USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 561 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 SER OG : rot 81:sc= 0.00859 USER MOD Set 1.2: A 68 GLN : amide:sc= 0.201 K(o=0.21,f=-7.9!) USER MOD Single : A 10 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.36) USER MOD Single : A 16 SER OG : rot 65:sc= 0.706 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 103:sc= 1.37 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 54:sc= -0.817 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 52 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0434) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc=-0.00496 (180deg=-0.187) USER MOD Single : A 73 MET CE :methyl 173:sc= 0 (180deg=-0.11) USER MOD Single : A 74 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.19) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 10 -15.458 -6.278 2.028 1.00 0.00 N ATOM 105 CA GLN A 10 -16.331 -6.957 2.979 1.00 0.00 C ATOM 106 C GLN A 10 -17.396 -7.773 2.253 1.00 0.00 C ATOM 107 O GLN A 10 -17.689 -7.551 1.078 1.00 0.00 O ATOM 108 CB GLN A 10 -16.996 -5.940 3.908 1.00 0.00 C ATOM 109 CG GLN A 10 -16.285 -5.779 5.242 1.00 0.00 C ATOM 110 CD GLN A 10 -17.004 -4.825 6.176 1.00 0.00 C ATOM 111 OE1 GLN A 10 -18.146 -5.065 6.568 1.00 0.00 O ATOM 112 NE2 GLN A 10 -16.337 -3.735 6.537 1.00 0.00 N ATOM 0 HA GLN A 10 -15.721 -7.637 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.034 -4.973 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.026 -6.245 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.197 -6.754 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.272 -5.416 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.392 -3.576 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.770 -3.056 7.164 1.00 0.00 H new ATOM 121 N PRO A 11 -17.990 -8.740 2.968 1.00 0.00 N ATOM 122 CA PRO A 11 -19.033 -9.608 2.412 1.00 0.00 C ATOM 123 C PRO A 11 -20.336 -8.859 2.158 1.00 0.00 C ATOM 124 O PRO A 11 -20.662 -7.884 2.835 1.00 0.00 O ATOM 125 CB PRO A 11 -19.228 -10.668 3.499 1.00 0.00 C ATOM 126 CG PRO A 11 -18.798 -10.002 4.760 1.00 0.00 C ATOM 127 CD PRO A 11 -17.691 -9.060 4.374 1.00 0.00 C ATOM 0 HA PRO A 11 -18.748 -10.018 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.268 -10.990 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.630 -11.557 3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.627 -9.463 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.451 -10.734 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.688 -8.166 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.711 -9.526 4.481 1.00 0.00 H new ATOM 135 N PRO A 12 -21.102 -9.324 1.160 1.00 0.00 N ATOM 136 CA PRO A 12 -22.384 -8.714 0.795 1.00 0.00 C ATOM 137 C PRO A 12 -23.457 -8.940 1.854 1.00 0.00 C ATOM 138 O PRO A 12 -23.198 -9.546 2.893 1.00 0.00 O ATOM 139 CB PRO A 12 -22.758 -9.427 -0.507 1.00 0.00 C ATOM 140 CG PRO A 12 -22.055 -10.738 -0.436 1.00 0.00 C ATOM 141 CD PRO A 12 -20.776 -10.483 0.311 1.00 0.00 C ATOM 0 HA PRO A 12 -22.307 -7.631 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -23.837 -9.560 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -22.440 -8.854 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -22.665 -11.481 0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.853 -11.127 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.479 -11.346 0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.951 -10.265 -0.367 1.00 0.00 H new ATOM 149 N ALA A 13 -24.662 -8.450 1.583 1.00 0.00 N ATOM 150 CA ALA A 13 -25.774 -8.601 2.512 1.00 0.00 C ATOM 151 C ALA A 13 -26.454 -9.955 2.339 1.00 0.00 C ATOM 152 O ALA A 13 -27.053 -10.484 3.276 1.00 0.00 O ATOM 153 CB ALA A 13 -26.780 -7.476 2.320 1.00 0.00 C ATOM 0 H ALA A 13 -24.893 -7.945 0.727 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.377 -8.549 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.605 -7.602 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.293 -6.518 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -27.163 -7.501 1.300 1.00 0.00 H new ATOM 159 N ASP A 14 -26.357 -10.511 1.136 1.00 0.00 N ATOM 160 CA ASP A 14 -26.963 -11.804 0.841 1.00 0.00 C ATOM 161 C ASP A 14 -25.914 -12.912 0.858 1.00 0.00 C ATOM 162 O ASP A 14 -25.320 -13.235 -0.172 1.00 0.00 O ATOM 163 CB ASP A 14 -27.659 -11.766 -0.520 1.00 0.00 C ATOM 164 CG ASP A 14 -28.989 -11.039 -0.469 1.00 0.00 C ATOM 165 OD1 ASP A 14 -29.039 -9.935 0.111 1.00 0.00 O ATOM 166 OD2 ASP A 14 -29.980 -11.575 -1.009 1.00 0.00 O ATOM 0 H ASP A 14 -25.865 -10.087 0.350 1.00 0.00 H new ATOM 0 HA ASP A 14 -27.703 -12.016 1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -27.008 -11.277 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -27.818 -12.785 -0.872 1.00 0.00 H new ATOM 171 N LEU A 15 -25.689 -13.488 2.033 1.00 0.00 N ATOM 172 CA LEU A 15 -24.710 -14.559 2.185 1.00 0.00 C ATOM 173 C LEU A 15 -25.038 -15.731 1.265 1.00 0.00 C ATOM 174 O LEU A 15 -24.151 -16.484 0.863 1.00 0.00 O ATOM 175 CB LEU A 15 -24.666 -15.034 3.639 1.00 0.00 C ATOM 176 CG LEU A 15 -23.534 -14.468 4.496 1.00 0.00 C ATOM 177 CD1 LEU A 15 -22.193 -15.026 4.045 1.00 0.00 C ATOM 178 CD2 LEU A 15 -23.529 -12.947 4.436 1.00 0.00 C ATOM 0 H LEU A 15 -26.171 -13.232 2.895 1.00 0.00 H new ATOM 0 HA LEU A 15 -23.732 -14.166 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -25.615 -14.780 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -24.589 -16.121 3.643 1.00 0.00 H new ATOM 0 HG LEU A 15 -23.701 -14.770 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -21.399 -14.612 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -22.200 -16.112 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -22.018 -14.755 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -22.717 -12.561 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -23.387 -12.624 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -24.480 -12.565 4.808 1.00 0.00 H new ATOM 190 N SER A 16 -26.317 -15.878 0.935 1.00 0.00 N ATOM 191 CA SER A 16 -26.762 -16.959 0.063 1.00 0.00 C ATOM 192 C SER A 16 -26.475 -16.631 -1.399 1.00 0.00 C ATOM 193 O SER A 16 -27.392 -16.491 -2.207 1.00 0.00 O ATOM 194 CB SER A 16 -28.258 -17.214 0.256 1.00 0.00 C ATOM 195 OG SER A 16 -29.025 -16.103 -0.174 1.00 0.00 O ATOM 0 H SER A 16 -27.063 -15.262 1.258 1.00 0.00 H new ATOM 0 HA SER A 16 -26.209 -17.860 0.330 1.00 0.00 H new ATOM 0 HB2 SER A 16 -28.554 -18.102 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 16 -28.463 -17.416 1.307 1.00 0.00 H new ATOM 0 HG SER A 16 -28.913 -15.983 -1.140 1.00 0.00 H new ATOM 201 N GLY A 17 -25.194 -16.509 -1.731 1.00 0.00 N ATOM 202 CA GLY A 17 -24.807 -16.199 -3.095 1.00 0.00 C ATOM 203 C GLY A 17 -23.317 -16.355 -3.325 1.00 0.00 C ATOM 204 O GLY A 17 -22.888 -16.781 -4.398 1.00 0.00 O ATOM 0 H GLY A 17 -24.417 -16.619 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.347 -16.852 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -25.103 -15.176 -3.330 1.00 0.00 H new ATOM 208 N LEU A 18 -22.525 -16.007 -2.317 1.00 0.00 N ATOM 209 CA LEU A 18 -21.073 -16.109 -2.415 1.00 0.00 C ATOM 210 C LEU A 18 -20.653 -17.513 -2.839 1.00 0.00 C ATOM 211 O LEU A 18 -21.394 -18.477 -2.650 1.00 0.00 O ATOM 212 CB LEU A 18 -20.426 -15.753 -1.075 1.00 0.00 C ATOM 213 CG LEU A 18 -20.691 -14.340 -0.556 1.00 0.00 C ATOM 214 CD1 LEU A 18 -20.132 -14.174 0.849 1.00 0.00 C ATOM 215 CD2 LEU A 18 -20.093 -13.305 -1.496 1.00 0.00 C ATOM 0 H LEU A 18 -22.863 -15.652 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.734 -15.404 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.774 -16.465 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.348 -15.888 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.769 -14.185 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.330 -13.162 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.609 -14.891 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.056 -14.350 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.292 -12.305 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.016 -13.459 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.542 -13.408 -2.484 1.00 0.00 H new ATOM 227 N SER A 19 -19.458 -17.620 -3.410 1.00 0.00 N ATOM 228 CA SER A 19 -18.939 -18.906 -3.863 1.00 0.00 C ATOM 229 C SER A 19 -18.070 -19.549 -2.787 1.00 0.00 C ATOM 230 O SER A 19 -17.839 -18.965 -1.728 1.00 0.00 O ATOM 231 CB SER A 19 -18.131 -18.729 -5.150 1.00 0.00 C ATOM 232 OG SER A 19 -16.841 -18.211 -4.875 1.00 0.00 O ATOM 0 H SER A 19 -18.831 -16.832 -3.570 1.00 0.00 H new ATOM 0 HA SER A 19 -19.786 -19.563 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.040 -19.688 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.660 -18.057 -5.826 1.00 0.00 H new ATOM 0 HG SER A 19 -16.344 -18.109 -5.713 1.00 0.00 H new ATOM 238 N ILE A 20 -17.591 -20.757 -3.066 1.00 0.00 N ATOM 239 CA ILE A 20 -16.746 -21.480 -2.124 1.00 0.00 C ATOM 240 C ILE A 20 -15.457 -20.716 -1.842 1.00 0.00 C ATOM 241 O ILE A 20 -14.949 -20.729 -0.722 1.00 0.00 O ATOM 242 CB ILE A 20 -16.393 -22.885 -2.648 1.00 0.00 C ATOM 243 CG1 ILE A 20 -17.667 -23.664 -2.982 1.00 0.00 C ATOM 244 CG2 ILE A 20 -15.559 -23.638 -1.623 1.00 0.00 C ATOM 245 CD1 ILE A 20 -17.402 -25.034 -3.566 1.00 0.00 C ATOM 0 H ILE A 20 -17.774 -21.255 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.316 -21.578 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.805 -22.779 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.264 -23.773 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -18.262 -23.086 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.317 -24.629 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.637 -23.089 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -16.124 -23.736 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -18.350 -25.529 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -16.831 -24.932 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -16.834 -25.630 -2.852 1.00 0.00 H new ATOM 257 N GLU A 21 -14.936 -20.048 -2.867 1.00 0.00 N ATOM 258 CA GLU A 21 -13.706 -19.277 -2.729 1.00 0.00 C ATOM 259 C GLU A 21 -13.959 -17.983 -1.961 1.00 0.00 C ATOM 260 O GLU A 21 -13.060 -17.449 -1.312 1.00 0.00 O ATOM 261 CB GLU A 21 -13.119 -18.959 -4.106 1.00 0.00 C ATOM 262 CG GLU A 21 -11.754 -19.583 -4.344 1.00 0.00 C ATOM 263 CD GLU A 21 -11.335 -19.529 -5.800 1.00 0.00 C ATOM 264 OE1 GLU A 21 -11.705 -20.448 -6.560 1.00 0.00 O ATOM 265 OE2 GLU A 21 -10.636 -18.566 -6.180 1.00 0.00 O ATOM 0 H GLU A 21 -15.346 -20.025 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.991 -19.879 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.808 -19.308 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.039 -17.878 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.011 -19.066 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.770 -20.621 -4.013 1.00 0.00 H new ATOM 272 N GLU A 22 -15.189 -17.485 -2.041 1.00 0.00 N ATOM 273 CA GLU A 22 -15.560 -16.253 -1.355 1.00 0.00 C ATOM 274 C GLU A 22 -15.703 -16.488 0.146 1.00 0.00 C ATOM 275 O GLU A 22 -15.291 -15.659 0.958 1.00 0.00 O ATOM 276 CB GLU A 22 -16.869 -15.701 -1.923 1.00 0.00 C ATOM 277 CG GLU A 22 -16.682 -14.855 -3.171 1.00 0.00 C ATOM 278 CD GLU A 22 -16.375 -13.404 -2.853 1.00 0.00 C ATOM 279 OE1 GLU A 22 -15.667 -13.152 -1.856 1.00 0.00 O ATOM 280 OE2 GLU A 22 -16.844 -12.521 -3.601 1.00 0.00 O ATOM 0 H GLU A 22 -15.945 -17.916 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.766 -15.524 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.534 -16.533 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.363 -15.101 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.871 -15.271 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.585 -14.906 -3.779 1.00 0.00 H new ATOM 287 N VAL A 23 -16.291 -17.624 0.508 1.00 0.00 N ATOM 288 CA VAL A 23 -16.489 -17.969 1.910 1.00 0.00 C ATOM 289 C VAL A 23 -15.181 -17.876 2.689 1.00 0.00 C ATOM 290 O VAL A 23 -15.167 -17.468 3.851 1.00 0.00 O ATOM 291 CB VAL A 23 -17.063 -19.390 2.063 1.00 0.00 C ATOM 292 CG1 VAL A 23 -17.252 -19.735 3.532 1.00 0.00 C ATOM 293 CG2 VAL A 23 -18.375 -19.518 1.303 1.00 0.00 C ATOM 0 H VAL A 23 -16.638 -18.321 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -17.202 -17.251 2.314 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.352 -20.098 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.658 -20.743 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -16.291 -19.685 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.942 -19.025 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.767 -20.528 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -19.095 -18.801 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -18.204 -19.317 0.245 1.00 0.00 H new ATOM 303 N SER A 24 -14.084 -18.255 2.041 1.00 0.00 N ATOM 304 CA SER A 24 -12.771 -18.217 2.674 1.00 0.00 C ATOM 305 C SER A 24 -12.449 -16.811 3.172 1.00 0.00 C ATOM 306 O SER A 24 -11.753 -16.638 4.173 1.00 0.00 O ATOM 307 CB SER A 24 -11.695 -18.682 1.692 1.00 0.00 C ATOM 308 OG SER A 24 -12.274 -19.172 0.495 1.00 0.00 O ATOM 0 H SER A 24 -14.079 -18.592 1.078 1.00 0.00 H new ATOM 0 HA SER A 24 -12.787 -18.892 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.025 -17.853 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.090 -19.463 2.153 1.00 0.00 H new ATOM 0 HG SER A 24 -12.184 -18.499 -0.211 1.00 0.00 H new ATOM 314 N LYS A 25 -12.959 -15.809 2.465 1.00 0.00 N ATOM 315 CA LYS A 25 -12.729 -14.417 2.833 1.00 0.00 C ATOM 316 C LYS A 25 -13.852 -13.896 3.724 1.00 0.00 C ATOM 317 O LYS A 25 -13.646 -12.994 4.536 1.00 0.00 O ATOM 318 CB LYS A 25 -12.614 -13.548 1.579 1.00 0.00 C ATOM 319 CG LYS A 25 -11.393 -13.862 0.731 1.00 0.00 C ATOM 320 CD LYS A 25 -10.840 -12.613 0.066 1.00 0.00 C ATOM 321 CE LYS A 25 -10.379 -12.895 -1.355 1.00 0.00 C ATOM 322 NZ LYS A 25 -9.698 -11.718 -1.962 1.00 0.00 N ATOM 0 H LYS A 25 -13.535 -15.935 1.633 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.794 -14.365 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.510 -13.679 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.580 -12.500 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.622 -14.315 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.657 -14.595 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.605 -11.837 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.005 -12.228 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.699 -13.747 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.237 -13.173 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.399 -11.951 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.355 -10.912 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.864 -11.468 -1.393 1.00 0.00 H new ATOM 336 N SER A 26 -15.040 -14.471 3.567 1.00 0.00 N ATOM 337 CA SER A 26 -16.197 -14.063 4.356 1.00 0.00 C ATOM 338 C SER A 26 -15.886 -14.126 5.849 1.00 0.00 C ATOM 339 O SER A 26 -16.184 -13.194 6.597 1.00 0.00 O ATOM 340 CB SER A 26 -17.399 -14.954 4.036 1.00 0.00 C ATOM 341 OG SER A 26 -17.649 -14.991 2.642 1.00 0.00 O ATOM 0 H SER A 26 -15.227 -15.221 2.901 1.00 0.00 H new ATOM 0 HA SER A 26 -16.438 -13.032 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.215 -15.964 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.281 -14.581 4.557 1.00 0.00 H new ATOM 0 HG SER A 26 -16.829 -15.247 2.169 1.00 0.00 H new ATOM 347 N LEU A 27 -15.285 -15.231 6.275 1.00 0.00 N ATOM 348 CA LEU A 27 -14.933 -15.417 7.679 1.00 0.00 C ATOM 349 C LEU A 27 -13.766 -14.518 8.071 1.00 0.00 C ATOM 350 O LEU A 27 -13.626 -14.136 9.234 1.00 0.00 O ATOM 351 CB LEU A 27 -14.576 -16.881 7.945 1.00 0.00 C ATOM 352 CG LEU A 27 -15.715 -17.889 7.790 1.00 0.00 C ATOM 353 CD1 LEU A 27 -15.204 -19.307 7.990 1.00 0.00 C ATOM 354 CD2 LEU A 27 -16.837 -17.581 8.771 1.00 0.00 C ATOM 0 H LEU A 27 -15.031 -16.012 5.669 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.797 -15.144 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.771 -17.166 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.183 -16.960 8.959 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.112 -17.807 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.029 -20.010 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.436 -19.525 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.780 -19.404 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.639 -18.308 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.454 -17.634 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.223 -16.580 8.580 1.00 0.00 H new ATOM 366 N ARG A 28 -12.931 -14.180 7.094 1.00 0.00 N ATOM 367 CA ARG A 28 -11.776 -13.324 7.337 1.00 0.00 C ATOM 368 C ARG A 28 -12.203 -12.002 7.969 1.00 0.00 C ATOM 369 O ARG A 28 -11.438 -11.378 8.706 1.00 0.00 O ATOM 370 CB ARG A 28 -11.026 -13.059 6.030 1.00 0.00 C ATOM 371 CG ARG A 28 -9.516 -13.176 6.160 1.00 0.00 C ATOM 372 CD ARG A 28 -8.880 -13.640 4.859 1.00 0.00 C ATOM 373 NE ARG A 28 -7.710 -14.482 5.091 1.00 0.00 N ATOM 374 CZ ARG A 28 -6.507 -14.004 5.385 1.00 0.00 C ATOM 375 NH1 ARG A 28 -6.315 -12.695 5.481 1.00 0.00 N ATOM 376 NH2 ARG A 28 -5.491 -14.834 5.583 1.00 0.00 N ATOM 0 H ARG A 28 -13.033 -14.486 6.126 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.112 -13.840 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.373 -13.762 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.275 -12.059 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.098 -12.211 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.271 -13.878 6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.614 -14.193 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.590 -12.772 4.267 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.823 -15.493 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.093 -12.053 5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.390 -12.331 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.634 -15.841 5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.567 -14.465 5.809 1.00 0.00 H new ATOM 390 N PHE A 29 -13.428 -11.580 7.674 1.00 0.00 N ATOM 391 CA PHE A 29 -13.956 -10.331 8.211 1.00 0.00 C ATOM 392 C PHE A 29 -13.865 -10.313 9.735 1.00 0.00 C ATOM 393 O PHE A 29 -13.401 -9.338 10.327 1.00 0.00 O ATOM 394 CB PHE A 29 -15.410 -10.138 7.774 1.00 0.00 C ATOM 395 CG PHE A 29 -16.073 -8.948 8.408 1.00 0.00 C ATOM 396 CD1 PHE A 29 -15.555 -7.675 8.233 1.00 0.00 C ATOM 397 CD2 PHE A 29 -17.214 -9.103 9.177 1.00 0.00 C ATOM 398 CE1 PHE A 29 -16.162 -6.579 8.815 1.00 0.00 C ATOM 399 CE2 PHE A 29 -17.827 -8.010 9.762 1.00 0.00 C ATOM 400 CZ PHE A 29 -17.301 -6.747 9.580 1.00 0.00 C ATOM 0 H PHE A 29 -14.074 -12.084 7.066 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.354 -9.512 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.444 -10.028 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.978 -11.035 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -14.666 -7.538 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.630 -10.089 9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.747 -5.592 8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -18.716 -8.145 10.360 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.778 -5.891 10.034 1.00 0.00 H new ATOM 410 N ILE A 30 -14.311 -11.396 10.361 1.00 0.00 N ATOM 411 CA ILE A 30 -14.279 -11.505 11.814 1.00 0.00 C ATOM 412 C ILE A 30 -12.931 -12.029 12.297 1.00 0.00 C ATOM 413 O ILE A 30 -12.514 -11.757 13.422 1.00 0.00 O ATOM 414 CB ILE A 30 -15.394 -12.432 12.334 1.00 0.00 C ATOM 415 CG1 ILE A 30 -15.298 -13.805 11.666 1.00 0.00 C ATOM 416 CG2 ILE A 30 -16.759 -11.809 12.085 1.00 0.00 C ATOM 417 CD1 ILE A 30 -16.214 -14.841 12.280 1.00 0.00 C ATOM 0 H ILE A 30 -14.699 -12.211 9.885 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.438 -10.502 12.209 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.267 -12.563 13.409 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.537 -13.703 10.607 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.269 -14.159 11.728 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.537 -12.476 12.458 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.822 -10.852 12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.898 -11.652 11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.093 -15.789 11.757 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.961 -14.972 13.332 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -17.249 -14.509 12.194 1.00 0.00 H new ATOM 429 N GLY A 31 -12.252 -12.782 11.436 1.00 0.00 N ATOM 430 CA GLY A 31 -10.957 -13.332 11.792 1.00 0.00 C ATOM 431 C GLY A 31 -11.071 -14.638 12.552 1.00 0.00 C ATOM 432 O GLY A 31 -10.999 -14.658 13.782 1.00 0.00 O ATOM 0 H GLY A 31 -12.576 -13.021 10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.372 -13.492 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.413 -12.608 12.399 1.00 0.00 H new ATOM 436 N LEU A 32 -11.251 -15.733 11.821 1.00 0.00 N ATOM 437 CA LEU A 32 -11.376 -17.050 12.434 1.00 0.00 C ATOM 438 C LEU A 32 -10.084 -17.847 12.282 1.00 0.00 C ATOM 439 O LEU A 32 -9.100 -17.354 11.732 1.00 0.00 O ATOM 440 CB LEU A 32 -12.540 -17.819 11.804 1.00 0.00 C ATOM 441 CG LEU A 32 -13.938 -17.265 12.081 1.00 0.00 C ATOM 442 CD1 LEU A 32 -14.999 -18.160 11.461 1.00 0.00 C ATOM 443 CD2 LEU A 32 -14.168 -17.120 13.578 1.00 0.00 C ATOM 0 H LEU A 32 -11.314 -15.734 10.803 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.572 -16.911 13.497 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.389 -17.847 10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.503 -18.849 12.158 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.013 -16.278 11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.987 -17.750 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.847 -18.212 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.925 -19.161 11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.168 -16.724 13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.073 -18.095 14.057 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.428 -16.437 13.995 1.00 0.00 H new ATOM 455 N SER A 33 -10.096 -19.083 12.772 1.00 0.00 N ATOM 456 CA SER A 33 -8.925 -19.948 12.692 1.00 0.00 C ATOM 457 C SER A 33 -8.708 -20.438 11.264 1.00 0.00 C ATOM 458 O SER A 33 -9.661 -20.767 10.558 1.00 0.00 O ATOM 459 CB SER A 33 -9.082 -21.142 13.635 1.00 0.00 C ATOM 460 OG SER A 33 -8.402 -20.919 14.858 1.00 0.00 O ATOM 0 H SER A 33 -10.904 -19.507 13.228 1.00 0.00 H new ATOM 0 HA SER A 33 -8.053 -19.367 12.994 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.140 -21.318 13.830 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.692 -22.041 13.157 1.00 0.00 H new ATOM 0 HG SER A 33 -8.519 -21.696 15.444 1.00 0.00 H new ATOM 466 N GLU A 34 -7.447 -20.484 10.846 1.00 0.00 N ATOM 467 CA GLU A 34 -7.104 -20.933 9.501 1.00 0.00 C ATOM 468 C GLU A 34 -7.684 -22.317 9.226 1.00 0.00 C ATOM 469 O GLU A 34 -8.110 -22.613 8.109 1.00 0.00 O ATOM 470 CB GLU A 34 -5.585 -20.958 9.320 1.00 0.00 C ATOM 471 CG GLU A 34 -4.915 -19.625 9.607 1.00 0.00 C ATOM 472 CD GLU A 34 -3.420 -19.657 9.356 1.00 0.00 C ATOM 473 OE1 GLU A 34 -2.837 -20.761 9.393 1.00 0.00 O ATOM 474 OE2 GLU A 34 -2.833 -18.579 9.124 1.00 0.00 O ATOM 0 H GLU A 34 -6.646 -20.216 11.419 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.535 -20.230 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.162 -21.717 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.354 -21.258 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.368 -18.854 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.099 -19.346 10.644 1.00 0.00 H new ATOM 481 N ASP A 35 -7.695 -23.162 10.251 1.00 0.00 N ATOM 482 CA ASP A 35 -8.222 -24.515 10.121 1.00 0.00 C ATOM 483 C ASP A 35 -9.726 -24.491 9.869 1.00 0.00 C ATOM 484 O ASP A 35 -10.249 -25.290 9.092 1.00 0.00 O ATOM 485 CB ASP A 35 -7.917 -25.327 11.381 1.00 0.00 C ATOM 486 CG ASP A 35 -7.607 -26.779 11.073 1.00 0.00 C ATOM 487 OD1 ASP A 35 -8.550 -27.530 10.746 1.00 0.00 O ATOM 488 OD2 ASP A 35 -6.422 -27.165 11.159 1.00 0.00 O ATOM 0 H ASP A 35 -7.345 -22.934 11.181 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.736 -24.987 9.267 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.070 -24.880 11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.770 -25.276 12.058 1.00 0.00 H new ATOM 493 N VAL A 36 -10.418 -23.569 10.532 1.00 0.00 N ATOM 494 CA VAL A 36 -11.862 -23.440 10.380 1.00 0.00 C ATOM 495 C VAL A 36 -12.229 -23.014 8.962 1.00 0.00 C ATOM 496 O VAL A 36 -13.050 -23.654 8.305 1.00 0.00 O ATOM 497 CB VAL A 36 -12.443 -22.420 11.377 1.00 0.00 C ATOM 498 CG1 VAL A 36 -13.948 -22.294 11.197 1.00 0.00 C ATOM 499 CG2 VAL A 36 -12.099 -22.816 12.805 1.00 0.00 C ATOM 0 H VAL A 36 -10.001 -22.900 11.180 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.291 -24.421 10.585 1.00 0.00 H new ATOM 0 HB VAL A 36 -11.995 -21.447 11.176 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.340 -21.569 11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.166 -21.960 10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.417 -23.263 11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.517 -22.084 13.496 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.517 -23.799 13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.016 -22.848 12.923 1.00 0.00 H new ATOM 509 N ILE A 37 -11.616 -21.931 8.498 1.00 0.00 N ATOM 510 CA ILE A 37 -11.877 -21.421 7.158 1.00 0.00 C ATOM 511 C ILE A 37 -11.725 -22.521 6.112 1.00 0.00 C ATOM 512 O ILE A 37 -12.634 -22.769 5.320 1.00 0.00 O ATOM 513 CB ILE A 37 -10.933 -20.257 6.804 1.00 0.00 C ATOM 514 CG1 ILE A 37 -11.085 -19.122 7.818 1.00 0.00 C ATOM 515 CG2 ILE A 37 -11.213 -19.757 5.395 1.00 0.00 C ATOM 516 CD1 ILE A 37 -10.020 -18.056 7.696 1.00 0.00 C ATOM 0 H ILE A 37 -10.935 -21.389 9.030 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.905 -21.058 7.153 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.905 -20.618 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.065 -18.661 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.057 -19.539 8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.538 -18.934 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.058 -20.568 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.244 -19.410 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.191 -17.284 8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.038 -18.503 7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.062 -17.612 6.702 1.00 0.00 H new ATOM 528 N SER A 38 -10.570 -23.178 6.116 1.00 0.00 N ATOM 529 CA SER A 38 -10.297 -24.251 5.167 1.00 0.00 C ATOM 530 C SER A 38 -11.273 -25.408 5.359 1.00 0.00 C ATOM 531 O SER A 38 -11.568 -26.148 4.421 1.00 0.00 O ATOM 532 CB SER A 38 -8.859 -24.749 5.327 1.00 0.00 C ATOM 533 OG SER A 38 -8.319 -25.157 4.082 1.00 0.00 O ATOM 0 H SER A 38 -9.808 -22.986 6.766 1.00 0.00 H new ATOM 0 HA SER A 38 -10.426 -23.854 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.242 -23.958 5.753 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.836 -25.583 6.028 1.00 0.00 H new ATOM 0 HG SER A 38 -7.399 -25.469 4.211 1.00 0.00 H new ATOM 539 N PHE A 39 -11.769 -25.558 6.582 1.00 0.00 N ATOM 540 CA PHE A 39 -12.711 -26.625 6.900 1.00 0.00 C ATOM 541 C PHE A 39 -14.008 -26.458 6.113 1.00 0.00 C ATOM 542 O PHE A 39 -14.713 -27.430 5.843 1.00 0.00 O ATOM 543 CB PHE A 39 -13.010 -26.641 8.400 1.00 0.00 C ATOM 544 CG PHE A 39 -12.597 -27.915 9.080 1.00 0.00 C ATOM 545 CD1 PHE A 39 -13.039 -29.141 8.610 1.00 0.00 C ATOM 546 CD2 PHE A 39 -11.767 -27.886 10.190 1.00 0.00 C ATOM 547 CE1 PHE A 39 -12.661 -30.315 9.234 1.00 0.00 C ATOM 548 CE2 PHE A 39 -11.386 -29.057 10.818 1.00 0.00 C ATOM 549 CZ PHE A 39 -11.833 -30.273 10.339 1.00 0.00 C ATOM 0 H PHE A 39 -11.534 -24.954 7.370 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.255 -27.574 6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.498 -25.803 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.079 -26.488 8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.686 -29.180 7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.414 -26.938 10.568 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.013 -31.264 8.858 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.739 -29.021 11.682 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.536 -31.189 10.827 1.00 0.00 H new ATOM 559 N PHE A 40 -14.316 -25.217 5.749 1.00 0.00 N ATOM 560 CA PHE A 40 -15.528 -24.921 4.995 1.00 0.00 C ATOM 561 C PHE A 40 -15.330 -25.211 3.510 1.00 0.00 C ATOM 562 O PHE A 40 -16.076 -25.987 2.912 1.00 0.00 O ATOM 563 CB PHE A 40 -15.932 -23.458 5.191 1.00 0.00 C ATOM 564 CG PHE A 40 -16.804 -23.232 6.393 1.00 0.00 C ATOM 565 CD1 PHE A 40 -16.487 -23.808 7.613 1.00 0.00 C ATOM 566 CD2 PHE A 40 -17.940 -22.445 6.302 1.00 0.00 C ATOM 567 CE1 PHE A 40 -17.288 -23.602 8.721 1.00 0.00 C ATOM 568 CE2 PHE A 40 -18.744 -22.235 7.407 1.00 0.00 C ATOM 569 CZ PHE A 40 -18.418 -22.815 8.617 1.00 0.00 C ATOM 0 H PHE A 40 -13.743 -24.401 5.964 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.324 -25.564 5.370 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.032 -22.851 5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -16.458 -23.112 4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -15.605 -24.425 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.201 -21.990 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -17.030 -24.056 9.666 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -19.626 -21.618 7.324 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.046 -22.653 9.481 1.00 0.00 H new ATOM 579 N VAL A 41 -14.318 -24.582 2.920 1.00 0.00 N ATOM 580 CA VAL A 41 -14.020 -24.772 1.506 1.00 0.00 C ATOM 581 C VAL A 41 -13.836 -26.249 1.177 1.00 0.00 C ATOM 582 O VAL A 41 -14.358 -26.744 0.177 1.00 0.00 O ATOM 583 CB VAL A 41 -12.752 -24.003 1.091 1.00 0.00 C ATOM 584 CG1 VAL A 41 -12.448 -24.228 -0.382 1.00 0.00 C ATOM 585 CG2 VAL A 41 -12.906 -22.520 1.392 1.00 0.00 C ATOM 0 H VAL A 41 -13.691 -23.936 3.400 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.871 -24.382 0.948 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.912 -24.383 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.549 -23.677 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.291 -25.291 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.286 -23.878 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.001 -21.992 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.757 -22.123 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.070 -22.381 2.460 1.00 0.00 H new ATOM 595 N THR A 42 -13.091 -26.951 2.025 1.00 0.00 N ATOM 596 CA THR A 42 -12.837 -28.372 1.825 1.00 0.00 C ATOM 597 C THR A 42 -14.129 -29.177 1.900 1.00 0.00 C ATOM 598 O THR A 42 -14.226 -30.265 1.334 1.00 0.00 O ATOM 599 CB THR A 42 -11.844 -28.917 2.868 1.00 0.00 C ATOM 600 OG1 THR A 42 -11.456 -30.252 2.524 1.00 0.00 O ATOM 601 CG2 THR A 42 -12.459 -28.905 4.259 1.00 0.00 C ATOM 0 H THR A 42 -12.653 -26.558 2.858 1.00 0.00 H new ATOM 0 HA THR A 42 -12.403 -28.479 0.831 1.00 0.00 H new ATOM 0 HB THR A 42 -10.965 -28.273 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.823 -30.591 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.739 -29.294 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.726 -27.884 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.353 -29.528 4.267 1.00 0.00 H new ATOM 609 N GLU A 43 -15.119 -28.635 2.602 1.00 0.00 N ATOM 610 CA GLU A 43 -16.406 -29.305 2.751 1.00 0.00 C ATOM 611 C GLU A 43 -17.405 -28.799 1.715 1.00 0.00 C ATOM 612 O GLU A 43 -18.618 -28.886 1.910 1.00 0.00 O ATOM 613 CB GLU A 43 -16.960 -29.085 4.160 1.00 0.00 C ATOM 614 CG GLU A 43 -16.481 -30.115 5.170 1.00 0.00 C ATOM 615 CD GLU A 43 -17.332 -31.370 5.171 1.00 0.00 C ATOM 616 OE1 GLU A 43 -18.560 -31.256 4.973 1.00 0.00 O ATOM 617 OE2 GLU A 43 -16.769 -32.467 5.371 1.00 0.00 O ATOM 0 H GLU A 43 -15.055 -27.734 3.076 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.252 -30.372 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.673 -28.091 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.049 -29.106 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.447 -30.382 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.490 -29.673 6.166 1.00 0.00 H new ATOM 624 N LYS A 44 -16.888 -28.270 0.611 1.00 0.00 N ATOM 625 CA LYS A 44 -17.733 -27.751 -0.458 1.00 0.00 C ATOM 626 C LYS A 44 -18.704 -26.703 0.077 1.00 0.00 C ATOM 627 O LYS A 44 -19.775 -26.490 -0.491 1.00 0.00 O ATOM 628 CB LYS A 44 -18.509 -28.890 -1.121 1.00 0.00 C ATOM 629 CG LYS A 44 -18.629 -28.748 -2.629 1.00 0.00 C ATOM 630 CD LYS A 44 -18.744 -30.101 -3.309 1.00 0.00 C ATOM 631 CE LYS A 44 -17.621 -30.318 -4.312 1.00 0.00 C ATOM 632 NZ LYS A 44 -16.428 -30.949 -3.682 1.00 0.00 N ATOM 0 H LYS A 44 -15.887 -28.189 0.433 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.089 -27.279 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.017 -29.835 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.508 -28.938 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.503 -28.143 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.759 -28.218 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.720 -30.890 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.706 -30.174 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.978 -30.949 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.337 -29.362 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.686 -31.080 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.071 -30.335 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.693 -31.873 -3.285 1.00 0.00 H new ATOM 646 N ILE A 45 -18.321 -26.051 1.170 1.00 0.00 N ATOM 647 CA ILE A 45 -19.157 -25.024 1.778 1.00 0.00 C ATOM 648 C ILE A 45 -19.128 -23.736 0.962 1.00 0.00 C ATOM 649 O ILE A 45 -18.077 -23.115 0.801 1.00 0.00 O ATOM 650 CB ILE A 45 -18.711 -24.715 3.220 1.00 0.00 C ATOM 651 CG1 ILE A 45 -18.753 -25.985 4.073 1.00 0.00 C ATOM 652 CG2 ILE A 45 -19.591 -23.633 3.827 1.00 0.00 C ATOM 653 CD1 ILE A 45 -20.144 -26.554 4.241 1.00 0.00 C ATOM 0 H ILE A 45 -17.437 -26.216 1.652 1.00 0.00 H new ATOM 0 HA ILE A 45 -20.174 -25.416 1.797 1.00 0.00 H new ATOM 0 HB ILE A 45 -17.684 -24.349 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.113 -26.740 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -18.337 -25.766 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -19.263 -23.426 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -19.515 -22.724 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -20.627 -23.972 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -20.098 -27.453 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -20.783 -25.815 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -20.555 -26.805 3.263 1.00 0.00 H new ATOM 665 N ASP A 46 -20.288 -23.340 0.451 1.00 0.00 N ATOM 666 CA ASP A 46 -20.396 -22.124 -0.346 1.00 0.00 C ATOM 667 C ASP A 46 -21.340 -21.123 0.314 1.00 0.00 C ATOM 668 O ASP A 46 -21.881 -21.380 1.388 1.00 0.00 O ATOM 669 CB ASP A 46 -20.889 -22.455 -1.756 1.00 0.00 C ATOM 670 CG ASP A 46 -21.914 -23.571 -1.764 1.00 0.00 C ATOM 671 OD1 ASP A 46 -23.008 -23.375 -1.194 1.00 0.00 O ATOM 672 OD2 ASP A 46 -21.623 -24.641 -2.339 1.00 0.00 O ATOM 0 H ASP A 46 -21.167 -23.843 0.574 1.00 0.00 H new ATOM 0 HA ASP A 46 -19.406 -21.673 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -21.325 -21.562 -2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -20.040 -22.741 -2.377 1.00 0.00 H new ATOM 677 N GLY A 47 -21.533 -19.980 -0.338 1.00 0.00 N ATOM 678 CA GLY A 47 -22.411 -18.958 0.201 1.00 0.00 C ATOM 679 C GLY A 47 -23.818 -19.469 0.439 1.00 0.00 C ATOM 680 O GLY A 47 -24.484 -19.055 1.387 1.00 0.00 O ATOM 0 H GLY A 47 -21.097 -19.744 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -21.999 -18.587 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.446 -18.114 -0.487 1.00 0.00 H new ATOM 684 N ASN A 48 -24.273 -20.370 -0.426 1.00 0.00 N ATOM 685 CA ASN A 48 -25.612 -20.936 -0.306 1.00 0.00 C ATOM 686 C ASN A 48 -25.662 -21.984 0.801 1.00 0.00 C ATOM 687 O ASN A 48 -26.714 -22.226 1.395 1.00 0.00 O ATOM 688 CB ASN A 48 -26.045 -21.561 -1.634 1.00 0.00 C ATOM 689 CG ASN A 48 -27.503 -21.292 -1.951 1.00 0.00 C ATOM 690 OD1 ASN A 48 -27.894 -20.154 -2.211 1.00 0.00 O ATOM 691 ND2 ASN A 48 -28.316 -22.342 -1.931 1.00 0.00 N ATOM 0 H ASN A 48 -23.735 -20.724 -1.217 1.00 0.00 H new ATOM 0 HA ASN A 48 -26.299 -20.129 -0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -25.423 -21.167 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -25.876 -22.637 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -29.308 -22.223 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -27.948 -23.267 -1.710 1.00 0.00 H new ATOM 698 N LEU A 49 -24.519 -22.603 1.075 1.00 0.00 N ATOM 699 CA LEU A 49 -24.432 -23.625 2.112 1.00 0.00 C ATOM 700 C LEU A 49 -24.294 -22.990 3.492 1.00 0.00 C ATOM 701 O LEU A 49 -24.887 -23.458 4.465 1.00 0.00 O ATOM 702 CB LEU A 49 -23.245 -24.552 1.844 1.00 0.00 C ATOM 703 CG LEU A 49 -23.393 -25.993 2.336 1.00 0.00 C ATOM 704 CD1 LEU A 49 -23.568 -26.025 3.846 1.00 0.00 C ATOM 705 CD2 LEU A 49 -24.567 -26.673 1.647 1.00 0.00 C ATOM 0 H LEU A 49 -23.640 -22.415 0.593 1.00 0.00 H new ATOM 0 HA LEU A 49 -25.353 -24.208 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -23.062 -24.573 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -22.360 -24.119 2.310 1.00 0.00 H new ATOM 0 HG LEU A 49 -22.484 -26.539 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -23.672 -27.058 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -22.697 -25.576 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -24.461 -25.464 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -24.658 -27.697 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -25.484 -26.127 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -24.401 -26.682 0.570 1.00 0.00 H new ATOM 717 N LEU A 50 -23.509 -21.922 3.570 1.00 0.00 N ATOM 718 CA LEU A 50 -23.294 -21.220 4.831 1.00 0.00 C ATOM 719 C LEU A 50 -24.623 -20.807 5.457 1.00 0.00 C ATOM 720 O LEU A 50 -24.915 -21.152 6.602 1.00 0.00 O ATOM 721 CB LEU A 50 -22.417 -19.987 4.608 1.00 0.00 C ATOM 722 CG LEU A 50 -22.173 -19.106 5.834 1.00 0.00 C ATOM 723 CD1 LEU A 50 -21.656 -19.941 6.996 1.00 0.00 C ATOM 724 CD2 LEU A 50 -21.195 -17.989 5.502 1.00 0.00 C ATOM 0 H LEU A 50 -23.010 -21.523 2.775 1.00 0.00 H new ATOM 0 HA LEU A 50 -22.786 -21.900 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -21.451 -20.317 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.876 -19.375 3.831 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.121 -18.656 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.488 -19.298 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.391 -20.705 7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -20.719 -20.419 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.033 -17.372 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -20.246 -18.419 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.604 -17.374 4.700 1.00 0.00 H new ATOM 736 N VAL A 51 -25.425 -20.068 4.698 1.00 0.00 N ATOM 737 CA VAL A 51 -26.724 -19.611 5.177 1.00 0.00 C ATOM 738 C VAL A 51 -27.584 -20.783 5.634 1.00 0.00 C ATOM 739 O VAL A 51 -28.461 -20.627 6.484 1.00 0.00 O ATOM 740 CB VAL A 51 -27.480 -18.828 4.087 1.00 0.00 C ATOM 741 CG1 VAL A 51 -26.869 -17.447 3.900 1.00 0.00 C ATOM 742 CG2 VAL A 51 -27.479 -19.602 2.778 1.00 0.00 C ATOM 0 H VAL A 51 -25.198 -19.773 3.748 1.00 0.00 H new ATOM 0 HA VAL A 51 -26.535 -18.951 6.023 1.00 0.00 H new ATOM 0 HB VAL A 51 -28.514 -18.701 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -27.416 -16.909 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -26.927 -16.893 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -25.825 -17.548 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -28.017 -19.034 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -26.452 -19.762 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -27.967 -20.565 2.925 1.00 0.00 H new ATOM 752 N GLN A 52 -27.327 -21.956 5.066 1.00 0.00 N ATOM 753 CA GLN A 52 -28.078 -23.156 5.416 1.00 0.00 C ATOM 754 C GLN A 52 -27.598 -23.731 6.745 1.00 0.00 C ATOM 755 O GLN A 52 -28.383 -24.295 7.509 1.00 0.00 O ATOM 756 CB GLN A 52 -27.944 -24.207 4.314 1.00 0.00 C ATOM 757 CG GLN A 52 -29.085 -24.184 3.309 1.00 0.00 C ATOM 758 CD GLN A 52 -29.462 -25.570 2.823 1.00 0.00 C ATOM 759 OE1 GLN A 52 -30.631 -25.956 2.859 1.00 0.00 O ATOM 760 NE2 GLN A 52 -28.472 -26.326 2.364 1.00 0.00 N ATOM 0 H GLN A 52 -26.604 -22.102 4.361 1.00 0.00 H new ATOM 0 HA GLN A 52 -29.127 -22.880 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -27.003 -24.050 3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -27.893 -25.195 4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -29.956 -23.713 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -28.800 -23.569 2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -27.518 -25.965 2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -28.665 -27.268 2.023 1.00 0.00 H new ATOM 769 N LEU A 53 -26.306 -23.584 7.014 1.00 0.00 N ATOM 770 CA LEU A 53 -25.720 -24.090 8.251 1.00 0.00 C ATOM 771 C LEU A 53 -26.397 -23.468 9.468 1.00 0.00 C ATOM 772 O LEU A 53 -26.798 -22.303 9.443 1.00 0.00 O ATOM 773 CB LEU A 53 -24.219 -23.798 8.284 1.00 0.00 C ATOM 774 CG LEU A 53 -23.350 -24.644 7.353 1.00 0.00 C ATOM 775 CD1 LEU A 53 -21.931 -24.098 7.304 1.00 0.00 C ATOM 776 CD2 LEU A 53 -23.349 -26.099 7.799 1.00 0.00 C ATOM 0 H LEU A 53 -25.644 -23.119 6.393 1.00 0.00 H new ATOM 0 HA LEU A 53 -25.875 -25.168 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -24.068 -22.748 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -23.864 -23.937 9.305 1.00 0.00 H new ATOM 0 HG LEU A 53 -23.771 -24.593 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -21.327 -24.713 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -21.948 -23.072 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.499 -24.117 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.725 -26.686 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -22.953 -26.169 8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -24.368 -26.486 7.780 1.00 0.00 H new ATOM 788 N THR A 54 -26.521 -24.251 10.535 1.00 0.00 N ATOM 789 CA THR A 54 -27.149 -23.778 11.763 1.00 0.00 C ATOM 790 C THR A 54 -26.255 -24.033 12.971 1.00 0.00 C ATOM 791 O THR A 54 -25.300 -24.806 12.895 1.00 0.00 O ATOM 792 CB THR A 54 -28.512 -24.456 11.994 1.00 0.00 C ATOM 793 OG1 THR A 54 -28.358 -25.879 11.993 1.00 0.00 O ATOM 794 CG2 THR A 54 -29.509 -24.047 10.920 1.00 0.00 C ATOM 0 H THR A 54 -26.195 -25.217 10.574 1.00 0.00 H new ATOM 0 HA THR A 54 -27.301 -22.705 11.647 1.00 0.00 H new ATOM 0 HB THR A 54 -28.894 -24.134 12.963 1.00 0.00 H new ATOM 0 HG1 THR A 54 -29.229 -26.302 12.142 1.00 0.00 H new ATOM 0 HG21 THR A 54 -30.464 -24.538 11.104 1.00 0.00 H new ATOM 0 HG22 THR A 54 -29.647 -22.966 10.944 1.00 0.00 H new ATOM 0 HG23 THR A 54 -29.131 -24.343 9.941 1.00 0.00 H new ATOM 802 N GLU A 55 -26.572 -23.380 14.084 1.00 0.00 N ATOM 803 CA GLU A 55 -25.796 -23.537 15.309 1.00 0.00 C ATOM 804 C GLU A 55 -25.785 -24.995 15.762 1.00 0.00 C ATOM 805 O GLU A 55 -24.838 -25.447 16.405 1.00 0.00 O ATOM 806 CB GLU A 55 -26.367 -22.652 16.418 1.00 0.00 C ATOM 807 CG GLU A 55 -25.328 -22.193 17.427 1.00 0.00 C ATOM 808 CD GLU A 55 -25.949 -21.647 18.698 1.00 0.00 C ATOM 809 OE1 GLU A 55 -27.134 -21.254 18.657 1.00 0.00 O ATOM 810 OE2 GLU A 55 -25.251 -21.611 19.732 1.00 0.00 O ATOM 0 H GLU A 55 -27.360 -22.737 14.163 1.00 0.00 H new ATOM 0 HA GLU A 55 -24.771 -23.230 15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -26.835 -21.777 15.968 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -27.151 -23.200 16.941 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -24.675 -23.030 17.677 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.702 -21.424 16.974 1.00 0.00 H new ATOM 817 N GLU A 56 -26.843 -25.723 15.421 1.00 0.00 N ATOM 818 CA GLU A 56 -26.955 -27.128 15.794 1.00 0.00 C ATOM 819 C GLU A 56 -26.030 -27.992 14.942 1.00 0.00 C ATOM 820 O GLU A 56 -25.314 -28.850 15.460 1.00 0.00 O ATOM 821 CB GLU A 56 -28.401 -27.606 15.641 1.00 0.00 C ATOM 822 CG GLU A 56 -29.281 -27.276 16.835 1.00 0.00 C ATOM 823 CD GLU A 56 -29.922 -28.508 17.445 1.00 0.00 C ATOM 824 OE1 GLU A 56 -30.343 -29.398 16.676 1.00 0.00 O ATOM 825 OE2 GLU A 56 -30.003 -28.581 18.688 1.00 0.00 O ATOM 0 H GLU A 56 -27.634 -25.364 14.887 1.00 0.00 H new ATOM 0 HA GLU A 56 -26.656 -27.225 16.838 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -28.831 -27.154 14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -28.404 -28.685 15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -28.684 -26.769 17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -30.061 -26.580 16.526 1.00 0.00 H new ATOM 832 N ILE A 57 -26.051 -27.760 13.634 1.00 0.00 N ATOM 833 CA ILE A 57 -25.214 -28.516 12.711 1.00 0.00 C ATOM 834 C ILE A 57 -23.746 -28.132 12.859 1.00 0.00 C ATOM 835 O ILE A 57 -22.852 -28.945 12.618 1.00 0.00 O ATOM 836 CB ILE A 57 -25.646 -28.294 11.249 1.00 0.00 C ATOM 837 CG1 ILE A 57 -27.112 -28.688 11.062 1.00 0.00 C ATOM 838 CG2 ILE A 57 -24.754 -29.090 10.307 1.00 0.00 C ATOM 839 CD1 ILE A 57 -27.719 -28.167 9.778 1.00 0.00 C ATOM 0 H ILE A 57 -26.639 -27.055 13.190 1.00 0.00 H new ATOM 0 HA ILE A 57 -25.339 -29.569 12.963 1.00 0.00 H new ATOM 0 HB ILE A 57 -25.541 -27.236 11.011 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -27.192 -29.775 11.077 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -27.691 -28.313 11.906 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -25.071 -28.923 9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -23.720 -28.766 10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -24.831 -30.151 10.543 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -28.760 -28.485 9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -27.671 -27.078 9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -27.165 -28.562 8.927 1.00 0.00 H new ATOM 851 N LEU A 58 -23.503 -26.889 13.260 1.00 0.00 N ATOM 852 CA LEU A 58 -22.142 -26.396 13.443 1.00 0.00 C ATOM 853 C LEU A 58 -21.485 -27.050 14.655 1.00 0.00 C ATOM 854 O LEU A 58 -20.261 -27.165 14.723 1.00 0.00 O ATOM 855 CB LEU A 58 -22.147 -24.876 13.610 1.00 0.00 C ATOM 856 CG LEU A 58 -22.435 -24.063 12.347 1.00 0.00 C ATOM 857 CD1 LEU A 58 -22.957 -22.681 12.709 1.00 0.00 C ATOM 858 CD2 LEU A 58 -21.184 -23.954 11.487 1.00 0.00 C ATOM 0 H LEU A 58 -24.231 -26.204 13.465 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.565 -26.656 12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.891 -24.616 14.363 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.177 -24.570 14.001 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.204 -24.580 11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -23.156 -22.117 11.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -23.878 -22.779 13.284 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -22.211 -22.155 13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -21.407 -23.372 10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -20.395 -23.460 12.054 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.853 -24.952 11.198 1.00 0.00 H new ATOM 870 N SER A 59 -22.306 -27.478 15.608 1.00 0.00 N ATOM 871 CA SER A 59 -21.805 -28.118 16.818 1.00 0.00 C ATOM 872 C SER A 59 -21.920 -29.636 16.716 1.00 0.00 C ATOM 873 O SER A 59 -21.161 -30.370 17.348 1.00 0.00 O ATOM 874 CB SER A 59 -22.574 -27.618 18.042 1.00 0.00 C ATOM 875 OG SER A 59 -21.831 -27.825 19.231 1.00 0.00 O ATOM 0 H SER A 59 -23.322 -27.393 15.566 1.00 0.00 H new ATOM 0 HA SER A 59 -20.753 -27.857 16.928 1.00 0.00 H new ATOM 0 HB2 SER A 59 -22.795 -26.557 17.928 1.00 0.00 H new ATOM 0 HB3 SER A 59 -23.530 -28.137 18.112 1.00 0.00 H new ATOM 0 HG SER A 59 -22.344 -27.496 19.999 1.00 0.00 H new ATOM 881 N GLU A 60 -22.876 -30.099 15.916 1.00 0.00 N ATOM 882 CA GLU A 60 -23.091 -31.529 15.732 1.00 0.00 C ATOM 883 C GLU A 60 -22.079 -32.110 14.748 1.00 0.00 C ATOM 884 O GLU A 60 -21.330 -33.028 15.081 1.00 0.00 O ATOM 885 CB GLU A 60 -24.513 -31.793 15.233 1.00 0.00 C ATOM 886 CG GLU A 60 -25.568 -31.698 16.323 1.00 0.00 C ATOM 887 CD GLU A 60 -26.315 -33.002 16.527 1.00 0.00 C ATOM 888 OE1 GLU A 60 -26.647 -33.660 15.520 1.00 0.00 O ATOM 889 OE2 GLU A 60 -26.567 -33.364 17.696 1.00 0.00 O ATOM 0 H GLU A 60 -23.513 -29.505 15.386 1.00 0.00 H new ATOM 0 HA GLU A 60 -22.955 -32.018 16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -24.751 -31.078 14.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -24.553 -32.786 14.785 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -25.092 -31.406 17.259 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -26.279 -30.912 16.068 1.00 0.00 H new ATOM 896 N ASP A 61 -22.065 -31.568 13.536 1.00 0.00 N ATOM 897 CA ASP A 61 -21.145 -32.031 12.502 1.00 0.00 C ATOM 898 C ASP A 61 -19.767 -31.403 12.681 1.00 0.00 C ATOM 899 O ASP A 61 -18.822 -32.066 13.109 1.00 0.00 O ATOM 900 CB ASP A 61 -21.695 -31.698 11.114 1.00 0.00 C ATOM 901 CG ASP A 61 -22.534 -32.822 10.539 1.00 0.00 C ATOM 902 OD1 ASP A 61 -22.871 -33.758 11.295 1.00 0.00 O ATOM 903 OD2 ASP A 61 -22.854 -32.766 9.333 1.00 0.00 O ATOM 0 H ASP A 61 -22.680 -30.808 13.244 1.00 0.00 H new ATOM 0 HA ASP A 61 -21.046 -33.113 12.595 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -22.298 -30.792 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -20.866 -31.486 10.439 1.00 0.00 H new ATOM 908 N PHE A 62 -19.658 -30.121 12.349 1.00 0.00 N ATOM 909 CA PHE A 62 -18.394 -29.404 12.471 1.00 0.00 C ATOM 910 C PHE A 62 -17.819 -29.551 13.876 1.00 0.00 C ATOM 911 O PHE A 62 -16.616 -29.751 14.049 1.00 0.00 O ATOM 912 CB PHE A 62 -18.590 -27.922 12.140 1.00 0.00 C ATOM 913 CG PHE A 62 -18.638 -27.638 10.666 1.00 0.00 C ATOM 914 CD1 PHE A 62 -19.812 -27.813 9.951 1.00 0.00 C ATOM 915 CD2 PHE A 62 -17.509 -27.196 9.995 1.00 0.00 C ATOM 916 CE1 PHE A 62 -19.858 -27.553 8.595 1.00 0.00 C ATOM 917 CE2 PHE A 62 -17.550 -26.934 8.639 1.00 0.00 C ATOM 918 CZ PHE A 62 -18.726 -27.112 7.938 1.00 0.00 C ATOM 0 H PHE A 62 -20.430 -29.557 11.993 1.00 0.00 H new ATOM 0 HA PHE A 62 -17.689 -29.838 11.762 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -19.516 -27.575 12.599 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -17.778 -27.348 12.586 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -20.701 -28.156 10.459 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.586 -27.055 10.538 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -20.779 -27.695 8.049 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -16.663 -26.590 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.761 -26.907 6.878 1.00 0.00 H new ATOM 928 N LYS A 63 -18.686 -29.449 14.878 1.00 0.00 N ATOM 929 CA LYS A 63 -18.266 -29.571 16.269 1.00 0.00 C ATOM 930 C LYS A 63 -17.190 -28.544 16.605 1.00 0.00 C ATOM 931 O LYS A 63 -16.271 -28.822 17.377 1.00 0.00 O ATOM 932 CB LYS A 63 -17.742 -30.983 16.543 1.00 0.00 C ATOM 933 CG LYS A 63 -18.677 -32.081 16.066 1.00 0.00 C ATOM 934 CD LYS A 63 -19.037 -33.035 17.193 1.00 0.00 C ATOM 935 CE LYS A 63 -17.911 -34.018 17.473 1.00 0.00 C ATOM 936 NZ LYS A 63 -17.243 -33.740 18.774 1.00 0.00 N ATOM 0 H LYS A 63 -19.684 -29.282 14.752 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.133 -29.382 16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.775 -31.104 16.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.576 -31.099 17.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.586 -31.636 15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.205 -32.636 15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.257 -32.466 18.096 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.943 -33.582 16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.308 -35.033 17.478 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.176 -33.967 16.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.482 -34.431 18.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.842 -32.781 18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.938 -33.813 19.544 1.00 0.00 H new ATOM 950 N LEU A 64 -17.309 -27.356 16.022 1.00 0.00 N ATOM 951 CA LEU A 64 -16.347 -26.286 16.261 1.00 0.00 C ATOM 952 C LEU A 64 -16.471 -25.751 17.684 1.00 0.00 C ATOM 953 O LEU A 64 -17.360 -26.152 18.434 1.00 0.00 O ATOM 954 CB LEU A 64 -16.557 -25.152 15.256 1.00 0.00 C ATOM 955 CG LEU A 64 -16.194 -25.465 13.804 1.00 0.00 C ATOM 956 CD1 LEU A 64 -17.171 -24.791 12.853 1.00 0.00 C ATOM 957 CD2 LEU A 64 -14.767 -25.029 13.505 1.00 0.00 C ATOM 0 H LEU A 64 -18.063 -27.110 15.380 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.345 -26.695 16.133 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.604 -24.852 15.291 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.969 -24.293 15.579 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.261 -26.543 13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.897 -25.025 11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -18.180 -25.153 13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.137 -23.712 13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.526 -25.260 12.467 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.672 -23.956 13.670 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.079 -25.559 14.164 1.00 0.00 H new ATOM 969 N SER A 65 -15.573 -24.841 18.048 1.00 0.00 N ATOM 970 CA SER A 65 -15.580 -24.250 19.381 1.00 0.00 C ATOM 971 C SER A 65 -16.811 -23.371 19.579 1.00 0.00 C ATOM 972 O SER A 65 -17.378 -22.850 18.618 1.00 0.00 O ATOM 973 CB SER A 65 -14.310 -23.428 19.605 1.00 0.00 C ATOM 974 OG SER A 65 -13.150 -24.207 19.368 1.00 0.00 O ATOM 0 H SER A 65 -14.831 -24.497 17.438 1.00 0.00 H new ATOM 0 HA SER A 65 -15.612 -25.060 20.110 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.312 -22.562 18.943 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.294 -23.048 20.627 1.00 0.00 H new ATOM 0 HG SER A 65 -12.973 -24.246 18.405 1.00 0.00 H new ATOM 980 N LYS A 66 -17.219 -23.209 20.833 1.00 0.00 N ATOM 981 CA LYS A 66 -18.381 -22.391 21.161 1.00 0.00 C ATOM 982 C LYS A 66 -18.228 -20.980 20.603 1.00 0.00 C ATOM 983 O LYS A 66 -19.170 -20.418 20.042 1.00 0.00 O ATOM 984 CB LYS A 66 -18.578 -22.333 22.677 1.00 0.00 C ATOM 985 CG LYS A 66 -19.816 -21.561 23.100 1.00 0.00 C ATOM 986 CD LYS A 66 -19.604 -20.851 24.427 1.00 0.00 C ATOM 987 CE LYS A 66 -20.469 -21.452 25.525 1.00 0.00 C ATOM 988 NZ LYS A 66 -21.913 -21.156 25.316 1.00 0.00 N ATOM 0 H LYS A 66 -16.762 -23.634 21.640 1.00 0.00 H new ATOM 0 HA LYS A 66 -19.258 -22.850 20.704 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.643 -23.349 23.066 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.700 -21.874 23.132 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -20.070 -20.831 22.332 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.661 -22.244 23.183 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.554 -20.917 24.712 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.838 -19.792 24.316 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.320 -22.531 25.555 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.154 -21.059 26.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.445 -21.400 26.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.034 -20.144 25.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.270 -21.717 24.517 1.00 0.00 H new ATOM 1002 N LEU A 67 -17.037 -20.413 20.759 1.00 0.00 N ATOM 1003 CA LEU A 67 -16.760 -19.067 20.270 1.00 0.00 C ATOM 1004 C LEU A 67 -16.887 -19.003 18.751 1.00 0.00 C ATOM 1005 O LEU A 67 -17.338 -18.000 18.199 1.00 0.00 O ATOM 1006 CB LEU A 67 -15.359 -18.626 20.695 1.00 0.00 C ATOM 1007 CG LEU A 67 -15.293 -17.506 21.734 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -15.900 -16.227 21.179 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -16.002 -17.924 23.013 1.00 0.00 C ATOM 0 H LEU A 67 -16.247 -20.865 21.220 1.00 0.00 H new ATOM 0 HA LEU A 67 -17.495 -18.390 20.707 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.832 -19.494 21.092 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.817 -18.302 19.807 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.246 -17.314 21.969 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.844 -15.441 21.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.349 -15.918 20.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.943 -16.404 20.916 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.945 -17.115 23.741 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.047 -18.143 22.795 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.522 -18.814 23.421 1.00 0.00 H new ATOM 1021 N GLN A 68 -16.489 -20.081 18.083 1.00 0.00 N ATOM 1022 CA GLN A 68 -16.560 -20.147 16.628 1.00 0.00 C ATOM 1023 C GLN A 68 -18.006 -20.265 16.159 1.00 0.00 C ATOM 1024 O GLN A 68 -18.463 -19.487 15.322 1.00 0.00 O ATOM 1025 CB GLN A 68 -15.744 -21.333 16.110 1.00 0.00 C ATOM 1026 CG GLN A 68 -14.269 -21.020 15.921 1.00 0.00 C ATOM 1027 CD GLN A 68 -13.383 -22.233 16.129 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -13.866 -23.323 16.437 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -12.079 -22.050 15.961 1.00 0.00 N ATOM 0 H GLN A 68 -16.114 -20.920 18.526 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.141 -19.224 16.226 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.844 -22.165 16.808 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.162 -21.663 15.159 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -14.111 -20.627 14.917 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.975 -20.236 16.620 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.722 -21.129 15.706 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.434 -22.830 16.087 1.00 0.00 H new ATOM 1038 N VAL A 69 -18.721 -21.245 16.703 1.00 0.00 N ATOM 1039 CA VAL A 69 -20.116 -21.465 16.340 1.00 0.00 C ATOM 1040 C VAL A 69 -20.928 -20.181 16.473 1.00 0.00 C ATOM 1041 O VAL A 69 -21.883 -19.958 15.729 1.00 0.00 O ATOM 1042 CB VAL A 69 -20.758 -22.558 17.215 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -22.196 -22.808 16.788 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -19.942 -23.840 17.150 1.00 0.00 C ATOM 0 H VAL A 69 -18.357 -21.899 17.396 1.00 0.00 H new ATOM 0 HA VAL A 69 -20.125 -21.791 15.300 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.767 -22.213 18.249 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.633 -23.583 17.417 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.772 -21.888 16.893 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.215 -23.132 15.747 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.410 -24.601 17.774 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.899 -24.192 16.119 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.931 -23.647 17.510 1.00 0.00 H new ATOM 1054 N LYS A 70 -20.541 -19.339 17.425 1.00 0.00 N ATOM 1055 CA LYS A 70 -21.230 -18.075 17.655 1.00 0.00 C ATOM 1056 C LYS A 70 -20.778 -17.018 16.653 1.00 0.00 C ATOM 1057 O LYS A 70 -21.581 -16.215 16.176 1.00 0.00 O ATOM 1058 CB LYS A 70 -20.974 -17.584 19.082 1.00 0.00 C ATOM 1059 CG LYS A 70 -22.068 -16.676 19.618 1.00 0.00 C ATOM 1060 CD LYS A 70 -21.675 -16.055 20.948 1.00 0.00 C ATOM 1061 CE LYS A 70 -22.897 -15.646 21.755 1.00 0.00 C ATOM 1062 NZ LYS A 70 -23.115 -14.173 21.723 1.00 0.00 N ATOM 0 H LYS A 70 -19.753 -19.509 18.050 1.00 0.00 H new ATOM 0 HA LYS A 70 -22.299 -18.243 17.521 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -20.873 -18.446 19.741 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.024 -17.050 19.109 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.275 -15.888 18.894 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.989 -17.247 19.740 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.081 -16.766 21.521 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.046 -15.183 20.772 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.778 -16.152 21.361 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.776 -15.973 22.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.957 -13.934 22.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.285 -13.690 22.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.256 -13.864 20.740 1.00 0.00 H new ATOM 1076 N LYS A 71 -19.487 -17.023 16.336 1.00 0.00 N ATOM 1077 CA LYS A 71 -18.928 -16.067 15.389 1.00 0.00 C ATOM 1078 C LYS A 71 -19.458 -16.322 13.981 1.00 0.00 C ATOM 1079 O LYS A 71 -19.531 -15.406 13.161 1.00 0.00 O ATOM 1080 CB LYS A 71 -17.400 -16.149 15.392 1.00 0.00 C ATOM 1081 CG LYS A 71 -16.724 -14.885 15.895 1.00 0.00 C ATOM 1082 CD LYS A 71 -15.307 -15.160 16.368 1.00 0.00 C ATOM 1083 CE LYS A 71 -15.229 -15.229 17.886 1.00 0.00 C ATOM 1084 NZ LYS A 71 -15.415 -13.890 18.511 1.00 0.00 N ATOM 0 H LYS A 71 -18.808 -17.680 16.722 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.233 -15.067 15.698 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.091 -16.989 16.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.054 -16.358 14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.705 -14.141 15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.306 -14.461 16.714 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.956 -16.100 15.942 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.642 -14.377 16.004 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.992 -15.913 18.258 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.263 -15.637 18.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.093 -13.920 19.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.861 -13.183 17.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.422 -13.631 18.483 1.00 0.00 H new ATOM 1098 N ILE A 72 -19.827 -17.569 13.710 1.00 0.00 N ATOM 1099 CA ILE A 72 -20.352 -17.942 12.403 1.00 0.00 C ATOM 1100 C ILE A 72 -21.842 -17.633 12.300 1.00 0.00 C ATOM 1101 O ILE A 72 -22.279 -16.925 11.393 1.00 0.00 O ATOM 1102 CB ILE A 72 -20.129 -19.438 12.112 1.00 0.00 C ATOM 1103 CG1 ILE A 72 -18.638 -19.775 12.176 1.00 0.00 C ATOM 1104 CG2 ILE A 72 -20.703 -19.805 10.752 1.00 0.00 C ATOM 1105 CD1 ILE A 72 -18.358 -21.256 12.304 1.00 0.00 C ATOM 0 H ILE A 72 -19.772 -18.338 14.378 1.00 0.00 H new ATOM 0 HA ILE A 72 -19.809 -17.352 11.665 1.00 0.00 H new ATOM 0 HB ILE A 72 -20.648 -20.022 12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -18.150 -19.398 11.278 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -18.192 -19.255 13.024 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -20.537 -20.865 10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -21.773 -19.597 10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -20.211 -19.216 9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -17.281 -21.421 12.344 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -18.817 -21.636 13.217 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -18.774 -21.781 11.444 1.00 0.00 H new ATOM 1117 N MET A 73 -22.617 -18.168 13.238 1.00 0.00 N ATOM 1118 CA MET A 73 -24.059 -17.946 13.255 1.00 0.00 C ATOM 1119 C MET A 73 -24.380 -16.456 13.208 1.00 0.00 C ATOM 1120 O MET A 73 -25.269 -16.027 12.472 1.00 0.00 O ATOM 1121 CB MET A 73 -24.678 -18.574 14.506 1.00 0.00 C ATOM 1122 CG MET A 73 -25.357 -19.908 14.243 1.00 0.00 C ATOM 1123 SD MET A 73 -27.141 -19.750 14.033 1.00 0.00 S ATOM 1124 CE MET A 73 -27.242 -19.340 12.292 1.00 0.00 C ATOM 0 H MET A 73 -22.272 -18.758 13.995 1.00 0.00 H new ATOM 0 HA MET A 73 -24.485 -18.419 12.370 1.00 0.00 H new ATOM 0 HB2 MET A 73 -23.899 -18.713 15.256 1.00 0.00 H new ATOM 0 HB3 MET A 73 -25.407 -17.882 14.928 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.928 -20.359 13.348 1.00 0.00 H new ATOM 0 HG3 MET A 73 -25.151 -20.586 15.072 1.00 0.00 H new ATOM 0 HE1 MET A 73 -28.286 -19.332 11.980 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.806 -18.355 12.124 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.695 -20.083 11.711 1.00 0.00 H new ATOM 1134 N GLN A 74 -23.652 -15.673 13.997 1.00 0.00 N ATOM 1135 CA GLN A 74 -23.862 -14.231 14.045 1.00 0.00 C ATOM 1136 C GLN A 74 -23.456 -13.577 12.728 1.00 0.00 C ATOM 1137 O GLN A 74 -23.976 -12.524 12.359 1.00 0.00 O ATOM 1138 CB GLN A 74 -23.068 -13.616 15.199 1.00 0.00 C ATOM 1139 CG GLN A 74 -21.568 -13.584 14.955 1.00 0.00 C ATOM 1140 CD GLN A 74 -21.074 -12.213 14.536 1.00 0.00 C ATOM 1141 OE1 GLN A 74 -21.285 -11.223 15.238 1.00 0.00 O ATOM 1142 NE2 GLN A 74 -20.412 -12.148 13.387 1.00 0.00 N ATOM 0 H GLN A 74 -22.912 -16.013 14.611 1.00 0.00 H new ATOM 0 HA GLN A 74 -24.925 -14.050 14.207 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -23.422 -12.599 15.371 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -23.268 -14.182 16.109 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -21.049 -13.891 15.863 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -21.314 -14.309 14.182 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.260 -12.994 12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.055 -11.252 13.054 1.00 0.00 H new ATOM 1151 N PHE A 75 -22.524 -14.209 12.023 1.00 0.00 N ATOM 1152 CA PHE A 75 -22.046 -13.689 10.747 1.00 0.00 C ATOM 1153 C PHE A 75 -23.089 -13.894 9.652 1.00 0.00 C ATOM 1154 O PHE A 75 -23.205 -13.084 8.731 1.00 0.00 O ATOM 1155 CB PHE A 75 -20.735 -14.371 10.352 1.00 0.00 C ATOM 1156 CG PHE A 75 -20.200 -13.919 9.023 1.00 0.00 C ATOM 1157 CD1 PHE A 75 -19.684 -12.643 8.868 1.00 0.00 C ATOM 1158 CD2 PHE A 75 -20.214 -14.770 7.930 1.00 0.00 C ATOM 1159 CE1 PHE A 75 -19.190 -12.223 7.646 1.00 0.00 C ATOM 1160 CE2 PHE A 75 -19.722 -14.356 6.707 1.00 0.00 C ATOM 1161 CZ PHE A 75 -19.211 -13.081 6.564 1.00 0.00 C ATOM 0 H PHE A 75 -22.084 -15.082 12.314 1.00 0.00 H new ATOM 0 HA PHE A 75 -21.870 -12.619 10.862 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -19.987 -14.176 11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -20.890 -15.450 10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -19.667 -11.968 9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -20.614 -15.768 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -18.789 -11.226 7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -19.737 -15.030 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 75 -18.829 -12.755 5.608 1.00 0.00 H new ATOM 1171 N ILE A 76 -23.844 -14.982 9.758 1.00 0.00 N ATOM 1172 CA ILE A 76 -24.877 -15.293 8.778 1.00 0.00 C ATOM 1173 C ILE A 76 -26.068 -14.352 8.917 1.00 0.00 C ATOM 1174 O ILE A 76 -26.381 -13.591 8.002 1.00 0.00 O ATOM 1175 CB ILE A 76 -25.366 -16.746 8.918 1.00 0.00 C ATOM 1176 CG1 ILE A 76 -24.193 -17.719 8.781 1.00 0.00 C ATOM 1177 CG2 ILE A 76 -26.435 -17.048 7.878 1.00 0.00 C ATOM 1178 CD1 ILE A 76 -24.521 -19.128 9.221 1.00 0.00 C ATOM 0 H ILE A 76 -23.760 -15.663 10.513 1.00 0.00 H new ATOM 0 HA ILE A 76 -24.427 -15.163 7.794 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.804 -16.872 9.908 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -23.868 -17.739 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -23.354 -17.349 9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -26.771 -18.079 7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -27.280 -16.374 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -26.021 -16.908 6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.643 -19.762 9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -24.818 -19.122 10.270 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -25.339 -19.517 8.615 1.00 0.00 H new ATOM 1190 N ASN A 77 -26.728 -14.407 10.069 1.00 0.00 N ATOM 1191 CA ASN A 77 -27.885 -13.558 10.329 1.00 0.00 C ATOM 1192 C ASN A 77 -27.480 -12.088 10.385 1.00 0.00 C ATOM 1193 O ASN A 77 -28.278 -11.202 10.084 1.00 0.00 O ATOM 1194 CB ASN A 77 -28.557 -13.964 11.642 1.00 0.00 C ATOM 1195 CG ASN A 77 -29.624 -15.023 11.443 1.00 0.00 C ATOM 1196 OD1 ASN A 77 -30.613 -14.799 10.744 1.00 0.00 O ATOM 1197 ND2 ASN A 77 -29.429 -16.183 12.059 1.00 0.00 N ATOM 0 H ASN A 77 -26.481 -15.031 10.838 1.00 0.00 H new ATOM 0 HA ASN A 77 -28.593 -13.690 9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -27.802 -14.339 12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -29.004 -13.084 12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -30.114 -16.933 11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -28.595 -16.324 12.628 1.00 0.00 H new