USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 797 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 119 GLN : amide:sc= -0.082 X(o=0.28,f=0.27) USER MOD Set 1.2: A 123 THR OG1 : rot 69:sc= 0.36 USER MOD Single : A 33 GLN : amide:sc=-0.000206 X(o=-0.00021,f=0) USER MOD Single : A 42 THR OG1 : rot 160:sc= 0.365 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -160:sc= -4.89! (180deg=-5.81!) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -0.362 (180deg=-1.07) USER MOD Single : A 61 CYS SG : rot -71:sc= -1.7 USER MOD Single : A 65 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.873 F(o=-7.4!,f=-0.87) USER MOD Single : A 71 SER OG : rot 61:sc= -3.43! USER MOD Single : A 73 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.094) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.037 (180deg=-0.272) USER MOD Single : A 76 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.058) USER MOD Single : A 80 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.071) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.188 F(o=-2.9!,f=-0.19) USER MOD Single : A 83 HIS : +bothHN:sc= -0.144 K(o=-0.14,f=-3.4) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.509! C(o=-0.51!,f=-4.3!) USER MOD Single : A 90 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.0003) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Single : A 98 TYR OH : rot -165:sc= 0.0503 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.0044) USER MOD Single : A 109 ASN : amide:sc= -0.807 K(o=-0.81,f=-6!) USER MOD Single : A 114 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.3!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -2.87! C(o=-2.9!,f=-8.6!) USER MOD Single : A 117 HIS : no HD1:sc= 0.244 K(o=0.24,f=-2.2!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 75:sc= 0.675 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -5.358 -2.511 -14.181 1.00 0.00 N ATOM 105 CA GLN A 33 -6.311 -1.669 -13.474 1.00 0.00 C ATOM 106 C GLN A 33 -5.706 -1.139 -12.179 1.00 0.00 C ATOM 107 O GLN A 33 -5.853 0.037 -11.850 1.00 0.00 O ATOM 108 CB GLN A 33 -7.587 -2.456 -13.176 1.00 0.00 C ATOM 109 CG GLN A 33 -8.638 -1.645 -12.443 1.00 0.00 C ATOM 110 CD GLN A 33 -9.893 -2.444 -12.151 1.00 0.00 C ATOM 111 OE1 GLN A 33 -9.845 -3.466 -11.467 1.00 0.00 O ATOM 112 NE2 GLN A 33 -11.024 -1.981 -12.671 1.00 0.00 N ATOM 0 HA GLN A 33 -6.558 -0.819 -14.110 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.008 -2.820 -14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.334 -3.332 -12.579 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.220 -1.277 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.899 -0.771 -13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.016 -1.129 -13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.900 -2.477 -12.509 1.00 0.00 H new ATOM 121 N LEU A 34 -5.028 -2.019 -11.449 1.00 0.00 N ATOM 122 CA LEU A 34 -4.397 -1.651 -10.187 1.00 0.00 C ATOM 123 C LEU A 34 -3.335 -0.575 -10.397 1.00 0.00 C ATOM 124 O LEU A 34 -3.243 0.381 -9.627 1.00 0.00 O ATOM 125 CB LEU A 34 -3.760 -2.882 -9.537 1.00 0.00 C ATOM 126 CG LEU A 34 -4.725 -4.024 -9.213 1.00 0.00 C ATOM 127 CD1 LEU A 34 -3.962 -5.234 -8.697 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.762 -3.577 -8.195 1.00 0.00 C ATOM 0 H LEU A 34 -4.901 -2.996 -11.712 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.169 -1.251 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.983 -3.262 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.268 -2.572 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.243 -4.306 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.663 -6.037 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.257 -5.571 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.418 -4.962 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.439 -4.403 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.261 -3.268 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.330 -2.739 -8.599 1.00 0.00 H new ATOM 140 N ARG A 35 -2.527 -0.749 -11.438 1.00 0.00 N ATOM 141 CA ARG A 35 -1.456 0.193 -11.748 1.00 0.00 C ATOM 142 C ARG A 35 -2.001 1.590 -12.043 1.00 0.00 C ATOM 143 O ARG A 35 -1.598 2.567 -11.414 1.00 0.00 O ATOM 144 CB ARG A 35 -0.649 -0.313 -12.947 1.00 0.00 C ATOM 145 CG ARG A 35 0.498 0.602 -13.342 1.00 0.00 C ATOM 146 CD ARG A 35 1.275 0.065 -14.539 1.00 0.00 C ATOM 147 NE ARG A 35 1.938 -1.209 -14.255 1.00 0.00 N ATOM 148 CZ ARG A 35 1.334 -2.394 -14.308 1.00 0.00 C ATOM 149 NH1 ARG A 35 0.071 -2.487 -14.702 1.00 0.00 N ATOM 150 NH2 ARG A 35 2.003 -3.494 -13.985 1.00 0.00 N ATOM 0 H ARG A 35 -2.594 -1.536 -12.083 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.810 0.264 -10.873 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.251 -1.301 -12.715 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.318 -0.431 -13.800 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.107 1.591 -13.579 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.174 0.721 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.595 -0.064 -15.381 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.022 0.799 -14.842 1.00 0.00 H new ATOM 0 HE ARG A 35 2.925 -1.187 -14.000 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.444 -1.647 -14.967 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.386 -3.398 -14.740 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.979 -3.431 -13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.541 -4.402 -14.025 1.00 0.00 H new ATOM 164 N VAL A 36 -2.911 1.679 -13.007 1.00 0.00 N ATOM 165 CA VAL A 36 -3.500 2.959 -13.392 1.00 0.00 C ATOM 166 C VAL A 36 -4.263 3.602 -12.236 1.00 0.00 C ATOM 167 O VAL A 36 -4.241 4.820 -12.067 1.00 0.00 O ATOM 168 CB VAL A 36 -4.453 2.793 -14.593 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.076 4.129 -14.974 1.00 0.00 C ATOM 170 CG2 VAL A 36 -3.717 2.186 -15.777 1.00 0.00 C ATOM 0 H VAL A 36 -3.258 0.880 -13.537 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.673 3.611 -13.672 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.255 2.114 -14.303 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.745 3.990 -15.823 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.640 4.522 -14.128 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.289 4.834 -15.244 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.405 2.076 -16.615 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.893 2.838 -16.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.325 1.208 -15.499 1.00 0.00 H new ATOM 180 N TRP A 37 -4.948 2.776 -11.454 1.00 0.00 N ATOM 181 CA TRP A 37 -5.735 3.257 -10.322 1.00 0.00 C ATOM 182 C TRP A 37 -4.886 4.027 -9.305 1.00 0.00 C ATOM 183 O TRP A 37 -5.046 5.238 -9.147 1.00 0.00 O ATOM 184 CB TRP A 37 -6.448 2.069 -9.650 1.00 0.00 C ATOM 185 CG TRP A 37 -6.674 2.223 -8.171 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.044 3.354 -7.498 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.543 1.195 -7.180 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.119 3.097 -6.151 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.829 1.778 -5.932 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.208 -0.160 -7.228 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.789 1.053 -4.744 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.171 -0.879 -6.049 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.461 -0.271 -4.821 1.00 0.00 C ATOM 0 H TRP A 37 -4.975 1.765 -11.583 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.475 3.960 -10.704 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.412 1.919 -10.137 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.861 1.167 -9.821 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.248 4.310 -7.958 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.353 3.779 -5.430 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.982 -0.637 -8.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.009 1.520 -3.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.914 -1.928 -6.075 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.425 -0.861 -3.917 1.00 0.00 H new ATOM 204 N ILE A 38 -4.020 3.318 -8.593 1.00 0.00 N ATOM 205 CA ILE A 38 -3.190 3.935 -7.563 1.00 0.00 C ATOM 206 C ILE A 38 -2.216 4.966 -8.134 1.00 0.00 C ATOM 207 O ILE A 38 -2.107 6.073 -7.606 1.00 0.00 O ATOM 208 CB ILE A 38 -2.421 2.867 -6.765 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.403 1.886 -6.121 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.540 3.516 -5.707 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.736 0.728 -5.413 1.00 0.00 C ATOM 0 H ILE A 38 -3.873 2.315 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.869 4.463 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.776 2.317 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.025 2.426 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.068 1.494 -6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.005 2.743 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.822 4.180 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.161 4.090 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.497 0.077 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.136 0.162 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.093 1.108 -4.619 1.00 0.00 H new ATOM 223 N GLU A 39 -1.513 4.616 -9.209 1.00 0.00 N ATOM 224 CA GLU A 39 -0.564 5.546 -9.820 1.00 0.00 C ATOM 225 C GLU A 39 -1.274 6.823 -10.258 1.00 0.00 C ATOM 226 O GLU A 39 -0.796 7.930 -10.004 1.00 0.00 O ATOM 227 CB GLU A 39 0.139 4.908 -11.021 1.00 0.00 C ATOM 228 CG GLU A 39 1.102 3.794 -10.647 1.00 0.00 C ATOM 229 CD GLU A 39 1.786 3.186 -11.857 1.00 0.00 C ATOM 230 OE1 GLU A 39 1.526 3.655 -12.985 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.581 2.240 -11.678 1.00 0.00 O ATOM 0 H GLU A 39 -1.580 3.709 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 39 0.187 5.793 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.614 4.511 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.684 5.680 -11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.857 4.185 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.560 3.015 -10.110 1.00 0.00 H new ATOM 238 N GLY A 40 -2.419 6.658 -10.911 1.00 0.00 N ATOM 239 CA GLY A 40 -3.186 7.800 -11.371 1.00 0.00 C ATOM 240 C GLY A 40 -3.663 8.671 -10.226 1.00 0.00 C ATOM 241 O GLY A 40 -3.766 9.890 -10.365 1.00 0.00 O ATOM 0 H GLY A 40 -2.830 5.751 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.575 8.397 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.046 7.451 -11.942 1.00 0.00 H new ATOM 245 N ALA A 41 -3.961 8.038 -9.093 1.00 0.00 N ATOM 246 CA ALA A 41 -4.437 8.753 -7.915 1.00 0.00 C ATOM 247 C ALA A 41 -3.513 9.912 -7.556 1.00 0.00 C ATOM 248 O ALA A 41 -3.961 11.044 -7.377 1.00 0.00 O ATOM 249 CB ALA A 41 -4.559 7.795 -6.737 1.00 0.00 C ATOM 0 H ALA A 41 -3.880 7.029 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.419 9.167 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.915 8.338 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.265 7.002 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.584 7.358 -6.521 1.00 0.00 H new ATOM 255 N THR A 42 -2.221 9.622 -7.455 1.00 0.00 N ATOM 256 CA THR A 42 -1.232 10.637 -7.120 1.00 0.00 C ATOM 257 C THR A 42 -0.550 11.181 -8.371 1.00 0.00 C ATOM 258 O THR A 42 -1.026 12.134 -8.988 1.00 0.00 O ATOM 259 CB THR A 42 -0.167 10.076 -6.155 1.00 0.00 C ATOM 260 OG1 THR A 42 0.351 8.841 -6.659 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.758 9.858 -4.771 1.00 0.00 C ATOM 0 H THR A 42 -1.834 8.690 -7.601 1.00 0.00 H new ATOM 0 HA THR A 42 -1.763 11.452 -6.628 1.00 0.00 H new ATOM 0 HB THR A 42 0.643 10.802 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.218 8.655 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.009 9.462 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.124 10.806 -4.378 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.583 9.149 -4.835 1.00 0.00 H new ATOM 269 N GLY A 43 0.570 10.568 -8.731 1.00 0.00 N ATOM 270 CA GLY A 43 1.318 10.989 -9.897 1.00 0.00 C ATOM 271 C GLY A 43 2.715 10.409 -9.889 1.00 0.00 C ATOM 272 O GLY A 43 3.686 11.097 -10.203 1.00 0.00 O ATOM 0 H GLY A 43 0.976 9.778 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.796 10.674 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.373 12.077 -9.924 1.00 0.00 H new ATOM 276 N ARG A 44 2.811 9.140 -9.510 1.00 0.00 N ATOM 277 CA ARG A 44 4.093 8.454 -9.436 1.00 0.00 C ATOM 278 C ARG A 44 3.984 7.046 -10.009 1.00 0.00 C ATOM 279 O ARG A 44 3.090 6.284 -9.639 1.00 0.00 O ATOM 280 CB ARG A 44 4.553 8.367 -7.981 1.00 0.00 C ATOM 281 CG ARG A 44 4.529 9.692 -7.238 1.00 0.00 C ATOM 282 CD ARG A 44 5.599 10.630 -7.757 1.00 0.00 C ATOM 283 NE ARG A 44 5.499 11.962 -7.167 1.00 0.00 N ATOM 284 CZ ARG A 44 6.324 12.963 -7.463 1.00 0.00 C ATOM 285 NH1 ARG A 44 7.305 12.783 -8.336 1.00 0.00 N ATOM 286 NH2 ARG A 44 6.166 14.146 -6.884 1.00 0.00 N ATOM 0 H ARG A 44 2.011 8.564 -9.248 1.00 0.00 H new ATOM 0 HA ARG A 44 4.818 9.021 -10.020 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.917 7.656 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.567 7.968 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.549 10.157 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.680 9.517 -6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.582 10.212 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.517 10.708 -8.841 1.00 0.00 H new ATOM 0 HE ARG A 44 4.755 12.135 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.429 11.875 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.936 13.553 -8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.412 14.288 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.798 14.913 -7.111 1.00 0.00 H new ATOM 300 N ARG A 45 4.901 6.702 -10.903 1.00 0.00 N ATOM 301 CA ARG A 45 4.908 5.381 -11.514 1.00 0.00 C ATOM 302 C ARG A 45 5.639 4.380 -10.624 1.00 0.00 C ATOM 303 O ARG A 45 6.737 4.656 -10.138 1.00 0.00 O ATOM 304 CB ARG A 45 5.569 5.437 -12.892 1.00 0.00 C ATOM 305 CG ARG A 45 4.874 6.379 -13.864 1.00 0.00 C ATOM 306 CD ARG A 45 3.444 5.943 -14.143 1.00 0.00 C ATOM 307 NE ARG A 45 2.766 6.842 -15.074 1.00 0.00 N ATOM 308 CZ ARG A 45 3.149 7.030 -16.334 1.00 0.00 C ATOM 309 NH1 ARG A 45 4.192 6.371 -16.822 1.00 0.00 N ATOM 310 NH2 ARG A 45 2.485 7.875 -17.110 1.00 0.00 N ATOM 0 H ARG A 45 5.649 7.319 -11.221 1.00 0.00 H new ATOM 0 HA ARG A 45 3.875 5.053 -11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.607 5.750 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.584 4.434 -13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.873 7.389 -13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.433 6.415 -14.799 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.447 4.933 -14.553 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.888 5.905 -13.206 1.00 0.00 H new ATOM 0 HE ARG A 45 1.951 7.356 -14.738 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.704 5.717 -16.230 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.482 6.519 -17.789 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.680 8.381 -16.741 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.779 8.019 -18.076 1.00 0.00 H new ATOM 324 N ILE A 46 5.027 3.219 -10.420 1.00 0.00 N ATOM 325 CA ILE A 46 5.622 2.175 -9.594 1.00 0.00 C ATOM 326 C ILE A 46 7.001 1.790 -10.121 1.00 0.00 C ATOM 327 O ILE A 46 7.932 1.562 -9.349 1.00 0.00 O ATOM 328 CB ILE A 46 4.724 0.925 -9.544 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.385 1.262 -8.884 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.420 -0.204 -8.798 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.389 0.128 -8.931 1.00 0.00 C ATOM 0 H ILE A 46 4.119 2.977 -10.816 1.00 0.00 H new ATOM 0 HA ILE A 46 5.722 2.574 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 46 4.534 0.592 -10.564 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.561 1.538 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.955 2.134 -9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.770 -1.079 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.350 -0.457 -9.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.639 0.114 -7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.463 0.436 -8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.184 -0.134 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.799 -0.738 -8.412 1.00 0.00 H new ATOM 343 N GLY A 47 7.124 1.732 -11.442 1.00 0.00 N ATOM 344 CA GLY A 47 8.392 1.389 -12.058 1.00 0.00 C ATOM 345 C GLY A 47 8.584 -0.102 -12.255 1.00 0.00 C ATOM 346 O GLY A 47 7.643 -0.819 -12.598 1.00 0.00 O ATOM 0 H GLY A 47 6.366 1.917 -12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.464 1.888 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.203 1.773 -11.440 1.00 0.00 H new ATOM 350 N ASP A 48 9.815 -0.564 -12.050 1.00 0.00 N ATOM 351 CA ASP A 48 10.149 -1.975 -12.220 1.00 0.00 C ATOM 352 C ASP A 48 9.430 -2.851 -11.198 1.00 0.00 C ATOM 353 O ASP A 48 9.422 -2.551 -10.004 1.00 0.00 O ATOM 354 CB ASP A 48 11.662 -2.176 -12.100 1.00 0.00 C ATOM 355 CG ASP A 48 12.436 -1.404 -13.152 1.00 0.00 C ATOM 356 OD1 ASP A 48 11.797 -0.718 -13.977 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.683 -1.487 -13.149 1.00 0.00 O ATOM 0 H ASP A 48 10.600 0.021 -11.765 1.00 0.00 H new ATOM 0 HA ASP A 48 9.818 -2.275 -13.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.990 -1.862 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.893 -3.238 -12.190 1.00 0.00 H new ATOM 362 N ASN A 49 8.840 -3.940 -11.686 1.00 0.00 N ATOM 363 CA ASN A 49 8.119 -4.888 -10.839 1.00 0.00 C ATOM 364 C ASN A 49 6.936 -4.229 -10.137 1.00 0.00 C ATOM 365 O ASN A 49 7.058 -3.151 -9.557 1.00 0.00 O ATOM 366 CB ASN A 49 9.058 -5.504 -9.801 1.00 0.00 C ATOM 367 CG ASN A 49 10.245 -6.201 -10.432 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.087 -7.106 -11.251 1.00 0.00 O ATOM 369 ND2 ASN A 49 11.445 -5.786 -10.044 1.00 0.00 N ATOM 0 H ASN A 49 8.848 -4.190 -12.675 1.00 0.00 H new ATOM 0 HA ASN A 49 7.734 -5.675 -11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.415 -4.723 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.503 -6.218 -9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.284 -6.221 -10.428 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.528 -5.032 -9.362 1.00 0.00 H new ATOM 376 N PHE A 50 5.789 -4.895 -10.191 1.00 0.00 N ATOM 377 CA PHE A 50 4.578 -4.391 -9.559 1.00 0.00 C ATOM 378 C PHE A 50 4.632 -4.586 -8.046 1.00 0.00 C ATOM 379 O PHE A 50 4.270 -3.693 -7.281 1.00 0.00 O ATOM 380 CB PHE A 50 3.352 -5.105 -10.137 1.00 0.00 C ATOM 381 CG PHE A 50 2.044 -4.625 -9.574 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.743 -3.272 -9.538 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.115 -5.528 -9.082 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.540 -2.831 -9.023 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.090 -5.091 -8.566 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.378 -3.741 -8.536 1.00 0.00 C ATOM 0 H PHE A 50 5.673 -5.789 -10.668 1.00 0.00 H new ATOM 0 HA PHE A 50 4.502 -3.323 -9.763 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.342 -4.970 -11.219 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.446 -6.175 -9.950 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.457 -2.556 -9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.335 -6.585 -9.102 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.317 -1.775 -9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.806 -5.805 -8.186 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.319 -3.397 -8.133 1.00 0.00 H new ATOM 396 N MET A 51 5.078 -5.767 -7.627 1.00 0.00 N ATOM 397 CA MET A 51 5.173 -6.099 -6.207 1.00 0.00 C ATOM 398 C MET A 51 6.324 -5.354 -5.538 1.00 0.00 C ATOM 399 O MET A 51 6.158 -4.763 -4.471 1.00 0.00 O ATOM 400 CB MET A 51 5.373 -7.605 -6.039 1.00 0.00 C ATOM 401 CG MET A 51 4.517 -8.433 -6.980 1.00 0.00 C ATOM 402 SD MET A 51 2.753 -8.131 -6.776 1.00 0.00 S ATOM 403 CE MET A 51 2.518 -8.687 -5.093 1.00 0.00 C ATOM 0 H MET A 51 5.381 -6.513 -8.253 1.00 0.00 H new ATOM 0 HA MET A 51 4.243 -5.793 -5.727 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.423 -7.846 -6.207 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.143 -7.883 -5.010 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.801 -8.213 -8.009 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.721 -9.491 -6.812 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.463 -8.904 -4.925 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.105 -9.589 -4.922 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.842 -7.907 -4.404 1.00 0.00 H new ATOM 413 N ASP A 52 7.493 -5.400 -6.170 1.00 0.00 N ATOM 414 CA ASP A 52 8.686 -4.742 -5.639 1.00 0.00 C ATOM 415 C ASP A 52 8.424 -3.270 -5.335 1.00 0.00 C ATOM 416 O ASP A 52 9.027 -2.700 -4.428 1.00 0.00 O ATOM 417 CB ASP A 52 9.847 -4.869 -6.626 1.00 0.00 C ATOM 418 CG ASP A 52 11.113 -4.207 -6.119 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.609 -4.618 -5.048 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.608 -3.279 -6.792 1.00 0.00 O ATOM 0 H ASP A 52 7.641 -5.887 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 52 8.949 -5.240 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.044 -5.924 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.562 -4.420 -7.578 1.00 0.00 H new ATOM 425 N GLY A 53 7.535 -2.653 -6.102 1.00 0.00 N ATOM 426 CA GLY A 53 7.224 -1.248 -5.894 1.00 0.00 C ATOM 427 C GLY A 53 6.320 -1.010 -4.696 1.00 0.00 C ATOM 428 O GLY A 53 6.518 -0.058 -3.940 1.00 0.00 O ATOM 0 H GLY A 53 7.023 -3.098 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.152 -0.693 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.744 -0.852 -6.789 1.00 0.00 H new ATOM 432 N LEU A 54 5.315 -1.864 -4.537 1.00 0.00 N ATOM 433 CA LEU A 54 4.356 -1.739 -3.440 1.00 0.00 C ATOM 434 C LEU A 54 5.021 -1.901 -2.073 1.00 0.00 C ATOM 435 O LEU A 54 4.726 -1.154 -1.140 1.00 0.00 O ATOM 436 CB LEU A 54 3.248 -2.783 -3.593 1.00 0.00 C ATOM 437 CG LEU A 54 2.494 -2.745 -4.923 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.433 -3.833 -4.967 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.866 -1.378 -5.144 1.00 0.00 C ATOM 0 H LEU A 54 5.141 -2.655 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 54 3.935 -0.735 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.685 -3.774 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.531 -2.649 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 54 3.208 -2.928 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.907 -3.790 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.907 -4.808 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.723 -3.682 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.334 -1.371 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.167 -1.164 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.646 -0.617 -5.159 1.00 0.00 H new ATOM 451 N LYS A 55 5.895 -2.894 -1.956 1.00 0.00 N ATOM 452 CA LYS A 55 6.579 -3.176 -0.695 1.00 0.00 C ATOM 453 C LYS A 55 7.283 -1.943 -0.126 1.00 0.00 C ATOM 454 O LYS A 55 7.208 -1.687 1.074 1.00 0.00 O ATOM 455 CB LYS A 55 7.570 -4.324 -0.883 1.00 0.00 C ATOM 456 CG LYS A 55 8.567 -4.085 -1.998 1.00 0.00 C ATOM 457 CD LYS A 55 9.350 -5.330 -2.333 1.00 0.00 C ATOM 458 CE LYS A 55 10.351 -5.645 -1.244 1.00 0.00 C ATOM 459 NZ LYS A 55 11.170 -4.455 -0.881 1.00 0.00 N ATOM 0 H LYS A 55 6.149 -3.520 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 55 5.821 -3.469 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.111 -4.483 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.017 -5.240 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.040 -3.738 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.255 -3.292 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.668 -6.171 -2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.869 -5.194 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.825 -6.007 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.007 -6.450 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.115 -4.764 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.259 -3.830 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.708 -3.939 -0.105 1.00 0.00 H new ATOM 473 N ASP A 56 7.960 -1.177 -0.977 1.00 0.00 N ATOM 474 CA ASP A 56 8.657 0.024 -0.517 1.00 0.00 C ATOM 475 C ASP A 56 7.688 0.961 0.198 1.00 0.00 C ATOM 476 O ASP A 56 8.037 1.590 1.197 1.00 0.00 O ATOM 477 CB ASP A 56 9.321 0.755 -1.685 1.00 0.00 C ATOM 478 CG ASP A 56 10.391 -0.077 -2.361 1.00 0.00 C ATOM 479 OD1 ASP A 56 10.094 -1.224 -2.749 1.00 0.00 O ATOM 480 OD2 ASP A 56 11.525 0.423 -2.510 1.00 0.00 O ATOM 0 H ASP A 56 8.042 -1.362 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 56 9.434 -0.287 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.561 1.027 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.763 1.684 -1.324 1.00 0.00 H new ATOM 485 N GLY A 57 6.470 1.042 -0.322 1.00 0.00 N ATOM 486 CA GLY A 57 5.456 1.894 0.270 1.00 0.00 C ATOM 487 C GLY A 57 5.769 3.371 0.132 1.00 0.00 C ATOM 488 O GLY A 57 6.656 3.893 0.808 1.00 0.00 O ATOM 0 H GLY A 57 6.165 0.529 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.495 1.686 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.354 1.647 1.327 1.00 0.00 H new ATOM 492 N VAL A 58 5.016 4.044 -0.735 1.00 0.00 N ATOM 493 CA VAL A 58 5.176 5.478 -0.975 1.00 0.00 C ATOM 494 C VAL A 58 3.890 6.039 -1.560 1.00 0.00 C ATOM 495 O VAL A 58 3.228 6.877 -0.955 1.00 0.00 O ATOM 496 CB VAL A 58 6.317 5.788 -1.968 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.480 7.292 -2.133 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.629 5.157 -1.529 1.00 0.00 C ATOM 0 H VAL A 58 4.278 3.612 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 58 5.417 5.934 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 58 6.047 5.353 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.288 7.495 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.552 7.719 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.717 7.740 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.408 5.397 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.910 5.546 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.510 4.075 -1.469 1.00 0.00 H new ATOM 508 N ILE A 59 3.540 5.550 -2.743 1.00 0.00 N ATOM 509 CA ILE A 59 2.331 5.974 -3.419 1.00 0.00 C ATOM 510 C ILE A 59 1.110 5.364 -2.746 1.00 0.00 C ATOM 511 O ILE A 59 0.075 6.013 -2.615 1.00 0.00 O ATOM 512 CB ILE A 59 2.353 5.578 -4.910 1.00 0.00 C ATOM 513 CG1 ILE A 59 3.337 6.452 -5.679 1.00 0.00 C ATOM 514 CG2 ILE A 59 0.964 5.688 -5.521 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.794 6.203 -5.359 1.00 0.00 C ATOM 0 H ILE A 59 4.084 4.854 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 59 2.278 7.061 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 59 2.677 4.540 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.183 6.295 -6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.109 7.498 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.005 5.404 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.280 5.024 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.610 6.715 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.417 6.871 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.971 6.390 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.046 5.168 -5.592 1.00 0.00 H new ATOM 527 N LEU A 60 1.243 4.111 -2.318 1.00 0.00 N ATOM 528 CA LEU A 60 0.153 3.413 -1.652 1.00 0.00 C ATOM 529 C LEU A 60 -0.287 4.179 -0.413 1.00 0.00 C ATOM 530 O LEU A 60 -1.481 4.371 -0.182 1.00 0.00 O ATOM 531 CB LEU A 60 0.580 1.997 -1.267 1.00 0.00 C ATOM 532 CG LEU A 60 1.048 1.124 -2.433 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.369 -0.280 -1.946 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.006 1.089 -3.531 1.00 0.00 C ATOM 0 H LEU A 60 2.096 3.561 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.687 3.349 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.386 2.063 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.257 1.502 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 60 1.957 1.558 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.701 -0.890 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.160 -0.233 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.477 -0.725 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.344 0.463 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.933 0.678 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.185 2.100 -3.896 1.00 0.00 H new ATOM 546 N CYS A 61 0.686 4.630 0.374 1.00 0.00 N ATOM 547 CA CYS A 61 0.391 5.393 1.577 1.00 0.00 C ATOM 548 C CYS A 61 -0.374 6.651 1.188 1.00 0.00 C ATOM 549 O CYS A 61 -1.273 7.100 1.899 1.00 0.00 O ATOM 550 CB CYS A 61 1.683 5.761 2.315 1.00 0.00 C ATOM 551 SG CYS A 61 2.493 7.258 1.705 1.00 0.00 S ATOM 0 H CYS A 61 1.680 4.480 0.199 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.217 4.787 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.458 5.890 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.381 4.928 2.237 1.00 0.00 H new ATOM 0 HG CYS A 61 3.008 7.026 0.534 1.00 0.00 H new ATOM 557 N GLU A 62 -0.002 7.200 0.037 1.00 0.00 N ATOM 558 CA GLU A 62 -0.631 8.397 -0.499 1.00 0.00 C ATOM 559 C GLU A 62 -2.046 8.099 -0.993 1.00 0.00 C ATOM 560 O GLU A 62 -2.949 8.922 -0.849 1.00 0.00 O ATOM 561 CB GLU A 62 0.219 8.956 -1.641 1.00 0.00 C ATOM 562 CG GLU A 62 1.602 9.406 -1.201 1.00 0.00 C ATOM 563 CD GLU A 62 2.407 10.010 -2.334 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.650 9.301 -3.334 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.796 11.192 -2.222 1.00 0.00 O ATOM 0 H GLU A 62 0.744 6.826 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.702 9.138 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.322 8.194 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.303 9.800 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.504 10.138 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.143 8.554 -0.790 1.00 0.00 H new ATOM 572 N LEU A 63 -2.228 6.916 -1.579 1.00 0.00 N ATOM 573 CA LEU A 63 -3.524 6.503 -2.098 1.00 0.00 C ATOM 574 C LEU A 63 -4.576 6.549 -0.998 1.00 0.00 C ATOM 575 O LEU A 63 -5.592 7.232 -1.124 1.00 0.00 O ATOM 576 CB LEU A 63 -3.405 5.091 -2.682 1.00 0.00 C ATOM 577 CG LEU A 63 -4.659 4.523 -3.354 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.710 4.134 -2.325 1.00 0.00 C ATOM 579 CD2 LEU A 63 -5.231 5.518 -4.353 1.00 0.00 C ATOM 0 H LEU A 63 -1.487 6.226 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.837 7.189 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.596 5.091 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.111 4.414 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.368 3.621 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.587 3.735 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.302 3.376 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.995 5.012 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.121 5.095 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.496 6.441 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.487 5.732 -5.120 1.00 0.00 H new ATOM 591 N ILE A 64 -4.318 5.828 0.086 1.00 0.00 N ATOM 592 CA ILE A 64 -5.237 5.800 1.215 1.00 0.00 C ATOM 593 C ILE A 64 -5.307 7.172 1.872 1.00 0.00 C ATOM 594 O ILE A 64 -6.338 7.565 2.410 1.00 0.00 O ATOM 595 CB ILE A 64 -4.817 4.752 2.264 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.822 4.709 3.413 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.419 5.044 2.783 1.00 0.00 C ATOM 598 CD1 ILE A 64 -7.210 4.279 2.991 1.00 0.00 C ATOM 0 H ILE A 64 -3.482 5.256 0.206 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.219 5.525 0.830 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.805 3.773 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.456 4.025 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.880 5.697 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.141 4.293 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.711 5.018 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.401 6.031 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.869 4.272 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.597 4.976 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.166 3.278 2.561 1.00 0.00 H new ATOM 610 N ASN A 65 -4.196 7.897 1.817 1.00 0.00 N ATOM 611 CA ASN A 65 -4.120 9.230 2.396 1.00 0.00 C ATOM 612 C ASN A 65 -5.200 10.134 1.810 1.00 0.00 C ATOM 613 O ASN A 65 -5.718 11.023 2.487 1.00 0.00 O ATOM 614 CB ASN A 65 -2.736 9.831 2.140 1.00 0.00 C ATOM 615 CG ASN A 65 -2.532 11.154 2.845 1.00 0.00 C ATOM 616 OD1 ASN A 65 -3.261 12.119 2.614 1.00 0.00 O ATOM 617 ND2 ASN A 65 -1.530 11.202 3.711 1.00 0.00 N ATOM 0 H ASN A 65 -3.333 7.581 1.375 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.283 9.151 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.972 9.127 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.598 9.971 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.336 12.065 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.953 10.376 3.869 1.00 0.00 H new ATOM 624 N LYS A 66 -5.531 9.898 0.545 1.00 0.00 N ATOM 625 CA LYS A 66 -6.537 10.677 -0.148 1.00 0.00 C ATOM 626 C LYS A 66 -7.938 10.304 0.321 1.00 0.00 C ATOM 627 O LYS A 66 -8.728 11.166 0.707 1.00 0.00 O ATOM 628 CB LYS A 66 -6.412 10.437 -1.649 1.00 0.00 C ATOM 629 CG LYS A 66 -5.051 10.788 -2.218 1.00 0.00 C ATOM 630 CD LYS A 66 -4.746 12.266 -2.062 1.00 0.00 C ATOM 631 CE LYS A 66 -3.428 12.627 -2.719 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.107 14.072 -2.568 1.00 0.00 N ATOM 0 H LYS A 66 -5.108 9.163 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.376 11.732 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.622 9.388 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.172 11.023 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.283 10.202 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.016 10.518 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.549 12.854 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.710 12.523 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.629 12.030 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.470 12.374 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.198 14.276 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.856 14.642 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.041 14.309 -1.558 1.00 0.00 H new ATOM 646 N LEU A 67 -8.238 9.011 0.279 1.00 0.00 N ATOM 647 CA LEU A 67 -9.543 8.512 0.692 1.00 0.00 C ATOM 648 C LEU A 67 -9.735 8.667 2.196 1.00 0.00 C ATOM 649 O LEU A 67 -10.672 9.326 2.649 1.00 0.00 O ATOM 650 CB LEU A 67 -9.686 7.041 0.298 1.00 0.00 C ATOM 651 CG LEU A 67 -9.410 6.737 -1.177 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.505 5.242 -1.438 1.00 0.00 C ATOM 653 CD2 LEU A 67 -10.377 7.500 -2.072 1.00 0.00 C ATOM 0 H LEU A 67 -7.592 8.288 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.310 9.099 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.005 6.449 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.697 6.713 0.538 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.397 7.064 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.306 5.043 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.771 4.718 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.506 4.891 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.165 7.271 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.400 7.206 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.260 8.571 -1.905 1.00 0.00 H new ATOM 665 N GLN A 68 -8.840 8.056 2.965 1.00 0.00 N ATOM 666 CA GLN A 68 -8.904 8.125 4.416 1.00 0.00 C ATOM 667 C GLN A 68 -8.117 9.325 4.942 1.00 0.00 C ATOM 668 O GLN A 68 -6.909 9.429 4.733 1.00 0.00 O ATOM 669 CB GLN A 68 -8.366 6.834 5.035 1.00 0.00 C ATOM 670 CG GLN A 68 -8.414 6.819 6.555 1.00 0.00 C ATOM 671 CD GLN A 68 -7.848 5.545 7.156 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.381 4.636 6.305 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.826 5.380 8.376 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.060 7.506 2.604 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.949 8.247 4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.942 5.991 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.335 6.688 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.857 7.674 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.447 6.940 6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.194 6.102 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.439 4.521 8.768 1.00 0.00 H new ATOM 682 N PRO A 69 -8.804 10.248 5.628 1.00 0.00 N ATOM 683 CA PRO A 69 -8.183 11.451 6.188 1.00 0.00 C ATOM 684 C PRO A 69 -6.966 11.145 7.061 1.00 0.00 C ATOM 685 O PRO A 69 -7.044 10.344 7.993 1.00 0.00 O ATOM 686 CB PRO A 69 -9.296 12.051 7.047 1.00 0.00 C ATOM 687 CG PRO A 69 -10.559 11.550 6.457 1.00 0.00 C ATOM 688 CD PRO A 69 -10.247 10.195 5.897 1.00 0.00 C ATOM 0 HA PRO A 69 -7.811 12.109 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.199 11.743 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.260 13.140 7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.344 11.489 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.918 12.221 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.493 9.404 6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.816 9.997 4.988 1.00 0.00 H new ATOM 696 N GLY A 70 -5.851 11.809 6.762 1.00 0.00 N ATOM 697 CA GLY A 70 -4.633 11.624 7.535 1.00 0.00 C ATOM 698 C GLY A 70 -4.211 10.172 7.678 1.00 0.00 C ATOM 699 O GLY A 70 -3.915 9.717 8.783 1.00 0.00 O ATOM 0 H GLY A 70 -5.770 12.475 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.825 12.182 7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.776 12.050 8.528 1.00 0.00 H new ATOM 703 N SER A 71 -4.171 9.444 6.566 1.00 0.00 N ATOM 704 CA SER A 71 -3.768 8.040 6.593 1.00 0.00 C ATOM 705 C SER A 71 -2.286 7.908 6.929 1.00 0.00 C ATOM 706 O SER A 71 -1.894 7.066 7.737 1.00 0.00 O ATOM 707 CB SER A 71 -4.054 7.374 5.248 1.00 0.00 C ATOM 708 OG SER A 71 -5.438 7.384 4.957 1.00 0.00 O ATOM 0 H SER A 71 -4.411 9.799 5.640 1.00 0.00 H new ATOM 0 HA SER A 71 -4.349 7.539 7.368 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.510 7.893 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.690 6.347 5.263 1.00 0.00 H new ATOM 0 HG SER A 71 -5.757 8.310 4.914 1.00 0.00 H new ATOM 714 N VAL A 72 -1.468 8.743 6.295 1.00 0.00 N ATOM 715 CA VAL A 72 -0.025 8.726 6.512 1.00 0.00 C ATOM 716 C VAL A 72 0.543 10.143 6.486 1.00 0.00 C ATOM 717 O VAL A 72 0.145 10.964 5.660 1.00 0.00 O ATOM 718 CB VAL A 72 0.696 7.881 5.442 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.190 7.823 5.721 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.106 6.478 5.373 1.00 0.00 C ATOM 0 H VAL A 72 -1.782 9.443 5.623 1.00 0.00 H new ATOM 0 HA VAL A 72 0.145 8.279 7.492 1.00 0.00 H new ATOM 0 HB VAL A 72 0.548 8.359 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.680 7.222 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.602 8.832 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.360 7.373 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.630 5.900 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.217 5.989 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.952 6.540 5.117 1.00 0.00 H new ATOM 730 N GLN A 73 1.467 10.430 7.398 1.00 0.00 N ATOM 731 CA GLN A 73 2.072 11.756 7.475 1.00 0.00 C ATOM 732 C GLN A 73 3.574 11.708 7.200 1.00 0.00 C ATOM 733 O GLN A 73 4.110 12.562 6.495 1.00 0.00 O ATOM 734 CB GLN A 73 1.818 12.373 8.850 1.00 0.00 C ATOM 735 CG GLN A 73 0.344 12.535 9.184 1.00 0.00 C ATOM 736 CD GLN A 73 -0.380 13.436 8.202 1.00 0.00 C ATOM 737 OE1 GLN A 73 -0.034 14.606 8.042 1.00 0.00 O ATOM 738 NE2 GLN A 73 -1.394 12.893 7.538 1.00 0.00 N ATOM 0 H GLN A 73 1.812 9.766 8.091 1.00 0.00 H new ATOM 0 HA GLN A 73 1.608 12.374 6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.287 11.749 9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.301 13.349 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.133 11.555 9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.246 12.946 10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.647 11.919 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.919 13.450 6.865 1.00 0.00 H new ATOM 747 N LYS A 74 4.250 10.716 7.771 1.00 0.00 N ATOM 748 CA LYS A 74 5.693 10.575 7.596 1.00 0.00 C ATOM 749 C LYS A 74 6.066 10.376 6.132 1.00 0.00 C ATOM 750 O LYS A 74 6.802 11.176 5.554 1.00 0.00 O ATOM 751 CB LYS A 74 6.226 9.406 8.431 1.00 0.00 C ATOM 752 CG LYS A 74 6.197 9.649 9.934 1.00 0.00 C ATOM 753 CD LYS A 74 4.777 9.772 10.465 1.00 0.00 C ATOM 754 CE LYS A 74 4.762 10.032 11.962 1.00 0.00 C ATOM 755 NZ LYS A 74 5.462 11.299 12.313 1.00 0.00 N ATOM 0 H LYS A 74 3.824 9.999 8.358 1.00 0.00 H new ATOM 0 HA LYS A 74 6.153 11.501 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.638 8.516 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.252 9.195 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.705 8.830 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.750 10.559 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.264 10.583 9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.226 8.857 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.731 10.078 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.238 9.199 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.231 11.563 13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.489 11.164 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.155 12.055 11.669 1.00 0.00 H new ATOM 769 N VAL A 75 5.558 9.304 5.543 1.00 0.00 N ATOM 770 CA VAL A 75 5.836 8.986 4.145 1.00 0.00 C ATOM 771 C VAL A 75 7.342 9.013 3.875 1.00 0.00 C ATOM 772 O VAL A 75 7.811 9.670 2.945 1.00 0.00 O ATOM 773 CB VAL A 75 5.126 9.967 3.189 1.00 0.00 C ATOM 774 CG1 VAL A 75 5.250 9.497 1.746 1.00 0.00 C ATOM 775 CG2 VAL A 75 3.665 10.133 3.578 1.00 0.00 C ATOM 0 H VAL A 75 4.948 8.635 6.012 1.00 0.00 H new ATOM 0 HA VAL A 75 5.452 7.983 3.959 1.00 0.00 H new ATOM 0 HB VAL A 75 5.613 10.938 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.743 10.203 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.303 9.438 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.793 8.513 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.182 10.829 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.163 9.167 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.601 10.523 4.594 1.00 0.00 H new ATOM 785 N ASN A 76 8.096 8.300 4.707 1.00 0.00 N ATOM 786 CA ASN A 76 9.549 8.246 4.571 1.00 0.00 C ATOM 787 C ASN A 76 9.957 7.648 3.227 1.00 0.00 C ATOM 788 O ASN A 76 9.398 6.646 2.788 1.00 0.00 O ATOM 789 CB ASN A 76 10.155 7.420 5.706 1.00 0.00 C ATOM 790 CG ASN A 76 9.796 7.958 7.076 1.00 0.00 C ATOM 791 OD1 ASN A 76 10.102 9.105 7.406 1.00 0.00 O ATOM 792 ND2 ASN A 76 9.142 7.131 7.883 1.00 0.00 N ATOM 0 H ASN A 76 7.725 7.751 5.483 1.00 0.00 H new ATOM 0 HA ASN A 76 9.927 9.267 4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.811 6.389 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.240 7.404 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.873 7.437 8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.909 6.189 7.568 1.00 0.00 H new ATOM 799 N ASP A 77 10.945 8.266 2.586 1.00 0.00 N ATOM 800 CA ASP A 77 11.435 7.785 1.299 1.00 0.00 C ATOM 801 C ASP A 77 12.000 6.373 1.442 1.00 0.00 C ATOM 802 O ASP A 77 12.658 6.063 2.435 1.00 0.00 O ATOM 803 CB ASP A 77 12.509 8.726 0.752 1.00 0.00 C ATOM 804 CG ASP A 77 11.993 10.137 0.549 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.036 10.312 -0.234 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.546 11.067 1.174 1.00 0.00 O ATOM 0 H ASP A 77 11.420 9.098 2.936 1.00 0.00 H new ATOM 0 HA ASP A 77 10.600 7.761 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.354 8.747 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.879 8.338 -0.197 1.00 0.00 H new ATOM 811 N PRO A 78 11.740 5.492 0.459 1.00 0.00 N ATOM 812 CA PRO A 78 12.221 4.105 0.494 1.00 0.00 C ATOM 813 C PRO A 78 13.725 3.988 0.244 1.00 0.00 C ATOM 814 O PRO A 78 14.179 3.054 -0.418 1.00 0.00 O ATOM 815 CB PRO A 78 11.439 3.437 -0.637 1.00 0.00 C ATOM 816 CG PRO A 78 11.155 4.539 -1.595 1.00 0.00 C ATOM 817 CD PRO A 78 10.950 5.769 -0.755 1.00 0.00 C ATOM 0 HA PRO A 78 12.069 3.650 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.020 2.643 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.518 2.984 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.982 4.675 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.269 4.320 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.300 6.666 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.897 5.925 -0.522 1.00 0.00 H new ATOM 825 N VAL A 79 14.494 4.931 0.780 1.00 0.00 N ATOM 826 CA VAL A 79 15.942 4.918 0.615 1.00 0.00 C ATOM 827 C VAL A 79 16.578 3.836 1.482 1.00 0.00 C ATOM 828 O VAL A 79 17.309 2.978 0.987 1.00 0.00 O ATOM 829 CB VAL A 79 16.562 6.281 0.979 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.066 6.265 0.747 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.904 7.397 0.183 1.00 0.00 C ATOM 0 H VAL A 79 14.139 5.712 1.331 1.00 0.00 H new ATOM 0 HA VAL A 79 16.141 4.707 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 79 16.384 6.468 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.485 7.236 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.522 5.493 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.270 6.054 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.355 8.352 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.047 7.217 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.837 7.423 0.406 1.00 0.00 H new ATOM 841 N GLN A 80 16.291 3.883 2.780 1.00 0.00 N ATOM 842 CA GLN A 80 16.829 2.907 3.720 1.00 0.00 C ATOM 843 C GLN A 80 16.037 1.602 3.660 1.00 0.00 C ATOM 844 O GLN A 80 15.589 1.189 2.590 1.00 0.00 O ATOM 845 CB GLN A 80 16.807 3.477 5.141 1.00 0.00 C ATOM 846 CG GLN A 80 17.640 4.738 5.304 1.00 0.00 C ATOM 847 CD GLN A 80 19.107 4.513 4.996 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.768 3.695 5.635 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.625 5.243 4.016 1.00 0.00 N ATOM 0 H GLN A 80 15.688 4.588 3.204 1.00 0.00 H new ATOM 0 HA GLN A 80 17.861 2.693 3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.776 3.694 5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.172 2.718 5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.250 5.514 4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.539 5.106 6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.040 5.910 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.608 5.137 3.766 1.00 0.00 H new ATOM 858 N ASN A 81 15.866 0.956 4.813 1.00 0.00 N ATOM 859 CA ASN A 81 15.126 -0.300 4.885 1.00 0.00 C ATOM 860 C ASN A 81 13.893 -0.159 5.773 1.00 0.00 C ATOM 861 O ASN A 81 12.794 -0.562 5.393 1.00 0.00 O ATOM 862 CB ASN A 81 16.024 -1.418 5.425 1.00 0.00 C ATOM 863 CG ASN A 81 17.203 -1.729 4.518 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.245 -1.102 3.347 1.00 0.00 O flip ATOM 865 ND2 ASN A 81 18.065 -2.537 4.865 1.00 0.00 N flip ATOM 0 H ASN A 81 16.230 1.283 5.708 1.00 0.00 H new ATOM 0 HA ASN A 81 14.801 -0.555 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.396 -1.133 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.428 -2.321 5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.997 -2.997 5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.847 -2.746 4.245 1.00 0.00 H new ATOM 872 N TRP A 82 14.086 0.408 6.960 1.00 0.00 N ATOM 873 CA TRP A 82 12.991 0.595 7.906 1.00 0.00 C ATOM 874 C TRP A 82 11.954 1.579 7.370 1.00 0.00 C ATOM 875 O TRP A 82 10.780 1.513 7.735 1.00 0.00 O ATOM 876 CB TRP A 82 13.526 1.050 9.269 1.00 0.00 C ATOM 877 CG TRP A 82 14.282 2.343 9.238 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.537 2.550 8.741 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.846 3.603 9.762 1.00 0.00 C ATOM 880 NE1 TRP A 82 15.899 3.865 8.905 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.879 4.532 9.533 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.678 4.037 10.396 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.780 5.867 9.917 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.581 5.363 10.778 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.626 6.264 10.537 1.00 0.00 C ATOM 0 H TRP A 82 14.990 0.746 7.290 1.00 0.00 H new ATOM 0 HA TRP A 82 12.494 -0.366 8.037 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.688 1.150 9.959 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.177 0.272 9.668 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.155 1.790 8.285 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.783 4.278 8.608 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.866 3.350 10.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.584 6.564 9.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.684 5.709 11.270 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.519 7.293 10.847 1.00 0.00 H new ATOM 896 N HIS A 83 12.389 2.482 6.493 1.00 0.00 N ATOM 897 CA HIS A 83 11.487 3.467 5.899 1.00 0.00 C ATOM 898 C HIS A 83 10.304 2.783 5.222 1.00 0.00 C ATOM 899 O HIS A 83 9.154 3.182 5.404 1.00 0.00 O ATOM 900 CB HIS A 83 12.237 4.331 4.881 1.00 0.00 C ATOM 901 CG HIS A 83 13.229 5.268 5.497 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.114 6.022 4.755 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.462 5.587 6.791 1.00 0.00 C ATOM 904 CE1 HIS A 83 14.850 6.761 5.568 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.473 6.514 6.808 1.00 0.00 N ATOM 0 H HIS A 83 13.357 2.552 6.179 1.00 0.00 H new ATOM 0 HA HIS A 83 11.110 4.103 6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.755 3.679 4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.513 4.909 4.306 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.189 6.011 3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.947 5.186 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.627 7.449 5.268 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.869 6.943 7.644 1.00 0.00 H new ATOM 914 N LYS A 84 10.596 1.748 4.438 1.00 0.00 N ATOM 915 CA LYS A 84 9.560 1.004 3.731 1.00 0.00 C ATOM 916 C LYS A 84 8.588 0.360 4.716 1.00 0.00 C ATOM 917 O LYS A 84 7.372 0.472 4.567 1.00 0.00 O ATOM 918 CB LYS A 84 10.193 -0.073 2.848 1.00 0.00 C ATOM 919 CG LYS A 84 11.113 0.480 1.772 1.00 0.00 C ATOM 920 CD LYS A 84 11.893 -0.629 1.086 1.00 0.00 C ATOM 921 CE LYS A 84 12.894 -0.074 0.088 1.00 0.00 C ATOM 922 NZ LYS A 84 13.656 -1.155 -0.598 1.00 0.00 N ATOM 0 H LYS A 84 11.543 1.406 4.277 1.00 0.00 H new ATOM 0 HA LYS A 84 9.007 1.703 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.758 -0.761 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.401 -0.653 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.525 1.024 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.807 1.194 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.416 -1.223 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.201 -1.298 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.370 0.528 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.589 0.589 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.328 -0.733 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.177 -1.714 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.996 -1.774 -1.111 1.00 0.00 H new ATOM 936 N LEU A 85 9.139 -0.314 5.720 1.00 0.00 N ATOM 937 CA LEU A 85 8.338 -0.982 6.735 1.00 0.00 C ATOM 938 C LEU A 85 7.438 0.008 7.469 1.00 0.00 C ATOM 939 O LEU A 85 6.336 -0.337 7.892 1.00 0.00 O ATOM 940 CB LEU A 85 9.254 -1.691 7.731 1.00 0.00 C ATOM 941 CG LEU A 85 10.152 -2.776 7.129 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.082 -3.346 8.188 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.309 -3.880 6.508 1.00 0.00 C ATOM 0 H LEU A 85 10.146 -0.411 5.851 1.00 0.00 H new ATOM 0 HA LEU A 85 7.701 -1.714 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.885 -0.946 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.639 -2.141 8.510 1.00 0.00 H new ATOM 0 HG LEU A 85 10.760 -2.325 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.713 -4.115 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.709 -2.549 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.492 -3.782 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.963 -4.643 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.676 -4.329 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.683 -3.461 5.720 1.00 0.00 H new ATOM 955 N GLU A 86 7.920 1.237 7.619 1.00 0.00 N ATOM 956 CA GLU A 86 7.165 2.277 8.304 1.00 0.00 C ATOM 957 C GLU A 86 5.897 2.621 7.536 1.00 0.00 C ATOM 958 O GLU A 86 4.805 2.659 8.102 1.00 0.00 O ATOM 959 CB GLU A 86 8.021 3.525 8.483 1.00 0.00 C ATOM 960 CG GLU A 86 7.356 4.589 9.335 1.00 0.00 C ATOM 961 CD GLU A 86 7.079 4.127 10.754 1.00 0.00 C ATOM 962 OE1 GLU A 86 7.462 2.989 11.099 1.00 0.00 O ATOM 963 OE2 GLU A 86 6.481 4.908 11.525 1.00 0.00 O ATOM 0 H GLU A 86 8.832 1.537 7.274 1.00 0.00 H new ATOM 0 HA GLU A 86 6.882 1.898 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.970 3.244 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.250 3.944 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.993 5.473 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.418 4.888 8.867 1.00 0.00 H new ATOM 970 N ASN A 87 6.051 2.865 6.239 1.00 0.00 N ATOM 971 CA ASN A 87 4.926 3.199 5.387 1.00 0.00 C ATOM 972 C ASN A 87 3.938 2.042 5.314 1.00 0.00 C ATOM 973 O ASN A 87 2.726 2.252 5.291 1.00 0.00 O ATOM 974 CB ASN A 87 5.423 3.562 3.991 1.00 0.00 C ATOM 975 CG ASN A 87 6.247 4.834 3.988 1.00 0.00 C ATOM 976 OD1 ASN A 87 5.768 5.898 4.377 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.494 4.730 3.546 1.00 0.00 N ATOM 0 H ASN A 87 6.950 2.836 5.757 1.00 0.00 H new ATOM 0 HA ASN A 87 4.409 4.058 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.023 2.742 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.570 3.683 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.096 5.553 3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.850 3.827 3.233 1.00 0.00 H new ATOM 984 N ILE A 88 4.461 0.819 5.279 1.00 0.00 N ATOM 985 CA ILE A 88 3.610 -0.364 5.212 1.00 0.00 C ATOM 986 C ILE A 88 2.771 -0.503 6.479 1.00 0.00 C ATOM 987 O ILE A 88 1.581 -0.807 6.415 1.00 0.00 O ATOM 988 CB ILE A 88 4.427 -1.656 5.023 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.283 -1.577 3.758 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.491 -2.854 4.957 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.150 -2.800 3.537 1.00 0.00 C ATOM 0 H ILE A 88 5.462 0.623 5.296 1.00 0.00 H new ATOM 0 HA ILE A 88 2.962 -0.227 4.346 1.00 0.00 H new ATOM 0 HB ILE A 88 5.095 -1.774 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.630 -1.443 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.921 -0.695 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.075 -3.765 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.920 -2.921 5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.807 -2.735 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.729 -2.675 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.828 -2.923 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.517 -3.683 3.448 1.00 0.00 H new ATOM 1003 N GLY A 89 3.404 -0.285 7.628 1.00 0.00 N ATOM 1004 CA GLY A 89 2.705 -0.398 8.895 1.00 0.00 C ATOM 1005 C GLY A 89 1.530 0.553 9.000 1.00 0.00 C ATOM 1006 O GLY A 89 0.430 0.149 9.371 1.00 0.00 O ATOM 0 H GLY A 89 4.389 -0.032 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.351 -1.421 9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.402 -0.199 9.709 1.00 0.00 H new ATOM 1010 N ASN A 90 1.764 1.819 8.672 1.00 0.00 N ATOM 1011 CA ASN A 90 0.715 2.831 8.730 1.00 0.00 C ATOM 1012 C ASN A 90 -0.355 2.568 7.675 1.00 0.00 C ATOM 1013 O ASN A 90 -1.546 2.731 7.931 1.00 0.00 O ATOM 1014 CB ASN A 90 1.308 4.227 8.533 1.00 0.00 C ATOM 1015 CG ASN A 90 2.330 4.577 9.594 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.033 4.562 10.788 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.539 4.902 9.161 1.00 0.00 N ATOM 0 H ASN A 90 2.671 2.169 8.363 1.00 0.00 H new ATOM 0 HA ASN A 90 0.251 2.778 9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.775 4.285 7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.506 4.965 8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.269 5.154 9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.740 4.901 8.161 1.00 0.00 H new ATOM 1024 N PHE A 91 0.082 2.166 6.484 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.835 1.884 5.385 1.00 0.00 C ATOM 1026 C PHE A 91 -1.798 0.756 5.749 1.00 0.00 C ATOM 1027 O PHE A 91 -3.013 0.897 5.611 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.048 1.514 4.123 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.913 1.182 2.939 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.002 1.973 2.610 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.631 0.077 2.153 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.795 1.668 1.520 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.420 -0.235 1.062 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.503 0.562 0.745 1.00 0.00 C ATOM 0 H PHE A 91 1.067 2.028 6.256 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.420 2.783 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.608 2.344 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.592 0.660 4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.234 2.839 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.216 -0.548 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.641 2.293 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.190 -1.100 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.121 0.321 -0.108 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.247 -0.359 6.217 1.00 0.00 N ATOM 1045 CA LEU A 92 -2.052 -1.508 6.603 1.00 0.00 C ATOM 1046 C LEU A 92 -2.911 -1.189 7.819 1.00 0.00 C ATOM 1047 O LEU A 92 -4.085 -1.543 7.868 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.149 -2.702 6.890 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.404 -3.239 5.671 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.599 -4.305 6.084 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.383 -3.794 4.649 1.00 0.00 C ATOM 0 H LEU A 92 -0.243 -0.490 6.338 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.718 -1.755 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.420 -2.416 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.753 -3.505 7.314 1.00 0.00 H new ATOM 0 HG LEU A 92 0.142 -2.415 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.120 -4.676 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.321 -3.876 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.075 -5.129 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.834 -4.172 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.957 -4.605 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.061 -3.003 4.328 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.318 -0.512 8.793 1.00 0.00 N ATOM 1064 CA ARG A 93 -3.035 -0.135 10.003 1.00 0.00 C ATOM 1065 C ARG A 93 -4.225 0.748 9.652 1.00 0.00 C ATOM 1066 O ARG A 93 -5.302 0.628 10.238 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.102 0.603 10.964 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.778 1.058 12.246 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.829 1.845 13.126 1.00 0.00 C ATOM 1070 NE ARG A 93 -2.468 2.295 14.360 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.847 3.006 15.296 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -0.575 3.347 15.140 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -2.499 3.377 16.390 1.00 0.00 N ATOM 0 H ARG A 93 -1.343 -0.213 8.769 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.397 -1.040 10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.266 -0.049 11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.686 1.472 10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.645 1.673 12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.146 0.190 12.792 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.965 1.227 13.370 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.457 2.709 12.575 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.446 2.050 14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.070 3.064 14.300 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.101 3.893 15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.477 3.117 16.513 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.022 3.923 17.108 1.00 0.00 H new ATOM 1087 N ALA A 94 -4.014 1.638 8.690 1.00 0.00 N ATOM 1088 CA ALA A 94 -5.054 2.555 8.247 1.00 0.00 C ATOM 1089 C ALA A 94 -6.167 1.826 7.499 1.00 0.00 C ATOM 1090 O ALA A 94 -7.344 2.101 7.719 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.455 3.646 7.370 1.00 0.00 C ATOM 0 H ALA A 94 -3.126 1.743 8.200 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.495 3.010 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.243 4.325 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.709 4.201 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.984 3.194 6.498 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.796 0.908 6.607 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.785 0.162 5.828 1.00 0.00 C ATOM 1099 C ILE A 95 -7.544 -0.840 6.699 1.00 0.00 C ATOM 1100 O ILE A 95 -8.756 -0.999 6.558 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.145 -0.574 4.629 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.206 -1.689 5.099 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.399 0.415 3.745 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.617 -2.502 3.966 1.00 0.00 C ATOM 0 H ILE A 95 -4.826 0.664 6.406 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.489 0.899 5.441 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.943 -1.035 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.395 -1.249 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.752 -2.355 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.952 -0.114 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.095 1.167 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.615 0.902 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.963 -3.273 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.421 -2.971 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.043 -1.848 3.309 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.829 -1.505 7.602 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.438 -2.477 8.500 1.00 0.00 C ATOM 1118 C LYS A 96 -8.477 -1.797 9.386 1.00 0.00 C ATOM 1119 O LYS A 96 -9.550 -2.344 9.641 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.366 -3.151 9.364 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.527 -4.180 8.625 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.418 -4.746 9.499 1.00 0.00 C ATOM 1123 CE LYS A 96 -3.455 -3.661 9.946 1.00 0.00 C ATOM 1124 NZ LYS A 96 -2.362 -4.203 10.802 1.00 0.00 N ATOM 0 H LYS A 96 -5.824 -1.387 7.730 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.933 -3.241 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.706 -2.384 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.850 -3.635 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.168 -4.992 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.091 -3.722 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.853 -5.231 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.874 -5.513 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.023 -3.176 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.002 -2.896 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.727 -3.430 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.772 -4.643 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.824 -4.915 10.268 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.143 -0.596 9.840 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.031 0.186 10.690 1.00 0.00 C ATOM 1140 C HIS A 97 -10.107 0.862 9.851 1.00 0.00 C ATOM 1141 O HIS A 97 -11.255 0.996 10.277 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.228 1.242 11.451 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.039 2.026 12.436 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.147 2.768 12.083 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -8.894 2.184 13.774 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.647 3.349 13.159 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -9.906 3.010 14.197 1.00 0.00 N ATOM 0 H HIS A 97 -7.255 -0.139 9.631 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.511 -0.484 11.404 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.409 0.752 11.977 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.780 1.930 10.734 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.126 1.743 14.392 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.514 3.992 13.185 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.060 3.313 15.159 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.716 1.292 8.657 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.629 1.966 7.740 1.00 0.00 C ATOM 1158 C TYR A 98 -11.877 1.129 7.495 1.00 0.00 C ATOM 1159 O TYR A 98 -12.996 1.643 7.522 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.927 2.247 6.408 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.803 2.941 5.389 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.403 4.162 5.673 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -11.026 2.375 4.140 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -12.202 4.798 4.742 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.823 3.004 3.204 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.408 4.215 3.509 1.00 0.00 C ATOM 1167 OH TYR A 98 -13.203 4.844 2.579 1.00 0.00 O ATOM 0 H TYR A 98 -8.767 1.185 8.299 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.930 2.908 8.198 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.047 2.862 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.574 1.305 5.988 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.242 4.621 6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.568 1.427 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.662 5.746 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.987 2.550 2.238 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.442 4.210 1.871 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.681 -0.163 7.255 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.806 -1.044 7.008 1.00 0.00 C ATOM 1179 C GLY A 99 -12.383 -2.431 6.568 1.00 0.00 C ATOM 1180 O GLY A 99 -12.907 -3.430 7.063 1.00 0.00 O ATOM 0 H GLY A 99 -10.767 -0.614 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.405 -1.123 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.444 -0.604 6.242 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.439 -2.497 5.633 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.959 -3.777 5.130 1.00 0.00 C ATOM 1186 C VAL A 100 -10.399 -4.626 6.264 1.00 0.00 C ATOM 1187 O VAL A 100 -9.494 -4.200 6.981 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.869 -3.594 4.055 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.502 -4.937 3.435 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.337 -2.622 2.982 1.00 0.00 C ATOM 0 H VAL A 100 -10.994 -1.682 5.211 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.814 -4.282 4.680 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.981 -3.179 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.731 -4.790 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.127 -5.605 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.385 -5.378 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.555 -2.505 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.239 -3.009 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.552 -1.655 3.436 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.940 -5.828 6.419 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.491 -6.733 7.468 1.00 0.00 C ATOM 1202 C LYS A 101 -9.087 -7.255 7.168 1.00 0.00 C ATOM 1203 O LYS A 101 -8.785 -7.618 6.032 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.462 -7.905 7.612 1.00 0.00 C ATOM 1205 CG LYS A 101 -12.881 -7.479 7.957 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.806 -8.677 8.108 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.375 -9.579 9.253 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.282 -10.751 9.409 1.00 0.00 N ATOM 0 H LYS A 101 -11.688 -6.198 5.833 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.463 -6.178 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.477 -8.470 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.095 -8.578 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.874 -6.905 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.263 -6.820 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -14.825 -8.331 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.817 -9.248 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.358 -9.928 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.359 -9.006 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.954 -11.341 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.248 -10.419 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.278 -11.312 8.533 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.210 -7.295 8.186 1.00 0.00 N ATOM 1223 CA PRO A 102 -6.833 -7.776 8.028 1.00 0.00 C ATOM 1224 C PRO A 102 -6.771 -9.148 7.365 1.00 0.00 C ATOM 1225 O PRO A 102 -5.817 -9.459 6.652 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.316 -7.839 9.466 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.114 -6.807 10.180 1.00 0.00 C ATOM 1228 CD PRO A 102 -8.486 -6.873 9.573 1.00 0.00 C ATOM 0 HA PRO A 102 -6.242 -7.129 7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.463 -8.828 9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.249 -7.624 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.148 -7.008 11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.677 -5.816 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.125 -7.587 10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.991 -5.908 9.609 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.799 -9.960 7.596 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.868 -11.295 7.010 1.00 0.00 C ATOM 1238 C HIS A 103 -7.745 -11.211 5.492 1.00 0.00 C ATOM 1239 O HIS A 103 -7.183 -12.098 4.849 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.182 -11.981 7.392 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.352 -12.187 8.868 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.468 -12.778 9.420 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -8.539 -11.880 9.909 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -10.337 -12.825 10.734 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.175 -12.288 11.055 1.00 0.00 N ATOM 0 H HIS A 103 -8.596 -9.717 8.185 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.040 -11.886 7.400 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.014 -11.383 7.020 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.235 -12.948 6.891 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.572 -11.403 9.848 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.058 -13.233 11.427 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.809 -12.192 12.002 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.259 -10.120 4.933 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.201 -9.879 3.500 1.00 0.00 C ATOM 1256 C ASP A 104 -7.146 -8.826 3.221 1.00 0.00 C ATOM 1257 O ASP A 104 -7.302 -7.978 2.342 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.562 -9.411 2.983 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.630 -10.480 3.112 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.900 -10.915 4.251 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.197 -10.880 2.074 1.00 0.00 O ATOM 0 H ASP A 104 -8.725 -9.382 5.460 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.941 -10.805 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.872 -8.524 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.469 -9.119 1.937 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.080 -8.879 4.008 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.990 -7.926 3.897 1.00 0.00 C ATOM 1268 C ILE A 105 -3.652 -8.586 4.216 1.00 0.00 C ATOM 1269 O ILE A 105 -3.537 -9.340 5.183 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.199 -6.751 4.871 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.521 -6.036 4.583 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.039 -5.782 4.784 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.831 -4.916 5.555 1.00 0.00 C ATOM 0 H ILE A 105 -5.949 -9.581 4.737 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.980 -7.561 2.870 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.243 -7.149 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.492 -5.630 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.332 -6.764 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.201 -4.957 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.114 -6.297 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.966 -5.393 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.782 -4.456 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.893 -5.319 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.041 -4.167 5.511 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.641 -8.294 3.405 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.313 -8.855 3.614 1.00 0.00 C ATOM 1287 C PHE A 106 -0.675 -8.262 4.868 1.00 0.00 C ATOM 1288 O PHE A 106 -1.376 -7.788 5.762 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.434 -8.599 2.382 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.265 -7.144 2.038 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.672 -6.362 2.695 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.046 -6.559 1.054 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.826 -5.026 2.376 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.898 -5.224 0.732 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.040 -4.457 1.394 1.00 0.00 C ATOM 0 H PHE A 106 -2.716 -7.674 2.599 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.403 -9.932 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.549 -9.037 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.868 -9.115 1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.289 -6.802 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.780 -7.155 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.561 -4.428 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.515 -4.781 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.159 -3.413 1.144 1.00 0.00 H new ATOM 1305 N GLU A 107 0.653 -8.279 4.928 1.00 0.00 N ATOM 1306 CA GLU A 107 1.371 -7.732 6.073 1.00 0.00 C ATOM 1307 C GLU A 107 2.717 -7.173 5.650 1.00 0.00 C ATOM 1308 O GLU A 107 3.204 -7.453 4.554 1.00 0.00 O ATOM 1309 CB GLU A 107 1.578 -8.793 7.152 1.00 0.00 C ATOM 1310 CG GLU A 107 0.289 -9.356 7.703 1.00 0.00 C ATOM 1311 CD GLU A 107 0.505 -10.325 8.851 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.671 -10.537 9.240 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -0.496 -10.870 9.363 1.00 0.00 O ATOM 0 H GLU A 107 1.252 -8.665 4.198 1.00 0.00 H new ATOM 0 HA GLU A 107 0.762 -6.926 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.173 -9.608 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.154 -8.360 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.343 -8.535 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.250 -9.864 6.903 1.00 0.00 H new ATOM 1320 N ALA A 108 3.311 -6.380 6.530 1.00 0.00 N ATOM 1321 CA ALA A 108 4.604 -5.774 6.265 1.00 0.00 C ATOM 1322 C ALA A 108 5.622 -6.817 5.825 1.00 0.00 C ATOM 1323 O ALA A 108 6.580 -6.497 5.125 1.00 0.00 O ATOM 1324 CB ALA A 108 5.096 -5.033 7.498 1.00 0.00 C ATOM 0 H ALA A 108 2.914 -6.141 7.439 1.00 0.00 H new ATOM 0 HA ALA A 108 4.486 -5.061 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.066 -4.582 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.383 -4.252 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.192 -5.732 8.328 1.00 0.00 H new ATOM 1330 N ASN A 109 5.414 -8.064 6.237 1.00 0.00 N ATOM 1331 CA ASN A 109 6.324 -9.139 5.878 1.00 0.00 C ATOM 1332 C ASN A 109 6.053 -9.657 4.467 1.00 0.00 C ATOM 1333 O ASN A 109 6.981 -10.022 3.746 1.00 0.00 O ATOM 1334 CB ASN A 109 6.224 -10.272 6.895 1.00 0.00 C ATOM 1335 CG ASN A 109 4.795 -10.693 7.166 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.074 -11.110 6.261 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.377 -10.588 8.422 1.00 0.00 N ATOM 0 H ASN A 109 4.626 -8.351 6.817 1.00 0.00 H new ATOM 0 HA ASN A 109 7.338 -8.740 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.788 -11.131 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.689 -9.957 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.424 -10.858 8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.008 -10.237 9.142 1.00 0.00 H new ATOM 1344 N ASP A 110 4.782 -9.691 4.078 1.00 0.00 N ATOM 1345 CA ASP A 110 4.405 -10.169 2.752 1.00 0.00 C ATOM 1346 C ASP A 110 5.090 -9.355 1.657 1.00 0.00 C ATOM 1347 O ASP A 110 5.689 -9.916 0.738 1.00 0.00 O ATOM 1348 CB ASP A 110 2.886 -10.110 2.573 1.00 0.00 C ATOM 1349 CG ASP A 110 2.156 -11.091 3.471 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.832 -11.861 4.183 1.00 0.00 O ATOM 1351 OD2 ASP A 110 0.907 -11.094 3.455 1.00 0.00 O ATOM 0 H ASP A 110 3.998 -9.394 4.660 1.00 0.00 H new ATOM 0 HA ASP A 110 4.734 -11.205 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.537 -9.099 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.638 -10.321 1.533 1.00 0.00 H new ATOM 1356 N LEU A 111 5.000 -8.033 1.760 1.00 0.00 N ATOM 1357 CA LEU A 111 5.612 -7.144 0.776 1.00 0.00 C ATOM 1358 C LEU A 111 7.128 -7.064 0.946 1.00 0.00 C ATOM 1359 O LEU A 111 7.876 -7.217 -0.020 1.00 0.00 O ATOM 1360 CB LEU A 111 5.009 -5.741 0.877 1.00 0.00 C ATOM 1361 CG LEU A 111 3.857 -5.448 -0.086 1.00 0.00 C ATOM 1362 CD1 LEU A 111 3.306 -4.052 0.157 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.322 -5.589 -1.529 1.00 0.00 C ATOM 0 H LEU A 111 4.510 -7.553 2.514 1.00 0.00 H new ATOM 0 HA LEU A 111 5.404 -7.561 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.655 -5.589 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.800 -5.011 0.703 1.00 0.00 H new ATOM 0 HG LEU A 111 3.062 -6.172 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.487 -3.858 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.940 -3.978 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.095 -3.317 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.491 -5.377 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.132 -4.885 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.677 -6.606 -1.699 1.00 0.00 H new ATOM 1375 N PHE A 112 7.574 -6.805 2.172 1.00 0.00 N ATOM 1376 CA PHE A 112 9.003 -6.682 2.456 1.00 0.00 C ATOM 1377 C PHE A 112 9.768 -7.940 2.052 1.00 0.00 C ATOM 1378 O PHE A 112 10.697 -7.877 1.247 1.00 0.00 O ATOM 1379 CB PHE A 112 9.225 -6.399 3.943 1.00 0.00 C ATOM 1380 CG PHE A 112 10.667 -6.181 4.310 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.453 -5.293 3.592 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.235 -6.864 5.374 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.779 -5.092 3.928 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.559 -6.667 5.715 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.332 -5.780 4.991 1.00 0.00 C ATOM 0 H PHE A 112 6.970 -6.676 2.983 1.00 0.00 H new ATOM 0 HA PHE A 112 9.384 -5.849 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.650 -5.517 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.834 -7.234 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.025 -4.752 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.635 -7.559 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.382 -4.398 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.989 -7.206 6.546 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.367 -5.624 5.256 1.00 0.00 H new ATOM 1395 N GLU A 113 9.375 -9.080 2.613 1.00 0.00 N ATOM 1396 CA GLU A 113 10.032 -10.344 2.303 1.00 0.00 C ATOM 1397 C GLU A 113 9.545 -10.892 0.969 1.00 0.00 C ATOM 1398 O GLU A 113 9.885 -12.013 0.589 1.00 0.00 O ATOM 1399 CB GLU A 113 9.776 -11.361 3.413 1.00 0.00 C ATOM 1400 CG GLU A 113 10.341 -10.945 4.761 1.00 0.00 C ATOM 1401 CD GLU A 113 11.850 -10.791 4.748 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.355 -9.920 4.008 1.00 0.00 O ATOM 1403 OE2 GLU A 113 12.528 -11.542 5.480 1.00 0.00 O ATOM 0 H GLU A 113 8.608 -9.154 3.282 1.00 0.00 H new ATOM 0 HA GLU A 113 11.104 -10.162 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.702 -11.517 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.212 -12.318 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.887 -10.001 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.063 -11.687 5.510 1.00 0.00 H new ATOM 1410 N ASN A 114 8.744 -10.089 0.270 1.00 0.00 N ATOM 1411 CA ASN A 114 8.187 -10.467 -1.026 1.00 0.00 C ATOM 1412 C ASN A 114 7.785 -11.939 -1.046 1.00 0.00 C ATOM 1413 O ASN A 114 7.886 -12.606 -2.077 1.00 0.00 O ATOM 1414 CB ASN A 114 9.176 -10.170 -2.160 1.00 0.00 C ATOM 1415 CG ASN A 114 10.480 -10.934 -2.033 1.00 0.00 C ATOM 1416 OD1 ASN A 114 11.276 -10.685 -1.128 1.00 0.00 O ATOM 1417 ND2 ASN A 114 10.707 -11.873 -2.944 1.00 0.00 N ATOM 0 H ASN A 114 8.464 -9.160 0.586 1.00 0.00 H new ATOM 0 HA ASN A 114 7.292 -9.866 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 114 8.710 -10.417 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.389 -9.101 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 114 11.568 -12.419 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 114 10.021 -12.048 -3.678 1.00 0.00 H new ATOM 1424 N THR A 115 7.327 -12.440 0.098 1.00 0.00 N ATOM 1425 CA THR A 115 6.908 -13.832 0.205 1.00 0.00 C ATOM 1426 C THR A 115 5.517 -14.034 -0.390 1.00 0.00 C ATOM 1427 O THR A 115 5.295 -14.964 -1.165 1.00 0.00 O ATOM 1428 CB THR A 115 6.926 -14.325 1.666 1.00 0.00 C ATOM 1429 OG1 THR A 115 6.404 -15.656 1.741 1.00 0.00 O ATOM 1430 CG2 THR A 115 6.119 -13.406 2.571 1.00 0.00 C ATOM 0 H THR A 115 7.237 -11.904 0.961 1.00 0.00 H new ATOM 0 HA THR A 115 7.627 -14.422 -0.363 1.00 0.00 H new ATOM 0 HB THR A 115 7.961 -14.318 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.420 -15.962 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 115 6.152 -13.782 3.594 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.541 -12.402 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 115 5.084 -13.375 2.229 1.00 0.00 H new ATOM 1438 N ASN A 116 4.586 -13.153 -0.031 1.00 0.00 N ATOM 1439 CA ASN A 116 3.222 -13.236 -0.543 1.00 0.00 C ATOM 1440 C ASN A 116 3.048 -12.346 -1.770 1.00 0.00 C ATOM 1441 O ASN A 116 3.291 -11.141 -1.714 1.00 0.00 O ATOM 1442 CB ASN A 116 2.215 -12.837 0.539 1.00 0.00 C ATOM 1443 CG ASN A 116 2.185 -13.817 1.696 1.00 0.00 C ATOM 1444 OD1 ASN A 116 3.193 -14.032 2.369 1.00 0.00 O ATOM 1445 ND2 ASN A 116 1.025 -14.418 1.933 1.00 0.00 N ATOM 0 H ASN A 116 4.751 -12.377 0.610 1.00 0.00 H new ATOM 0 HA ASN A 116 3.035 -14.270 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.464 -11.845 0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 116 1.220 -12.770 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.945 -15.088 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.214 -14.210 1.350 1.00 0.00 H new ATOM 1452 N HIS A 117 2.618 -12.947 -2.875 1.00 0.00 N ATOM 1453 CA HIS A 117 2.404 -12.207 -4.113 1.00 0.00 C ATOM 1454 C HIS A 117 0.914 -12.054 -4.396 1.00 0.00 C ATOM 1455 O HIS A 117 0.437 -10.962 -4.705 1.00 0.00 O ATOM 1456 CB HIS A 117 3.086 -12.916 -5.287 1.00 0.00 C ATOM 1457 CG HIS A 117 4.575 -13.022 -5.153 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.372 -13.641 -6.093 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.415 -12.581 -4.186 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.634 -13.577 -5.710 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.688 -12.939 -4.557 1.00 0.00 N ATOM 0 H HIS A 117 2.411 -13.944 -2.938 1.00 0.00 H new ATOM 0 HA HIS A 117 2.843 -11.216 -3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.668 -13.918 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.851 -12.381 -6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.136 -12.047 -3.290 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.479 -13.979 -6.249 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.537 -12.743 -4.027 1.00 0.00 H new ATOM 1470 N THR A 118 0.185 -13.159 -4.287 1.00 0.00 N ATOM 1471 CA THR A 118 -1.252 -13.158 -4.527 1.00 0.00 C ATOM 1472 C THR A 118 -1.987 -12.331 -3.476 1.00 0.00 C ATOM 1473 O THR A 118 -2.932 -11.609 -3.791 1.00 0.00 O ATOM 1474 CB THR A 118 -1.822 -14.590 -4.530 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.163 -15.378 -5.529 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.321 -14.579 -4.797 1.00 0.00 C ATOM 0 H THR A 118 0.568 -14.070 -4.033 1.00 0.00 H new ATOM 0 HA THR A 118 -1.408 -12.711 -5.509 1.00 0.00 H new ATOM 0 HB THR A 118 -1.647 -15.026 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.530 -16.287 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.699 -15.601 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.825 -14.004 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.514 -14.124 -5.768 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.550 -12.449 -2.225 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.169 -11.719 -1.125 1.00 0.00 C ATOM 1486 C GLN A 119 -2.085 -10.211 -1.345 1.00 0.00 C ATOM 1487 O GLN A 119 -3.077 -9.498 -1.188 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.497 -12.096 0.195 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.131 -11.439 1.408 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.593 -11.806 1.571 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.937 -12.975 1.743 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.463 -10.803 1.515 1.00 0.00 N ATOM 0 H GLN A 119 -0.769 -13.044 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.223 -11.995 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.535 -13.179 0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.444 -11.817 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.584 -11.733 2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.039 -10.356 1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.133 -9.849 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.461 -10.987 1.616 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.900 -9.728 -1.710 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.696 -8.303 -1.952 1.00 0.00 C ATOM 1503 C VAL A 120 -1.624 -7.796 -3.053 1.00 0.00 C ATOM 1504 O VAL A 120 -2.217 -6.724 -2.933 1.00 0.00 O ATOM 1505 CB VAL A 120 0.770 -7.998 -2.334 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.921 -6.563 -2.819 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.701 -8.271 -1.160 1.00 0.00 C ATOM 0 H VAL A 120 -0.068 -10.302 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.929 -7.785 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 120 1.049 -8.661 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.962 -6.375 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.292 -6.407 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.617 -5.878 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.728 -8.050 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.419 -7.640 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.624 -9.319 -0.870 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.745 -8.574 -4.125 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.590 -8.220 -5.244 1.00 0.00 C ATOM 1519 C GLN A 121 -4.062 -8.174 -4.839 1.00 0.00 C ATOM 1520 O GLN A 121 -4.785 -7.241 -5.194 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.385 -9.235 -6.364 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.254 -8.973 -7.566 1.00 0.00 C ATOM 1523 CD GLN A 121 -3.060 -9.996 -8.668 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -3.272 -11.192 -8.464 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -2.655 -9.532 -9.844 1.00 0.00 N ATOM 0 H GLN A 121 -1.258 -9.464 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.313 -7.224 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.339 -9.223 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.594 -10.235 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.300 -8.971 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.035 -7.979 -7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -2.491 -8.533 -9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -2.508 -10.174 -10.622 1.00 0.00 H new ATOM 1534 N SER A 122 -4.500 -9.190 -4.103 1.00 0.00 N ATOM 1535 CA SER A 122 -5.886 -9.277 -3.655 1.00 0.00 C ATOM 1536 C SER A 122 -6.260 -8.091 -2.771 1.00 0.00 C ATOM 1537 O SER A 122 -7.360 -7.548 -2.878 1.00 0.00 O ATOM 1538 CB SER A 122 -6.117 -10.585 -2.896 1.00 0.00 C ATOM 1539 OG SER A 122 -5.843 -11.706 -3.716 1.00 0.00 O ATOM 0 H SER A 122 -3.913 -9.968 -3.803 1.00 0.00 H new ATOM 0 HA SER A 122 -6.523 -9.256 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.480 -10.613 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.149 -10.629 -2.547 1.00 0.00 H new ATOM 0 HG SER A 122 -4.874 -11.807 -3.819 1.00 0.00 H new ATOM 1545 N THR A 123 -5.341 -7.699 -1.895 1.00 0.00 N ATOM 1546 CA THR A 123 -5.574 -6.582 -0.986 1.00 0.00 C ATOM 1547 C THR A 123 -5.986 -5.324 -1.745 1.00 0.00 C ATOM 1548 O THR A 123 -6.885 -4.600 -1.318 1.00 0.00 O ATOM 1549 CB THR A 123 -4.322 -6.276 -0.143 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.950 -7.431 0.618 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.572 -5.106 0.798 1.00 0.00 C ATOM 0 H THR A 123 -4.426 -8.139 -1.795 1.00 0.00 H new ATOM 0 HA THR A 123 -6.387 -6.880 -0.323 1.00 0.00 H new ATOM 0 HB THR A 123 -3.512 -6.009 -0.822 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.623 -8.130 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.673 -4.910 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.827 -4.220 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.395 -5.349 1.470 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.323 -5.067 -2.868 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.622 -3.894 -3.682 1.00 0.00 C ATOM 1561 C LEU A 124 -7.059 -3.928 -4.192 1.00 0.00 C ATOM 1562 O LEU A 124 -7.778 -2.933 -4.114 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.652 -3.800 -4.859 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.185 -3.594 -4.475 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.307 -3.568 -5.716 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.018 -2.312 -3.674 1.00 0.00 C ATOM 0 H LEU A 124 -4.575 -5.655 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.504 -3.012 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.732 -4.712 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.963 -2.976 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.872 -4.431 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.267 -3.421 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.403 -4.514 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.620 -2.751 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.969 -2.182 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.349 -1.463 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.616 -2.370 -2.765 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.471 -5.078 -4.716 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.824 -5.234 -5.238 1.00 0.00 C ATOM 1580 C ILE A 125 -9.863 -4.959 -4.154 1.00 0.00 C ATOM 1581 O ILE A 125 -10.859 -4.277 -4.395 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.049 -6.647 -5.814 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.071 -6.910 -6.964 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.487 -6.808 -6.285 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.227 -8.275 -7.601 1.00 0.00 C ATOM 0 H ILE A 125 -6.890 -5.913 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.941 -4.507 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.865 -7.379 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.210 -6.145 -7.728 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.052 -6.808 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.628 -7.811 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.164 -6.657 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.701 -6.072 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.501 -8.386 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.059 -9.048 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.234 -8.375 -8.005 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.620 -5.488 -2.959 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.531 -5.294 -1.837 1.00 0.00 C ATOM 1599 C ALA A 126 -10.589 -3.826 -1.426 1.00 0.00 C ATOM 1600 O ALA A 126 -11.663 -3.288 -1.158 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.108 -6.159 -0.659 1.00 0.00 C ATOM 0 H ALA A 126 -8.800 -6.054 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.530 -5.595 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.797 -6.004 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.125 -7.208 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.099 -5.885 -0.350 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.424 -3.186 -1.377 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.334 -1.780 -0.999 1.00 0.00 C ATOM 1609 C LEU A 127 -10.123 -0.901 -1.965 1.00 0.00 C ATOM 1610 O LEU A 127 -10.800 0.041 -1.550 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.870 -1.332 -0.965 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.646 0.132 -0.572 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.208 0.407 0.815 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.165 0.478 -0.624 1.00 0.00 C ATOM 0 H LEU A 127 -8.527 -3.621 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.765 -1.671 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.328 -1.967 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.433 -1.499 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.173 0.763 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.039 1.452 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.278 0.200 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.710 -0.234 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.025 1.522 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.617 -0.162 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.790 0.322 -1.636 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.029 -1.214 -3.254 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.732 -0.452 -4.280 1.00 0.00 C ATOM 1628 C ALA A 128 -12.228 -0.402 -3.994 1.00 0.00 C ATOM 1629 O ALA A 128 -12.847 0.659 -4.059 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.474 -1.054 -5.653 1.00 0.00 C ATOM 0 H ALA A 128 -9.473 -1.990 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.351 0.569 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.005 -0.476 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.405 -1.033 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.827 -2.085 -5.671 1.00 0.00 H new ATOM 1636 N SER A 129 -12.803 -1.558 -3.673 1.00 0.00 N ATOM 1637 CA SER A 129 -14.226 -1.647 -3.371 1.00 0.00 C ATOM 1638 C SER A 129 -14.574 -0.794 -2.156 1.00 0.00 C ATOM 1639 O SER A 129 -15.632 -0.166 -2.106 1.00 0.00 O ATOM 1640 CB SER A 129 -14.626 -3.103 -3.120 1.00 0.00 C ATOM 1641 OG SER A 129 -16.008 -3.209 -2.826 1.00 0.00 O ATOM 0 H SER A 129 -12.304 -2.446 -3.616 1.00 0.00 H new ATOM 0 HA SER A 129 -14.781 -1.270 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.391 -3.705 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.043 -3.506 -2.292 1.00 0.00 H new ATOM 0 HG SER A 129 -16.238 -4.149 -2.671 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.677 -0.786 -1.174 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.868 -0.028 0.049 1.00 0.00 C ATOM 1649 C GLN A 130 -13.729 1.472 -0.190 1.00 0.00 C ATOM 1650 O GLN A 130 -13.443 2.236 0.732 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.834 -0.487 1.046 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.147 -0.132 2.479 1.00 0.00 C ATOM 1653 CD GLN A 130 -14.476 -0.692 2.945 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.688 -1.905 2.940 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -15.380 0.191 3.353 1.00 0.00 N ATOM 0 H GLN A 130 -12.800 -1.306 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.876 -0.202 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.727 -1.569 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -11.871 -0.051 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.353 -0.509 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -13.157 0.953 2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.162 1.187 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.293 -0.127 3.679 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.933 1.885 -1.429 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.830 3.294 -1.794 1.00 0.00 C ATOM 1666 C ALA A 131 -14.827 3.657 -2.890 1.00 0.00 C ATOM 1667 O ALA A 131 -15.604 4.602 -2.743 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.412 3.619 -2.239 1.00 0.00 C ATOM 0 H ALA A 131 -14.172 1.266 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.071 3.889 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.348 4.673 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.718 3.410 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.152 3.007 -3.103 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.807 2.903 -3.984 1.00 0.00 N ATOM 1675 CA LYS A 132 -15.718 3.151 -5.097 1.00 0.00 C ATOM 1676 C LYS A 132 -17.136 2.712 -4.745 1.00 0.00 C ATOM 1677 O LYS A 132 -18.099 3.446 -4.968 1.00 0.00 O ATOM 1678 CB LYS A 132 -15.236 2.425 -6.356 1.00 0.00 C ATOM 1679 CG LYS A 132 -15.122 0.918 -6.190 1.00 0.00 C ATOM 1680 CD LYS A 132 -14.642 0.251 -7.469 1.00 0.00 C ATOM 1681 CE LYS A 132 -14.535 -1.256 -7.305 1.00 0.00 C ATOM 1682 NZ LYS A 132 -14.067 -1.918 -8.554 1.00 0.00 N ATOM 0 H LYS A 132 -14.172 2.117 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.729 4.223 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.924 2.640 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -14.263 2.824 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -14.430 0.692 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.091 0.508 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -15.331 0.482 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -13.670 0.657 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -13.845 -1.485 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -15.507 -1.660 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -14.007 -2.945 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -14.738 -1.721 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -13.128 -1.551 -8.811 1.00 0.00 H new