USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -167:sc= 2.18 (180deg=1.08) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.45 K(o=4.6,f=-4.2) USER MOD Set 2.1: A 71 ASN : amide:sc= -0.0879 X(o=1.2,f=1.1) USER MOD Set 2.2: A 84 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.15) USER MOD Set 3.1: A 55 SER OG : rot 151:sc= 0.865 USER MOD Set 3.2: A 57 THR OG1 : rot -64:sc= 1.53 USER MOD Single : A 56 ASN : amide:sc= 0.935 K(o=0.93,f=-0.012) USER MOD Single : A 64 ASN : amide:sc=-0.00581 K(o=-0.0058,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.554 K(o=0.55,f=-4.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -8.15! K(o=-8.1!,f=-5.6) USER MOD Single : A 81 CYS SG : rot -37:sc= -1.14 USER MOD Single : A 83 MET CE :methyl -153:sc= -0.166 (180deg=-0.714) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -39:sc= 0.17 USER MOD Single : A 103 HIS : no HD1:sc= 0.37 K(o=0.72,f=-7.9!) USER MOD Single : A 105 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-6.4!) USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0485) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.0709 X(o=0.071,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 120 SER OG : rot 161:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.229 8.194 1.820 1.00 0.00 N ATOM 2 CA SER A 55 -13.016 7.503 0.546 1.00 0.00 C ATOM 3 C SER A 55 -13.183 6.024 0.724 1.00 0.00 C ATOM 4 O SER A 55 -13.641 5.553 1.765 1.00 0.00 O ATOM 5 CB SER A 55 -11.594 7.780 0.023 1.00 0.00 C ATOM 6 OG SER A 55 -11.508 7.477 -1.366 1.00 0.00 O ATOM 0 HA SER A 55 -13.751 7.872 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.335 8.826 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.872 7.180 0.578 1.00 0.00 H new ATOM 0 HG SER A 55 -10.830 8.048 -1.784 1.00 0.00 H new ATOM 14 N ASN A 56 -12.843 5.263 -0.329 1.00 0.00 N ATOM 15 CA ASN A 56 -12.835 3.833 -0.243 1.00 0.00 C ATOM 16 C ASN A 56 -11.702 3.372 -1.107 1.00 0.00 C ATOM 17 O ASN A 56 -11.691 2.248 -1.609 1.00 0.00 O ATOM 18 CB ASN A 56 -14.151 3.207 -0.753 1.00 0.00 C ATOM 19 CG ASN A 56 -14.837 2.499 0.410 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.093 1.296 0.358 1.00 0.00 O ATOM 21 ND2 ASN A 56 -15.164 3.262 1.485 1.00 0.00 N ATOM 0 H ASN A 56 -12.574 5.634 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.726 3.527 0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.803 3.979 -1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.947 2.501 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.638 2.841 2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.936 4.256 1.493 1.00 0.00 H new ATOM 28 N THR A 57 -10.688 4.246 -1.270 1.00 0.00 N ATOM 29 CA THR A 57 -9.658 3.995 -2.234 1.00 0.00 C ATOM 30 C THR A 57 -8.350 4.357 -1.602 1.00 0.00 C ATOM 31 O THR A 57 -8.270 5.285 -0.794 1.00 0.00 O ATOM 32 CB THR A 57 -9.820 4.835 -3.513 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.758 6.226 -3.208 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.160 4.616 -4.223 1.00 0.00 C ATOM 0 H THR A 57 -10.582 5.113 -0.743 1.00 0.00 H new ATOM 0 HA THR A 57 -9.712 2.945 -2.522 1.00 0.00 H new ATOM 0 HB THR A 57 -9.007 4.514 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.518 6.470 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.205 5.240 -5.116 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.254 3.568 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.976 4.884 -3.552 1.00 0.00 H new ATOM 42 N ILE A 58 -7.282 3.636 -1.994 1.00 0.00 N ATOM 43 CA ILE A 58 -5.953 4.012 -1.607 1.00 0.00 C ATOM 44 C ILE A 58 -5.103 3.869 -2.828 1.00 0.00 C ATOM 45 O ILE A 58 -5.449 3.134 -3.755 1.00 0.00 O ATOM 46 CB ILE A 58 -5.340 3.170 -0.474 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.380 2.452 0.397 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.374 3.973 0.420 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.837 1.104 -0.174 1.00 0.00 C ATOM 0 H ILE A 58 -7.336 2.799 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.998 5.028 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.767 2.405 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.961 2.292 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.249 3.099 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.975 3.324 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.554 4.359 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.909 4.804 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.571 0.656 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.286 1.258 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.979 0.439 -0.268 1.00 0.00 H new ATOM 61 N ARG A 59 -3.964 4.589 -2.877 1.00 0.00 N ATOM 62 CA ARG A 59 -3.174 4.583 -4.068 1.00 0.00 C ATOM 63 C ARG A 59 -1.931 3.837 -3.770 1.00 0.00 C ATOM 64 O ARG A 59 -1.366 3.985 -2.699 1.00 0.00 O ATOM 65 CB ARG A 59 -2.821 5.999 -4.503 1.00 0.00 C ATOM 66 CG ARG A 59 -4.044 6.775 -4.983 1.00 0.00 C ATOM 67 CD ARG A 59 -4.190 8.163 -4.347 1.00 0.00 C ATOM 68 NE ARG A 59 -5.621 8.577 -4.486 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.610 7.877 -3.862 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.333 7.077 -2.815 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.905 8.193 -4.080 1.00 0.00 N ATOM 0 H ARG A 59 -3.600 5.159 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.735 4.118 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.360 6.529 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.082 5.958 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.989 6.887 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.939 6.192 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.900 8.135 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.534 8.881 -4.840 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.859 9.391 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.374 6.989 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.083 6.559 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.144 8.957 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.644 7.668 -3.612 1.00 0.00 H new ATOM 85 N VAL A 60 -1.472 3.036 -4.744 1.00 0.00 N ATOM 86 CA VAL A 60 -0.323 2.206 -4.521 1.00 0.00 C ATOM 87 C VAL A 60 0.730 2.634 -5.486 1.00 0.00 C ATOM 88 O VAL A 60 0.602 2.421 -6.687 1.00 0.00 O ATOM 89 CB VAL A 60 -0.576 0.707 -4.720 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.569 -0.173 -4.203 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.907 0.232 -4.118 1.00 0.00 C ATOM 0 H VAL A 60 -1.885 2.959 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.033 2.332 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.633 0.588 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.327 -1.222 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.488 0.078 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.706 -0.002 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.025 -0.837 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.911 0.426 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.731 0.769 -4.587 1.00 0.00 H new ATOM 101 N PHE A 61 1.835 3.179 -4.946 1.00 0.00 N ATOM 102 CA PHE A 61 2.933 3.599 -5.766 1.00 0.00 C ATOM 103 C PHE A 61 3.951 2.505 -5.712 1.00 0.00 C ATOM 104 O PHE A 61 4.160 1.883 -4.669 1.00 0.00 O ATOM 105 CB PHE A 61 3.594 4.888 -5.259 1.00 0.00 C ATOM 106 CG PHE A 61 2.765 6.044 -5.714 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.473 6.243 -5.211 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.283 7.004 -6.570 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.750 7.374 -5.534 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.572 8.157 -6.859 1.00 0.00 C ATOM 111 CZ PHE A 61 1.312 8.347 -6.333 1.00 0.00 C ATOM 0 H PHE A 61 1.970 3.329 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 61 2.563 3.797 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.667 4.876 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.610 4.972 -5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.036 5.500 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.254 6.851 -7.017 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.256 7.497 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.007 8.910 -7.499 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.767 9.255 -6.546 1.00 0.00 H new ATOM 121 N LEU A 62 4.638 2.242 -6.842 1.00 0.00 N ATOM 122 CA LEU A 62 5.471 1.076 -6.904 1.00 0.00 C ATOM 123 C LEU A 62 6.872 1.490 -6.562 1.00 0.00 C ATOM 124 O LEU A 62 7.227 2.670 -6.595 1.00 0.00 O ATOM 125 CB LEU A 62 5.467 0.403 -8.285 1.00 0.00 C ATOM 126 CG LEU A 62 4.252 -0.499 -8.524 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.419 -1.904 -7.937 1.00 0.00 C ATOM 128 CD2 LEU A 62 2.940 0.105 -8.012 1.00 0.00 C ATOM 0 H LEU A 62 4.620 2.814 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 62 5.077 0.345 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.494 1.174 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.376 -0.189 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 62 4.195 -0.581 -9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.524 -2.492 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.283 -2.388 -8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.569 -1.833 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.120 -0.584 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.014 0.279 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.752 1.051 -8.520 1.00 0.00 H new ATOM 140 N PRO A 63 7.677 0.451 -6.371 1.00 0.00 N ATOM 141 CA PRO A 63 9.050 0.856 -6.153 1.00 0.00 C ATOM 142 C PRO A 63 9.617 1.066 -7.538 1.00 0.00 C ATOM 143 O PRO A 63 10.717 1.589 -7.697 1.00 0.00 O ATOM 144 CB PRO A 63 9.712 -0.343 -5.514 1.00 0.00 C ATOM 145 CG PRO A 63 8.589 -1.175 -4.900 1.00 0.00 C ATOM 146 CD PRO A 63 7.288 -0.645 -5.502 1.00 0.00 C ATOM 0 HA PRO A 63 9.179 1.747 -5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.265 -0.922 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.427 -0.032 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.720 -2.233 -5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.583 -1.080 -3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.769 -1.424 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.606 -0.304 -4.723 1.00 0.00 H new ATOM 154 N ASN A 64 8.834 0.728 -8.587 1.00 0.00 N ATOM 155 CA ASN A 64 9.229 1.024 -9.933 1.00 0.00 C ATOM 156 C ASN A 64 8.725 2.406 -10.252 1.00 0.00 C ATOM 157 O ASN A 64 8.639 2.787 -11.418 1.00 0.00 O ATOM 158 CB ASN A 64 8.632 0.053 -10.967 1.00 0.00 C ATOM 159 CG ASN A 64 8.897 -1.372 -10.498 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.193 -1.897 -9.634 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.923 -2.031 -11.098 1.00 0.00 N ATOM 0 H ASN A 64 7.935 0.254 -8.502 1.00 0.00 H new ATOM 0 HA ASN A 64 10.314 0.936 -9.993 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.561 0.224 -11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.080 0.219 -11.946 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.132 -2.994 -10.837 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.484 -1.562 -11.810 1.00 0.00 H new ATOM 168 N LYS A 65 8.310 3.153 -9.203 1.00 0.00 N ATOM 169 CA LYS A 65 7.940 4.533 -9.350 1.00 0.00 C ATOM 170 C LYS A 65 6.563 4.594 -9.935 1.00 0.00 C ATOM 171 O LYS A 65 6.057 5.670 -10.257 1.00 0.00 O ATOM 172 CB LYS A 65 8.903 5.395 -10.179 1.00 0.00 C ATOM 173 CG LYS A 65 10.380 5.061 -9.946 1.00 0.00 C ATOM 174 CD LYS A 65 10.814 5.161 -8.478 1.00 0.00 C ATOM 175 CE LYS A 65 10.502 6.516 -7.838 1.00 0.00 C ATOM 176 NZ LYS A 65 11.051 6.568 -6.485 1.00 0.00 N ATOM 0 H LYS A 65 8.231 2.798 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 65 7.982 4.966 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.673 5.267 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.735 6.445 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.575 4.050 -10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.994 5.735 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.318 4.376 -7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.886 4.975 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.925 7.319 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.424 6.674 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.835 7.491 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.628 5.812 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.082 6.437 -6.523 1.00 0.00 H new ATOM 190 N GLN A 66 5.891 3.428 -10.027 1.00 0.00 N ATOM 191 CA GLN A 66 4.601 3.384 -10.650 1.00 0.00 C ATOM 192 C GLN A 66 3.577 3.756 -9.637 1.00 0.00 C ATOM 193 O GLN A 66 3.898 4.209 -8.543 1.00 0.00 O ATOM 194 CB GLN A 66 4.216 2.041 -11.292 1.00 0.00 C ATOM 195 CG GLN A 66 4.137 2.092 -12.819 1.00 0.00 C ATOM 196 CD GLN A 66 2.682 1.908 -13.226 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.230 0.795 -13.493 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.908 3.022 -13.224 1.00 0.00 N ATOM 0 H GLN A 66 6.233 2.533 -9.678 1.00 0.00 H new ATOM 0 HA GLN A 66 4.647 4.089 -11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.945 1.286 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.251 1.722 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.517 3.045 -13.188 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.756 1.310 -13.258 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.319 3.928 -12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.915 2.954 -13.449 1.00 0.00 H new ATOM 207 N ARG A 67 2.302 3.637 -10.041 1.00 0.00 N ATOM 208 CA ARG A 67 1.227 4.089 -9.219 1.00 0.00 C ATOM 209 C ARG A 67 -0.029 3.481 -9.753 1.00 0.00 C ATOM 210 O ARG A 67 -0.058 2.972 -10.873 1.00 0.00 O ATOM 211 CB ARG A 67 1.074 5.609 -9.208 1.00 0.00 C ATOM 212 CG ARG A 67 1.233 6.255 -10.586 1.00 0.00 C ATOM 213 CD ARG A 67 2.571 6.977 -10.763 1.00 0.00 C ATOM 214 NE ARG A 67 2.706 7.324 -12.210 1.00 0.00 N ATOM 215 CZ ARG A 67 3.903 7.728 -12.717 1.00 0.00 C ATOM 216 NH1 ARG A 67 5.043 7.578 -12.011 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.989 8.130 -14.005 1.00 0.00 N ATOM 0 H ARG A 67 2.017 3.230 -10.932 1.00 0.00 H new ATOM 0 HA ARG A 67 1.435 3.788 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.092 5.863 -8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.814 6.035 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.138 5.487 -11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.421 6.965 -10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.606 7.876 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.396 6.340 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 67 1.894 7.258 -12.824 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.016 7.156 -11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.932 7.886 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.157 8.130 -14.596 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.885 8.433 -14.386 1.00 0.00 H new ATOM 231 N THR A 68 -1.093 3.523 -8.930 1.00 0.00 N ATOM 232 CA THR A 68 -2.366 3.000 -9.328 1.00 0.00 C ATOM 233 C THR A 68 -3.300 3.254 -8.187 1.00 0.00 C ATOM 234 O THR A 68 -2.861 3.571 -7.082 1.00 0.00 O ATOM 235 CB THR A 68 -2.367 1.497 -9.667 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.632 1.106 -10.183 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.977 0.587 -8.494 1.00 0.00 C ATOM 0 H THR A 68 -1.073 3.918 -7.990 1.00 0.00 H new ATOM 0 HA THR A 68 -2.663 3.496 -10.252 1.00 0.00 H new ATOM 0 HB THR A 68 -1.593 1.366 -10.423 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.617 0.149 -10.395 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.003 -0.454 -8.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.971 0.838 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.680 0.730 -7.673 1.00 0.00 H new ATOM 245 N VAL A 69 -4.618 3.137 -8.439 1.00 0.00 N ATOM 246 CA VAL A 69 -5.576 3.339 -7.392 1.00 0.00 C ATOM 247 C VAL A 69 -6.301 2.046 -7.212 1.00 0.00 C ATOM 248 O VAL A 69 -6.632 1.364 -8.181 1.00 0.00 O ATOM 249 CB VAL A 69 -6.614 4.427 -7.696 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.376 4.907 -6.454 1.00 0.00 C ATOM 251 CG2 VAL A 69 -6.026 5.642 -8.431 1.00 0.00 C ATOM 0 H VAL A 69 -5.016 2.907 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.034 3.666 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.321 3.932 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.093 5.676 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.905 4.067 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.672 5.320 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.814 6.373 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.246 6.095 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.600 5.321 -9.382 1.00 0.00 H new ATOM 261 N VAL A 70 -6.582 1.692 -5.946 1.00 0.00 N ATOM 262 CA VAL A 70 -7.229 0.448 -5.667 1.00 0.00 C ATOM 263 C VAL A 70 -8.181 0.683 -4.540 1.00 0.00 C ATOM 264 O VAL A 70 -8.070 1.667 -3.809 1.00 0.00 O ATOM 265 CB VAL A 70 -6.247 -0.653 -5.250 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.279 -1.048 -6.367 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.430 -0.307 -3.992 1.00 0.00 C ATOM 0 H VAL A 70 -6.365 2.258 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.727 0.110 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.894 -1.500 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.610 -1.831 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.843 -1.416 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.693 -0.179 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.757 -1.132 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.847 0.596 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.106 -0.140 -3.154 1.00 0.00 H new ATOM 277 N ASN A 71 -9.135 -0.249 -4.368 1.00 0.00 N ATOM 278 CA ASN A 71 -10.065 -0.157 -3.285 1.00 0.00 C ATOM 279 C ASN A 71 -9.778 -1.303 -2.361 1.00 0.00 C ATOM 280 O ASN A 71 -9.094 -2.258 -2.729 1.00 0.00 O ATOM 281 CB ASN A 71 -11.534 -0.211 -3.749 1.00 0.00 C ATOM 282 CG ASN A 71 -11.715 -1.402 -4.689 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.036 -2.511 -4.258 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.538 -1.171 -6.019 1.00 0.00 N ATOM 0 H ASN A 71 -9.263 -1.060 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.941 0.807 -2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.197 -0.306 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.802 0.715 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.671 -1.927 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.272 -0.242 -6.344 1.00 0.00 H new ATOM 291 N VAL A 72 -10.302 -1.226 -1.123 1.00 0.00 N ATOM 292 CA VAL A 72 -10.130 -2.305 -0.195 1.00 0.00 C ATOM 293 C VAL A 72 -11.441 -3.021 -0.105 1.00 0.00 C ATOM 294 O VAL A 72 -12.498 -2.403 0.000 1.00 0.00 O ATOM 295 CB VAL A 72 -9.686 -1.852 1.206 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.542 -0.723 1.789 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.595 -2.992 2.237 1.00 0.00 C ATOM 0 H VAL A 72 -10.836 -0.432 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.330 -2.948 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.680 -1.472 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.169 -0.457 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.490 0.148 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.577 -1.055 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.276 -2.589 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.572 -3.462 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.872 -3.734 1.897 1.00 0.00 H new ATOM 369 N SER A 77 -6.298 -6.889 3.301 1.00 0.00 N ATOM 370 CA SER A 77 -5.550 -6.016 4.152 1.00 0.00 C ATOM 371 C SER A 77 -4.167 -5.983 3.651 1.00 0.00 C ATOM 372 O SER A 77 -3.528 -7.029 3.653 1.00 0.00 O ATOM 373 CB SER A 77 -5.453 -6.428 5.605 1.00 0.00 C ATOM 374 OG SER A 77 -6.670 -6.132 6.279 1.00 0.00 O ATOM 0 HA SER A 77 -6.082 -5.065 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.239 -7.495 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.626 -5.905 6.085 1.00 0.00 H new ATOM 0 HG SER A 77 -6.598 -6.404 7.218 1.00 0.00 H new ATOM 380 N LEU A 78 -3.749 -4.759 3.261 1.00 0.00 N ATOM 381 CA LEU A 78 -2.391 -4.461 2.922 1.00 0.00 C ATOM 382 C LEU A 78 -1.861 -5.508 1.999 1.00 0.00 C ATOM 383 O LEU A 78 -1.950 -5.383 0.801 1.00 0.00 O ATOM 384 CB LEU A 78 -1.514 -4.258 4.151 1.00 0.00 C ATOM 385 CG LEU A 78 -1.094 -2.806 4.366 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.427 -2.162 3.177 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.255 -1.835 4.467 1.00 0.00 C ATOM 0 H LEU A 78 -4.375 -3.957 3.180 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.368 -3.505 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.051 -4.607 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.621 -4.876 4.057 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.477 -2.926 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.164 -1.133 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.476 -2.717 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.110 -2.170 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.873 -0.826 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.838 -1.868 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.890 -2.113 5.308 1.00 0.00 H new ATOM 399 N HIS A 79 -1.294 -6.580 2.568 1.00 0.00 N ATOM 400 CA HIS A 79 -0.667 -7.619 1.794 1.00 0.00 C ATOM 401 C HIS A 79 -1.686 -8.187 0.853 1.00 0.00 C ATOM 402 O HIS A 79 -1.487 -8.166 -0.350 1.00 0.00 O ATOM 403 CB HIS A 79 -0.131 -8.774 2.658 1.00 0.00 C ATOM 404 CG HIS A 79 1.346 -8.995 2.510 1.00 0.00 C ATOM 405 ND1 HIS A 79 2.032 -8.659 1.375 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.254 -9.437 3.401 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.323 -8.828 1.603 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.483 -9.342 2.811 1.00 0.00 N ATOM 0 H HIS A 79 -1.266 -6.736 3.576 1.00 0.00 H new ATOM 0 HA HIS A 79 0.179 -7.169 1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.357 -8.570 3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.656 -9.691 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.049 -9.799 4.397 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.119 -8.586 0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.371 -9.620 3.230 1.00 0.00 H new ATOM 417 N ASP A 80 -2.855 -8.600 1.381 1.00 0.00 N ATOM 418 CA ASP A 80 -3.836 -9.252 0.561 1.00 0.00 C ATOM 419 C ASP A 80 -4.654 -8.188 -0.116 1.00 0.00 C ATOM 420 O ASP A 80 -5.539 -8.489 -0.913 1.00 0.00 O ATOM 421 CB ASP A 80 -4.788 -10.137 1.376 1.00 0.00 C ATOM 422 CG ASP A 80 -3.951 -11.143 2.153 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.347 -10.738 3.183 1.00 0.00 O ATOM 424 OD2 ASP A 80 -3.904 -12.325 1.725 1.00 0.00 O ATOM 0 H ASP A 80 -3.120 -8.486 2.359 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.311 -9.890 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.382 -9.529 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.487 -10.652 0.717 1.00 0.00 H new ATOM 429 N CYS A 81 -4.353 -6.911 0.185 1.00 0.00 N ATOM 430 CA CYS A 81 -5.098 -5.822 -0.381 1.00 0.00 C ATOM 431 C CYS A 81 -4.261 -5.230 -1.494 1.00 0.00 C ATOM 432 O CYS A 81 -4.773 -4.567 -2.393 1.00 0.00 O ATOM 433 CB CYS A 81 -5.407 -4.745 0.682 1.00 0.00 C ATOM 434 SG CYS A 81 -6.796 -3.705 0.124 1.00 0.00 S ATOM 0 H CYS A 81 -3.601 -6.631 0.815 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.053 -6.184 -0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.655 -5.219 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.525 -4.128 0.854 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.706 -3.512 -1.158 1.00 0.00 H new ATOM 440 N LEU A 82 -2.945 -5.519 -1.468 1.00 0.00 N ATOM 441 CA LEU A 82 -2.016 -4.958 -2.413 1.00 0.00 C ATOM 442 C LEU A 82 -1.649 -6.040 -3.336 1.00 0.00 C ATOM 443 O LEU A 82 -1.242 -5.788 -4.461 1.00 0.00 O ATOM 444 CB LEU A 82 -0.694 -4.635 -1.722 1.00 0.00 C ATOM 445 CG LEU A 82 -0.740 -3.384 -0.856 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.277 -2.321 -1.276 1.00 0.00 C ATOM 447 CD2 LEU A 82 -2.106 -2.707 -0.831 1.00 0.00 C ATOM 0 H LEU A 82 -2.518 -6.147 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.468 -4.080 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.402 -5.483 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.080 -4.512 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.499 -3.764 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.192 -1.456 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.284 -2.733 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.081 -2.016 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.063 -1.823 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.384 -2.412 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.849 -3.401 -0.438 1.00 0.00 H new ATOM 459 N MET A 83 -1.741 -7.270 -2.817 1.00 0.00 N ATOM 460 CA MET A 83 -1.514 -8.461 -3.575 1.00 0.00 C ATOM 461 C MET A 83 -2.341 -8.389 -4.818 1.00 0.00 C ATOM 462 O MET A 83 -1.955 -8.972 -5.807 1.00 0.00 O ATOM 463 CB MET A 83 -2.053 -9.602 -2.720 1.00 0.00 C ATOM 464 CG MET A 83 -2.278 -10.891 -3.492 1.00 0.00 C ATOM 465 SD MET A 83 -2.317 -12.298 -2.336 1.00 0.00 S ATOM 466 CE MET A 83 -0.550 -12.389 -1.905 1.00 0.00 C ATOM 0 H MET A 83 -1.980 -7.446 -1.841 1.00 0.00 H new ATOM 0 HA MET A 83 -0.463 -8.592 -3.831 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.355 -9.794 -1.905 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.994 -9.291 -2.267 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.215 -10.836 -4.045 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.483 -11.031 -4.225 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.297 -13.411 -1.622 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.050 -12.092 -2.765 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.344 -11.719 -1.070 1.00 0.00 H new ATOM 476 N LYS A 84 -3.439 -7.618 -4.751 1.00 0.00 N ATOM 477 CA LYS A 84 -4.321 -7.451 -5.859 1.00 0.00 C ATOM 478 C LYS A 84 -3.719 -6.440 -6.811 1.00 0.00 C ATOM 479 O LYS A 84 -3.808 -6.591 -8.030 1.00 0.00 O ATOM 480 CB LYS A 84 -5.612 -6.971 -5.237 1.00 0.00 C ATOM 481 CG LYS A 84 -6.152 -5.666 -5.793 1.00 0.00 C ATOM 482 CD LYS A 84 -7.186 -5.068 -4.862 1.00 0.00 C ATOM 483 CE LYS A 84 -8.334 -4.369 -5.590 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.434 -4.120 -4.662 1.00 0.00 N ATOM 0 H LYS A 84 -3.718 -7.104 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.490 -8.356 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.369 -7.744 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.458 -6.854 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.333 -4.960 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.597 -5.840 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.594 -5.857 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.697 -4.352 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.986 -3.428 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.679 -4.986 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.337 -4.153 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.433 -4.847 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.317 -3.182 -4.229 1.00 0.00 H new ATOM 498 N ALA A 85 -3.061 -5.392 -6.263 1.00 0.00 N ATOM 499 CA ALA A 85 -2.601 -4.294 -7.078 1.00 0.00 C ATOM 500 C ALA A 85 -1.300 -4.677 -7.716 1.00 0.00 C ATOM 501 O ALA A 85 -0.720 -3.903 -8.477 1.00 0.00 O ATOM 502 CB ALA A 85 -2.266 -3.225 -6.020 1.00 0.00 C ATOM 0 H ALA A 85 -2.849 -5.303 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.314 -3.994 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.900 -2.326 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.163 -2.985 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.498 -3.607 -5.347 1.00 0.00 H new ATOM 508 N LEU A 86 -0.792 -5.869 -7.374 1.00 0.00 N ATOM 509 CA LEU A 86 0.496 -6.295 -7.840 1.00 0.00 C ATOM 510 C LEU A 86 0.290 -7.607 -8.457 1.00 0.00 C ATOM 511 O LEU A 86 1.107 -8.066 -9.232 1.00 0.00 O ATOM 512 CB LEU A 86 1.375 -6.521 -6.633 1.00 0.00 C ATOM 513 CG LEU A 86 1.483 -5.274 -5.764 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.618 -5.579 -4.313 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.373 -4.197 -6.363 1.00 0.00 C ATOM 0 H LEU A 86 -1.269 -6.542 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 86 0.939 -5.569 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.973 -7.342 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.370 -6.822 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 86 0.516 -4.771 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.690 -4.648 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.746 -6.140 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.517 -6.173 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.405 -3.338 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.381 -4.591 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.972 -3.889 -7.329 1.00 0.00 H new ATOM 527 N LYS A 87 -0.813 -8.247 -8.054 1.00 0.00 N ATOM 528 CA LYS A 87 -1.295 -9.424 -8.727 1.00 0.00 C ATOM 529 C LYS A 87 -1.524 -9.059 -10.161 1.00 0.00 C ATOM 530 O LYS A 87 -1.163 -9.804 -11.070 1.00 0.00 O ATOM 531 CB LYS A 87 -2.694 -9.794 -8.222 1.00 0.00 C ATOM 532 CG LYS A 87 -2.823 -11.246 -7.784 1.00 0.00 C ATOM 533 CD LYS A 87 -3.445 -12.137 -8.860 1.00 0.00 C ATOM 534 CE LYS A 87 -3.611 -13.595 -8.426 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.214 -14.372 -9.504 1.00 0.00 N ATOM 0 H LYS A 87 -1.381 -7.955 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.578 -10.229 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.951 -9.147 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.419 -9.596 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.837 -11.631 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.432 -11.296 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.420 -11.735 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.823 -12.101 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.641 -14.017 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.236 -13.649 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.323 -15.361 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.147 -13.977 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.602 -14.333 -10.344 1.00 0.00 H new ATOM 549 N VAL A 88 -2.166 -7.892 -10.346 1.00 0.00 N ATOM 550 CA VAL A 88 -2.556 -7.419 -11.647 1.00 0.00 C ATOM 551 C VAL A 88 -1.302 -7.105 -12.434 1.00 0.00 C ATOM 552 O VAL A 88 -1.328 -7.015 -13.660 1.00 0.00 O ATOM 553 CB VAL A 88 -3.416 -6.155 -11.479 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.681 -4.993 -10.813 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.949 -5.553 -12.766 1.00 0.00 C ATOM 0 H VAL A 88 -2.420 -7.264 -9.584 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.138 -8.172 -12.178 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.226 -6.549 -10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.352 -4.138 -10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.351 -5.294 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.815 -4.717 -11.415 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.541 -4.667 -12.536 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.115 -5.274 -13.410 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.574 -6.284 -13.278 1.00 0.00 H new ATOM 565 N ARG A 89 -0.163 -6.972 -11.729 1.00 0.00 N ATOM 566 CA ARG A 89 1.090 -6.698 -12.373 1.00 0.00 C ATOM 567 C ARG A 89 1.778 -8.006 -12.593 1.00 0.00 C ATOM 568 O ARG A 89 2.327 -8.265 -13.662 1.00 0.00 O ATOM 569 CB ARG A 89 1.970 -5.865 -11.445 1.00 0.00 C ATOM 570 CG ARG A 89 1.271 -4.608 -10.955 1.00 0.00 C ATOM 571 CD ARG A 89 2.218 -3.618 -10.284 1.00 0.00 C ATOM 572 NE ARG A 89 1.438 -2.383 -9.978 1.00 0.00 N ATOM 573 CZ ARG A 89 1.306 -1.395 -10.906 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.987 -1.443 -12.068 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.568 -0.298 -10.627 1.00 0.00 N ATOM 0 H ARG A 89 -0.107 -7.054 -10.714 1.00 0.00 H new ATOM 0 HA ARG A 89 0.921 -6.163 -13.308 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.265 -6.471 -10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.885 -5.588 -11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.782 -4.119 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.488 -4.887 -10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.633 -4.044 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.058 -3.388 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 89 0.999 -2.278 -9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.611 -2.226 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.878 -0.696 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.109 -0.209 -9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.470 0.441 -11.323 1.00 0.00 H new ATOM 589 N GLY A 90 1.793 -8.824 -11.532 1.00 0.00 N ATOM 590 CA GLY A 90 2.492 -10.079 -11.544 1.00 0.00 C ATOM 591 C GLY A 90 3.676 -9.938 -10.634 1.00 0.00 C ATOM 592 O GLY A 90 4.715 -10.556 -10.853 1.00 0.00 O ATOM 0 H GLY A 90 1.317 -8.619 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.841 -10.885 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.812 -10.331 -12.555 1.00 0.00 H new ATOM 596 N LEU A 91 3.527 -9.125 -9.568 1.00 0.00 N ATOM 597 CA LEU A 91 4.636 -8.815 -8.714 1.00 0.00 C ATOM 598 C LEU A 91 4.373 -9.440 -7.378 1.00 0.00 C ATOM 599 O LEU A 91 3.291 -9.969 -7.121 1.00 0.00 O ATOM 600 CB LEU A 91 4.784 -7.301 -8.489 1.00 0.00 C ATOM 601 CG LEU A 91 5.276 -6.534 -9.721 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.034 -5.251 -9.363 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.110 -7.389 -10.678 1.00 0.00 C ATOM 0 H LEU A 91 2.646 -8.686 -9.299 1.00 0.00 H new ATOM 0 HA LEU A 91 5.545 -9.189 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.821 -6.894 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.479 -7.132 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 91 4.363 -6.252 -10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.357 -4.752 -10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.379 -4.587 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.906 -5.500 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.425 -6.783 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.989 -7.767 -10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.511 -8.227 -11.033 1.00 0.00 H new ATOM 615 N GLN A 92 5.367 -9.341 -6.470 1.00 0.00 N ATOM 616 CA GLN A 92 5.238 -9.924 -5.166 1.00 0.00 C ATOM 617 C GLN A 92 5.475 -8.829 -4.160 1.00 0.00 C ATOM 618 O GLN A 92 6.456 -8.088 -4.240 1.00 0.00 O ATOM 619 CB GLN A 92 6.262 -11.040 -4.910 1.00 0.00 C ATOM 620 CG GLN A 92 6.325 -12.078 -6.038 1.00 0.00 C ATOM 621 CD GLN A 92 7.198 -13.239 -5.568 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.784 -13.199 -4.485 1.00 0.00 O ATOM 623 NE2 GLN A 92 7.320 -14.322 -6.393 1.00 0.00 N ATOM 0 H GLN A 92 6.252 -8.862 -6.637 1.00 0.00 H new ATOM 0 HA GLN A 92 4.245 -10.366 -5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.249 -10.595 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.014 -11.544 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.324 -12.431 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.739 -11.632 -6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.829 -14.340 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.902 -15.112 -6.115 1.00 0.00 H new ATOM 632 N PRO A 93 4.609 -8.835 -3.154 1.00 0.00 N ATOM 633 CA PRO A 93 4.840 -7.732 -2.243 1.00 0.00 C ATOM 634 C PRO A 93 5.473 -8.359 -1.028 1.00 0.00 C ATOM 635 O PRO A 93 5.807 -7.667 -0.069 1.00 0.00 O ATOM 636 CB PRO A 93 3.469 -7.250 -1.825 1.00 0.00 C ATOM 637 CG PRO A 93 2.480 -8.330 -2.251 1.00 0.00 C ATOM 638 CD PRO A 93 3.202 -9.162 -3.301 1.00 0.00 C ATOM 0 HA PRO A 93 5.444 -6.930 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.427 -7.089 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.231 -6.298 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.182 -8.945 -1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.571 -7.889 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.028 -10.227 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.846 -8.924 -4.303 1.00 0.00 H new ATOM 646 N GLU A 94 5.707 -9.686 -1.056 1.00 0.00 N ATOM 647 CA GLU A 94 6.106 -10.391 0.133 1.00 0.00 C ATOM 648 C GLU A 94 7.547 -10.065 0.420 1.00 0.00 C ATOM 649 O GLU A 94 8.046 -10.331 1.512 1.00 0.00 O ATOM 650 CB GLU A 94 5.989 -11.918 -0.003 1.00 0.00 C ATOM 651 CG GLU A 94 4.555 -12.445 0.152 1.00 0.00 C ATOM 652 CD GLU A 94 3.726 -11.951 -1.028 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.245 -11.982 -2.178 1.00 0.00 O ATOM 654 OE2 GLU A 94 2.582 -11.481 -0.792 1.00 0.00 O ATOM 0 H GLU A 94 5.622 -10.268 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 94 5.438 -10.074 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.373 -12.217 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.623 -12.390 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.554 -13.534 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.123 -12.097 1.090 1.00 0.00 H new ATOM 661 N CYS A 95 8.247 -9.455 -0.555 1.00 0.00 N ATOM 662 CA CYS A 95 9.646 -9.186 -0.385 1.00 0.00 C ATOM 663 C CYS A 95 9.816 -7.699 -0.293 1.00 0.00 C ATOM 664 O CYS A 95 10.923 -7.176 -0.429 1.00 0.00 O ATOM 665 CB CYS A 95 10.465 -9.659 -1.589 1.00 0.00 C ATOM 666 SG CYS A 95 10.485 -11.481 -1.639 1.00 0.00 S ATOM 0 H CYS A 95 7.855 -9.152 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 95 9.991 -9.709 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.036 -9.265 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.483 -9.276 -1.522 1.00 0.00 H new ATOM 0 HG CYS A 95 11.179 -11.879 -2.663 1.00 0.00 H new ATOM 672 N CYS A 96 8.715 -6.969 -0.034 1.00 0.00 N ATOM 673 CA CYS A 96 8.774 -5.539 -0.076 1.00 0.00 C ATOM 674 C CYS A 96 8.298 -5.020 1.249 1.00 0.00 C ATOM 675 O CYS A 96 7.748 -5.761 2.063 1.00 0.00 O ATOM 676 CB CYS A 96 7.844 -4.967 -1.149 1.00 0.00 C ATOM 677 SG CYS A 96 8.389 -5.520 -2.798 1.00 0.00 S ATOM 0 H CYS A 96 7.802 -7.358 0.200 1.00 0.00 H new ATOM 0 HA CYS A 96 9.799 -5.243 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.820 -5.292 -0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.846 -3.878 -1.102 1.00 0.00 H new ATOM 0 HG CYS A 96 9.688 -5.501 -2.855 1.00 0.00 H new ATOM 683 N ALA A 97 8.501 -3.706 1.470 1.00 0.00 N ATOM 684 CA ALA A 97 7.947 -3.042 2.614 1.00 0.00 C ATOM 685 C ALA A 97 7.052 -1.969 2.088 1.00 0.00 C ATOM 686 O ALA A 97 7.409 -1.236 1.173 1.00 0.00 O ATOM 687 CB ALA A 97 8.973 -2.361 3.535 1.00 0.00 C ATOM 0 H ALA A 97 9.049 -3.103 0.856 1.00 0.00 H new ATOM 0 HA ALA A 97 7.452 -3.804 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.455 -1.888 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.671 -3.107 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.521 -1.605 2.973 1.00 0.00 H new ATOM 693 N VAL A 98 5.865 -1.831 2.698 1.00 0.00 N ATOM 694 CA VAL A 98 4.906 -0.876 2.232 1.00 0.00 C ATOM 695 C VAL A 98 4.887 0.257 3.215 1.00 0.00 C ATOM 696 O VAL A 98 5.183 0.087 4.399 1.00 0.00 O ATOM 697 CB VAL A 98 3.510 -1.497 2.132 1.00 0.00 C ATOM 698 CG1 VAL A 98 3.095 -2.252 3.393 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.414 -0.514 1.727 1.00 0.00 C ATOM 0 H VAL A 98 5.568 -2.375 3.508 1.00 0.00 H new ATOM 0 HA VAL A 98 5.183 -0.531 1.236 1.00 0.00 H new ATOM 0 HB VAL A 98 3.611 -2.217 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.097 -2.667 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.801 -3.060 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.090 -1.568 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.458 -1.035 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.354 0.288 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.646 -0.093 0.749 1.00 0.00 H new ATOM 709 N PHE A 99 4.502 1.450 2.727 1.00 0.00 N ATOM 710 CA PHE A 99 4.632 2.642 3.506 1.00 0.00 C ATOM 711 C PHE A 99 3.515 3.549 3.115 1.00 0.00 C ATOM 712 O PHE A 99 2.866 3.360 2.085 1.00 0.00 O ATOM 713 CB PHE A 99 5.894 3.438 3.140 1.00 0.00 C ATOM 714 CG PHE A 99 7.078 2.704 3.665 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.702 1.726 2.908 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.698 3.083 4.861 1.00 0.00 C ATOM 717 CE1 PHE A 99 9.009 1.371 3.167 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.952 2.633 5.180 1.00 0.00 C ATOM 719 CZ PHE A 99 9.657 1.899 4.260 1.00 0.00 C ATOM 0 H PHE A 99 4.103 1.589 1.799 1.00 0.00 H new ATOM 0 HA PHE A 99 4.651 2.348 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.969 3.555 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.848 4.440 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.162 1.239 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.180 3.741 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.522 0.681 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.381 2.854 6.146 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.716 1.736 4.393 1.00 0.00 H new ATOM 729 N ARG A 100 3.347 4.627 3.900 1.00 0.00 N ATOM 730 CA ARG A 100 2.577 5.740 3.460 1.00 0.00 C ATOM 731 C ARG A 100 3.546 6.870 3.306 1.00 0.00 C ATOM 732 O ARG A 100 4.549 6.949 4.018 1.00 0.00 O ATOM 733 CB ARG A 100 1.440 6.025 4.427 1.00 0.00 C ATOM 734 CG ARG A 100 1.183 7.504 4.702 1.00 0.00 C ATOM 735 CD ARG A 100 0.167 7.707 5.823 1.00 0.00 C ATOM 736 NE ARG A 100 -0.480 9.039 5.645 1.00 0.00 N ATOM 737 CZ ARG A 100 0.053 10.166 6.191 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.154 10.107 6.964 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.569 11.351 6.009 1.00 0.00 N ATOM 0 H ARG A 100 3.744 4.725 4.835 1.00 0.00 H new ATOM 0 HA ARG A 100 2.079 5.559 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.527 5.580 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.654 5.527 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.120 7.992 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.821 7.985 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.583 6.916 5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.659 7.653 6.794 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.341 9.107 5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.601 9.209 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.541 10.961 7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.431 11.396 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.177 12.201 6.415 1.00 0.00 H new ATOM 753 N LEU A 101 3.287 7.744 2.321 1.00 0.00 N ATOM 754 CA LEU A 101 4.300 8.631 1.832 1.00 0.00 C ATOM 755 C LEU A 101 4.465 9.748 2.815 1.00 0.00 C ATOM 756 O LEU A 101 3.734 9.860 3.804 1.00 0.00 O ATOM 757 CB LEU A 101 3.895 9.237 0.478 1.00 0.00 C ATOM 758 CG LEU A 101 4.038 8.260 -0.693 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.099 7.062 -0.597 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.817 8.916 -2.061 1.00 0.00 C ATOM 0 H LEU A 101 2.381 7.839 1.862 1.00 0.00 H new ATOM 0 HA LEU A 101 5.226 8.070 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.860 9.576 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.508 10.117 0.284 1.00 0.00 H new ATOM 0 HG LEU A 101 5.071 7.921 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.252 6.410 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.307 6.509 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.066 7.410 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.933 8.169 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.812 9.336 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.549 9.711 -2.206 1.00 0.00 H new ATOM 772 N LEU A 102 5.436 10.633 2.524 1.00 0.00 N ATOM 773 CA LEU A 102 5.827 11.639 3.458 1.00 0.00 C ATOM 774 C LEU A 102 4.889 12.798 3.321 1.00 0.00 C ATOM 775 O LEU A 102 5.135 13.748 2.581 1.00 0.00 O ATOM 776 CB LEU A 102 7.282 12.085 3.281 1.00 0.00 C ATOM 777 CG LEU A 102 7.844 11.829 1.878 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.032 12.509 0.773 1.00 0.00 C ATOM 779 CD2 LEU A 102 9.312 12.233 1.736 1.00 0.00 C ATOM 0 H LEU A 102 5.949 10.650 1.642 1.00 0.00 H new ATOM 0 HA LEU A 102 5.770 11.219 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.355 13.150 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.902 11.565 4.011 1.00 0.00 H new ATOM 0 HG LEU A 102 7.766 10.749 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.481 12.290 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.008 12.136 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.028 13.587 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.650 12.027 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.418 13.298 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.916 11.663 2.442 1.00 0.00 H new ATOM 791 N HIS A 103 3.805 12.776 4.118 1.00 0.00 N ATOM 792 CA HIS A 103 2.873 13.863 4.115 1.00 0.00 C ATOM 793 C HIS A 103 3.149 14.684 5.341 1.00 0.00 C ATOM 794 O HIS A 103 2.707 15.825 5.453 1.00 0.00 O ATOM 795 CB HIS A 103 1.414 13.392 4.148 1.00 0.00 C ATOM 796 CG HIS A 103 1.040 12.547 2.964 1.00 0.00 C ATOM 797 ND1 HIS A 103 1.326 11.210 2.897 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.384 12.867 1.828 1.00 0.00 C ATOM 799 CE1 HIS A 103 0.851 10.737 1.754 1.00 0.00 C ATOM 800 NE2 HIS A 103 0.282 11.725 1.083 1.00 0.00 N ATOM 0 H HIS A 103 3.575 12.016 4.758 1.00 0.00 H new ATOM 0 HA HIS A 103 3.001 14.432 3.194 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.243 12.823 5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.759 14.262 4.187 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.010 13.843 1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.918 9.711 1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.158 11.648 0.166 1.00 0.00 H new ATOM 809 N GLU A 104 3.898 14.104 6.303 1.00 0.00 N ATOM 810 CA GLU A 104 4.264 14.833 7.484 1.00 0.00 C ATOM 811 C GLU A 104 5.683 14.469 7.806 1.00 0.00 C ATOM 812 O GLU A 104 6.105 14.515 8.961 1.00 0.00 O ATOM 813 CB GLU A 104 3.411 14.497 8.721 1.00 0.00 C ATOM 814 CG GLU A 104 1.901 14.666 8.500 1.00 0.00 C ATOM 815 CD GLU A 104 1.354 13.398 7.854 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.974 12.309 8.020 1.00 0.00 O ATOM 817 OE2 GLU A 104 0.302 13.480 7.164 1.00 0.00 O ATOM 0 H GLU A 104 4.245 13.146 6.265 1.00 0.00 H new ATOM 0 HA GLU A 104 4.114 15.891 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.612 13.468 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.721 15.136 9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.399 14.853 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.707 15.528 7.862 1.00 0.00 H new ATOM 824 N HIS A 105 6.445 14.024 6.787 1.00 0.00 N ATOM 825 CA HIS A 105 7.814 13.656 7.011 1.00 0.00 C ATOM 826 C HIS A 105 8.594 14.172 5.846 1.00 0.00 C ATOM 827 O HIS A 105 8.036 14.766 4.927 1.00 0.00 O ATOM 828 CB HIS A 105 8.071 12.134 7.130 1.00 0.00 C ATOM 829 CG HIS A 105 6.815 11.318 7.241 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.921 11.474 8.265 1.00 0.00 N ATOM 831 CD2 HIS A 105 6.301 10.396 6.407 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.852 10.738 8.001 1.00 0.00 C ATOM 833 NE2 HIS A 105 5.052 10.084 6.867 1.00 0.00 N ATOM 0 H HIS A 105 6.122 13.920 5.825 1.00 0.00 H new ATOM 0 HA HIS A 105 8.111 14.082 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.635 11.800 6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.694 11.947 8.004 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.785 9.980 5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.963 10.681 8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.388 9.455 6.415 1.00 0.00 H new ATOM 842 N LYS A 106 9.924 13.968 5.873 1.00 0.00 N ATOM 843 CA LYS A 106 10.731 14.321 4.747 1.00 0.00 C ATOM 844 C LYS A 106 11.809 13.294 4.650 1.00 0.00 C ATOM 845 O LYS A 106 12.278 12.771 5.661 1.00 0.00 O ATOM 846 CB LYS A 106 11.400 15.686 4.919 1.00 0.00 C ATOM 847 CG LYS A 106 10.597 16.842 4.317 1.00 0.00 C ATOM 848 CD LYS A 106 10.559 16.836 2.783 1.00 0.00 C ATOM 849 CE LYS A 106 11.944 16.895 2.129 1.00 0.00 C ATOM 850 NZ LYS A 106 12.607 18.151 2.472 1.00 0.00 N ATOM 0 H LYS A 106 10.433 13.566 6.660 1.00 0.00 H new ATOM 0 HA LYS A 106 10.099 14.367 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.553 15.875 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.386 15.659 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.576 16.800 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.025 17.785 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.046 15.935 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.969 17.686 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.549 16.052 2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.848 16.809 1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.491 18.236 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.981 18.949 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.821 18.164 3.490 1.00 0.00 H new ATOM 864 N GLY A 107 12.187 12.943 3.407 1.00 0.00 N ATOM 865 CA GLY A 107 13.304 12.062 3.206 1.00 0.00 C ATOM 866 C GLY A 107 12.781 10.662 3.111 1.00 0.00 C ATOM 867 O GLY A 107 13.122 9.926 2.187 1.00 0.00 O ATOM 0 H GLY A 107 11.730 13.261 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.841 12.330 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.011 12.149 4.031 1.00 0.00 H new ATOM 871 N LYS A 108 11.969 10.241 4.101 1.00 0.00 N ATOM 872 CA LYS A 108 11.625 8.859 4.211 1.00 0.00 C ATOM 873 C LYS A 108 10.146 8.741 4.013 1.00 0.00 C ATOM 874 O LYS A 108 9.530 9.506 3.276 1.00 0.00 O ATOM 875 CB LYS A 108 11.959 8.314 5.606 1.00 0.00 C ATOM 876 CG LYS A 108 13.440 8.432 5.970 1.00 0.00 C ATOM 877 CD LYS A 108 14.367 7.672 5.015 1.00 0.00 C ATOM 878 CE LYS A 108 15.809 7.561 5.521 1.00 0.00 C ATOM 879 NZ LYS A 108 16.466 8.864 5.449 1.00 0.00 N ATOM 0 H LYS A 108 11.559 10.847 4.812 1.00 0.00 H new ATOM 0 HA LYS A 108 12.187 8.293 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.367 8.850 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.663 7.266 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.722 9.485 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.588 8.057 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.968 6.670 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.368 8.173 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.815 7.198 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.358 6.834 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.443 8.779 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.474 9.195 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.949 9.547 6.039 1.00 0.00 H new ATOM 893 N LYS A 109 9.551 7.756 4.701 1.00 0.00 N ATOM 894 CA LYS A 109 8.177 7.434 4.514 1.00 0.00 C ATOM 895 C LYS A 109 7.716 6.843 5.804 1.00 0.00 C ATOM 896 O LYS A 109 8.521 6.358 6.599 1.00 0.00 O ATOM 897 CB LYS A 109 8.070 6.371 3.420 1.00 0.00 C ATOM 898 CG LYS A 109 7.985 6.930 2.005 1.00 0.00 C ATOM 899 CD LYS A 109 7.366 5.938 1.027 1.00 0.00 C ATOM 900 CE LYS A 109 8.227 4.688 0.829 1.00 0.00 C ATOM 901 NZ LYS A 109 9.406 5.020 0.033 1.00 0.00 N ATOM 0 H LYS A 109 10.028 7.178 5.393 1.00 0.00 H new ATOM 0 HA LYS A 109 7.586 8.305 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.935 5.711 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.188 5.760 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.394 7.846 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.984 7.199 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.382 5.642 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.217 6.428 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.531 4.288 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.647 3.911 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.868 4.144 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.119 5.580 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.071 5.572 0.611 1.00 0.00 H new ATOM 915 N ALA A 110 6.395 6.885 6.051 1.00 0.00 N ATOM 916 CA ALA A 110 5.871 6.345 7.274 1.00 0.00 C ATOM 917 C ALA A 110 5.565 4.912 7.014 1.00 0.00 C ATOM 918 O ALA A 110 4.796 4.580 6.116 1.00 0.00 O ATOM 919 CB ALA A 110 4.617 6.994 7.859 1.00 0.00 C ATOM 0 H ALA A 110 5.699 7.283 5.421 1.00 0.00 H new ATOM 0 HA ALA A 110 6.640 6.534 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.338 6.482 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.817 8.044 8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.800 6.919 7.141 1.00 0.00 H new ATOM 925 N ARG A 111 6.190 4.011 7.793 1.00 0.00 N ATOM 926 CA ARG A 111 6.106 2.629 7.481 1.00 0.00 C ATOM 927 C ARG A 111 4.889 2.108 8.151 1.00 0.00 C ATOM 928 O ARG A 111 4.514 2.551 9.235 1.00 0.00 O ATOM 929 CB ARG A 111 7.341 1.933 8.024 1.00 0.00 C ATOM 930 CG ARG A 111 7.473 0.481 7.588 1.00 0.00 C ATOM 931 CD ARG A 111 6.919 -0.489 8.625 1.00 0.00 C ATOM 932 NE ARG A 111 7.160 -1.874 8.120 1.00 0.00 N ATOM 933 CZ ARG A 111 6.554 -2.946 8.705 1.00 0.00 C ATOM 934 NH1 ARG A 111 5.573 -2.782 9.614 1.00 0.00 N ATOM 935 NH2 ARG A 111 6.844 -4.198 8.288 1.00 0.00 N ATOM 0 H ARG A 111 6.741 4.238 8.621 1.00 0.00 H new ATOM 0 HA ARG A 111 6.051 2.458 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.226 2.481 7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.320 1.975 9.113 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.947 0.339 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.523 0.253 7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.409 -0.342 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.854 -0.317 8.780 1.00 0.00 H new ATOM 0 HE ARG A 111 7.786 -2.019 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.272 -1.843 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.132 -3.597 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.517 -4.342 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.390 -4.999 8.726 1.00 0.00 H new ATOM 949 N LEU A 112 4.252 1.140 7.484 1.00 0.00 N ATOM 950 CA LEU A 112 2.944 0.713 7.873 1.00 0.00 C ATOM 951 C LEU A 112 3.068 -0.683 8.387 1.00 0.00 C ATOM 952 O LEU A 112 3.745 -0.935 9.380 1.00 0.00 O ATOM 953 CB LEU A 112 2.001 0.716 6.667 1.00 0.00 C ATOM 954 CG LEU A 112 1.624 2.118 6.195 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.880 2.117 4.859 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.840 2.881 7.254 1.00 0.00 C ATOM 0 H LEU A 112 4.637 0.651 6.676 1.00 0.00 H new ATOM 0 HA LEU A 112 2.540 1.385 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.473 0.179 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.093 0.171 6.924 1.00 0.00 H new ATOM 0 HG LEU A 112 2.567 2.640 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.639 3.142 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.510 1.667 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.040 1.541 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.592 3.873 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.078 2.341 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.444 2.976 8.156 1.00 0.00 H new ATOM 968 N ASP A 113 2.323 -1.614 7.768 1.00 0.00 N ATOM 969 CA ASP A 113 2.474 -3.001 8.080 1.00 0.00 C ATOM 970 C ASP A 113 1.899 -3.765 6.936 1.00 0.00 C ATOM 971 O ASP A 113 1.369 -3.171 6.012 1.00 0.00 O ATOM 972 CB ASP A 113 1.798 -3.434 9.391 1.00 0.00 C ATOM 973 CG ASP A 113 2.493 -4.692 9.893 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.711 -4.606 10.215 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.844 -5.770 9.842 1.00 0.00 O ATOM 0 H ASP A 113 1.621 -1.410 7.057 1.00 0.00 H new ATOM 0 HA ASP A 113 3.535 -3.202 8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.867 -2.640 10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.738 -3.626 9.226 1.00 0.00 H new ATOM 980 N TRP A 114 2.143 -5.091 6.910 1.00 0.00 N ATOM 981 CA TRP A 114 1.616 -5.917 5.876 1.00 0.00 C ATOM 982 C TRP A 114 0.337 -6.522 6.368 1.00 0.00 C ATOM 983 O TRP A 114 -0.433 -7.078 5.587 1.00 0.00 O ATOM 984 CB TRP A 114 2.642 -7.024 5.539 1.00 0.00 C ATOM 985 CG TRP A 114 3.558 -6.673 4.386 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.896 -6.854 4.190 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.058 -6.070 3.198 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.251 -6.389 2.932 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.116 -5.908 2.302 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.781 -5.765 2.916 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.807 -5.393 1.044 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.519 -5.136 1.729 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.481 -5.065 0.751 1.00 0.00 C ATOM 0 H TRP A 114 2.704 -5.585 7.605 1.00 0.00 H new ATOM 0 HA TRP A 114 1.423 -5.335 4.975 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.246 -7.228 6.423 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.107 -7.943 5.300 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.576 -7.293 4.906 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.191 -6.400 2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.985 -6.008 3.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.582 -5.250 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.549 -4.692 1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.211 -4.755 -0.248 1.00 0.00 H new ATOM 1004 N ASN A 115 0.019 -6.309 7.656 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.270 -6.686 8.159 1.00 0.00 C ATOM 1006 C ASN A 115 -2.031 -5.425 8.369 1.00 0.00 C ATOM 1007 O ASN A 115 -3.019 -5.399 9.105 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.153 -7.339 9.544 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.012 -8.591 9.562 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -1.505 -9.711 9.485 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.343 -8.397 9.674 1.00 0.00 N ATOM 0 H ASN A 115 0.641 -5.883 8.343 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.738 -7.378 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.114 -7.590 9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.479 -6.645 10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.975 -9.197 9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.717 -7.450 9.735 1.00 0.00 H new ATOM 1018 N THR A 116 -1.584 -4.330 7.725 1.00 0.00 N ATOM 1019 CA THR A 116 -2.114 -3.047 8.058 1.00 0.00 C ATOM 1020 C THR A 116 -3.479 -2.931 7.439 1.00 0.00 C ATOM 1021 O THR A 116 -3.789 -3.554 6.422 1.00 0.00 O ATOM 1022 CB THR A 116 -1.172 -1.843 7.846 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.523 -1.518 9.067 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.869 -0.507 7.551 1.00 0.00 C ATOM 0 H THR A 116 -0.874 -4.332 6.993 1.00 0.00 H new ATOM 0 HA THR A 116 -2.216 -2.990 9.142 1.00 0.00 H new ATOM 0 HB THR A 116 -0.546 -2.172 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.075 -0.754 8.926 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.119 0.273 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.462 -0.599 6.641 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.521 -0.245 8.384 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.394 -2.249 8.150 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.726 -2.055 7.663 1.00 0.00 C ATOM 1034 C ASP A 117 -5.647 -1.062 6.555 1.00 0.00 C ATOM 1035 O ASP A 117 -5.491 0.136 6.782 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.740 -1.570 8.724 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.010 -1.339 10.044 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.376 -2.300 10.555 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -6.130 -0.211 10.593 1.00 0.00 O ATOM 0 H ASP A 117 -4.212 -1.831 9.063 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.102 -3.025 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.219 -0.648 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.529 -2.310 8.855 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.836 -1.571 5.325 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.874 -0.744 4.148 1.00 0.00 C ATOM 1046 C ALA A 118 -7.139 0.059 4.200 1.00 0.00 C ATOM 1047 O ALA A 118 -7.384 0.900 3.344 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.988 -1.702 2.951 1.00 0.00 C ATOM 0 H ALA A 118 -5.964 -2.566 5.139 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.001 -0.095 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -6.021 -1.126 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.125 -2.367 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.899 -2.293 3.043 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.960 -0.201 5.234 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.211 0.475 5.396 1.00 0.00 C ATOM 1056 C ALA A 119 -9.026 1.541 6.428 1.00 0.00 C ATOM 1057 O ALA A 119 -9.954 2.293 6.714 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.948 -0.706 6.051 1.00 0.00 C ATOM 0 H ALA A 119 -7.755 -0.885 5.963 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.665 0.936 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.974 -0.415 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.954 -1.555 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.439 -0.986 6.973 1.00 0.00 H new ATOM 1064 N SER A 120 -7.802 1.658 6.983 1.00 0.00 N ATOM 1065 CA SER A 120 -7.498 2.766 7.844 1.00 0.00 C ATOM 1066 C SER A 120 -6.486 3.593 7.143 1.00 0.00 C ATOM 1067 O SER A 120 -6.001 4.591 7.672 1.00 0.00 O ATOM 1068 CB SER A 120 -6.921 2.368 9.208 1.00 0.00 C ATOM 1069 OG SER A 120 -7.805 1.479 9.876 1.00 0.00 O ATOM 0 H SER A 120 -7.036 1.000 6.840 1.00 0.00 H new ATOM 0 HA SER A 120 -8.433 3.289 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.949 1.893 9.075 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.761 3.258 9.817 1.00 0.00 H new ATOM 0 HG SER A 120 -7.319 1.003 10.582 1.00 0.00 H new ATOM 1075 N LEU A 121 -6.167 3.189 5.905 1.00 0.00 N ATOM 1076 CA LEU A 121 -5.456 4.038 5.012 1.00 0.00 C ATOM 1077 C LEU A 121 -6.451 4.982 4.439 1.00 0.00 C ATOM 1078 O LEU A 121 -6.734 6.009 5.046 1.00 0.00 O ATOM 1079 CB LEU A 121 -5.035 3.136 3.864 1.00 0.00 C ATOM 1080 CG LEU A 121 -3.884 2.211 4.223 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.495 1.326 3.054 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -2.718 2.964 4.848 1.00 0.00 C ATOM 0 H LEU A 121 -6.402 2.273 5.523 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.625 4.556 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.889 2.537 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.746 3.752 3.013 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.230 1.532 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.669 0.678 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.349 0.715 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.187 1.948 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.919 2.263 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.347 3.710 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.052 3.460 5.760 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.933 4.610 3.240 1.00 0.00 N ATOM 1095 CA ILE A 122 -8.098 5.182 2.655 1.00 0.00 C ATOM 1096 C ILE A 122 -7.955 6.664 2.542 1.00 0.00 C ATOM 1097 O ILE A 122 -8.173 7.424 3.482 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.400 4.725 3.286 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.471 3.208 3.500 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.556 5.055 2.417 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.835 2.412 2.236 1.00 0.00 C ATOM 0 H ILE A 122 -6.497 3.890 2.663 1.00 0.00 H new ATOM 0 HA ILE A 122 -8.174 4.791 1.640 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.436 5.243 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -8.508 2.859 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -10.207 2.995 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.477 4.717 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -10.601 6.133 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.441 4.558 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.864 1.348 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -10.813 2.731 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.086 2.592 1.464 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.812 7.111 1.286 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.746 8.515 0.990 1.00 0.00 C ATOM 1115 C GLY A 123 -6.327 8.948 1.181 1.00 0.00 C ATOM 1116 O GLY A 123 -6.059 10.098 1.517 1.00 0.00 O ATOM 0 H GLY A 123 -7.741 6.504 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.071 8.707 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.410 9.077 1.647 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.374 8.023 0.951 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.000 8.326 1.191 1.00 0.00 C ATOM 1122 C GLU A 124 -3.240 7.891 -0.017 1.00 0.00 C ATOM 1123 O GLU A 124 -3.794 7.281 -0.937 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.430 7.528 2.370 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.187 7.743 3.684 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.773 9.090 4.264 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.560 9.438 4.171 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -4.655 9.791 4.825 1.00 0.00 O ATOM 0 H GLU A 124 -5.553 7.081 0.604 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.915 9.391 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.447 6.467 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.386 7.805 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.263 7.720 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.961 6.942 4.387 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.924 8.149 0.006 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.040 7.582 -0.967 1.00 0.00 C ATOM 1137 C GLU A 125 -0.247 6.541 -0.267 1.00 0.00 C ATOM 1138 O GLU A 125 0.247 6.766 0.840 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.047 8.582 -1.576 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.665 9.448 -2.675 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.260 10.896 -2.430 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.533 11.410 -1.308 1.00 0.00 O ATOM 1143 OE2 GLU A 125 0.347 11.503 -3.351 1.00 0.00 O ATOM 0 H GLU A 125 -1.470 8.748 0.695 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.652 7.206 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.339 9.228 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.803 8.037 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.321 9.119 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.751 9.351 -2.669 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.133 5.362 -0.899 1.00 0.00 N ATOM 1151 CA LEU A 126 0.715 4.333 -0.375 1.00 0.00 C ATOM 1152 C LEU A 126 1.866 4.199 -1.311 1.00 0.00 C ATOM 1153 O LEU A 126 1.742 4.432 -2.510 1.00 0.00 O ATOM 1154 CB LEU A 126 0.075 2.940 -0.283 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.878 2.748 0.903 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.421 1.636 1.857 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -1.142 4.023 1.717 1.00 0.00 C ATOM 0 H LEU A 126 -0.620 5.120 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 126 0.971 4.636 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.472 2.745 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.868 2.195 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.815 2.458 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.133 1.545 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.368 0.691 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.563 1.881 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.826 3.797 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.202 4.397 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.586 4.781 1.072 1.00 0.00 H new ATOM 1169 N GLN A 127 3.022 3.775 -0.776 1.00 0.00 N ATOM 1170 CA GLN A 127 4.136 3.451 -1.615 1.00 0.00 C ATOM 1171 C GLN A 127 4.697 2.176 -1.096 1.00 0.00 C ATOM 1172 O GLN A 127 4.581 1.873 0.088 1.00 0.00 O ATOM 1173 CB GLN A 127 5.264 4.497 -1.615 1.00 0.00 C ATOM 1174 CG GLN A 127 6.101 4.504 -2.906 1.00 0.00 C ATOM 1175 CD GLN A 127 7.568 4.681 -2.535 1.00 0.00 C ATOM 1176 OE1 GLN A 127 8.021 5.789 -2.243 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.351 3.571 -2.577 1.00 0.00 N ATOM 0 H GLN A 127 3.187 3.657 0.224 1.00 0.00 H new ATOM 0 HA GLN A 127 3.771 3.398 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.830 5.486 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.922 4.309 -0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.959 3.572 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.777 5.312 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.944 2.669 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.346 3.640 -2.363 1.00 0.00 H new ATOM 1186 N VAL A 128 5.301 1.384 -1.991 1.00 0.00 N ATOM 1187 CA VAL A 128 5.945 0.179 -1.570 1.00 0.00 C ATOM 1188 C VAL A 128 7.389 0.324 -1.919 1.00 0.00 C ATOM 1189 O VAL A 128 7.737 0.959 -2.911 1.00 0.00 O ATOM 1190 CB VAL A 128 5.351 -1.082 -2.218 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.232 -2.327 -2.073 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.996 -1.489 -1.622 1.00 0.00 C ATOM 0 H VAL A 128 5.346 1.570 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 128 5.798 0.044 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 128 5.260 -0.785 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.746 -3.175 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.198 -2.146 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.380 -2.547 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.632 -2.386 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.113 -1.691 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.279 -0.680 -1.761 1.00 0.00 H new ATOM 1202 N ASP A 129 8.264 -0.196 -1.041 1.00 0.00 N ATOM 1203 CA ASP A 129 9.676 -0.120 -1.272 1.00 0.00 C ATOM 1204 C ASP A 129 10.209 -1.503 -1.103 1.00 0.00 C ATOM 1205 O ASP A 129 9.523 -2.386 -0.601 1.00 0.00 O ATOM 1206 CB ASP A 129 10.377 0.813 -0.269 1.00 0.00 C ATOM 1207 CG ASP A 129 11.201 1.820 -1.055 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.174 1.386 -1.728 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.824 3.025 -1.034 1.00 0.00 O ATOM 0 H ASP A 129 7.998 -0.667 -0.176 1.00 0.00 H new ATOM 0 HA ASP A 129 9.862 0.282 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.642 1.325 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.016 0.239 0.402 1.00 0.00 H new ATOM 1214 N PHE A 130 11.473 -1.723 -1.507 1.00 0.00 N ATOM 1215 CA PHE A 130 12.014 -3.050 -1.480 1.00 0.00 C ATOM 1216 C PHE A 130 12.731 -3.219 -0.180 1.00 0.00 C ATOM 1217 O PHE A 130 13.157 -2.249 0.446 1.00 0.00 O ATOM 1218 CB PHE A 130 12.991 -3.331 -2.635 1.00 0.00 C ATOM 1219 CG PHE A 130 13.135 -4.812 -2.779 1.00 0.00 C ATOM 1220 CD1 PHE A 130 12.154 -5.571 -3.432 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.278 -5.468 -2.345 1.00 0.00 C ATOM 1222 CE1 PHE A 130 12.280 -6.942 -3.552 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.397 -6.843 -2.458 1.00 0.00 C ATOM 1224 CZ PHE A 130 13.397 -7.582 -3.053 1.00 0.00 C ATOM 0 H PHE A 130 12.110 -1.002 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 130 11.190 -3.754 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 130 12.619 -2.894 -3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.959 -2.873 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 130 11.288 -5.078 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 130 15.087 -4.898 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 130 11.503 -7.514 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.278 -7.339 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 130 13.487 -8.656 -3.128 1.00 0.00 H new