USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 65 LYS NZ :NH3+ -162:sc= 0.128 (180deg=0.0752) USER MOD Set 1.2: A 71 MET CE :methyl 161:sc= -1.81 (180deg=-2.27) USER MOD Set 1.3: A 75 GLN : amide:sc= -0.419 X(o=-2.1,f=-2.1) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.765 X(o=-0.28,f=0.12) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0.586 USER MOD Set 2.3: A 45 LYS NZ :NH3+ -140:sc= 0.65 (180deg=0) USER MOD Set 2.4: A 49 ASN : amide:sc= -0.75 X(o=-0.28,f=-0.61!) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -123:sc= -0.387 (180deg=-0.726) USER MOD Set 3.2: A 77 GLN : amide:sc= -0.553 K(o=-0.94,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 130:sc= 0 USER MOD Single : A 26 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.406 (180deg=0.0433) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= -0.0713 (180deg=-0.378) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.45 K(o=-3.4,f=-2) USER MOD Single : A 58 SER OG : rot 63:sc= -0.188 USER MOD Single : A 63 MET CE :methyl 165:sc= -3.85! (180deg=-4.02!) USER MOD Single : A 67 LYS NZ :NH3+ -119:sc= -0.367 (180deg=-1.88) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 89:sc= -1.6 USER MOD Single : A 70 MET CE :methyl 161:sc= -0.0253 (180deg=-0.217) USER MOD Single : A 72 THR OG1 : rot 180:sc=0.000686 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 84:sc= 0.0718 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -55:sc= 0.934 USER MOD Single : A 95 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0359) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= 1.02 (180deg=-0.393) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.0048 X(o=0.0048,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -2.515 -26.979 0.654 1.00 0.00 N ATOM 2 CA GLN A 16 -2.756 -25.588 0.288 1.00 0.00 C ATOM 3 C GLN A 16 -3.698 -24.919 1.285 1.00 0.00 C ATOM 4 O GLN A 16 -4.700 -24.315 0.901 1.00 0.00 O ATOM 5 CB GLN A 16 -3.341 -25.502 -1.123 1.00 0.00 C ATOM 6 CG GLN A 16 -4.486 -26.470 -1.367 1.00 0.00 C ATOM 7 CD GLN A 16 -5.105 -26.306 -2.742 1.00 0.00 C ATOM 8 OE1 GLN A 16 -6.154 -25.679 -2.893 1.00 0.00 O ATOM 9 NE2 GLN A 16 -4.457 -26.871 -3.754 1.00 0.00 N ATOM 0 HA GLN A 16 -1.801 -25.063 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.692 -24.485 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.550 -25.697 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.123 -27.492 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.253 -26.319 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.591 -27.381 -3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.826 -26.794 -4.702 1.00 0.00 H new ATOM 18 N GLY A 17 -3.370 -25.034 2.569 1.00 0.00 N ATOM 19 CA GLY A 17 -4.196 -24.438 3.602 1.00 0.00 C ATOM 20 C GLY A 17 -4.401 -22.946 3.398 1.00 0.00 C ATOM 21 O GLY A 17 -3.470 -22.162 3.582 1.00 0.00 O ATOM 0 H GLY A 17 -2.547 -25.529 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.166 -24.935 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.734 -24.608 4.575 1.00 0.00 H new ATOM 25 N PRO A 18 -5.618 -22.519 3.017 1.00 0.00 N ATOM 26 CA PRO A 18 -5.919 -21.100 2.792 1.00 0.00 C ATOM 27 C PRO A 18 -5.936 -20.301 4.091 1.00 0.00 C ATOM 28 O PRO A 18 -7.001 -19.973 4.618 1.00 0.00 O ATOM 29 CB PRO A 18 -7.314 -21.126 2.163 1.00 0.00 C ATOM 30 CG PRO A 18 -7.925 -22.393 2.650 1.00 0.00 C ATOM 31 CD PRO A 18 -6.794 -23.377 2.774 1.00 0.00 C ATOM 0 HA PRO A 18 -5.166 -20.618 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.902 -20.260 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.258 -21.106 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.420 -22.244 3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.682 -22.754 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.958 -24.076 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.677 -23.971 1.868 1.00 0.00 H new ATOM 39 N GLY A 19 -4.750 -19.991 4.606 1.00 0.00 N ATOM 40 CA GLY A 19 -4.650 -19.230 5.838 1.00 0.00 C ATOM 41 C GLY A 19 -3.810 -17.975 5.691 1.00 0.00 C ATOM 42 O GLY A 19 -3.514 -17.302 6.678 1.00 0.00 O ATOM 0 H GLY A 19 -3.856 -20.254 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.651 -18.954 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.218 -19.861 6.615 1.00 0.00 H new ATOM 46 N SER A 20 -3.423 -17.657 4.459 1.00 0.00 N ATOM 47 CA SER A 20 -2.612 -16.474 4.194 1.00 0.00 C ATOM 48 C SER A 20 -3.403 -15.433 3.408 1.00 0.00 C ATOM 49 O SER A 20 -3.153 -14.234 3.524 1.00 0.00 O ATOM 50 CB SER A 20 -1.347 -16.860 3.425 1.00 0.00 C ATOM 51 OG SER A 20 -0.261 -17.083 4.306 1.00 0.00 O ATOM 0 H SER A 20 -3.658 -18.202 3.629 1.00 0.00 H new ATOM 0 HA SER A 20 -2.328 -16.038 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.534 -17.760 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.091 -16.069 2.720 1.00 0.00 H new ATOM 0 HG SER A 20 0.160 -17.943 4.096 1.00 0.00 H new ATOM 57 N LEU A 21 -4.359 -15.898 2.607 1.00 0.00 N ATOM 58 CA LEU A 21 -5.186 -15.007 1.801 1.00 0.00 C ATOM 59 C LEU A 21 -5.839 -13.933 2.666 1.00 0.00 C ATOM 60 O LEU A 21 -6.049 -12.806 2.221 1.00 0.00 O ATOM 61 CB LEU A 21 -6.259 -15.805 1.059 1.00 0.00 C ATOM 62 CG LEU A 21 -5.772 -16.544 -0.189 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.512 -17.862 -0.355 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.945 -15.675 -1.425 1.00 0.00 C ATOM 0 H LEU A 21 -4.579 -16.888 2.500 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.541 -14.515 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.690 -16.532 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.060 -15.125 0.770 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.711 -16.761 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.151 -18.372 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.336 -18.491 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.580 -17.670 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.593 -16.217 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.999 -15.426 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.367 -14.758 -1.309 1.00 0.00 H new ATOM 76 N VAL A 22 -6.156 -14.291 3.906 1.00 0.00 N ATOM 77 CA VAL A 22 -6.784 -13.358 4.834 1.00 0.00 C ATOM 78 C VAL A 22 -5.820 -12.238 5.219 1.00 0.00 C ATOM 79 O VAL A 22 -6.194 -11.065 5.237 1.00 0.00 O ATOM 80 CB VAL A 22 -7.268 -14.074 6.111 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.096 -14.698 6.854 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.027 -13.109 7.010 1.00 0.00 C ATOM 0 H VAL A 22 -5.988 -15.220 4.291 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.646 -12.931 4.322 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.948 -14.874 5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.459 -15.198 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.601 -15.424 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.387 -13.919 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.361 -13.632 7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.373 -12.285 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.892 -12.718 6.475 1.00 0.00 H new ATOM 92 N LYS A 23 -4.581 -12.608 5.527 1.00 0.00 N ATOM 93 CA LYS A 23 -3.566 -11.633 5.911 1.00 0.00 C ATOM 94 C LYS A 23 -3.271 -10.675 4.765 1.00 0.00 C ATOM 95 O LYS A 23 -3.332 -9.455 4.927 1.00 0.00 O ATOM 96 CB LYS A 23 -2.282 -12.345 6.342 1.00 0.00 C ATOM 97 CG LYS A 23 -1.366 -11.485 7.196 1.00 0.00 C ATOM 98 CD LYS A 23 -1.821 -11.459 8.646 1.00 0.00 C ATOM 99 CE LYS A 23 -1.301 -12.663 9.415 1.00 0.00 C ATOM 100 NZ LYS A 23 0.186 -12.686 9.467 1.00 0.00 N ATOM 0 H LYS A 23 -4.256 -13.575 5.518 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.952 -11.056 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.545 -13.245 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.739 -12.667 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.347 -11.869 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.346 -10.469 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.471 -10.543 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.910 -11.443 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.700 -12.646 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.662 -13.578 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.534 -13.581 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.565 -11.889 8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.500 -12.604 10.455 1.00 0.00 H new ATOM 114 N VAL A 24 -2.958 -11.234 3.603 1.00 0.00 N ATOM 115 CA VAL A 24 -2.659 -10.429 2.425 1.00 0.00 C ATOM 116 C VAL A 24 -3.822 -9.496 2.104 1.00 0.00 C ATOM 117 O VAL A 24 -3.631 -8.300 1.875 1.00 0.00 O ATOM 118 CB VAL A 24 -2.361 -11.311 1.200 1.00 0.00 C ATOM 119 CG1 VAL A 24 -1.882 -10.462 0.032 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.332 -12.376 1.546 1.00 0.00 C ATOM 0 H VAL A 24 -2.905 -12.241 3.451 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.771 -9.840 2.653 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.284 -11.810 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.677 -11.104 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.654 -9.739 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.972 -9.933 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.134 -12.990 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.408 -11.897 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.716 -13.005 2.349 1.00 0.00 H new ATOM 130 N GLY A 25 -5.034 -10.046 2.110 1.00 0.00 N ATOM 131 CA GLY A 25 -6.209 -9.241 1.839 1.00 0.00 C ATOM 132 C GLY A 25 -6.339 -8.102 2.828 1.00 0.00 C ATOM 133 O GLY A 25 -6.683 -6.977 2.457 1.00 0.00 O ATOM 0 H GLY A 25 -5.221 -11.031 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.152 -8.841 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.100 -9.868 1.885 1.00 0.00 H new ATOM 137 N THR A 26 -6.042 -8.393 4.091 1.00 0.00 N ATOM 138 CA THR A 26 -6.103 -7.388 5.143 1.00 0.00 C ATOM 139 C THR A 26 -5.198 -6.215 4.793 1.00 0.00 C ATOM 140 O THR A 26 -5.545 -5.054 5.020 1.00 0.00 O ATOM 141 CB THR A 26 -5.689 -7.994 6.484 1.00 0.00 C ATOM 142 OG1 THR A 26 -6.474 -9.134 6.784 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.820 -7.031 7.643 1.00 0.00 C ATOM 0 H THR A 26 -5.756 -9.319 4.410 1.00 0.00 H new ATOM 0 HA THR A 26 -7.129 -7.031 5.228 1.00 0.00 H new ATOM 0 HB THR A 26 -4.638 -8.257 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.027 -9.937 6.444 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.510 -7.525 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.187 -6.162 7.467 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.858 -6.711 7.735 1.00 0.00 H new ATOM 151 N LEU A 27 -4.038 -6.527 4.221 1.00 0.00 N ATOM 152 CA LEU A 27 -3.089 -5.499 3.819 1.00 0.00 C ATOM 153 C LEU A 27 -3.708 -4.614 2.749 1.00 0.00 C ATOM 154 O LEU A 27 -3.610 -3.388 2.812 1.00 0.00 O ATOM 155 CB LEU A 27 -1.795 -6.131 3.301 1.00 0.00 C ATOM 156 CG LEU A 27 -0.599 -5.183 3.219 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.115 -4.816 4.614 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.526 -5.813 2.411 1.00 0.00 C ATOM 0 H LEU A 27 -3.735 -7.482 4.027 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.846 -4.889 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.532 -6.967 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.981 -6.543 2.309 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.915 -4.271 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.737 -4.140 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.920 -4.325 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.185 -5.720 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.369 -5.124 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.842 -6.740 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.174 -6.026 1.402 1.00 0.00 H new ATOM 170 N LYS A 28 -4.372 -5.237 1.779 1.00 0.00 N ATOM 171 CA LYS A 28 -5.032 -4.487 0.719 1.00 0.00 C ATOM 172 C LYS A 28 -5.949 -3.444 1.345 1.00 0.00 C ATOM 173 O LYS A 28 -6.027 -2.302 0.887 1.00 0.00 O ATOM 174 CB LYS A 28 -5.835 -5.424 -0.188 1.00 0.00 C ATOM 175 CG LYS A 28 -5.551 -5.227 -1.668 1.00 0.00 C ATOM 176 CD LYS A 28 -6.338 -4.057 -2.234 1.00 0.00 C ATOM 177 CE LYS A 28 -5.556 -3.331 -3.317 1.00 0.00 C ATOM 178 NZ LYS A 28 -5.717 -3.979 -4.648 1.00 0.00 N ATOM 0 H LYS A 28 -4.466 -6.250 1.706 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.278 -3.992 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.613 -6.456 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.899 -5.269 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.485 -5.055 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.806 -6.136 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.282 -4.416 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.584 -3.361 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.891 -2.296 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.500 -3.309 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.406 -3.324 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.141 -4.844 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.717 -4.222 -4.797 1.00 0.00 H new ATOM 192 N LYS A 29 -6.615 -3.846 2.423 1.00 0.00 N ATOM 193 CA LYS A 29 -7.501 -2.952 3.148 1.00 0.00 C ATOM 194 C LYS A 29 -6.692 -1.817 3.759 1.00 0.00 C ATOM 195 O LYS A 29 -7.145 -0.672 3.810 1.00 0.00 O ATOM 196 CB LYS A 29 -8.257 -3.711 4.240 1.00 0.00 C ATOM 197 CG LYS A 29 -9.626 -4.204 3.801 1.00 0.00 C ATOM 198 CD LYS A 29 -9.530 -5.522 3.047 1.00 0.00 C ATOM 199 CE LYS A 29 -10.423 -5.527 1.818 1.00 0.00 C ATOM 200 NZ LYS A 29 -9.985 -4.526 0.807 1.00 0.00 N ATOM 0 H LYS A 29 -6.555 -4.787 2.812 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.232 -2.539 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.658 -4.564 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.375 -3.062 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.266 -4.329 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.097 -3.454 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.497 -5.697 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.814 -6.342 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.418 -6.521 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.450 -5.316 2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.293 -4.830 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.407 -3.602 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.948 -4.446 0.824 1.00 0.00 H new ATOM 214 N ARG A 30 -5.477 -2.138 4.208 1.00 0.00 N ATOM 215 CA ARG A 30 -4.597 -1.137 4.795 1.00 0.00 C ATOM 216 C ARG A 30 -4.195 -0.116 3.737 1.00 0.00 C ATOM 217 O ARG A 30 -4.024 1.067 4.028 1.00 0.00 O ATOM 218 CB ARG A 30 -3.353 -1.799 5.393 1.00 0.00 C ATOM 219 CG ARG A 30 -3.466 -2.063 6.887 1.00 0.00 C ATOM 220 CD ARG A 30 -2.760 -3.351 7.282 1.00 0.00 C ATOM 221 NE ARG A 30 -3.592 -4.186 8.145 1.00 0.00 N ATOM 222 CZ ARG A 30 -3.927 -3.860 9.391 1.00 0.00 C ATOM 223 NH1 ARG A 30 -3.504 -2.719 9.923 1.00 0.00 N ATOM 224 NH2 ARG A 30 -4.686 -4.677 10.109 1.00 0.00 N ATOM 0 H ARG A 30 -5.085 -3.079 4.175 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.132 -0.627 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.170 -2.742 4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.488 -1.162 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.035 -1.227 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.517 -2.123 7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.494 -3.909 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.829 -3.112 7.796 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.936 -5.070 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.919 -2.087 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.764 -2.474 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.013 -5.555 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.943 -4.427 11.064 1.00 0.00 H new ATOM 238 N LEU A 31 -4.061 -0.584 2.500 1.00 0.00 N ATOM 239 CA LEU A 31 -3.698 0.288 1.392 1.00 0.00 C ATOM 240 C LEU A 31 -4.803 1.308 1.150 1.00 0.00 C ATOM 241 O LEU A 31 -4.538 2.488 0.920 1.00 0.00 O ATOM 242 CB LEU A 31 -3.452 -0.536 0.124 1.00 0.00 C ATOM 243 CG LEU A 31 -1.981 -0.737 -0.243 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.418 -1.966 0.452 1.00 0.00 C ATOM 245 CD2 LEU A 31 -1.820 -0.855 -1.753 1.00 0.00 C ATOM 0 H LEU A 31 -4.198 -1.561 2.241 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.779 0.815 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.916 -1.514 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.956 -0.049 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.420 0.134 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.371 -2.091 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.498 -1.842 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.981 -2.847 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.767 -0.998 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.395 -1.708 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.183 0.056 -2.230 1.00 0.00 H new ATOM 257 N ASP A 32 -6.047 0.841 1.214 1.00 0.00 N ATOM 258 CA ASP A 32 -7.201 1.710 1.011 1.00 0.00 C ATOM 259 C ASP A 32 -7.241 2.814 2.064 1.00 0.00 C ATOM 260 O ASP A 32 -7.393 3.992 1.735 1.00 0.00 O ATOM 261 CB ASP A 32 -8.494 0.892 1.063 1.00 0.00 C ATOM 262 CG ASP A 32 -9.535 1.393 0.082 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.349 1.190 -1.136 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.537 1.990 0.532 1.00 0.00 O ATOM 0 H ASP A 32 -6.281 -0.133 1.405 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.110 2.173 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.269 -0.152 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.903 0.928 2.073 1.00 0.00 H new ATOM 269 N LYS A 33 -7.103 2.429 3.330 1.00 0.00 N ATOM 270 CA LYS A 33 -7.125 3.392 4.426 1.00 0.00 C ATOM 271 C LYS A 33 -6.035 4.445 4.245 1.00 0.00 C ATOM 272 O LYS A 33 -6.229 5.615 4.576 1.00 0.00 O ATOM 273 CB LYS A 33 -6.982 2.678 5.775 1.00 0.00 C ATOM 274 CG LYS A 33 -5.547 2.499 6.233 1.00 0.00 C ATOM 275 CD LYS A 33 -5.111 3.629 7.150 1.00 0.00 C ATOM 276 CE LYS A 33 -5.939 3.667 8.425 1.00 0.00 C ATOM 277 NZ LYS A 33 -5.098 3.480 9.639 1.00 0.00 N ATOM 0 H LYS A 33 -6.975 1.460 3.621 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.088 3.902 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.526 3.243 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.455 1.698 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.446 1.547 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.889 2.459 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.058 3.507 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.205 4.580 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.463 4.621 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.700 2.888 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.700 3.512 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.618 2.559 9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.388 4.238 9.690 1.00 0.00 H new ATOM 291 N PHE A 34 -4.891 4.026 3.714 1.00 0.00 N ATOM 292 CA PHE A 34 -3.780 4.941 3.484 1.00 0.00 C ATOM 293 C PHE A 34 -4.153 5.975 2.430 1.00 0.00 C ATOM 294 O PHE A 34 -3.820 7.153 2.555 1.00 0.00 O ATOM 295 CB PHE A 34 -2.532 4.170 3.049 1.00 0.00 C ATOM 296 CG PHE A 34 -1.903 3.368 4.153 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.767 3.901 5.425 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.449 2.080 3.919 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.189 3.165 6.442 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.872 1.339 4.932 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.741 1.882 6.195 1.00 0.00 C ATOM 0 H PHE A 34 -4.710 3.062 3.436 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.561 5.458 4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.796 3.500 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.797 4.875 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.117 4.903 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.547 1.650 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.088 3.593 7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.524 0.336 4.736 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.289 1.305 6.988 1.00 0.00 H new ATOM 311 N ASN A 35 -4.858 5.527 1.395 1.00 0.00 N ATOM 312 CA ASN A 35 -5.287 6.414 0.322 1.00 0.00 C ATOM 313 C ASN A 35 -6.204 7.503 0.868 1.00 0.00 C ATOM 314 O ASN A 35 -6.107 8.664 0.476 1.00 0.00 O ATOM 315 CB ASN A 35 -6.006 5.620 -0.771 1.00 0.00 C ATOM 316 CG ASN A 35 -5.094 5.278 -1.932 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.487 6.160 -2.540 1.00 0.00 O ATOM 318 ND2 ASN A 35 -4.994 3.992 -2.247 1.00 0.00 N ATOM 0 H ASN A 35 -5.144 4.555 1.278 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.404 6.884 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.407 4.700 -0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.855 6.198 -1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.396 3.701 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.515 3.295 -1.716 1.00 0.00 H new ATOM 325 N GLU A 36 -7.090 7.117 1.781 1.00 0.00 N ATOM 326 CA GLU A 36 -8.020 8.063 2.389 1.00 0.00 C ATOM 327 C GLU A 36 -7.257 9.157 3.127 1.00 0.00 C ATOM 328 O GLU A 36 -7.462 10.349 2.884 1.00 0.00 O ATOM 329 CB GLU A 36 -8.965 7.339 3.350 1.00 0.00 C ATOM 330 CG GLU A 36 -10.381 7.196 2.819 1.00 0.00 C ATOM 331 CD GLU A 36 -11.432 7.595 3.839 1.00 0.00 C ATOM 332 OE1 GLU A 36 -11.138 8.470 4.682 1.00 0.00 O ATOM 333 OE2 GLU A 36 -12.546 7.033 3.794 1.00 0.00 O ATOM 0 H GLU A 36 -7.184 6.158 2.116 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.612 8.523 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.564 6.348 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.993 7.881 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.494 7.812 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.548 6.162 2.516 1.00 0.00 H new ATOM 340 N VAL A 37 -6.370 8.740 4.022 1.00 0.00 N ATOM 341 CA VAL A 37 -5.562 9.676 4.794 1.00 0.00 C ATOM 342 C VAL A 37 -4.754 10.581 3.870 1.00 0.00 C ATOM 343 O VAL A 37 -4.583 11.771 4.138 1.00 0.00 O ATOM 344 CB VAL A 37 -4.599 8.939 5.745 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.898 9.924 6.667 1.00 0.00 C ATOM 346 CG2 VAL A 37 -5.343 7.881 6.545 1.00 0.00 C ATOM 0 H VAL A 37 -6.192 7.758 4.231 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.249 10.279 5.387 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.839 8.438 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.223 9.384 7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.328 10.637 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.640 10.458 7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.646 7.371 7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.127 8.355 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.789 7.157 5.864 1.00 0.00 H new ATOM 356 N VAL A 38 -4.264 10.004 2.778 1.00 0.00 N ATOM 357 CA VAL A 38 -3.478 10.749 1.805 1.00 0.00 C ATOM 358 C VAL A 38 -4.357 11.720 1.025 1.00 0.00 C ATOM 359 O VAL A 38 -3.954 12.847 0.737 1.00 0.00 O ATOM 360 CB VAL A 38 -2.770 9.800 0.816 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.965 10.588 -0.211 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.879 8.818 1.564 1.00 0.00 C ATOM 0 H VAL A 38 -4.399 9.020 2.545 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.725 11.310 2.359 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.532 9.233 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.475 9.897 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.632 11.244 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.211 11.188 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.388 8.156 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.125 9.367 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.485 8.226 2.250 1.00 0.00 H new ATOM 372 N SER A 39 -5.564 11.274 0.687 1.00 0.00 N ATOM 373 CA SER A 39 -6.504 12.103 -0.060 1.00 0.00 C ATOM 374 C SER A 39 -6.811 13.389 0.699 1.00 0.00 C ATOM 375 O SER A 39 -6.962 14.454 0.100 1.00 0.00 O ATOM 376 CB SER A 39 -7.798 11.330 -0.323 1.00 0.00 C ATOM 377 OG SER A 39 -7.762 10.689 -1.586 1.00 0.00 O ATOM 0 H SER A 39 -5.913 10.344 0.919 1.00 0.00 H new ATOM 0 HA SER A 39 -6.046 12.365 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.947 10.587 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.647 12.012 -0.282 1.00 0.00 H new ATOM 0 HG SER A 39 -8.600 10.201 -1.729 1.00 0.00 H new ATOM 383 N ALA A 40 -6.897 13.282 2.019 1.00 0.00 N ATOM 384 CA ALA A 40 -7.181 14.436 2.862 1.00 0.00 C ATOM 385 C ALA A 40 -6.046 15.455 2.813 1.00 0.00 C ATOM 386 O ALA A 40 -6.227 16.616 3.180 1.00 0.00 O ATOM 387 CB ALA A 40 -7.429 13.991 4.297 1.00 0.00 C ATOM 0 H ALA A 40 -6.774 12.407 2.529 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.080 14.919 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.640 14.862 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.280 13.311 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.544 13.481 4.678 1.00 0.00 H new ATOM 393 N LEU A 41 -4.875 15.017 2.360 1.00 0.00 N ATOM 394 CA LEU A 41 -3.713 15.893 2.267 1.00 0.00 C ATOM 395 C LEU A 41 -3.781 16.767 1.018 1.00 0.00 C ATOM 396 O LEU A 41 -3.338 17.917 1.030 1.00 0.00 O ATOM 397 CB LEU A 41 -2.425 15.068 2.256 1.00 0.00 C ATOM 398 CG LEU A 41 -2.230 14.156 3.467 1.00 0.00 C ATOM 399 CD1 LEU A 41 -1.178 13.096 3.173 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.837 14.973 4.688 1.00 0.00 C ATOM 0 H LEU A 41 -4.706 14.060 2.051 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.714 16.544 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.411 14.456 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.576 15.749 2.193 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.174 13.653 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.052 12.456 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.497 12.492 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.230 13.580 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.702 14.309 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.905 15.501 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.622 15.695 4.911 1.00 0.00 H new ATOM 412 N LYS A 42 -4.332 16.213 -0.059 1.00 0.00 N ATOM 413 CA LYS A 42 -4.455 16.937 -1.323 1.00 0.00 C ATOM 414 C LYS A 42 -3.085 17.259 -1.919 1.00 0.00 C ATOM 415 O LYS A 42 -2.978 18.057 -2.850 1.00 0.00 O ATOM 416 CB LYS A 42 -5.240 18.231 -1.118 1.00 0.00 C ATOM 417 CG LYS A 42 -6.701 18.011 -0.764 1.00 0.00 C ATOM 418 CD LYS A 42 -6.871 17.659 0.705 1.00 0.00 C ATOM 419 CE LYS A 42 -8.095 18.332 1.302 1.00 0.00 C ATOM 420 NZ LYS A 42 -7.765 19.652 1.908 1.00 0.00 N ATOM 0 H LYS A 42 -4.702 15.263 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.990 16.292 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.767 18.811 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.182 18.828 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.271 18.912 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.109 17.210 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.960 16.578 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.982 17.962 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.849 18.467 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.532 17.683 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.627 20.078 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.065 19.521 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.372 20.281 1.178 1.00 0.00 H new ATOM 434 N ASP A 43 -2.044 16.637 -1.381 1.00 0.00 N ATOM 435 CA ASP A 43 -0.686 16.861 -1.861 1.00 0.00 C ATOM 436 C ASP A 43 0.050 15.535 -2.042 1.00 0.00 C ATOM 437 O ASP A 43 -0.285 14.537 -1.407 1.00 0.00 O ATOM 438 CB ASP A 43 0.080 17.757 -0.886 1.00 0.00 C ATOM 439 CG ASP A 43 0.042 19.216 -1.295 1.00 0.00 C ATOM 440 OD1 ASP A 43 -0.993 19.874 -1.060 1.00 0.00 O ATOM 441 OD2 ASP A 43 1.050 19.704 -1.850 1.00 0.00 O ATOM 0 H ASP A 43 -2.114 15.972 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.744 17.359 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.345 17.651 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.117 17.425 -0.828 1.00 0.00 H new ATOM 446 N GLY A 44 1.053 15.534 -2.916 1.00 0.00 N ATOM 447 CA GLY A 44 1.815 14.324 -3.167 1.00 0.00 C ATOM 448 C GLY A 44 0.939 13.179 -3.639 1.00 0.00 C ATOM 449 O GLY A 44 1.258 12.011 -3.419 1.00 0.00 O ATOM 0 H GLY A 44 1.351 16.348 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.579 14.527 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.335 14.029 -2.255 1.00 0.00 H new ATOM 453 N LYS A 45 -0.170 13.522 -4.286 1.00 0.00 N ATOM 454 CA LYS A 45 -1.105 12.523 -4.792 1.00 0.00 C ATOM 455 C LYS A 45 -0.415 11.522 -5.720 1.00 0.00 C ATOM 456 O LYS A 45 -0.457 10.318 -5.478 1.00 0.00 O ATOM 457 CB LYS A 45 -2.260 13.207 -5.527 1.00 0.00 C ATOM 458 CG LYS A 45 -3.585 13.129 -4.786 1.00 0.00 C ATOM 459 CD LYS A 45 -4.049 11.689 -4.622 1.00 0.00 C ATOM 460 CE LYS A 45 -4.647 11.451 -3.245 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.283 10.110 -3.142 1.00 0.00 N ATOM 0 H LYS A 45 -0.444 14.487 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.495 11.971 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.006 14.254 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.376 12.750 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.482 13.593 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.341 13.696 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.789 11.455 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.207 11.014 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.867 11.542 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.388 12.222 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.168 10.186 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.490 9.750 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.636 9.455 -2.657 1.00 0.00 H new ATOM 475 N PRO A 46 0.227 12.003 -6.802 1.00 0.00 N ATOM 476 CA PRO A 46 0.915 11.131 -7.761 1.00 0.00 C ATOM 477 C PRO A 46 1.958 10.236 -7.099 1.00 0.00 C ATOM 478 O PRO A 46 1.987 9.029 -7.330 1.00 0.00 O ATOM 479 CB PRO A 46 1.586 12.109 -8.738 1.00 0.00 C ATOM 480 CG PRO A 46 1.543 13.439 -8.065 1.00 0.00 C ATOM 481 CD PRO A 46 0.328 13.419 -7.185 1.00 0.00 C ATOM 0 HA PRO A 46 0.220 10.444 -8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.612 11.810 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.058 12.135 -9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.446 13.609 -7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.481 14.245 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.447 14.066 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.561 13.759 -7.715 1.00 0.00 H new ATOM 489 N GLU A 47 2.815 10.835 -6.276 1.00 0.00 N ATOM 490 CA GLU A 47 3.864 10.088 -5.583 1.00 0.00 C ATOM 491 C GLU A 47 3.274 8.935 -4.774 1.00 0.00 C ATOM 492 O GLU A 47 3.740 7.798 -4.855 1.00 0.00 O ATOM 493 CB GLU A 47 4.656 11.017 -4.664 1.00 0.00 C ATOM 494 CG GLU A 47 5.872 11.642 -5.330 1.00 0.00 C ATOM 495 CD GLU A 47 6.248 12.978 -4.721 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.700 12.994 -3.558 1.00 0.00 O ATOM 497 OE2 GLU A 47 6.091 14.008 -5.408 1.00 0.00 O ATOM 0 H GLU A 47 2.805 11.834 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 47 4.534 9.672 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.998 11.811 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.980 10.457 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.717 10.959 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.671 11.775 -6.393 1.00 0.00 H new ATOM 504 N VAL A 48 2.249 9.241 -3.994 1.00 0.00 N ATOM 505 CA VAL A 48 1.590 8.239 -3.166 1.00 0.00 C ATOM 506 C VAL A 48 0.863 7.210 -4.019 1.00 0.00 C ATOM 507 O VAL A 48 1.023 6.012 -3.828 1.00 0.00 O ATOM 508 CB VAL A 48 0.586 8.885 -2.193 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.079 7.859 -1.190 1.00 0.00 C ATOM 510 CG2 VAL A 48 1.216 10.074 -1.481 1.00 0.00 C ATOM 0 H VAL A 48 1.853 10.178 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 48 2.372 7.742 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.265 9.248 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.629 8.333 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.416 7.046 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.919 7.462 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.490 10.516 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.088 9.741 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.522 10.818 -2.216 1.00 0.00 H new ATOM 520 N ASN A 49 0.058 7.679 -4.958 1.00 0.00 N ATOM 521 CA ASN A 49 -0.696 6.783 -5.822 1.00 0.00 C ATOM 522 C ASN A 49 0.222 5.849 -6.611 1.00 0.00 C ATOM 523 O ASN A 49 -0.147 4.710 -6.895 1.00 0.00 O ATOM 524 CB ASN A 49 -1.573 7.587 -6.783 1.00 0.00 C ATOM 525 CG ASN A 49 -2.802 8.159 -6.101 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.304 7.597 -5.129 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.293 9.282 -6.612 1.00 0.00 N ATOM 0 H ASN A 49 -0.091 8.671 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.329 6.167 -5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.987 8.400 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.884 6.947 -7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.119 9.713 -6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.844 9.714 -7.420 1.00 0.00 H new ATOM 534 N ARG A 50 1.411 6.328 -6.973 1.00 0.00 N ATOM 535 CA ARG A 50 2.351 5.509 -7.739 1.00 0.00 C ATOM 536 C ARG A 50 2.986 4.427 -6.869 1.00 0.00 C ATOM 537 O ARG A 50 3.148 3.285 -7.304 1.00 0.00 O ATOM 538 CB ARG A 50 3.431 6.383 -8.387 1.00 0.00 C ATOM 539 CG ARG A 50 4.365 7.058 -7.397 1.00 0.00 C ATOM 540 CD ARG A 50 5.689 7.427 -8.045 1.00 0.00 C ATOM 541 NE ARG A 50 5.506 8.293 -9.207 1.00 0.00 N ATOM 542 CZ ARG A 50 6.417 8.451 -10.165 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.575 7.804 -10.104 1.00 0.00 N ATOM 544 NH2 ARG A 50 6.169 9.257 -11.188 1.00 0.00 N ATOM 0 H ARG A 50 1.744 7.266 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 50 1.788 5.013 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.022 5.767 -9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.947 7.149 -8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.890 7.955 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.545 6.393 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.323 7.930 -7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.210 6.519 -8.348 1.00 0.00 H new ATOM 0 HE ARG A 50 4.629 8.807 -9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.771 7.182 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.269 7.929 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.281 9.756 -11.241 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.866 9.379 -11.922 1.00 0.00 H new ATOM 558 N GLN A 51 3.325 4.778 -5.632 1.00 0.00 N ATOM 559 CA GLN A 51 3.919 3.817 -4.712 1.00 0.00 C ATOM 560 C GLN A 51 2.832 2.893 -4.199 1.00 0.00 C ATOM 561 O GLN A 51 2.951 1.667 -4.244 1.00 0.00 O ATOM 562 CB GLN A 51 4.599 4.535 -3.544 1.00 0.00 C ATOM 563 CG GLN A 51 6.003 5.020 -3.865 1.00 0.00 C ATOM 564 CD GLN A 51 6.710 5.601 -2.657 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.542 4.941 -2.033 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.383 6.842 -2.320 1.00 0.00 N ATOM 0 H GLN A 51 3.199 5.714 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 51 4.678 3.237 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.988 5.387 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.643 3.860 -2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.589 4.190 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.952 5.775 -4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.688 7.352 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.826 7.286 -1.516 1.00 0.00 H new ATOM 575 N ILE A 52 1.755 3.509 -3.741 1.00 0.00 N ATOM 576 CA ILE A 52 0.603 2.790 -3.240 1.00 0.00 C ATOM 577 C ILE A 52 0.072 1.841 -4.313 1.00 0.00 C ATOM 578 O ILE A 52 -0.480 0.784 -4.006 1.00 0.00 O ATOM 579 CB ILE A 52 -0.504 3.782 -2.825 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.035 4.621 -1.627 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.793 3.047 -2.507 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.152 5.067 -0.702 1.00 0.00 C ATOM 0 H ILE A 52 1.658 4.524 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 52 0.904 2.210 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.705 4.454 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.687 4.041 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.488 5.503 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.560 3.766 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.125 2.498 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.621 2.349 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.734 5.653 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.864 5.676 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.661 4.192 -0.298 1.00 0.00 H new ATOM 594 N LYS A 53 0.258 2.223 -5.575 1.00 0.00 N ATOM 595 CA LYS A 53 -0.186 1.403 -6.694 1.00 0.00 C ATOM 596 C LYS A 53 0.660 0.139 -6.787 1.00 0.00 C ATOM 597 O LYS A 53 0.132 -0.972 -6.812 1.00 0.00 O ATOM 598 CB LYS A 53 -0.105 2.193 -8.005 1.00 0.00 C ATOM 599 CG LYS A 53 -0.327 1.347 -9.251 1.00 0.00 C ATOM 600 CD LYS A 53 -0.926 2.168 -10.381 1.00 0.00 C ATOM 601 CE LYS A 53 -0.660 1.534 -11.736 1.00 0.00 C ATOM 602 NZ LYS A 53 -1.035 2.439 -12.858 1.00 0.00 N ATOM 0 H LYS A 53 0.713 3.095 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.225 1.120 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.847 2.991 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.873 2.669 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.621 0.918 -9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.989 0.514 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.001 2.266 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.508 3.174 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.396 1.277 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.222 0.603 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.838 1.969 -13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.049 2.664 -12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.481 3.317 -12.796 1.00 0.00 H new ATOM 616 N ASN A 54 1.978 0.312 -6.829 1.00 0.00 N ATOM 617 CA ASN A 54 2.890 -0.826 -6.914 1.00 0.00 C ATOM 618 C ASN A 54 2.605 -1.834 -5.805 1.00 0.00 C ATOM 619 O ASN A 54 2.784 -3.037 -5.986 1.00 0.00 O ATOM 620 CB ASN A 54 4.349 -0.363 -6.825 1.00 0.00 C ATOM 621 CG ASN A 54 4.611 0.907 -7.610 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.183 1.044 -8.755 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.318 1.845 -6.991 1.00 0.00 N ATOM 0 H ASN A 54 2.437 1.223 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 54 2.729 -1.307 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.610 -0.199 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.000 -1.155 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.526 2.723 -7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.653 1.687 -6.040 1.00 0.00 H new ATOM 630 N LEU A 55 2.164 -1.334 -4.654 1.00 0.00 N ATOM 631 CA LEU A 55 1.861 -2.198 -3.519 1.00 0.00 C ATOM 632 C LEU A 55 0.557 -2.954 -3.732 1.00 0.00 C ATOM 633 O LEU A 55 0.502 -4.168 -3.540 1.00 0.00 O ATOM 634 CB LEU A 55 1.800 -1.386 -2.224 1.00 0.00 C ATOM 635 CG LEU A 55 3.055 -0.571 -1.909 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.931 0.101 -0.550 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.292 -1.456 -1.956 1.00 0.00 C ATOM 0 H LEU A 55 2.009 -0.340 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 55 2.665 -2.929 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.949 -0.707 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.611 -2.068 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 55 3.158 0.206 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.834 0.676 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.069 0.768 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.801 -0.659 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.175 -0.859 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.196 -2.255 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.392 -1.889 -2.951 1.00 0.00 H new ATOM 649 N GLU A 56 -0.489 -2.246 -4.143 1.00 0.00 N ATOM 650 CA GLU A 56 -1.773 -2.894 -4.390 1.00 0.00 C ATOM 651 C GLU A 56 -1.583 -4.015 -5.404 1.00 0.00 C ATOM 652 O GLU A 56 -2.256 -5.044 -5.352 1.00 0.00 O ATOM 653 CB GLU A 56 -2.818 -1.883 -4.881 1.00 0.00 C ATOM 654 CG GLU A 56 -2.621 -1.420 -6.318 1.00 0.00 C ATOM 655 CD GLU A 56 -3.919 -0.990 -6.973 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.941 -1.679 -6.775 1.00 0.00 O ATOM 657 OE2 GLU A 56 -3.914 0.038 -7.683 1.00 0.00 O ATOM 0 H GLU A 56 -0.476 -1.240 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.144 -3.314 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.808 -2.329 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.798 -1.012 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.916 -0.588 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.175 -2.228 -6.899 1.00 0.00 H new ATOM 664 N ILE A 57 -0.630 -3.808 -6.308 1.00 0.00 N ATOM 665 CA ILE A 57 -0.300 -4.791 -7.321 1.00 0.00 C ATOM 666 C ILE A 57 0.401 -5.978 -6.681 1.00 0.00 C ATOM 667 O ILE A 57 0.103 -7.132 -6.988 1.00 0.00 O ATOM 668 CB ILE A 57 0.613 -4.180 -8.398 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.027 -2.921 -8.973 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.901 -5.187 -9.500 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.979 -1.919 -9.485 1.00 0.00 C ATOM 0 H ILE A 57 -0.070 -2.957 -6.355 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.226 -5.121 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 57 1.562 -3.910 -7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.696 -3.201 -9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.640 -2.450 -8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.548 -4.731 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.397 -6.060 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.035 -5.493 -9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.456 -1.048 -9.880 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.633 -1.611 -8.669 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.575 -2.374 -10.276 1.00 0.00 H new ATOM 683 N SER A 58 1.330 -5.685 -5.772 1.00 0.00 N ATOM 684 CA SER A 58 2.066 -6.731 -5.072 1.00 0.00 C ATOM 685 C SER A 58 1.101 -7.645 -4.323 1.00 0.00 C ATOM 686 O SER A 58 1.195 -8.871 -4.405 1.00 0.00 O ATOM 687 CB SER A 58 3.070 -6.115 -4.095 1.00 0.00 C ATOM 688 OG SER A 58 3.665 -4.950 -4.641 1.00 0.00 O ATOM 0 H SER A 58 1.589 -4.735 -5.505 1.00 0.00 H new ATOM 0 HA SER A 58 2.612 -7.321 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.567 -5.866 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.844 -6.844 -3.856 1.00 0.00 H new ATOM 0 HG SER A 58 2.976 -4.268 -4.785 1.00 0.00 H new ATOM 694 N ILE A 59 0.164 -7.035 -3.603 1.00 0.00 N ATOM 695 CA ILE A 59 -0.833 -7.783 -2.846 1.00 0.00 C ATOM 696 C ILE A 59 -1.661 -8.662 -3.778 1.00 0.00 C ATOM 697 O ILE A 59 -1.746 -9.880 -3.597 1.00 0.00 O ATOM 698 CB ILE A 59 -1.772 -6.837 -2.069 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.959 -5.893 -1.181 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.764 -7.631 -1.232 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.810 -4.902 -0.416 1.00 0.00 C ATOM 0 H ILE A 59 0.075 -6.022 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.300 -8.410 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.333 -6.242 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.378 -6.484 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.247 -5.347 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.416 -6.944 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.365 -8.265 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.223 -8.253 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.168 -4.265 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.372 -4.286 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.504 -5.440 0.230 1.00 0.00 H new ATOM 713 N ASP A 60 -2.266 -8.037 -4.785 1.00 0.00 N ATOM 714 CA ASP A 60 -3.079 -8.762 -5.752 1.00 0.00 C ATOM 715 C ASP A 60 -2.255 -9.857 -6.418 1.00 0.00 C ATOM 716 O ASP A 60 -2.771 -10.931 -6.735 1.00 0.00 O ATOM 717 CB ASP A 60 -3.635 -7.805 -6.808 1.00 0.00 C ATOM 718 CG ASP A 60 -5.033 -7.323 -6.472 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.194 -6.643 -5.437 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.966 -7.625 -7.245 1.00 0.00 O ATOM 0 H ASP A 60 -2.208 -7.032 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.915 -9.222 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.970 -6.946 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.649 -8.305 -7.776 1.00 0.00 H new ATOM 725 N ALA A 61 -0.965 -9.585 -6.613 1.00 0.00 N ATOM 726 CA ALA A 61 -0.070 -10.557 -7.223 1.00 0.00 C ATOM 727 C ALA A 61 -0.089 -11.851 -6.424 1.00 0.00 C ATOM 728 O ALA A 61 -0.268 -12.941 -6.976 1.00 0.00 O ATOM 729 CB ALA A 61 1.344 -9.999 -7.307 1.00 0.00 C ATOM 0 H ALA A 61 -0.522 -8.703 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.413 -10.766 -8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.000 -10.739 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.342 -9.092 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.704 -9.767 -6.305 1.00 0.00 H new ATOM 735 N LEU A 62 0.070 -11.723 -5.109 1.00 0.00 N ATOM 736 CA LEU A 62 0.046 -12.876 -4.230 1.00 0.00 C ATOM 737 C LEU A 62 -1.243 -13.653 -4.433 1.00 0.00 C ATOM 738 O LEU A 62 -1.216 -14.865 -4.618 1.00 0.00 O ATOM 739 CB LEU A 62 0.166 -12.437 -2.771 1.00 0.00 C ATOM 740 CG LEU A 62 1.570 -12.014 -2.351 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.646 -10.505 -2.160 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.994 -12.737 -1.082 1.00 0.00 C ATOM 0 H LEU A 62 0.216 -10.832 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 62 0.893 -13.518 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.517 -11.606 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.160 -13.256 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 62 2.259 -12.291 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.656 -10.227 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.395 -10.007 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.941 -10.200 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.998 -12.420 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.299 -12.497 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.989 -13.813 -1.257 1.00 0.00 H new ATOM 754 N MET A 63 -2.368 -12.936 -4.420 1.00 0.00 N ATOM 755 CA MET A 63 -3.683 -13.555 -4.613 1.00 0.00 C ATOM 756 C MET A 63 -3.649 -14.546 -5.770 1.00 0.00 C ATOM 757 O MET A 63 -3.907 -15.735 -5.587 1.00 0.00 O ATOM 758 CB MET A 63 -4.743 -12.486 -4.897 1.00 0.00 C ATOM 759 CG MET A 63 -4.837 -11.407 -3.833 1.00 0.00 C ATOM 760 SD MET A 63 -5.727 -11.954 -2.368 1.00 0.00 S ATOM 761 CE MET A 63 -4.650 -11.327 -1.084 1.00 0.00 C ATOM 0 H MET A 63 -2.396 -11.926 -4.278 1.00 0.00 H new ATOM 0 HA MET A 63 -3.939 -14.085 -3.696 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.523 -12.017 -5.856 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.715 -12.970 -4.995 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.832 -11.095 -3.548 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.336 -10.532 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.175 -11.341 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.760 -11.953 -1.018 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.358 -10.304 -1.322 1.00 0.00 H new ATOM 771 N ALA A 64 -3.316 -14.052 -6.955 1.00 0.00 N ATOM 772 CA ALA A 64 -3.235 -14.905 -8.132 1.00 0.00 C ATOM 773 C ALA A 64 -2.218 -16.020 -7.917 1.00 0.00 C ATOM 774 O ALA A 64 -2.292 -17.073 -8.548 1.00 0.00 O ATOM 775 CB ALA A 64 -2.871 -14.080 -9.357 1.00 0.00 C ATOM 0 H ALA A 64 -3.099 -13.070 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.211 -15.360 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.814 -14.730 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.633 -13.318 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.905 -13.600 -9.198 1.00 0.00 H new ATOM 781 N LYS A 65 -1.273 -15.783 -7.008 1.00 0.00 N ATOM 782 CA LYS A 65 -0.247 -16.768 -6.694 1.00 0.00 C ATOM 783 C LYS A 65 -0.779 -17.797 -5.707 1.00 0.00 C ATOM 784 O LYS A 65 -0.338 -18.945 -5.681 1.00 0.00 O ATOM 785 CB LYS A 65 0.992 -16.078 -6.119 1.00 0.00 C ATOM 786 CG LYS A 65 2.225 -16.210 -6.999 1.00 0.00 C ATOM 787 CD LYS A 65 3.506 -16.003 -6.205 1.00 0.00 C ATOM 788 CE LYS A 65 4.157 -14.665 -6.526 1.00 0.00 C ATOM 789 NZ LYS A 65 4.261 -13.796 -5.322 1.00 0.00 N ATOM 0 H LYS A 65 -1.199 -14.915 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 65 0.031 -17.281 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.773 -15.021 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.210 -16.499 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.239 -17.197 -7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.175 -15.480 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.286 -16.054 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.205 -16.810 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.152 -14.835 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.577 -14.154 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.416 -12.811 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.380 -13.858 -4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.059 -14.111 -4.734 1.00 0.00 H new ATOM 803 N ILE A 66 -1.722 -17.368 -4.879 1.00 0.00 N ATOM 804 CA ILE A 66 -2.307 -18.241 -3.873 1.00 0.00 C ATOM 805 C ILE A 66 -3.251 -19.268 -4.490 1.00 0.00 C ATOM 806 O ILE A 66 -3.213 -20.447 -4.142 1.00 0.00 O ATOM 807 CB ILE A 66 -3.080 -17.453 -2.797 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.476 -16.066 -2.586 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.088 -18.230 -1.497 1.00 0.00 C ATOM 810 CD1 ILE A 66 -1.004 -16.079 -2.230 1.00 0.00 C ATOM 0 H ILE A 66 -2.098 -16.420 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.466 -18.754 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.106 -17.319 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.614 -15.480 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.026 -15.559 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.636 -17.668 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.571 -19.195 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.063 -18.387 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.653 -15.056 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.858 -16.636 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.440 -16.555 -3.032 1.00 0.00 H new ATOM 822 N LYS A 67 -4.112 -18.806 -5.391 1.00 0.00 N ATOM 823 CA LYS A 67 -5.085 -19.683 -6.035 1.00 0.00 C ATOM 824 C LYS A 67 -4.529 -20.317 -7.311 1.00 0.00 C ATOM 825 O LYS A 67 -4.893 -21.440 -7.660 1.00 0.00 O ATOM 826 CB LYS A 67 -6.362 -18.904 -6.356 1.00 0.00 C ATOM 827 CG LYS A 67 -7.568 -19.354 -5.547 1.00 0.00 C ATOM 828 CD LYS A 67 -7.405 -19.024 -4.071 1.00 0.00 C ATOM 829 CE LYS A 67 -8.670 -18.405 -3.492 1.00 0.00 C ATOM 830 NZ LYS A 67 -8.454 -16.994 -3.070 1.00 0.00 N ATOM 0 H LYS A 67 -4.156 -17.832 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.311 -20.489 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.187 -17.844 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.586 -19.011 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.466 -18.871 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.708 -20.428 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.158 -19.931 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.570 -18.335 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.466 -18.444 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.003 -18.993 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.630 -16.906 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.474 -16.716 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.107 -16.373 -3.589 1.00 0.00 H new ATOM 844 N SER A 68 -3.663 -19.594 -8.012 1.00 0.00 N ATOM 845 CA SER A 68 -3.088 -20.104 -9.254 1.00 0.00 C ATOM 846 C SER A 68 -1.703 -20.701 -9.038 1.00 0.00 C ATOM 847 O SER A 68 -0.915 -20.812 -9.976 1.00 0.00 O ATOM 848 CB SER A 68 -3.025 -18.998 -10.309 1.00 0.00 C ATOM 849 OG SER A 68 -3.370 -19.494 -11.592 1.00 0.00 O ATOM 0 H SER A 68 -3.345 -18.662 -7.746 1.00 0.00 H new ATOM 0 HA SER A 68 -3.741 -20.902 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.703 -18.190 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.021 -18.575 -10.337 1.00 0.00 H new ATOM 0 HG SER A 68 -3.323 -18.767 -12.247 1.00 0.00 H new ATOM 855 N THR A 69 -1.418 -21.092 -7.802 1.00 0.00 N ATOM 856 CA THR A 69 -0.134 -21.689 -7.455 1.00 0.00 C ATOM 857 C THR A 69 -0.077 -22.026 -5.969 1.00 0.00 C ATOM 858 O THR A 69 -0.706 -21.360 -5.147 1.00 0.00 O ATOM 859 CB THR A 69 1.015 -20.748 -7.822 1.00 0.00 C ATOM 860 OG1 THR A 69 0.586 -19.397 -7.826 1.00 0.00 O ATOM 861 CG2 THR A 69 1.610 -21.048 -9.177 1.00 0.00 C ATOM 0 H THR A 69 -2.064 -21.005 -7.018 1.00 0.00 H new ATOM 0 HA THR A 69 -0.028 -22.612 -8.025 1.00 0.00 H new ATOM 0 HB THR A 69 1.777 -20.909 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.696 -19.016 -6.930 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.420 -20.348 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.999 -22.066 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.841 -20.947 -9.943 1.00 0.00 H new ATOM 869 N MET A 70 0.678 -23.066 -5.632 1.00 0.00 N ATOM 870 CA MET A 70 0.817 -23.493 -4.246 1.00 0.00 C ATOM 871 C MET A 70 1.803 -22.602 -3.497 1.00 0.00 C ATOM 872 O MET A 70 2.832 -23.070 -3.007 1.00 0.00 O ATOM 873 CB MET A 70 1.275 -24.952 -4.184 1.00 0.00 C ATOM 874 CG MET A 70 0.140 -25.953 -4.324 1.00 0.00 C ATOM 875 SD MET A 70 0.015 -26.634 -5.990 1.00 0.00 S ATOM 876 CE MET A 70 1.461 -27.688 -6.034 1.00 0.00 C ATOM 0 H MET A 70 1.203 -23.629 -6.301 1.00 0.00 H new ATOM 0 HA MET A 70 -0.157 -23.406 -3.765 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.004 -25.129 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.785 -25.124 -3.236 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.288 -26.766 -3.614 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.801 -25.469 -4.062 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.353 -28.420 -6.834 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.348 -27.081 -6.215 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.563 -28.205 -5.080 1.00 0.00 H new ATOM 886 N MET A 71 1.483 -21.316 -3.412 1.00 0.00 N ATOM 887 CA MET A 71 2.340 -20.359 -2.722 1.00 0.00 C ATOM 888 C MET A 71 2.493 -20.731 -1.252 1.00 0.00 C ATOM 889 O MET A 71 1.512 -20.805 -0.514 1.00 0.00 O ATOM 890 CB MET A 71 1.769 -18.946 -2.851 1.00 0.00 C ATOM 891 CG MET A 71 2.743 -17.953 -3.460 1.00 0.00 C ATOM 892 SD MET A 71 4.270 -17.809 -2.514 1.00 0.00 S ATOM 893 CE MET A 71 4.844 -16.197 -3.040 1.00 0.00 C ATOM 0 H MET A 71 0.636 -20.912 -3.812 1.00 0.00 H new ATOM 0 HA MET A 71 3.325 -20.386 -3.188 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.868 -18.981 -3.463 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.470 -18.592 -1.864 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.979 -18.260 -4.479 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.266 -16.975 -3.524 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.570 -15.817 -2.321 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.313 -16.280 -4.020 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.999 -15.511 -3.099 1.00 0.00 H new ATOM 903 N THR A 72 3.732 -20.962 -0.832 1.00 0.00 N ATOM 904 CA THR A 72 4.013 -21.324 0.552 1.00 0.00 C ATOM 905 C THR A 72 3.668 -20.175 1.492 1.00 0.00 C ATOM 906 O THR A 72 4.039 -19.027 1.247 1.00 0.00 O ATOM 907 CB THR A 72 5.485 -21.708 0.713 1.00 0.00 C ATOM 908 OG1 THR A 72 5.916 -22.511 -0.371 1.00 0.00 O ATOM 909 CG2 THR A 72 5.768 -22.468 1.990 1.00 0.00 C ATOM 0 H THR A 72 4.557 -20.905 -1.429 1.00 0.00 H new ATOM 0 HA THR A 72 3.393 -22.182 0.812 1.00 0.00 H new ATOM 0 HB THR A 72 6.028 -20.764 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.860 -22.744 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.830 -22.710 2.042 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.493 -21.854 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.185 -23.389 2.002 1.00 0.00 H new ATOM 917 N ARG A 73 2.957 -20.490 2.570 1.00 0.00 N ATOM 918 CA ARG A 73 2.563 -19.479 3.547 1.00 0.00 C ATOM 919 C ARG A 73 3.778 -18.709 4.050 1.00 0.00 C ATOM 920 O ARG A 73 3.685 -17.525 4.376 1.00 0.00 O ATOM 921 CB ARG A 73 1.833 -20.133 4.722 1.00 0.00 C ATOM 922 CG ARG A 73 2.597 -21.288 5.348 1.00 0.00 C ATOM 923 CD ARG A 73 1.686 -22.468 5.647 1.00 0.00 C ATOM 924 NE ARG A 73 1.299 -23.184 4.433 1.00 0.00 N ATOM 925 CZ ARG A 73 0.136 -23.016 3.803 1.00 0.00 C ATOM 926 NH1 ARG A 73 -0.765 -22.155 4.262 1.00 0.00 N ATOM 927 NH2 ARG A 73 -0.127 -23.714 2.706 1.00 0.00 N ATOM 0 H ARG A 73 2.642 -21.435 2.790 1.00 0.00 H new ATOM 0 HA ARG A 73 1.889 -18.777 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.642 -19.379 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.863 -20.493 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.394 -21.605 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.073 -20.953 6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.193 -23.154 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.792 -22.114 6.160 1.00 0.00 H new ATOM 0 HE ARG A 73 1.961 -23.855 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.571 -21.614 5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.651 -22.035 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.560 -24.377 2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.016 -23.588 2.222 1.00 0.00 H new ATOM 941 N GLU A 74 4.922 -19.385 4.103 1.00 0.00 N ATOM 942 CA GLU A 74 6.158 -18.760 4.558 1.00 0.00 C ATOM 943 C GLU A 74 6.533 -17.597 3.647 1.00 0.00 C ATOM 944 O GLU A 74 6.882 -16.514 4.118 1.00 0.00 O ATOM 945 CB GLU A 74 7.292 -19.787 4.589 1.00 0.00 C ATOM 946 CG GLU A 74 8.419 -19.418 5.540 1.00 0.00 C ATOM 947 CD GLU A 74 9.787 -19.761 4.982 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.987 -20.924 4.573 1.00 0.00 O ATOM 949 OE2 GLU A 74 10.659 -18.868 4.955 1.00 0.00 O ATOM 0 H GLU A 74 5.018 -20.365 3.837 1.00 0.00 H new ATOM 0 HA GLU A 74 6.000 -18.378 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.886 -20.756 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.698 -19.899 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.375 -18.350 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.276 -19.938 6.487 1.00 0.00 H new ATOM 956 N GLN A 75 6.451 -17.827 2.340 1.00 0.00 N ATOM 957 CA GLN A 75 6.773 -16.798 1.361 1.00 0.00 C ATOM 958 C GLN A 75 5.822 -15.614 1.501 1.00 0.00 C ATOM 959 O GLN A 75 6.208 -14.464 1.288 1.00 0.00 O ATOM 960 CB GLN A 75 6.698 -17.373 -0.056 1.00 0.00 C ATOM 961 CG GLN A 75 8.050 -17.473 -0.742 1.00 0.00 C ATOM 962 CD GLN A 75 8.577 -16.124 -1.190 1.00 0.00 C ATOM 963 OE1 GLN A 75 8.361 -15.707 -2.329 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.274 -15.433 -0.295 1.00 0.00 N ATOM 0 H GLN A 75 6.164 -18.718 1.936 1.00 0.00 H new ATOM 0 HA GLN A 75 7.790 -16.450 1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.247 -18.364 -0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.039 -16.748 -0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.767 -17.931 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.967 -18.132 -1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.429 -15.817 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.654 -14.519 -0.540 1.00 0.00 H new ATOM 973 N ILE A 76 4.578 -15.905 1.868 1.00 0.00 N ATOM 974 CA ILE A 76 3.571 -14.867 2.045 1.00 0.00 C ATOM 975 C ILE A 76 3.896 -13.999 3.254 1.00 0.00 C ATOM 976 O ILE A 76 3.625 -12.799 3.263 1.00 0.00 O ATOM 977 CB ILE A 76 2.163 -15.475 2.226 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.854 -16.457 1.094 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.109 -14.375 2.290 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.659 -15.793 -0.254 1.00 0.00 C ATOM 0 H ILE A 76 4.244 -16.852 2.048 1.00 0.00 H new ATOM 0 HA ILE A 76 3.579 -14.254 1.143 1.00 0.00 H new ATOM 0 HB ILE A 76 2.142 -16.022 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.668 -17.179 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.954 -17.017 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.123 -14.823 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.321 -13.717 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.129 -13.798 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.444 -16.552 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.826 -15.092 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.567 -15.256 -0.530 1.00 0.00 H new ATOM 992 N GLN A 77 4.481 -14.617 4.277 1.00 0.00 N ATOM 993 CA GLN A 77 4.847 -13.905 5.495 1.00 0.00 C ATOM 994 C GLN A 77 5.974 -12.912 5.226 1.00 0.00 C ATOM 995 O GLN A 77 5.894 -11.747 5.617 1.00 0.00 O ATOM 996 CB GLN A 77 5.272 -14.894 6.582 1.00 0.00 C ATOM 997 CG GLN A 77 4.113 -15.413 7.416 1.00 0.00 C ATOM 998 CD GLN A 77 3.696 -14.444 8.505 1.00 0.00 C ATOM 999 OE1 GLN A 77 4.132 -14.555 9.650 1.00 0.00 O ATOM 1000 NE2 GLN A 77 2.848 -13.485 8.151 1.00 0.00 N ATOM 0 H GLN A 77 4.711 -15.611 4.285 1.00 0.00 H new ATOM 0 HA GLN A 77 3.973 -13.352 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.780 -15.738 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.995 -14.411 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.261 -15.610 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.394 -16.364 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.512 -13.431 7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.533 -12.803 8.841 1.00 0.00 H new ATOM 1009 N LYS A 78 7.023 -13.377 4.555 1.00 0.00 N ATOM 1010 CA LYS A 78 8.159 -12.519 4.239 1.00 0.00 C ATOM 1011 C LYS A 78 7.745 -11.417 3.278 1.00 0.00 C ATOM 1012 O LYS A 78 8.021 -10.242 3.518 1.00 0.00 O ATOM 1013 CB LYS A 78 9.307 -13.343 3.647 1.00 0.00 C ATOM 1014 CG LYS A 78 10.540 -13.390 4.534 1.00 0.00 C ATOM 1015 CD LYS A 78 10.303 -14.236 5.774 1.00 0.00 C ATOM 1016 CE LYS A 78 10.755 -13.518 7.036 1.00 0.00 C ATOM 1017 NZ LYS A 78 10.040 -14.014 8.244 1.00 0.00 N ATOM 0 H LYS A 78 7.110 -14.337 4.221 1.00 0.00 H new ATOM 0 HA LYS A 78 8.507 -12.057 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.959 -14.360 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.582 -12.925 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.380 -13.796 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.815 -12.378 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.243 -14.479 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.840 -15.180 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.828 -13.656 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.582 -12.447 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.377 -13.499 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.018 -13.859 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.225 -15.030 8.364 1.00 0.00 H new ATOM 1031 N GLU A 79 7.060 -11.788 2.200 1.00 0.00 N ATOM 1032 CA GLU A 79 6.598 -10.799 1.238 1.00 0.00 C ATOM 1033 C GLU A 79 5.741 -9.772 1.954 1.00 0.00 C ATOM 1034 O GLU A 79 5.766 -8.584 1.629 1.00 0.00 O ATOM 1035 CB GLU A 79 5.809 -11.465 0.108 1.00 0.00 C ATOM 1036 CG GLU A 79 6.688 -12.070 -0.974 1.00 0.00 C ATOM 1037 CD GLU A 79 6.025 -12.060 -2.338 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.756 -10.957 -2.859 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.776 -13.155 -2.886 1.00 0.00 O ATOM 0 H GLU A 79 6.816 -12.753 1.975 1.00 0.00 H new ATOM 0 HA GLU A 79 7.460 -10.304 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.176 -12.246 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.146 -10.728 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.626 -11.517 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.937 -13.096 -0.703 1.00 0.00 H new ATOM 1046 N TYR A 80 5.017 -10.233 2.970 1.00 0.00 N ATOM 1047 CA TYR A 80 4.196 -9.347 3.769 1.00 0.00 C ATOM 1048 C TYR A 80 5.107 -8.374 4.502 1.00 0.00 C ATOM 1049 O TYR A 80 4.775 -7.201 4.672 1.00 0.00 O ATOM 1050 CB TYR A 80 3.349 -10.141 4.766 1.00 0.00 C ATOM 1051 CG TYR A 80 2.352 -9.295 5.524 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.702 -8.680 6.722 1.00 0.00 C ATOM 1053 CD2 TYR A 80 1.061 -9.111 5.045 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.793 -7.906 7.417 1.00 0.00 C ATOM 1055 CE2 TYR A 80 0.146 -8.338 5.735 1.00 0.00 C ATOM 1056 CZ TYR A 80 0.518 -7.739 6.921 1.00 0.00 C ATOM 1057 OH TYR A 80 -0.391 -6.968 7.611 1.00 0.00 O ATOM 0 H TYR A 80 4.986 -11.212 3.254 1.00 0.00 H new ATOM 0 HA TYR A 80 3.513 -8.799 3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.814 -10.926 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.010 -10.635 5.479 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.700 -8.810 7.115 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.767 -9.580 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.080 -7.434 8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.853 -8.204 5.348 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.242 -6.952 7.125 1.00 0.00 H new ATOM 1067 N ASP A 81 6.277 -8.872 4.908 1.00 0.00 N ATOM 1068 CA ASP A 81 7.255 -8.042 5.591 1.00 0.00 C ATOM 1069 C ASP A 81 7.843 -7.029 4.621 1.00 0.00 C ATOM 1070 O ASP A 81 8.095 -5.880 4.987 1.00 0.00 O ATOM 1071 CB ASP A 81 8.365 -8.903 6.201 1.00 0.00 C ATOM 1072 CG ASP A 81 7.832 -9.915 7.195 1.00 0.00 C ATOM 1073 OD1 ASP A 81 6.848 -9.597 7.897 1.00 0.00 O ATOM 1074 OD2 ASP A 81 8.398 -11.024 7.272 1.00 0.00 O ATOM 0 H ASP A 81 6.564 -9.842 4.774 1.00 0.00 H new ATOM 0 HA ASP A 81 6.755 -7.509 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.895 -9.425 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.090 -8.258 6.697 1.00 0.00 H new ATOM 1079 N ALA A 82 8.042 -7.451 3.371 1.00 0.00 N ATOM 1080 CA ALA A 82 8.577 -6.556 2.356 1.00 0.00 C ATOM 1081 C ALA A 82 7.640 -5.373 2.173 1.00 0.00 C ATOM 1082 O ALA A 82 8.074 -4.242 1.947 1.00 0.00 O ATOM 1083 CB ALA A 82 8.775 -7.296 1.041 1.00 0.00 C ATOM 0 H ALA A 82 7.842 -8.396 3.044 1.00 0.00 H new ATOM 0 HA ALA A 82 9.550 -6.188 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.176 -6.610 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.473 -8.120 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.818 -7.689 0.697 1.00 0.00 H new ATOM 1089 N LEU A 83 6.345 -5.645 2.296 1.00 0.00 N ATOM 1090 CA LEU A 83 5.329 -4.613 2.171 1.00 0.00 C ATOM 1091 C LEU A 83 5.297 -3.755 3.430 1.00 0.00 C ATOM 1092 O LEU A 83 5.006 -2.560 3.373 1.00 0.00 O ATOM 1093 CB LEU A 83 3.955 -5.239 1.927 1.00 0.00 C ATOM 1094 CG LEU A 83 3.756 -5.837 0.533 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.838 -7.049 0.599 1.00 0.00 C ATOM 1096 CD2 LEU A 83 3.195 -4.791 -0.421 1.00 0.00 C ATOM 0 H LEU A 83 5.976 -6.577 2.483 1.00 0.00 H new ATOM 0 HA LEU A 83 5.579 -3.982 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.792 -6.021 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.191 -4.479 2.092 1.00 0.00 H new ATOM 0 HG LEU A 83 4.726 -6.161 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.708 -7.462 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.279 -7.805 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.868 -6.750 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.060 -5.234 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.234 -4.436 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.889 -3.953 -0.491 1.00 0.00 H new ATOM 1108 N VAL A 84 5.612 -4.370 4.571 1.00 0.00 N ATOM 1109 CA VAL A 84 5.629 -3.655 5.837 1.00 0.00 C ATOM 1110 C VAL A 84 6.762 -2.636 5.856 1.00 0.00 C ATOM 1111 O VAL A 84 6.630 -1.554 6.429 1.00 0.00 O ATOM 1112 CB VAL A 84 5.785 -4.621 7.031 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.819 -3.854 8.346 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.661 -5.649 7.033 1.00 0.00 C ATOM 0 H VAL A 84 5.857 -5.358 4.639 1.00 0.00 H new ATOM 0 HA VAL A 84 4.673 -3.140 5.934 1.00 0.00 H new ATOM 0 HB VAL A 84 6.733 -5.149 6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.929 -4.555 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.661 -3.162 8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.891 -3.295 8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.785 -6.323 7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.701 -5.139 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.691 -6.223 6.107 1.00 0.00 H new ATOM 1124 N LYS A 85 7.875 -2.984 5.214 1.00 0.00 N ATOM 1125 CA LYS A 85 9.025 -2.092 5.147 1.00 0.00 C ATOM 1126 C LYS A 85 8.734 -0.925 4.213 1.00 0.00 C ATOM 1127 O LYS A 85 8.933 0.239 4.569 1.00 0.00 O ATOM 1128 CB LYS A 85 10.263 -2.850 4.667 1.00 0.00 C ATOM 1129 CG LYS A 85 11.557 -2.368 5.304 1.00 0.00 C ATOM 1130 CD LYS A 85 12.120 -1.161 4.573 1.00 0.00 C ATOM 1131 CE LYS A 85 13.639 -1.131 4.636 1.00 0.00 C ATOM 1132 NZ LYS A 85 14.190 0.159 4.137 1.00 0.00 N ATOM 0 H LYS A 85 8.003 -3.875 4.735 1.00 0.00 H new ATOM 0 HA LYS A 85 9.219 -1.704 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.135 -3.911 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.342 -2.751 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.377 -2.111 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.290 -3.174 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.798 -1.182 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.718 -0.248 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.963 -1.290 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.043 -1.952 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.228 0.139 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.902 0.300 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.825 0.940 4.718 1.00 0.00 H new ATOM 1146 N SER A 86 8.243 -1.245 3.020 1.00 0.00 N ATOM 1147 CA SER A 86 7.908 -0.226 2.036 1.00 0.00 C ATOM 1148 C SER A 86 6.788 0.662 2.560 1.00 0.00 C ATOM 1149 O SER A 86 6.820 1.884 2.403 1.00 0.00 O ATOM 1150 CB SER A 86 7.488 -0.876 0.716 1.00 0.00 C ATOM 1151 OG SER A 86 8.547 -1.635 0.160 1.00 0.00 O ATOM 0 H SER A 86 8.069 -2.202 2.713 1.00 0.00 H new ATOM 0 HA SER A 86 8.791 0.387 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.624 -1.520 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.179 -0.105 0.010 1.00 0.00 H new ATOM 0 HG SER A 86 8.561 -2.526 0.569 1.00 0.00 H new ATOM 1157 N SER A 87 5.801 0.039 3.193 1.00 0.00 N ATOM 1158 CA SER A 87 4.673 0.767 3.756 1.00 0.00 C ATOM 1159 C SER A 87 5.148 1.714 4.852 1.00 0.00 C ATOM 1160 O SER A 87 4.816 2.897 4.850 1.00 0.00 O ATOM 1161 CB SER A 87 3.635 -0.207 4.317 1.00 0.00 C ATOM 1162 OG SER A 87 2.424 0.461 4.626 1.00 0.00 O ATOM 0 H SER A 87 5.760 -0.971 3.329 1.00 0.00 H new ATOM 0 HA SER A 87 4.210 1.353 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.443 -0.997 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.029 -0.686 5.213 1.00 0.00 H new ATOM 0 HG SER A 87 1.776 -0.183 4.981 1.00 0.00 H new ATOM 1168 N GLU A 88 5.937 1.183 5.782 1.00 0.00 N ATOM 1169 CA GLU A 88 6.468 1.980 6.884 1.00 0.00 C ATOM 1170 C GLU A 88 7.120 3.254 6.358 1.00 0.00 C ATOM 1171 O GLU A 88 6.940 4.336 6.919 1.00 0.00 O ATOM 1172 CB GLU A 88 7.487 1.170 7.687 1.00 0.00 C ATOM 1173 CG GLU A 88 6.858 0.278 8.745 1.00 0.00 C ATOM 1174 CD GLU A 88 7.875 -0.606 9.441 1.00 0.00 C ATOM 1175 OE1 GLU A 88 9.033 -0.169 9.599 1.00 0.00 O ATOM 1176 OE2 GLU A 88 7.510 -1.739 9.825 1.00 0.00 O ATOM 0 H GLU A 88 6.223 0.204 5.795 1.00 0.00 H new ATOM 0 HA GLU A 88 5.639 2.253 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.069 0.553 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.184 1.855 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.354 0.899 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.095 -0.347 8.281 1.00 0.00 H new ATOM 1183 N ASP A 89 7.871 3.117 5.272 1.00 0.00 N ATOM 1184 CA ASP A 89 8.546 4.254 4.661 1.00 0.00 C ATOM 1185 C ASP A 89 7.536 5.184 3.993 1.00 0.00 C ATOM 1186 O ASP A 89 7.760 6.390 3.895 1.00 0.00 O ATOM 1187 CB ASP A 89 9.573 3.774 3.635 1.00 0.00 C ATOM 1188 CG ASP A 89 10.856 3.291 4.283 1.00 0.00 C ATOM 1189 OD1 ASP A 89 11.636 4.143 4.760 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.081 2.064 4.314 1.00 0.00 O ATOM 0 H ASP A 89 8.028 2.228 4.796 1.00 0.00 H new ATOM 0 HA ASP A 89 9.062 4.807 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.142 2.966 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.801 4.587 2.946 1.00 0.00 H new ATOM 1195 N LEU A 90 6.425 4.613 3.535 1.00 0.00 N ATOM 1196 CA LEU A 90 5.383 5.391 2.875 1.00 0.00 C ATOM 1197 C LEU A 90 4.699 6.332 3.860 1.00 0.00 C ATOM 1198 O LEU A 90 4.549 7.523 3.593 1.00 0.00 O ATOM 1199 CB LEU A 90 4.351 4.462 2.233 1.00 0.00 C ATOM 1200 CG LEU A 90 3.147 5.166 1.602 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.690 4.425 0.355 1.00 0.00 C ATOM 1202 CD2 LEU A 90 2.010 5.275 2.606 1.00 0.00 C ATOM 0 H LEU A 90 6.224 3.616 3.609 1.00 0.00 H new ATOM 0 HA LEU A 90 5.852 5.992 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.848 3.868 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.990 3.767 2.991 1.00 0.00 H new ATOM 0 HG LEU A 90 3.448 6.173 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.833 4.939 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.503 4.397 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.405 3.407 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.162 5.778 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.710 4.277 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.342 5.848 3.471 1.00 0.00 H new ATOM 1214 N LEU A 91 4.294 5.792 5.004 1.00 0.00 N ATOM 1215 CA LEU A 91 3.636 6.595 6.029 1.00 0.00 C ATOM 1216 C LEU A 91 4.579 7.682 6.515 1.00 0.00 C ATOM 1217 O LEU A 91 4.202 8.850 6.625 1.00 0.00 O ATOM 1218 CB LEU A 91 3.194 5.731 7.212 1.00 0.00 C ATOM 1219 CG LEU A 91 2.702 4.338 6.840 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.388 3.530 8.091 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.481 4.425 5.938 1.00 0.00 C ATOM 0 H LEU A 91 4.409 4.807 5.245 1.00 0.00 H new ATOM 0 HA LEU A 91 2.749 7.048 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.031 5.632 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.399 6.251 7.746 1.00 0.00 H new ATOM 0 HG LEU A 91 3.495 3.829 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.038 2.538 7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.288 3.436 8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.613 4.036 8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.145 3.420 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.682 4.954 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.740 4.963 5.026 1.00 0.00 H new ATOM 1233 N SER A 92 5.815 7.286 6.794 1.00 0.00 N ATOM 1234 CA SER A 92 6.832 8.221 7.257 1.00 0.00 C ATOM 1235 C SER A 92 6.975 9.380 6.278 1.00 0.00 C ATOM 1236 O SER A 92 7.077 10.540 6.680 1.00 0.00 O ATOM 1237 CB SER A 92 8.176 7.509 7.430 1.00 0.00 C ATOM 1238 OG SER A 92 8.863 7.409 6.195 1.00 0.00 O ATOM 0 H SER A 92 6.137 6.322 6.707 1.00 0.00 H new ATOM 0 HA SER A 92 6.520 8.616 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.790 8.053 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.013 6.513 7.841 1.00 0.00 H new ATOM 0 HG SER A 92 8.287 6.971 5.535 1.00 0.00 H new ATOM 1244 N ALA A 93 6.968 9.058 4.989 1.00 0.00 N ATOM 1245 CA ALA A 93 7.083 10.072 3.950 1.00 0.00 C ATOM 1246 C ALA A 93 5.883 11.010 3.990 1.00 0.00 C ATOM 1247 O ALA A 93 6.032 12.233 3.957 1.00 0.00 O ATOM 1248 CB ALA A 93 7.204 9.418 2.583 1.00 0.00 C ATOM 0 H ALA A 93 6.884 8.103 4.640 1.00 0.00 H new ATOM 0 HA ALA A 93 7.984 10.657 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.289 10.189 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.091 8.784 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.319 8.811 2.390 1.00 0.00 H new ATOM 1254 N LEU A 94 4.691 10.426 4.070 1.00 0.00 N ATOM 1255 CA LEU A 94 3.463 11.205 4.127 1.00 0.00 C ATOM 1256 C LEU A 94 3.477 12.133 5.336 1.00 0.00 C ATOM 1257 O LEU A 94 3.143 13.312 5.232 1.00 0.00 O ATOM 1258 CB LEU A 94 2.245 10.281 4.190 1.00 0.00 C ATOM 1259 CG LEU A 94 1.695 9.843 2.832 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.044 8.474 2.937 1.00 0.00 C ATOM 1261 CD2 LEU A 94 0.703 10.869 2.304 1.00 0.00 C ATOM 0 H LEU A 94 4.552 9.416 4.097 1.00 0.00 H new ATOM 0 HA LEU A 94 3.398 11.809 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.512 9.392 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.452 10.787 4.740 1.00 0.00 H new ATOM 0 HG LEU A 94 2.525 9.774 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.658 8.179 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.782 7.745 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.224 8.515 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.321 10.542 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.125 10.969 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.201 11.832 2.191 1.00 0.00 H new ATOM 1273 N GLN A 95 3.882 11.591 6.480 1.00 0.00 N ATOM 1274 CA GLN A 95 3.957 12.372 7.710 1.00 0.00 C ATOM 1275 C GLN A 95 4.838 13.597 7.506 1.00 0.00 C ATOM 1276 O GLN A 95 4.529 14.686 7.991 1.00 0.00 O ATOM 1277 CB GLN A 95 4.502 11.515 8.856 1.00 0.00 C ATOM 1278 CG GLN A 95 3.420 10.804 9.652 1.00 0.00 C ATOM 1279 CD GLN A 95 3.262 9.350 9.252 1.00 0.00 C ATOM 1280 OE1 GLN A 95 4.185 8.550 9.398 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.086 9.000 8.745 1.00 0.00 N ATOM 0 H GLN A 95 4.163 10.616 6.581 1.00 0.00 H new ATOM 0 HA GLN A 95 2.952 12.703 7.970 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.189 10.773 8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.080 12.148 9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.659 10.861 10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.471 11.321 9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.348 9.696 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.921 8.035 8.459 1.00 0.00 H new ATOM 1290 N LYS A 96 5.928 13.416 6.770 1.00 0.00 N ATOM 1291 CA LYS A 96 6.838 14.514 6.484 1.00 0.00 C ATOM 1292 C LYS A 96 6.149 15.536 5.587 1.00 0.00 C ATOM 1293 O LYS A 96 6.427 16.734 5.660 1.00 0.00 O ATOM 1294 CB LYS A 96 8.109 13.996 5.810 1.00 0.00 C ATOM 1295 CG LYS A 96 8.725 12.796 6.514 1.00 0.00 C ATOM 1296 CD LYS A 96 10.068 13.141 7.141 1.00 0.00 C ATOM 1297 CE LYS A 96 9.940 13.365 8.639 1.00 0.00 C ATOM 1298 NZ LYS A 96 9.737 12.088 9.377 1.00 0.00 N ATOM 0 H LYS A 96 6.201 12.522 6.362 1.00 0.00 H new ATOM 0 HA LYS A 96 7.116 14.992 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.879 13.724 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.843 14.800 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.044 12.438 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.855 11.982 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.777 12.335 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.471 14.038 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.838 13.860 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.103 14.035 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.857 12.253 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.778 11.731 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.434 11.387 9.056 1.00 0.00 H new ATOM 1312 N LYS A 97 5.239 15.049 4.746 1.00 0.00 N ATOM 1313 CA LYS A 97 4.497 15.912 3.833 1.00 0.00 C ATOM 1314 C LYS A 97 3.536 16.816 4.597 1.00 0.00 C ATOM 1315 O LYS A 97 3.565 18.036 4.443 1.00 0.00 O ATOM 1316 CB LYS A 97 3.724 15.072 2.815 1.00 0.00 C ATOM 1317 CG LYS A 97 4.607 14.140 2.000 1.00 0.00 C ATOM 1318 CD LYS A 97 4.080 13.966 0.584 1.00 0.00 C ATOM 1319 CE LYS A 97 4.996 13.081 -0.245 1.00 0.00 C ATOM 1320 NZ LYS A 97 4.707 13.193 -1.701 1.00 0.00 N ATOM 0 H LYS A 97 4.998 14.060 4.679 1.00 0.00 H new ATOM 0 HA LYS A 97 5.215 16.539 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.973 14.481 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.190 15.738 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.622 14.537 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.662 13.168 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.082 13.529 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.985 14.942 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.034 13.357 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.881 12.044 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.537 12.880 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.891 12.594 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.491 14.183 -1.937 1.00 0.00 H new ATOM 1334 N LYS A 98 2.687 16.212 5.423 1.00 0.00 N ATOM 1335 CA LYS A 98 1.724 16.976 6.208 1.00 0.00 C ATOM 1336 C LYS A 98 2.435 17.860 7.224 1.00 0.00 C ATOM 1337 O LYS A 98 2.014 18.987 7.485 1.00 0.00 O ATOM 1338 CB LYS A 98 0.737 16.050 6.921 1.00 0.00 C ATOM 1339 CG LYS A 98 1.389 14.870 7.621 1.00 0.00 C ATOM 1340 CD LYS A 98 0.746 13.557 7.207 1.00 0.00 C ATOM 1341 CE LYS A 98 0.514 12.643 8.401 1.00 0.00 C ATOM 1342 NZ LYS A 98 -0.935 12.429 8.663 1.00 0.00 N ATOM 0 H LYS A 98 2.646 15.203 5.565 1.00 0.00 H new ATOM 0 HA LYS A 98 1.166 17.611 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.177 16.630 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.017 15.675 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.453 14.847 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.305 14.994 8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.204 13.757 6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.384 13.053 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.996 11.682 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.983 13.075 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.050 11.801 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.391 13.343 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.378 11.993 7.829 1.00 0.00 H new ATOM 1356 N GLN A 99 3.520 17.342 7.792 1.00 0.00 N ATOM 1357 CA GLN A 99 4.295 18.085 8.777 1.00 0.00 C ATOM 1358 C GLN A 99 4.818 19.388 8.179 1.00 0.00 C ATOM 1359 O GLN A 99 4.783 20.436 8.822 1.00 0.00 O ATOM 1360 CB GLN A 99 5.461 17.237 9.288 1.00 0.00 C ATOM 1361 CG GLN A 99 5.095 16.341 10.460 1.00 0.00 C ATOM 1362 CD GLN A 99 6.286 15.578 11.005 1.00 0.00 C ATOM 1363 OE1 GLN A 99 6.832 15.923 12.052 1.00 0.00 O ATOM 1364 NE2 GLN A 99 6.694 14.532 10.294 1.00 0.00 N ATOM 0 H GLN A 99 3.881 16.411 7.586 1.00 0.00 H new ATOM 0 HA GLN A 99 3.641 18.325 9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.835 16.619 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.276 17.897 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.662 16.948 11.255 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.328 15.633 10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.211 14.282 9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.490 13.979 10.611 1.00 0.00 H new ATOM 1373 N GLN A 100 5.298 19.311 6.943 1.00 0.00 N ATOM 1374 CA GLN A 100 5.823 20.484 6.254 1.00 0.00 C ATOM 1375 C GLN A 100 4.687 21.353 5.727 1.00 0.00 C ATOM 1376 O GLN A 100 4.668 22.566 5.937 1.00 0.00 O ATOM 1377 CB GLN A 100 6.734 20.059 5.100 1.00 0.00 C ATOM 1378 CG GLN A 100 8.094 19.556 5.553 1.00 0.00 C ATOM 1379 CD GLN A 100 8.768 18.684 4.511 1.00 0.00 C ATOM 1380 OE1 GLN A 100 9.286 19.179 3.511 1.00 0.00 O ATOM 1381 NE2 GLN A 100 8.763 17.376 4.742 1.00 0.00 N ATOM 0 H GLN A 100 5.334 18.450 6.398 1.00 0.00 H new ATOM 0 HA GLN A 100 6.404 21.067 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.239 19.276 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.874 20.906 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.736 20.408 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.979 18.989 6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.322 17.009 5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.201 16.739 4.076 1.00 0.00 H new ATOM 1390 N GLU A 101 3.737 20.722 5.043 1.00 0.00 N ATOM 1391 CA GLU A 101 2.591 21.433 4.487 1.00 0.00 C ATOM 1392 C GLU A 101 1.696 21.970 5.599 1.00 0.00 C ATOM 1393 O GLU A 101 2.046 21.897 6.777 1.00 0.00 O ATOM 1394 CB GLU A 101 1.791 20.509 3.567 1.00 0.00 C ATOM 1395 CG GLU A 101 2.160 20.643 2.098 1.00 0.00 C ATOM 1396 CD GLU A 101 1.379 21.736 1.396 1.00 0.00 C ATOM 1397 OE1 GLU A 101 0.185 21.914 1.721 1.00 0.00 O ATOM 1398 OE2 GLU A 101 1.959 22.415 0.523 1.00 0.00 O ATOM 0 H GLU A 101 3.739 19.718 4.860 1.00 0.00 H new ATOM 0 HA GLU A 101 2.961 22.277 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.946 19.476 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.729 20.722 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.226 20.852 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.981 19.693 1.594 1.00 0.00 H new ATOM 1405 N GLU A 102 0.540 22.505 5.221 1.00 0.00 N ATOM 1406 CA GLU A 102 -0.399 23.051 6.190 1.00 0.00 C ATOM 1407 C GLU A 102 -1.045 21.936 7.005 1.00 0.00 C ATOM 1408 O GLU A 102 -1.517 20.943 6.454 1.00 0.00 O ATOM 1409 CB GLU A 102 -1.478 23.872 5.481 1.00 0.00 C ATOM 1410 CG GLU A 102 -2.151 23.132 4.335 1.00 0.00 C ATOM 1411 CD GLU A 102 -2.091 23.900 3.029 1.00 0.00 C ATOM 1412 OE1 GLU A 102 -0.978 24.296 2.624 1.00 0.00 O ATOM 1413 OE2 GLU A 102 -3.156 24.105 2.410 1.00 0.00 O ATOM 0 H GLU A 102 0.232 22.571 4.251 1.00 0.00 H new ATOM 0 HA GLU A 102 0.153 23.701 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.236 24.166 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.032 24.790 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.673 22.161 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.193 22.942 4.593 1.00 0.00 H new ATOM 1420 N GLU A 103 -1.067 22.115 8.320 1.00 0.00 N ATOM 1421 CA GLU A 103 -1.659 21.130 9.220 1.00 0.00 C ATOM 1422 C GLU A 103 -3.167 21.328 9.337 1.00 0.00 C ATOM 1423 O GLU A 103 -3.833 20.646 10.115 1.00 0.00 O ATOM 1424 CB GLU A 103 -1.022 21.231 10.604 1.00 0.00 C ATOM 1425 CG GLU A 103 0.475 21.485 10.566 1.00 0.00 C ATOM 1426 CD GLU A 103 1.228 20.686 11.613 1.00 0.00 C ATOM 1427 OE1 GLU A 103 1.352 19.454 11.444 1.00 0.00 O ATOM 1428 OE2 GLU A 103 1.696 21.292 12.599 1.00 0.00 O ATOM 0 H GLU A 103 -0.681 22.935 8.789 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.471 20.141 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.505 22.035 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.212 20.307 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.858 21.233 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.664 22.547 10.720 1.00 0.00 H new TER 1435 GLU A 103