -11.392 1.00 0.00 O ATOM 1734 CB LEU A 126 -0.121 -6.944 -13.546 1.00 0.00 C ATOM 1735 CG LEU A 126 -0.832 -5.630 -13.884 1.00 0.00 C ATOM 1736 CD1 LEU A 126 0.174 -4.579 -14.333 1.00 0.00 C ATOM 1737 CD2 LEU A 126 -1.880 -5.858 -14.962 1.00 0.00 C ATOM 0 H LEU A 126 -0.150 -5.482 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.147 -8.154 -12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.946 -6.816 -13.727 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.471 -7.713 -14.235 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.332 -5.266 -12.986 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.349 -3.652 -14.569 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.892 -4.397 -13.533 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.700 -4.934 -15.219 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.377 -4.915 -15.192 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.399 -6.243 -15.861 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.616 -6.579 -14.607 1.00 0.00 H new ATOM 1749 N THR A 127 2.014 -7.394 -11.485 1.00 0.00 N ATOM 1750 CA THR A 127 3.286 -7.937 -11.046 1.00 0.00 C ATOM 1751 C THR A 127 3.455 -7.774 -9.538 1.00 0.00 C ATOM 1752 O THR A 127 3.300 -8.728 -8.773 1.00 0.00 O ATOM 1753 CB THR A 127 4.442 -7.226 -11.767 1.00 0.00 C ATOM 1754 OG1 THR A 127 4.079 -5.857 -12.017 1.00 0.00 O ATOM 1755 CG2 THR A 127 4.765 -7.921 -13.079 1.00 0.00 C ATOM 0 H THR A 127 2.024 -6.390 -11.662 1.00 0.00 H new ATOM 0 HA THR A 127 3.301 -8.999 -11.290 1.00 0.00 H new ATOM 0 HB THR A 127 5.327 -7.262 -11.132 1.00 0.00 H new ATOM 0 HG1 THR A 127 4.816 -5.402 -12.475 1.00 0.00 H new ATOM 0 HG21 THR A 127 5.586 -7.402 -13.573 1.00 0.00 H new ATOM 0 HG22 THR A 127 5.055 -8.953 -12.882 1.00 0.00 H new ATOM 0 HG23 THR A 127 3.886 -7.907 -13.724 1.00 0.00 H new ATOM 1763 N LYS A 128 3.756 -6.552 -9.128 1.00 0.00 N ATOM 1764 CA LYS A 128 3.960 -6.218 -7.728 1.00 0.00 C ATOM 1765 C LYS A 128 3.486 -4.788 -7.479 1.00 0.00 C ATOM 1766 O LYS A 128 2.487 -4.364 -8.059 1.00 0.00 O ATOM 1767 CB LYS A 128 5.442 -6.375 -7.347 1.00 0.00 C ATOM 1768 CG LYS A 128 6.411 -6.060 -8.481 1.00 0.00 C ATOM 1769 CD LYS A 128 7.366 -4.936 -8.107 1.00 0.00 C ATOM 1770 CE LYS A 128 7.989 -4.293 -9.336 1.00 0.00 C ATOM 1771 NZ LYS A 128 7.338 -2.998 -9.674 1.00 0.00 N ATOM 0 H LYS A 128 3.866 -5.760 -9.761 1.00 0.00 H new ATOM 0 HA LYS A 128 3.382 -6.900 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 128 5.661 -5.720 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 128 5.613 -7.397 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 128 6.981 -6.954 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.850 -5.780 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.831 -4.180 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.153 -5.327 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.052 -4.130 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.906 -4.973 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.060 -2.318 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 6.647 -3.146 -10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 6.851 -2.624 -8.834 1.00 0.00 H new ATOM 1785 N CYS A 129 4.194 -4.047 -6.636 1.00 0.00 N ATOM 1786 CA CYS A 129 3.874 -2.647 -6.398 1.00 0.00 C ATOM 1787 C CYS A 129 4.553 -1.765 -7.448 1.00 0.00 C ATOM 1788 O CYS A 129 5.781 -1.741 -7.540 1.00 0.00 O ATOM 1789 CB CYS A 129 4.319 -2.229 -4.987 1.00 0.00 C ATOM 1790 SG CYS A 129 2.990 -2.285 -3.733 1.00 0.00 S ATOM 0 H CYS A 129 4.994 -4.393 -6.106 1.00 0.00 H new ATOM 0 HA CYS A 129 2.794 -2.518 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 129 5.132 -2.880 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 129 4.720 -1.216 -5.030 1.00 0.00 H new ATOM 1795 N PRO A 130 3.765 -1.115 -8.324 1.00 0.00 N ATOM 1796 CA PRO A 130 4.243 -0.100 -9.253 1.00 0.00 C ATOM 1797 C PRO A 130 3.810 1.324 -8.870 1.00 0.00 C ATOM 1798 O PRO A 130 2.881 1.509 -8.088 1.00 0.00 O ATOM 1799 CB PRO A 130 3.529 -0.527 -10.530 1.00 0.00 C ATOM 1800 CG PRO A 130 2.225 -1.123 -10.068 1.00 0.00 C ATOM 1801 CD PRO A 130 2.350 -1.382 -8.578 1.00 0.00 C ATOM 0 HA PRO A 130 5.331 -0.049 -9.303 1.00 0.00 H new ATOM 0 HB2 PRO A 130 3.362 0.323 -11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 130 4.119 -1.254 -11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 130 1.398 -0.443 -10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.015 -2.049 -10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 130 1.703 -0.725 -7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 130 2.078 -2.406 -8.321 1.00 0.00 H new ATOM 1809 N VAL A 131 4.490 2.321 -9.427 1.00 0.00 N ATOM 1810 CA VAL A 131 4.062 3.714 -9.306 1.00 0.00 C ATOM 1811 C VAL A 131 4.217 4.405 -10.650 1.00 0.00 C ATOM 1812 O VAL A 131 3.874 5.601 -10.761 1.00 0.00 O ATOM 1813 CB VAL A 131 4.848 4.525 -8.248 1.00 0.00 C ATOM 1814 CG1 VAL A 131 4.280 4.315 -6.856 1.00 0.00 C ATOM 1815 CG2 VAL A 131 6.330 4.200 -8.277 1.00 0.00 C ATOM 1816 OXT VAL A 131 4.692 3.742 -11.599 1.00 0.00 O ATOM 0 H VAL A 131 5.344 2.191 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 131 3.023 3.684 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 131 4.734 5.578 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 131 4.855 4.898 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 131 3.239 4.637 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 131 4.338 3.258 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 131 6.847 4.790 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 131 6.474 3.139 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 131 6.735 4.437 -9.261 1.00 0.00 H new TER 1826 VAL A 131