USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -151:sc= 0.611 USER MOD Set 1.2: A 136 GLN : amide:sc= -3! K(o=-2.4!,f=0.32) USER MOD Single : A 84 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -40:sc= -0.848 USER MOD Single : A 90 GLN : amide:sc= 0.276 K(o=0.28,f=-5.4!) USER MOD Single : A 91 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.14) USER MOD Single : A 93 LYS NZ :NH3+ -136:sc= 1.18 (180deg=0.616) USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.05) USER MOD Single : A 98 CYS SG : rot -11:sc= 1.2 USER MOD Single : A 99 SER OG : rot 104:sc= 1.16 USER MOD Single : A 103 SER OG : rot -24:sc= 0.0717 USER MOD Single : A 107 CYS SG : rot 120:sc= 1.33 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.209 USER MOD Single : A 119 LYS NZ :NH3+ -168:sc=-0.00224 (180deg=-0.187) USER MOD Single : A 122 THR OG1 : rot 162:sc= 0.178 USER MOD Single : A 123 CYS SG : rot -9:sc= -4.9! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 1.1 K(o=1.1,f=-0.93) USER MOD Single : A 137 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.7) USER MOD Single : A 139 SER OG : rot -143:sc= 0.275 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 146 CYS SG : rot 30:sc= 0.0558 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.368 (180deg=-4.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -5.375 7.644 7.586 1.00 0.00 N ATOM 2 CA ASN A 84 -6.092 6.595 8.315 1.00 0.00 C ATOM 3 C ASN A 84 -6.998 7.187 9.388 1.00 0.00 C ATOM 4 O ASN A 84 -8.172 6.842 9.466 1.00 0.00 O ATOM 5 CB ASN A 84 -5.119 5.545 8.905 1.00 0.00 C ATOM 6 CG ASN A 84 -4.127 6.095 9.922 1.00 0.00 C ATOM 7 OD1 ASN A 84 -3.764 7.276 9.893 1.00 0.00 O ATOM 8 ND2 ASN A 84 -3.669 5.257 10.797 1.00 0.00 N ATOM 0 HA ASN A 84 -6.729 6.076 7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.702 4.755 9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.563 5.085 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.987 5.565 11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.990 4.289 10.793 1.00 0.00 H new ATOM 17 N THR A 85 -6.477 8.103 10.191 1.00 0.00 N ATOM 18 CA THR A 85 -7.260 8.726 11.230 1.00 0.00 C ATOM 19 C THR A 85 -8.263 9.695 10.598 1.00 0.00 C ATOM 20 O THR A 85 -7.866 10.698 9.990 1.00 0.00 O ATOM 21 CB THR A 85 -6.345 9.471 12.223 1.00 0.00 C ATOM 22 OG1 THR A 85 -5.302 8.572 12.665 1.00 0.00 O ATOM 23 CG2 THR A 85 -7.133 9.950 13.437 1.00 0.00 C ATOM 0 H THR A 85 -5.511 8.427 10.137 1.00 0.00 H new ATOM 0 HA THR A 85 -7.801 7.956 11.780 1.00 0.00 H new ATOM 0 HB THR A 85 -5.918 10.339 11.720 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.714 9.038 13.296 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.465 10.472 14.122 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.923 10.628 13.114 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.575 9.093 13.945 1.00 0.00 H new ATOM 31 N ALA A 86 -9.541 9.304 10.644 1.00 0.00 N ATOM 32 CA ALA A 86 -10.702 10.046 10.113 1.00 0.00 C ATOM 33 C ALA A 86 -10.783 9.912 8.602 1.00 0.00 C ATOM 34 O ALA A 86 -11.850 9.710 8.034 1.00 0.00 O ATOM 35 CB ALA A 86 -10.731 11.511 10.571 1.00 0.00 C ATOM 0 H ALA A 86 -9.813 8.419 11.072 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.597 9.590 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.606 12.007 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.780 11.551 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.828 12.017 10.229 1.00 0.00 H new ATOM 41 N ALA A 87 -9.659 9.984 7.974 1.00 0.00 N ATOM 42 CA ALA A 87 -9.566 9.835 6.560 1.00 0.00 C ATOM 43 C ALA A 87 -9.130 8.425 6.233 1.00 0.00 C ATOM 44 O ALA A 87 -7.930 8.112 6.219 1.00 0.00 O ATOM 45 CB ALA A 87 -8.609 10.856 5.966 1.00 0.00 C ATOM 0 H ALA A 87 -8.764 10.151 8.435 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.546 10.015 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.557 10.720 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.966 11.862 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.617 10.719 6.397 1.00 0.00 H new ATOM 51 N SER A 88 -10.089 7.562 6.063 1.00 0.00 N ATOM 52 CA SER A 88 -9.836 6.195 5.702 1.00 0.00 C ATOM 53 C SER A 88 -10.834 5.803 4.605 1.00 0.00 C ATOM 54 O SER A 88 -11.059 4.619 4.308 1.00 0.00 O ATOM 55 CB SER A 88 -9.995 5.317 6.952 1.00 0.00 C ATOM 56 OG SER A 88 -9.595 3.978 6.712 1.00 0.00 O ATOM 0 H SER A 88 -11.078 7.788 6.172 1.00 0.00 H new ATOM 0 HA SER A 88 -8.824 6.060 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.401 5.733 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.035 5.332 7.277 1.00 0.00 H new ATOM 0 HG SER A 88 -9.899 3.700 5.823 1.00 0.00 H new ATOM 62 N LEU A 89 -11.363 6.818 3.962 1.00 0.00 N ATOM 63 CA LEU A 89 -12.386 6.677 2.942 1.00 0.00 C ATOM 64 C LEU A 89 -11.781 6.727 1.549 1.00 0.00 C ATOM 65 O LEU A 89 -12.484 6.856 0.547 1.00 0.00 O ATOM 66 CB LEU A 89 -13.477 7.763 3.148 1.00 0.00 C ATOM 67 CG LEU A 89 -13.016 9.237 3.369 1.00 0.00 C ATOM 68 CD1 LEU A 89 -12.366 9.855 2.135 1.00 0.00 C ATOM 69 CD2 LEU A 89 -14.180 10.086 3.825 1.00 0.00 C ATOM 0 H LEU A 89 -11.091 7.786 4.134 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.858 5.699 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.133 7.746 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.080 7.470 4.007 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.251 9.211 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.068 10.880 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.487 9.274 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.078 9.853 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.845 11.112 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.963 10.068 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.573 9.691 4.762 1.00 0.00 H new ATOM 81 N GLN A 90 -10.479 6.632 1.502 1.00 0.00 N ATOM 82 CA GLN A 90 -9.747 6.700 0.268 1.00 0.00 C ATOM 83 C GLN A 90 -10.042 5.496 -0.608 1.00 0.00 C ATOM 84 O GLN A 90 -9.918 4.344 -0.176 1.00 0.00 O ATOM 85 CB GLN A 90 -8.229 6.850 0.492 1.00 0.00 C ATOM 86 CG GLN A 90 -7.792 8.153 1.175 1.00 0.00 C ATOM 87 CD GLN A 90 -8.133 8.223 2.654 1.00 0.00 C ATOM 88 OE1 GLN A 90 -9.209 8.677 3.050 1.00 0.00 O ATOM 89 NE2 GLN A 90 -7.231 7.781 3.476 1.00 0.00 N ATOM 0 H GLN A 90 -9.893 6.504 2.327 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.086 7.598 -0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.883 6.010 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.727 6.779 -0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.715 8.270 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.262 8.994 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.351 7.411 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.402 7.803 4.481 1.00 0.00 H new ATOM 98 N GLN A 91 -10.450 5.769 -1.814 1.00 0.00 N ATOM 99 CA GLN A 91 -10.767 4.752 -2.770 1.00 0.00 C ATOM 100 C GLN A 91 -9.617 4.667 -3.738 1.00 0.00 C ATOM 101 O GLN A 91 -9.331 5.621 -4.468 1.00 0.00 O ATOM 102 CB GLN A 91 -12.062 5.091 -3.515 1.00 0.00 C ATOM 103 CG GLN A 91 -12.572 3.987 -4.441 1.00 0.00 C ATOM 104 CD GLN A 91 -12.939 2.724 -3.687 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.072 2.572 -3.231 1.00 0.00 O ATOM 106 NE2 GLN A 91 -12.015 1.793 -3.589 1.00 0.00 N ATOM 0 H GLN A 91 -10.573 6.719 -2.164 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.920 3.797 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.837 5.320 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.901 5.995 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.444 4.348 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.807 3.755 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.086 1.953 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.227 0.911 -3.123 1.00 0.00 H new ATOM 115 N TRP A 92 -8.944 3.577 -3.711 1.00 0.00 N ATOM 116 CA TRP A 92 -7.790 3.371 -4.541 1.00 0.00 C ATOM 117 C TRP A 92 -8.145 2.504 -5.729 1.00 0.00 C ATOM 118 O TRP A 92 -9.213 1.858 -5.735 1.00 0.00 O ATOM 119 CB TRP A 92 -6.716 2.678 -3.727 1.00 0.00 C ATOM 120 CG TRP A 92 -6.255 3.445 -2.528 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.758 3.384 -1.261 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.179 4.370 -2.487 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.053 4.213 -0.435 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.075 4.835 -1.165 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.289 4.845 -3.441 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.114 5.755 -0.777 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.338 5.751 -3.062 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.254 6.200 -1.739 1.00 0.00 C ATOM 0 H TRP A 92 -9.172 2.786 -3.109 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.432 4.336 -4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.094 1.709 -3.400 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.858 2.484 -4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.592 2.770 -0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.226 4.347 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.347 4.505 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.048 6.105 0.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.640 6.127 -3.796 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.490 6.916 -1.473 1.00 0.00 H new ATOM 139 N LYS A 93 -7.296 2.510 -6.737 1.00 0.00 N ATOM 140 CA LYS A 93 -7.454 1.615 -7.865 1.00 0.00 C ATOM 141 C LYS A 93 -6.122 0.931 -8.127 1.00 0.00 C ATOM 142 O LYS A 93 -5.073 1.401 -7.667 1.00 0.00 O ATOM 143 CB LYS A 93 -7.971 2.341 -9.130 1.00 0.00 C ATOM 144 CG LYS A 93 -6.995 3.308 -9.758 1.00 0.00 C ATOM 145 CD LYS A 93 -7.632 4.057 -10.917 1.00 0.00 C ATOM 146 CE LYS A 93 -6.689 5.093 -11.519 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.283 6.121 -10.533 1.00 0.00 N ATOM 0 H LYS A 93 -6.486 3.128 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.213 0.872 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.246 1.592 -9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.881 2.883 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.650 4.019 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.118 2.766 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.928 3.346 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.541 4.551 -10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.801 4.592 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.176 5.577 -12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.330 7.062 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.924 6.089 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.310 5.935 -10.218 1.00 0.00 H new ATOM 161 N VAL A 94 -6.162 -0.184 -8.804 1.00 0.00 N ATOM 162 CA VAL A 94 -4.968 -0.935 -9.127 1.00 0.00 C ATOM 163 C VAL A 94 -4.088 -0.089 -10.035 1.00 0.00 C ATOM 164 O VAL A 94 -4.565 0.452 -11.038 1.00 0.00 O ATOM 165 CB VAL A 94 -5.322 -2.274 -9.829 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.066 -3.035 -10.207 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.189 -3.129 -8.925 1.00 0.00 C ATOM 0 H VAL A 94 -7.025 -0.603 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.438 -1.173 -8.205 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.874 -2.042 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.340 -3.969 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.465 -2.431 -10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.488 -3.253 -9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.429 -4.065 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.651 -3.343 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.110 -2.595 -8.693 1.00 0.00 H new ATOM 177 N GLY A 95 -2.841 0.053 -9.674 1.00 0.00 N ATOM 178 CA GLY A 95 -1.940 0.852 -10.450 1.00 0.00 C ATOM 179 C GLY A 95 -1.728 2.229 -9.879 1.00 0.00 C ATOM 180 O GLY A 95 -1.080 3.065 -10.507 1.00 0.00 O ATOM 0 H GLY A 95 -2.428 -0.376 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.979 0.342 -10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.326 0.942 -11.465 1.00 0.00 H new ATOM 184 N ASP A 96 -2.255 2.474 -8.697 1.00 0.00 N ATOM 185 CA ASP A 96 -2.065 3.764 -8.041 1.00 0.00 C ATOM 186 C ASP A 96 -0.857 3.716 -7.177 1.00 0.00 C ATOM 187 O ASP A 96 -0.611 2.714 -6.495 1.00 0.00 O ATOM 188 CB ASP A 96 -3.255 4.219 -7.169 1.00 0.00 C ATOM 189 CG ASP A 96 -4.418 4.817 -7.910 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.230 5.375 -9.014 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.547 4.815 -7.365 1.00 0.00 O ATOM 0 H ASP A 96 -2.816 1.806 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.963 4.486 -8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.613 3.361 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.893 4.951 -6.447 1.00 0.00 H new ATOM 196 N LYS A 97 -0.084 4.754 -7.227 1.00 0.00 N ATOM 197 CA LYS A 97 1.053 4.889 -6.386 1.00 0.00 C ATOM 198 C LYS A 97 0.598 5.365 -5.046 1.00 0.00 C ATOM 199 O LYS A 97 -0.329 6.186 -4.952 1.00 0.00 O ATOM 200 CB LYS A 97 2.060 5.856 -6.973 1.00 0.00 C ATOM 201 CG LYS A 97 2.511 5.447 -8.354 1.00 0.00 C ATOM 202 CD LYS A 97 3.813 6.111 -8.743 1.00 0.00 C ATOM 203 CE LYS A 97 3.670 7.618 -8.902 1.00 0.00 C ATOM 204 NZ LYS A 97 4.937 8.254 -9.329 1.00 0.00 N ATOM 0 H LYS A 97 -0.230 5.539 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 97 1.547 3.922 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.620 6.852 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.926 5.919 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.631 4.364 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.740 5.707 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.567 5.898 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.171 5.682 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.892 7.833 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.347 8.053 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.728 9.128 -9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.511 8.480 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.463 7.601 -9.944 1.00 0.00 H new ATOM 218 N CYS A 98 1.199 4.850 -4.037 1.00 0.00 N ATOM 219 CA CYS A 98 0.854 5.178 -2.688 1.00 0.00 C ATOM 220 C CYS A 98 2.069 4.956 -1.799 1.00 0.00 C ATOM 221 O CYS A 98 3.205 4.832 -2.294 1.00 0.00 O ATOM 222 CB CYS A 98 -0.322 4.285 -2.238 1.00 0.00 C ATOM 223 SG CYS A 98 0.011 2.516 -2.315 1.00 0.00 S ATOM 0 H CYS A 98 1.960 4.175 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 98 0.550 6.222 -2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.590 4.547 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.189 4.506 -2.861 1.00 0.00 H new ATOM 0 HG CYS A 98 1.118 2.311 -2.965 1.00 0.00 H new ATOM 229 N SER A 99 1.851 4.942 -0.528 1.00 0.00 N ATOM 230 CA SER A 99 2.860 4.606 0.406 1.00 0.00 C ATOM 231 C SER A 99 2.241 3.590 1.335 1.00 0.00 C ATOM 232 O SER A 99 1.027 3.641 1.589 1.00 0.00 O ATOM 233 CB SER A 99 3.329 5.821 1.186 1.00 0.00 C ATOM 234 OG SER A 99 3.562 6.947 0.335 1.00 0.00 O ATOM 0 H SER A 99 0.950 5.168 -0.106 1.00 0.00 H new ATOM 0 HA SER A 99 3.740 4.212 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.581 6.081 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.246 5.576 1.722 1.00 0.00 H new ATOM 0 HG SER A 99 2.825 7.586 0.429 1.00 0.00 H new ATOM 240 N ALA A 100 3.017 2.684 1.810 1.00 0.00 N ATOM 241 CA ALA A 100 2.515 1.610 2.621 1.00 0.00 C ATOM 242 C ALA A 100 3.470 1.299 3.742 1.00 0.00 C ATOM 243 O ALA A 100 4.632 1.721 3.703 1.00 0.00 O ATOM 244 CB ALA A 100 2.246 0.387 1.763 1.00 0.00 C ATOM 0 H ALA A 100 4.024 2.657 1.652 1.00 0.00 H new ATOM 0 HA ALA A 100 1.572 1.919 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.866 -0.420 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.507 0.633 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.171 0.069 1.283 1.00 0.00 H new ATOM 250 N ILE A 101 2.977 0.616 4.742 1.00 0.00 N ATOM 251 CA ILE A 101 3.769 0.247 5.883 1.00 0.00 C ATOM 252 C ILE A 101 4.400 -1.117 5.653 1.00 0.00 C ATOM 253 O ILE A 101 3.700 -2.113 5.546 1.00 0.00 O ATOM 254 CB ILE A 101 2.907 0.178 7.194 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.518 1.565 7.713 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.623 -0.613 8.278 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.662 2.316 8.360 1.00 0.00 C ATOM 0 H ILE A 101 2.009 0.299 4.787 1.00 0.00 H new ATOM 0 HA ILE A 101 4.535 1.012 6.007 1.00 0.00 H new ATOM 0 HB ILE A 101 1.984 -0.340 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.129 2.157 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.710 1.459 8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.004 -0.645 9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.806 -1.629 7.927 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.574 -0.133 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.311 3.289 8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.037 1.746 9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.463 2.455 7.634 1.00 0.00 H new ATOM 269 N TRP A 102 5.707 -1.151 5.593 1.00 0.00 N ATOM 270 CA TRP A 102 6.424 -2.390 5.430 1.00 0.00 C ATOM 271 C TRP A 102 6.205 -3.220 6.657 1.00 0.00 C ATOM 272 O TRP A 102 6.586 -2.811 7.712 1.00 0.00 O ATOM 273 CB TRP A 102 7.912 -2.134 5.286 1.00 0.00 C ATOM 274 CG TRP A 102 8.663 -3.308 4.764 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.164 -4.309 3.998 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.044 -3.590 4.930 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.142 -5.193 3.670 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.311 -4.777 4.224 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.081 -2.959 5.598 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.570 -5.339 4.170 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.333 -3.520 5.548 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.566 -4.699 4.836 1.00 0.00 C ATOM 0 H TRP A 102 6.302 -0.325 5.655 1.00 0.00 H new ATOM 0 HA TRP A 102 6.064 -2.897 4.535 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.065 -1.287 4.617 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.321 -1.852 6.256 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.132 -4.392 3.691 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.019 -6.031 3.102 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.908 -2.045 6.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.756 -6.250 3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.151 -3.042 6.067 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.564 -5.112 4.814 1.00 0.00 H new ATOM 293 N SER A 103 5.631 -4.377 6.521 1.00 0.00 N ATOM 294 CA SER A 103 5.318 -5.199 7.692 1.00 0.00 C ATOM 295 C SER A 103 6.590 -5.681 8.416 1.00 0.00 C ATOM 296 O SER A 103 6.525 -6.150 9.553 1.00 0.00 O ATOM 297 CB SER A 103 4.430 -6.383 7.315 1.00 0.00 C ATOM 298 OG SER A 103 3.905 -7.043 8.468 1.00 0.00 O ATOM 0 H SER A 103 5.364 -4.787 5.626 1.00 0.00 H new ATOM 0 HA SER A 103 4.767 -4.565 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.608 -6.035 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.005 -7.093 6.720 1.00 0.00 H new ATOM 0 HG SER A 103 4.492 -6.878 9.235 1.00 0.00 H new ATOM 304 N GLU A 104 7.734 -5.574 7.761 1.00 0.00 N ATOM 305 CA GLU A 104 8.971 -6.010 8.363 1.00 0.00 C ATOM 306 C GLU A 104 9.548 -4.968 9.288 1.00 0.00 C ATOM 307 O GLU A 104 10.030 -5.296 10.367 1.00 0.00 O ATOM 308 CB GLU A 104 9.992 -6.350 7.310 1.00 0.00 C ATOM 309 CG GLU A 104 9.578 -7.474 6.416 1.00 0.00 C ATOM 310 CD GLU A 104 9.478 -8.781 7.144 1.00 0.00 C ATOM 311 OE1 GLU A 104 8.419 -9.067 7.760 1.00 0.00 O ATOM 312 OE2 GLU A 104 10.446 -9.562 7.118 1.00 0.00 O ATOM 0 H GLU A 104 7.826 -5.191 6.820 1.00 0.00 H new ATOM 0 HA GLU A 104 8.735 -6.900 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.184 -5.465 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.931 -6.612 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.614 -7.239 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.296 -7.570 5.602 1.00 0.00 H new ATOM 319 N ASP A 105 9.504 -3.719 8.882 1.00 0.00 N ATOM 320 CA ASP A 105 10.134 -2.683 9.692 1.00 0.00 C ATOM 321 C ASP A 105 9.088 -1.759 10.264 1.00 0.00 C ATOM 322 O ASP A 105 9.338 -1.009 11.192 1.00 0.00 O ATOM 323 CB ASP A 105 11.127 -1.895 8.850 1.00 0.00 C ATOM 324 CG ASP A 105 12.099 -1.102 9.682 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.113 -1.681 10.137 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.898 0.098 9.876 1.00 0.00 O ATOM 0 H ASP A 105 9.056 -3.395 8.025 1.00 0.00 H new ATOM 0 HA ASP A 105 10.668 -3.157 10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.680 -2.583 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.582 -1.218 8.193 1.00 0.00 H new ATOM 331 N GLY A 106 7.916 -1.814 9.687 1.00 0.00 N ATOM 332 CA GLY A 106 6.795 -1.012 10.156 1.00 0.00 C ATOM 333 C GLY A 106 6.856 0.414 9.670 1.00 0.00 C ATOM 334 O GLY A 106 6.117 1.269 10.143 1.00 0.00 O ATOM 0 H GLY A 106 7.703 -2.408 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.863 -1.466 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.779 -1.020 11.246 1.00 0.00 H new ATOM 338 N CYS A 107 7.773 0.690 8.782 1.00 0.00 N ATOM 339 CA CYS A 107 7.940 2.016 8.263 1.00 0.00 C ATOM 340 C CYS A 107 7.175 2.263 6.963 1.00 0.00 C ATOM 341 O CYS A 107 6.791 1.316 6.267 1.00 0.00 O ATOM 342 CB CYS A 107 9.406 2.356 8.137 1.00 0.00 C ATOM 343 SG CYS A 107 10.260 2.471 9.715 1.00 0.00 S ATOM 0 H CYS A 107 8.423 0.002 8.400 1.00 0.00 H new ATOM 0 HA CYS A 107 7.492 2.697 8.987 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.894 1.598 7.524 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.506 3.305 7.610 1.00 0.00 H new ATOM 0 HG CYS A 107 11.218 1.593 9.755 1.00 0.00 H new ATOM 349 N ILE A 108 6.964 3.535 6.660 1.00 0.00 N ATOM 350 CA ILE A 108 6.323 3.982 5.429 1.00 0.00 C ATOM 351 C ILE A 108 7.308 3.893 4.284 1.00 0.00 C ATOM 352 O ILE A 108 8.436 4.378 4.387 1.00 0.00 O ATOM 353 CB ILE A 108 5.889 5.467 5.510 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.999 5.723 6.705 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.154 5.858 4.235 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.647 5.085 6.608 1.00 0.00 C ATOM 0 H ILE A 108 7.238 4.302 7.274 1.00 0.00 H new ATOM 0 HA ILE A 108 5.452 3.344 5.279 1.00 0.00 H new ATOM 0 HB ILE A 108 6.788 6.072 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.498 5.356 7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.873 6.799 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.850 6.903 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.814 5.721 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.271 5.230 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.071 5.316 7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.125 5.469 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.760 4.005 6.518 1.00 0.00 H new ATOM 368 N TYR A 109 6.893 3.280 3.228 1.00 0.00 N ATOM 369 CA TYR A 109 7.678 3.176 2.013 1.00 0.00 C ATOM 370 C TYR A 109 6.789 3.384 0.803 1.00 0.00 C ATOM 371 O TYR A 109 5.593 3.090 0.868 1.00 0.00 O ATOM 372 CB TYR A 109 8.373 1.824 1.928 1.00 0.00 C ATOM 373 CG TYR A 109 9.486 1.631 2.922 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.764 2.051 2.627 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.263 1.016 4.140 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.790 1.866 3.514 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.287 0.827 5.037 1.00 0.00 C ATOM 378 CZ TYR A 109 11.550 1.257 4.719 1.00 0.00 C ATOM 379 OH TYR A 109 12.581 1.071 5.603 1.00 0.00 O ATOM 0 H TYR A 109 5.983 2.823 3.169 1.00 0.00 H new ATOM 0 HA TYR A 109 8.444 3.951 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.632 1.039 2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.775 1.699 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.960 2.534 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.268 0.679 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.787 2.199 3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.099 0.344 5.984 1.00 0.00 H new ATOM 0 HH TYR A 109 12.245 0.627 6.409 1.00 0.00 H new ATOM 389 N PRO A 110 7.340 3.923 -0.300 1.00 0.00 N ATOM 390 CA PRO A 110 6.583 4.147 -1.526 1.00 0.00 C ATOM 391 C PRO A 110 6.262 2.828 -2.211 1.00 0.00 C ATOM 392 O PRO A 110 7.151 1.994 -2.447 1.00 0.00 O ATOM 393 CB PRO A 110 7.532 4.984 -2.392 1.00 0.00 C ATOM 394 CG PRO A 110 8.894 4.640 -1.905 1.00 0.00 C ATOM 395 CD PRO A 110 8.750 4.344 -0.441 1.00 0.00 C ATOM 0 HA PRO A 110 5.626 4.637 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.418 4.744 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.330 6.050 -2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.293 3.778 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.587 5.465 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.435 3.558 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.968 5.222 0.167 1.00 0.00 H new ATOM 403 N ALA A 111 5.023 2.630 -2.523 1.00 0.00 N ATOM 404 CA ALA A 111 4.598 1.415 -3.125 1.00 0.00 C ATOM 405 C ALA A 111 3.451 1.666 -4.056 1.00 0.00 C ATOM 406 O ALA A 111 2.660 2.562 -3.841 1.00 0.00 O ATOM 407 CB ALA A 111 4.192 0.418 -2.062 1.00 0.00 C ATOM 0 H ALA A 111 4.278 3.309 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 111 5.430 1.003 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.868 -0.508 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.042 0.214 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.373 0.829 -1.472 1.00 0.00 H new ATOM 413 N THR A 112 3.340 0.876 -5.058 1.00 0.00 N ATOM 414 CA THR A 112 2.265 1.022 -5.985 1.00 0.00 C ATOM 415 C THR A 112 1.347 -0.179 -5.822 1.00 0.00 C ATOM 416 O THR A 112 1.797 -1.261 -5.483 1.00 0.00 O ATOM 417 CB THR A 112 2.806 1.095 -7.431 1.00 0.00 C ATOM 418 OG1 THR A 112 3.859 2.084 -7.499 1.00 0.00 O ATOM 419 CG2 THR A 112 1.705 1.513 -8.384 1.00 0.00 C ATOM 0 H THR A 112 3.984 0.112 -5.264 1.00 0.00 H new ATOM 0 HA THR A 112 1.719 1.945 -5.790 1.00 0.00 H new ATOM 0 HB THR A 112 3.182 0.111 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.205 2.131 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.101 1.560 -9.399 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.894 0.786 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.327 2.494 -8.096 1.00 0.00 H new ATOM 427 N ILE A 113 0.089 0.026 -6.037 1.00 0.00 N ATOM 428 CA ILE A 113 -0.897 -1.007 -5.862 1.00 0.00 C ATOM 429 C ILE A 113 -0.891 -1.966 -7.045 1.00 0.00 C ATOM 430 O ILE A 113 -1.103 -1.557 -8.187 1.00 0.00 O ATOM 431 CB ILE A 113 -2.287 -0.384 -5.707 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.260 0.632 -4.568 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.313 -1.466 -5.430 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.499 1.465 -4.467 1.00 0.00 C ATOM 0 H ILE A 113 -0.294 0.921 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.650 -1.567 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.565 0.124 -6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.112 0.103 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.402 1.290 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.299 -1.014 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.328 -2.174 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.051 -1.989 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.402 2.162 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.639 2.023 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.360 0.818 -4.300 1.00 0.00 H new ATOM 446 N ALA A 114 -0.668 -3.220 -6.758 1.00 0.00 N ATOM 447 CA ALA A 114 -0.607 -4.252 -7.766 1.00 0.00 C ATOM 448 C ALA A 114 -1.942 -4.936 -7.916 1.00 0.00 C ATOM 449 O ALA A 114 -2.290 -5.392 -8.991 1.00 0.00 O ATOM 450 CB ALA A 114 0.446 -5.278 -7.410 1.00 0.00 C ATOM 0 H ALA A 114 -0.521 -3.561 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.344 -3.779 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.478 -6.048 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.419 -4.792 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.200 -5.734 -6.451 1.00 0.00 H new ATOM 456 N SER A 115 -2.683 -5.043 -6.834 1.00 0.00 N ATOM 457 CA SER A 115 -3.983 -5.706 -6.857 1.00 0.00 C ATOM 458 C SER A 115 -4.794 -5.236 -5.671 1.00 0.00 C ATOM 459 O SER A 115 -4.217 -4.911 -4.650 1.00 0.00 O ATOM 460 CB SER A 115 -3.805 -7.229 -6.753 1.00 0.00 C ATOM 461 OG SER A 115 -2.933 -7.739 -7.756 1.00 0.00 O ATOM 0 H SER A 115 -2.412 -4.680 -5.920 1.00 0.00 H new ATOM 0 HA SER A 115 -4.489 -5.463 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.410 -7.480 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.778 -7.713 -6.839 1.00 0.00 H new ATOM 0 HG SER A 115 -2.847 -8.710 -7.652 1.00 0.00 H new ATOM 467 N ILE A 116 -6.102 -5.175 -5.805 1.00 0.00 N ATOM 468 CA ILE A 116 -6.981 -4.797 -4.730 1.00 0.00 C ATOM 469 C ILE A 116 -8.086 -5.824 -4.579 1.00 0.00 C ATOM 470 O ILE A 116 -8.615 -6.331 -5.570 1.00 0.00 O ATOM 471 CB ILE A 116 -7.647 -3.431 -5.009 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.610 -2.339 -5.144 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.653 -3.079 -3.918 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.180 -1.042 -5.580 1.00 0.00 C ATOM 0 H ILE A 116 -6.586 -5.390 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.380 -4.736 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.183 -3.512 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.107 -2.204 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.851 -2.654 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.107 -2.113 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.429 -3.844 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.143 -3.029 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.383 -0.302 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.658 -1.163 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.918 -0.706 -4.852 1.00 0.00 H new ATOM 486 N ASP A 117 -8.411 -6.126 -3.362 1.00 0.00 N ATOM 487 CA ASP A 117 -9.535 -6.943 -3.041 1.00 0.00 C ATOM 488 C ASP A 117 -10.500 -6.024 -2.373 1.00 0.00 C ATOM 489 O ASP A 117 -10.339 -5.690 -1.199 1.00 0.00 O ATOM 490 CB ASP A 117 -9.172 -8.065 -2.084 1.00 0.00 C ATOM 491 CG ASP A 117 -10.262 -9.091 -1.955 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.386 -8.756 -1.566 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.996 -10.279 -2.217 1.00 0.00 O ATOM 0 H ASP A 117 -7.890 -5.804 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.934 -7.417 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.260 -8.551 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.956 -7.644 -1.102 1.00 0.00 H new ATOM 498 N PHE A 118 -11.457 -5.565 -3.113 1.00 0.00 N ATOM 499 CA PHE A 118 -12.400 -4.594 -2.617 1.00 0.00 C ATOM 500 C PHE A 118 -13.301 -5.172 -1.536 1.00 0.00 C ATOM 501 O PHE A 118 -13.833 -4.431 -0.703 1.00 0.00 O ATOM 502 CB PHE A 118 -13.221 -4.005 -3.748 1.00 0.00 C ATOM 503 CG PHE A 118 -12.418 -3.227 -4.766 1.00 0.00 C ATOM 504 CD1 PHE A 118 -11.967 -1.939 -4.485 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.134 -3.769 -6.009 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.250 -1.221 -5.424 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.414 -3.054 -6.949 1.00 0.00 C ATOM 508 CZ PHE A 118 -10.974 -1.779 -6.655 1.00 0.00 C ATOM 0 H PHE A 118 -11.614 -5.848 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.822 -3.791 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.746 -4.813 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.981 -3.348 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.180 -1.497 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.480 -4.764 -6.247 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -10.906 -0.223 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.196 -3.493 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.414 -1.218 -7.389 1.00 0.00 H new ATOM 518 N LYS A 119 -13.467 -6.487 -1.540 1.00 0.00 N ATOM 519 CA LYS A 119 -14.283 -7.145 -0.539 1.00 0.00 C ATOM 520 C LYS A 119 -13.568 -7.183 0.796 1.00 0.00 C ATOM 521 O LYS A 119 -14.163 -6.901 1.833 1.00 0.00 O ATOM 522 CB LYS A 119 -14.626 -8.555 -0.981 1.00 0.00 C ATOM 523 CG LYS A 119 -15.574 -8.631 -2.157 1.00 0.00 C ATOM 524 CD LYS A 119 -16.990 -8.248 -1.755 1.00 0.00 C ATOM 525 CE LYS A 119 -17.942 -8.334 -2.930 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.603 -7.361 -3.980 1.00 0.00 N ATOM 0 H LYS A 119 -13.047 -7.115 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.205 -6.575 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.704 -9.075 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.068 -9.089 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.227 -7.967 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.571 -9.642 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.334 -8.907 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.994 -7.234 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.916 -9.341 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.961 -8.157 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.382 -7.306 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.453 -6.426 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.734 -7.663 -4.466 1.00 0.00 H new ATOM 540 N ARG A 120 -12.273 -7.468 0.770 1.00 0.00 N ATOM 541 CA ARG A 120 -11.499 -7.525 2.016 1.00 0.00 C ATOM 542 C ARG A 120 -10.985 -6.165 2.394 1.00 0.00 C ATOM 543 O ARG A 120 -10.484 -5.967 3.513 1.00 0.00 O ATOM 544 CB ARG A 120 -10.302 -8.450 1.880 1.00 0.00 C ATOM 545 CG ARG A 120 -10.633 -9.903 1.727 1.00 0.00 C ATOM 546 CD ARG A 120 -9.361 -10.722 1.646 1.00 0.00 C ATOM 547 NE ARG A 120 -8.771 -10.689 0.307 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.469 -10.677 0.034 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.584 -10.795 1.002 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.063 -10.580 -1.225 1.00 0.00 N ATOM 0 H ARG A 120 -11.740 -7.661 -0.078 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.174 -7.900 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.715 -8.135 1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.668 -8.329 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.237 -10.237 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.230 -10.055 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.639 -10.343 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.576 -11.754 1.922 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.413 -10.674 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.895 -10.896 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.587 -10.785 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.748 -10.515 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.066 -10.570 -1.440 1.00 0.00 H new ATOM 564 N GLU A 121 -11.152 -5.229 1.476 1.00 0.00 N ATOM 565 CA GLU A 121 -10.688 -3.865 1.617 1.00 0.00 C ATOM 566 C GLU A 121 -9.146 -3.878 1.758 1.00 0.00 C ATOM 567 O GLU A 121 -8.540 -3.026 2.407 1.00 0.00 O ATOM 568 CB GLU A 121 -11.419 -3.185 2.806 1.00 0.00 C ATOM 569 CG GLU A 121 -11.255 -1.671 2.904 1.00 0.00 C ATOM 570 CD GLU A 121 -12.254 -1.046 3.843 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.032 -1.030 5.082 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.300 -0.562 3.359 1.00 0.00 O ATOM 0 H GLU A 121 -11.627 -5.404 0.590 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.925 -3.270 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.482 -3.413 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.060 -3.632 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.246 -1.439 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.367 -1.231 1.913 1.00 0.00 H new ATOM 579 N THR A 122 -8.519 -4.835 1.096 1.00 0.00 N ATOM 580 CA THR A 122 -7.093 -4.976 1.143 1.00 0.00 C ATOM 581 C THR A 122 -6.522 -4.917 -0.264 1.00 0.00 C ATOM 582 O THR A 122 -7.246 -5.083 -1.233 1.00 0.00 O ATOM 583 CB THR A 122 -6.649 -6.290 1.839 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.119 -7.434 1.113 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.187 -6.380 3.248 1.00 0.00 C ATOM 0 H THR A 122 -8.991 -5.528 0.516 1.00 0.00 H new ATOM 0 HA THR A 122 -6.705 -4.149 1.738 1.00 0.00 H new ATOM 0 HB THR A 122 -5.559 -6.278 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.606 -8.225 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.856 -7.313 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.817 -5.538 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.276 -6.354 3.224 1.00 0.00 H new ATOM 593 N CYS A 123 -5.268 -4.625 -0.368 1.00 0.00 N ATOM 594 CA CYS A 123 -4.596 -4.545 -1.622 1.00 0.00 C ATOM 595 C CYS A 123 -3.143 -4.938 -1.485 1.00 0.00 C ATOM 596 O CYS A 123 -2.557 -4.783 -0.429 1.00 0.00 O ATOM 597 CB CYS A 123 -4.723 -3.144 -2.161 1.00 0.00 C ATOM 598 SG CYS A 123 -4.294 -1.890 -0.953 1.00 0.00 S ATOM 0 H CYS A 123 -4.669 -4.431 0.434 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.058 -5.244 -2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.079 -3.036 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.747 -2.981 -2.498 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.151 -2.443 0.215 1.00 0.00 H new ATOM 604 N VAL A 124 -2.579 -5.430 -2.539 1.00 0.00 N ATOM 605 CA VAL A 124 -1.191 -5.787 -2.562 1.00 0.00 C ATOM 606 C VAL A 124 -0.435 -4.630 -3.158 1.00 0.00 C ATOM 607 O VAL A 124 -0.828 -4.106 -4.207 1.00 0.00 O ATOM 608 CB VAL A 124 -0.939 -7.069 -3.401 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.539 -7.444 -3.407 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.767 -8.216 -2.863 1.00 0.00 C ATOM 0 H VAL A 124 -3.069 -5.598 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.856 -5.999 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.238 -6.864 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.683 -8.345 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.120 -6.628 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.872 -7.627 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.582 -9.109 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.492 -8.408 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.825 -7.957 -2.916 1.00 0.00 H new ATOM 620 N VAL A 125 0.614 -4.226 -2.508 1.00 0.00 N ATOM 621 CA VAL A 125 1.399 -3.117 -2.960 1.00 0.00 C ATOM 622 C VAL A 125 2.808 -3.573 -3.234 1.00 0.00 C ATOM 623 O VAL A 125 3.323 -4.464 -2.559 1.00 0.00 O ATOM 624 CB VAL A 125 1.435 -1.972 -1.901 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.048 -1.405 -1.659 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.056 -2.450 -0.579 1.00 0.00 C ATOM 0 H VAL A 125 0.951 -4.657 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 125 0.939 -2.732 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 125 2.065 -1.179 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.105 -0.609 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.349 -1.004 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.609 -2.195 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.066 -1.628 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.466 -3.274 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.077 -2.788 -0.758 1.00 0.00 H new ATOM 636 N VAL A 126 3.402 -2.985 -4.226 1.00 0.00 N ATOM 637 CA VAL A 126 4.748 -3.273 -4.612 1.00 0.00 C ATOM 638 C VAL A 126 5.595 -2.086 -4.272 1.00 0.00 C ATOM 639 O VAL A 126 5.366 -0.992 -4.783 1.00 0.00 O ATOM 640 CB VAL A 126 4.874 -3.536 -6.125 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.318 -3.863 -6.497 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.957 -4.651 -6.547 1.00 0.00 C ATOM 0 H VAL A 126 2.953 -2.274 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 126 5.069 -4.171 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 126 4.580 -2.629 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.385 -4.045 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.961 -3.024 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.640 -4.753 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.061 -4.821 -7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.219 -5.561 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.926 -4.379 -6.321 1.00 0.00 H new ATOM 652 N TYR A 127 6.544 -2.295 -3.422 1.00 0.00 N ATOM 653 CA TYR A 127 7.423 -1.253 -2.979 1.00 0.00 C ATOM 654 C TYR A 127 8.377 -0.874 -4.065 1.00 0.00 C ATOM 655 O TYR A 127 9.199 -1.696 -4.521 1.00 0.00 O ATOM 656 CB TYR A 127 8.162 -1.665 -1.727 1.00 0.00 C ATOM 657 CG TYR A 127 7.235 -1.910 -0.576 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.784 -0.850 0.179 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.797 -3.193 -0.251 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.924 -1.038 1.217 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.941 -3.395 0.796 1.00 0.00 C ATOM 662 CZ TYR A 127 5.502 -2.301 1.533 1.00 0.00 C ATOM 663 OH TYR A 127 4.597 -2.454 2.556 1.00 0.00 O ATOM 0 H TYR A 127 6.738 -3.206 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 127 6.820 -0.378 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.736 -2.570 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.876 -0.887 -1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.119 0.149 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.138 -4.037 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.575 -0.192 1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.610 -4.392 1.047 1.00 0.00 H new ATOM 0 HH TYR A 127 4.724 -3.330 2.977 1.00 0.00 H new ATOM 673 N THR A 128 8.260 0.346 -4.479 1.00 0.00 N ATOM 674 CA THR A 128 9.036 0.885 -5.536 1.00 0.00 C ATOM 675 C THR A 128 10.514 0.902 -5.151 1.00 0.00 C ATOM 676 O THR A 128 10.878 1.318 -4.044 1.00 0.00 O ATOM 677 CB THR A 128 8.549 2.308 -5.834 1.00 0.00 C ATOM 678 OG1 THR A 128 7.136 2.264 -6.139 1.00 0.00 O ATOM 679 CG2 THR A 128 9.308 2.892 -7.001 1.00 0.00 C ATOM 0 H THR A 128 7.600 1.011 -4.075 1.00 0.00 H new ATOM 0 HA THR A 128 8.922 0.266 -6.426 1.00 0.00 H new ATOM 0 HB THR A 128 8.722 2.939 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.814 3.170 -6.330 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.950 3.902 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.371 2.924 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.151 2.272 -7.884 1.00 0.00 H new ATOM 687 N GLY A 129 11.344 0.415 -6.041 1.00 0.00 N ATOM 688 CA GLY A 129 12.752 0.373 -5.798 1.00 0.00 C ATOM 689 C GLY A 129 13.183 -0.943 -5.205 1.00 0.00 C ATOM 690 O GLY A 129 14.349 -1.318 -5.299 1.00 0.00 O ATOM 0 H GLY A 129 11.058 0.041 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.286 0.542 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.028 1.183 -5.122 1.00 0.00 H new ATOM 694 N TYR A 130 12.257 -1.644 -4.595 1.00 0.00 N ATOM 695 CA TYR A 130 12.569 -2.921 -3.968 1.00 0.00 C ATOM 696 C TYR A 130 11.975 -4.082 -4.728 1.00 0.00 C ATOM 697 O TYR A 130 12.596 -5.133 -4.848 1.00 0.00 O ATOM 698 CB TYR A 130 12.089 -2.953 -2.523 1.00 0.00 C ATOM 699 CG TYR A 130 12.662 -1.853 -1.689 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.944 -1.947 -1.192 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.929 -0.710 -1.409 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.485 -0.946 -0.434 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.465 0.307 -0.655 1.00 0.00 C ATOM 704 CZ TYR A 130 13.750 0.178 -0.168 1.00 0.00 C ATOM 705 OH TYR A 130 14.317 1.194 0.565 1.00 0.00 O ATOM 0 H TYR A 130 11.281 -1.358 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 130 13.654 -3.023 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 130 11.001 -2.884 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.355 -3.913 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.532 -2.827 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.922 -0.617 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.489 -1.042 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.888 1.196 -0.446 1.00 0.00 H new ATOM 0 HH TYR A 130 13.670 1.923 0.668 1.00 0.00 H new ATOM 715 N GLY A 131 10.764 -3.911 -5.207 1.00 0.00 N ATOM 716 CA GLY A 131 10.115 -4.969 -5.943 1.00 0.00 C ATOM 717 C GLY A 131 9.316 -5.879 -5.042 1.00 0.00 C ATOM 718 O GLY A 131 8.684 -6.823 -5.504 1.00 0.00 O ATOM 0 H GLY A 131 10.214 -3.058 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.457 -4.535 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.866 -5.554 -6.475 1.00 0.00 H new ATOM 722 N ASN A 132 9.334 -5.589 -3.760 1.00 0.00 N ATOM 723 CA ASN A 132 8.588 -6.381 -2.786 1.00 0.00 C ATOM 724 C ASN A 132 7.142 -6.091 -2.893 1.00 0.00 C ATOM 725 O ASN A 132 6.757 -4.980 -3.202 1.00 0.00 O ATOM 726 CB ASN A 132 8.988 -6.076 -1.361 1.00 0.00 C ATOM 727 CG ASN A 132 10.251 -6.724 -0.876 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.183 -7.003 -1.631 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.305 -6.925 0.403 1.00 0.00 N ATOM 0 H ASN A 132 9.856 -4.810 -3.359 1.00 0.00 H new ATOM 0 HA ASN A 132 8.812 -7.423 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.095 -4.996 -1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.173 -6.379 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.143 -7.329 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.509 -6.679 0.992 1.00 0.00 H new ATOM 736 N ARG A 133 6.351 -7.051 -2.601 1.00 0.00 N ATOM 737 CA ARG A 133 4.943 -6.891 -2.634 1.00 0.00 C ATOM 738 C ARG A 133 4.327 -7.520 -1.419 1.00 0.00 C ATOM 739 O ARG A 133 4.740 -8.606 -1.007 1.00 0.00 O ATOM 740 CB ARG A 133 4.354 -7.406 -3.971 1.00 0.00 C ATOM 741 CG ARG A 133 4.687 -8.843 -4.367 1.00 0.00 C ATOM 742 CD ARG A 133 3.812 -9.883 -3.688 1.00 0.00 C ATOM 743 NE ARG A 133 4.148 -11.230 -4.148 1.00 0.00 N ATOM 744 CZ ARG A 133 3.656 -12.364 -3.653 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.845 -12.344 -2.603 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.988 -13.522 -4.207 1.00 0.00 N ATOM 0 H ARG A 133 6.663 -7.983 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 133 4.694 -5.830 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.269 -7.311 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.697 -6.747 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.585 -8.945 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.730 -9.045 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.939 -9.821 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.763 -9.674 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 133 4.817 -11.307 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.594 -11.456 -2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.472 -13.217 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.618 -13.542 -5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.614 -14.393 -3.831 1.00 0.00 H new ATOM 760 N GLU A 134 3.399 -6.828 -0.817 1.00 0.00 N ATOM 761 CA GLU A 134 2.728 -7.327 0.348 1.00 0.00 C ATOM 762 C GLU A 134 1.356 -6.723 0.421 1.00 0.00 C ATOM 763 O GLU A 134 1.099 -5.687 -0.209 1.00 0.00 O ATOM 764 CB GLU A 134 3.507 -7.084 1.632 1.00 0.00 C ATOM 765 CG GLU A 134 3.289 -5.754 2.290 1.00 0.00 C ATOM 766 CD GLU A 134 4.031 -5.675 3.587 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.876 -6.587 4.410 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.814 -4.752 3.798 1.00 0.00 O ATOM 0 H GLU A 134 3.088 -5.905 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 134 2.650 -8.410 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.248 -7.867 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.570 -7.190 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.622 -4.956 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.224 -5.600 2.465 1.00 0.00 H new ATOM 775 N GLU A 135 0.484 -7.363 1.121 1.00 0.00 N ATOM 776 CA GLU A 135 -0.868 -6.945 1.180 1.00 0.00 C ATOM 777 C GLU A 135 -1.105 -6.039 2.380 1.00 0.00 C ATOM 778 O GLU A 135 -0.750 -6.371 3.514 1.00 0.00 O ATOM 779 CB GLU A 135 -1.745 -8.138 1.290 1.00 0.00 C ATOM 780 CG GLU A 135 -3.179 -7.843 0.988 1.00 0.00 C ATOM 781 CD GLU A 135 -4.065 -8.999 1.285 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.047 -10.003 0.548 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.776 -8.950 2.301 1.00 0.00 O ATOM 0 H GLU A 135 0.693 -8.196 1.671 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.098 -6.388 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.387 -8.908 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.669 -8.546 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.502 -6.981 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.279 -7.572 -0.063 1.00 0.00 H new ATOM 790 N GLN A 136 -1.762 -4.961 2.117 1.00 0.00 N ATOM 791 CA GLN A 136 -2.077 -3.922 3.077 1.00 0.00 C ATOM 792 C GLN A 136 -3.525 -3.574 2.902 1.00 0.00 C ATOM 793 O GLN A 136 -4.107 -3.919 1.895 1.00 0.00 O ATOM 794 CB GLN A 136 -1.228 -2.644 2.869 1.00 0.00 C ATOM 795 CG GLN A 136 -0.174 -2.399 3.947 1.00 0.00 C ATOM 796 CD GLN A 136 0.972 -3.331 3.882 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.910 -4.429 4.416 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.064 -2.851 3.482 1.00 0.00 N ATOM 0 H GLN A 136 -2.118 -4.757 1.183 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.858 -4.295 4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.731 -2.707 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.895 -1.783 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.195 -1.377 3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.644 -2.483 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.086 -1.932 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.928 -3.381 3.600 1.00 0.00 H new ATOM 807 N ASN A 137 -4.108 -2.914 3.847 1.00 0.00 N ATOM 808 CA ASN A 137 -5.511 -2.531 3.722 1.00 0.00 C ATOM 809 C ASN A 137 -5.599 -1.252 2.928 1.00 0.00 C ATOM 810 O ASN A 137 -4.675 -0.454 2.965 1.00 0.00 O ATOM 811 CB ASN A 137 -6.196 -2.311 5.084 1.00 0.00 C ATOM 812 CG ASN A 137 -6.140 -3.502 6.013 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.998 -4.373 5.977 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.147 -3.542 6.866 1.00 0.00 N ATOM 0 H ASN A 137 -3.656 -2.622 4.714 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.027 -3.351 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.729 -1.459 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.240 -2.048 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.073 -4.316 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.448 -2.799 6.870 1.00 0.00 H new ATOM 821 N LEU A 138 -6.699 -1.054 2.230 1.00 0.00 N ATOM 822 CA LEU A 138 -6.948 0.187 1.468 1.00 0.00 C ATOM 823 C LEU A 138 -6.995 1.351 2.428 1.00 0.00 C ATOM 824 O LEU A 138 -6.533 2.457 2.139 1.00 0.00 O ATOM 825 CB LEU A 138 -8.288 0.091 0.729 1.00 0.00 C ATOM 826 CG LEU A 138 -8.415 -1.008 -0.319 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.853 -1.137 -0.752 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.557 -0.697 -1.522 1.00 0.00 C ATOM 0 H LEU A 138 -7.453 -1.737 2.165 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.149 0.330 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.075 -0.052 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.478 1.048 0.243 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.078 -1.946 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.938 -1.924 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.471 -1.388 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.191 -0.192 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.661 -1.493 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.876 0.248 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.514 -0.621 -1.215 1.00 0.00 H new ATOM 840 N SER A 139 -7.544 1.068 3.570 1.00 0.00 N ATOM 841 CA SER A 139 -7.692 1.967 4.643 1.00 0.00 C ATOM 842 C SER A 139 -6.326 2.332 5.236 1.00 0.00 C ATOM 843 O SER A 139 -6.090 3.454 5.691 1.00 0.00 O ATOM 844 CB SER A 139 -8.470 1.200 5.647 1.00 0.00 C ATOM 845 OG SER A 139 -9.303 0.249 4.976 1.00 0.00 O ATOM 0 H SER A 139 -7.919 0.142 3.777 1.00 0.00 H new ATOM 0 HA SER A 139 -8.170 2.898 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.795 0.689 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.080 1.877 6.245 1.00 0.00 H new ATOM 0 HG SER A 139 -10.159 0.173 5.448 1.00 0.00 H new ATOM 851 N ASP A 140 -5.446 1.369 5.191 1.00 0.00 N ATOM 852 CA ASP A 140 -4.111 1.449 5.760 1.00 0.00 C ATOM 853 C ASP A 140 -3.120 2.105 4.820 1.00 0.00 C ATOM 854 O ASP A 140 -2.034 2.485 5.239 1.00 0.00 O ATOM 855 CB ASP A 140 -3.629 0.049 6.161 1.00 0.00 C ATOM 856 CG ASP A 140 -4.146 -0.415 7.508 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.370 -0.594 7.676 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.335 -0.610 8.432 1.00 0.00 O ATOM 0 H ASP A 140 -5.637 0.472 4.744 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.170 2.081 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.940 -0.664 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.539 0.042 6.179 1.00 0.00 H new ATOM 863 N LEU A 141 -3.481 2.215 3.562 1.00 0.00 N ATOM 864 CA LEU A 141 -2.634 2.873 2.560 1.00 0.00 C ATOM 865 C LEU A 141 -2.463 4.347 2.848 1.00 0.00 C ATOM 866 O LEU A 141 -3.376 5.010 3.361 1.00 0.00 O ATOM 867 CB LEU A 141 -3.197 2.722 1.158 1.00 0.00 C ATOM 868 CG LEU A 141 -3.274 1.323 0.589 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.735 1.384 -0.843 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.934 0.633 0.685 1.00 0.00 C ATOM 0 H LEU A 141 -4.362 1.857 3.193 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.665 2.377 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.202 3.145 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.591 3.327 0.484 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.992 0.745 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.790 0.375 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.720 1.848 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.029 1.974 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.012 -0.372 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.191 1.201 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.630 0.572 1.730 1.00 0.00 H new ATOM 882 N LEU A 142 -1.315 4.865 2.511 1.00 0.00 N ATOM 883 CA LEU A 142 -1.024 6.250 2.722 1.00 0.00 C ATOM 884 C LEU A 142 -0.771 6.938 1.406 1.00 0.00 C ATOM 885 O LEU A 142 -0.473 6.277 0.400 1.00 0.00 O ATOM 886 CB LEU A 142 0.165 6.447 3.667 1.00 0.00 C ATOM 887 CG LEU A 142 0.004 5.896 5.079 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.428 4.433 5.172 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.711 6.769 6.093 1.00 0.00 C ATOM 0 H LEU A 142 -0.556 4.336 2.082 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.896 6.700 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.041 5.981 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.372 7.515 3.738 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.058 5.921 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.297 4.081 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.186 3.833 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.476 4.339 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.578 6.350 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.774 6.813 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.291 7.774 6.063 1.00 0.00 H new ATOM 901 N SER A 143 -0.874 8.245 1.419 1.00 0.00 N ATOM 902 CA SER A 143 -0.697 9.067 0.294 1.00 0.00 C ATOM 903 C SER A 143 0.740 8.943 -0.246 1.00 0.00 C ATOM 904 O SER A 143 1.704 8.903 0.540 1.00 0.00 O ATOM 905 CB SER A 143 -0.949 10.458 0.782 1.00 0.00 C ATOM 906 OG SER A 143 -2.125 10.481 1.589 1.00 0.00 O ATOM 0 H SER A 143 -1.095 8.769 2.266 1.00 0.00 H new ATOM 0 HA SER A 143 -1.366 8.790 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.094 10.811 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.064 11.135 -0.064 1.00 0.00 H new ATOM 0 HG SER A 143 -2.285 11.394 1.908 1.00 0.00 H new ATOM 912 N PRO A 144 0.894 8.854 -1.574 1.00 0.00 N ATOM 913 CA PRO A 144 2.205 8.701 -2.225 1.00 0.00 C ATOM 914 C PRO A 144 3.060 9.961 -2.141 1.00 0.00 C ATOM 915 O PRO A 144 2.612 11.026 -1.661 1.00 0.00 O ATOM 916 CB PRO A 144 1.839 8.456 -3.689 1.00 0.00 C ATOM 917 CG PRO A 144 0.522 9.121 -3.856 1.00 0.00 C ATOM 918 CD PRO A 144 -0.202 8.888 -2.568 1.00 0.00 C ATOM 0 HA PRO A 144 2.789 7.911 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.586 8.878 -4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.777 7.390 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.641 10.186 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.027 8.700 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.915 9.684 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.763 7.953 -2.583 1.00 0.00 H new ATOM 926 N ILE A 145 4.256 9.845 -2.627 1.00 0.00 N ATOM 927 CA ILE A 145 5.192 10.936 -2.682 1.00 0.00 C ATOM 928 C ILE A 145 5.529 11.224 -4.133 1.00 0.00 C ATOM 929 O ILE A 145 4.946 10.602 -5.044 1.00 0.00 O ATOM 930 CB ILE A 145 6.477 10.626 -1.871 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.095 9.284 -2.314 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.173 10.634 -0.374 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.352 8.907 -1.568 1.00 0.00 C ATOM 0 H ILE A 145 4.622 8.972 -3.006 1.00 0.00 H new ATOM 0 HA ILE A 145 4.734 11.816 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 145 7.212 11.406 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.356 8.494 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.319 9.334 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.084 10.415 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.797 11.615 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 145 5.421 9.877 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.723 7.951 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.110 9.675 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.132 8.822 -0.504 1.00 0.00 H new ATOM 945 N CYS A 146 6.424 12.152 -4.364 1.00 0.00 N ATOM 946 CA CYS A 146 6.794 12.503 -5.707 1.00 0.00 C ATOM 947 C CYS A 146 7.680 11.430 -6.310 1.00 0.00 C ATOM 948 O CYS A 146 8.628 10.959 -5.659 1.00 0.00 O ATOM 949 CB CYS A 146 7.481 13.870 -5.742 1.00 0.00 C ATOM 950 SG CYS A 146 8.948 14.007 -4.688 1.00 0.00 S ATOM 0 H CYS A 146 6.909 12.677 -3.636 1.00 0.00 H new ATOM 0 HA CYS A 146 5.887 12.571 -6.308 1.00 0.00 H new ATOM 0 HB2 CYS A 146 7.767 14.091 -6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.761 14.631 -5.440 1.00 0.00 H new ATOM 0 HG CYS A 146 9.526 12.846 -4.595 1.00 0.00 H new ATOM 956 N GLU A 147 7.348 11.057 -7.535 1.00 0.00 N ATOM 957 CA GLU A 147 8.043 10.043 -8.308 1.00 0.00 C ATOM 958 C GLU A 147 8.014 8.703 -7.592 1.00 0.00 C ATOM 959 O GLU A 147 6.959 8.030 -7.640 1.00 0.00 O ATOM 960 CB GLU A 147 9.474 10.476 -8.624 1.00 0.00 C ATOM 961 CG GLU A 147 9.563 11.775 -9.385 1.00 0.00 C ATOM 962 CD GLU A 147 10.975 12.185 -9.633 1.00 0.00 C ATOM 963 OE1 GLU A 147 11.573 11.736 -10.636 1.00 0.00 O ATOM 964 OE2 GLU A 147 11.527 12.948 -8.826 1.00 0.00 O ATOM 965 OXT GLU A 147 9.029 8.295 -6.999 1.00 0.00 O ATOM 0 H GLU A 147 6.559 11.467 -8.035 1.00 0.00 H new ATOM 0 HA GLU A 147 7.520 9.924 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.029 10.574 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 147 9.961 9.692 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.043 11.673 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 147 9.052 12.558 -8.825 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.696 -1.455 1.833 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.060 -3.598 0.641 1.00 0.00 C HETATM 975 N DA2 A1148 14.268 -7.900 -0.900 1.00 0.00 N HETATM 976 CA DA2 A1148 14.462 -7.353 0.428 1.00 0.00 C HETATM 977 CB DA2 A1148 14.041 -5.885 0.464 1.00 0.00 C HETATM 978 CG DA2 A1148 14.318 -5.202 1.789 1.00 0.00 C HETATM 979 CD DA2 A1148 13.971 -3.734 1.747 1.00 0.00 C HETATM 980 NE DA2 A1148 12.574 -3.534 1.440 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.822 -2.528 1.828 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.289 -1.558 2.577 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.579 -2.519 1.449 1.00 0.00 N HETATM 984 C DA2 A1148 13.659 -8.174 1.396 1.00 0.00 C HETATM 985 O DA2 A1148 14.232 -8.754 2.317 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.455 -8.321 1.175 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.147 -1.789 3.560 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.742 -5.689 2.576 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.371 -5.319 2.045 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.204 -3.275 2.708 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.585 -3.234 0.998 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.563 -5.347 -0.328 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 12.975 -5.817 0.246 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.248 -4.094 1.174 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.685 -3.199 -0.301 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.854 -4.317 0.440 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.306 -0.966 0.940 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.869 -1.861 2.416 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.242 -0.729 2.435 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.125 -4.246 0.863 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.503 -8.874 -1.090 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.896 -7.311 -1.645 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.515 -7.394 0.705 1.00 0.00 H new