USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 855 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 73 GLN : amide:sc= -3.68! C(o=-3.7!,f=-2.6!) USER MOD Set 1.2: A 80 GLN : amide:sc= -0.0168 X(o=-3.7,f=-3.3) USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= -0.0949 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -162:sc= -3.31 (180deg=-3.97!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.637 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.426 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -60:sc= 0.0374 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.86) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -0.0658 (180deg=-0.501) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.871 (180deg=-1.04) USER MOD Single : A 49 CYS SG : rot -77:sc= -0.958 USER MOD Single : A 50 GLN : amide:sc= -0.273 K(o=-0.27,f=-4!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.574 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.4!) USER MOD Single : A 70 CYS SG : rot -19:sc= -1.36! USER MOD Single : A 71 HIS : no HE2:sc= -2.66! C(o=-2.7!,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.0519 (180deg=-0.359) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0463 K(o=-0.046,f=-0.7!) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 1.21 (180deg=0.29) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -117:sc= 0.0699 (180deg=0) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.623 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 112:sc= 0.683 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.543 65.229 -37.393 1.00 0.00 N ATOM 2 CA GLY A 1 -3.704 64.078 -37.117 1.00 0.00 C ATOM 3 C GLY A 1 -2.617 64.382 -36.105 1.00 0.00 C ATOM 4 O GLY A 1 -2.902 64.646 -34.937 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.270 64.970 -38.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.002 65.542 -36.514 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.959 66.001 -37.773 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.323 63.261 -36.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.247 63.735 -38.045 1.00 0.00 H new ATOM 8 N SER A 2 -1.366 64.345 -36.553 1.00 0.00 N ATOM 9 CA SER A 2 -0.232 64.613 -35.677 1.00 0.00 C ATOM 10 C SER A 2 -0.413 63.926 -34.327 1.00 0.00 C ATOM 11 O SER A 2 -0.120 64.504 -33.280 1.00 0.00 O ATOM 12 CB SER A 2 -0.061 66.120 -35.477 1.00 0.00 C ATOM 13 OG SER A 2 -1.218 66.691 -34.891 1.00 0.00 O ATOM 0 H SER A 2 -1.112 64.132 -37.518 1.00 0.00 H new ATOM 0 HA SER A 2 0.664 64.212 -36.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.804 66.310 -34.841 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.138 66.597 -36.437 1.00 0.00 H new ATOM 0 HG SER A 2 -1.780 65.980 -34.517 1.00 0.00 H new ATOM 19 N SER A 3 -0.899 62.689 -34.360 1.00 0.00 N ATOM 20 CA SER A 3 -1.124 61.924 -33.140 1.00 0.00 C ATOM 21 C SER A 3 0.170 61.273 -32.661 1.00 0.00 C ATOM 22 O SER A 3 0.585 60.237 -33.178 1.00 0.00 O ATOM 23 CB SER A 3 -2.191 60.853 -33.374 1.00 0.00 C ATOM 24 OG SER A 3 -3.461 61.439 -33.599 1.00 0.00 O ATOM 0 H SER A 3 -1.144 62.196 -35.218 1.00 0.00 H new ATOM 0 HA SER A 3 -1.472 62.611 -32.369 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.913 60.240 -34.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.241 60.190 -32.510 1.00 0.00 H new ATOM 0 HG SER A 3 -4.125 60.734 -33.748 1.00 0.00 H new ATOM 30 N GLY A 4 0.803 61.889 -31.667 1.00 0.00 N ATOM 31 CA GLY A 4 2.043 61.357 -31.134 1.00 0.00 C ATOM 32 C GLY A 4 1.834 60.076 -30.350 1.00 0.00 C ATOM 33 O GLY A 4 2.430 59.045 -30.663 1.00 0.00 O ATOM 0 H GLY A 4 0.479 62.747 -31.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.736 61.169 -31.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.507 62.103 -30.489 1.00 0.00 H new ATOM 37 N SER A 5 0.988 60.141 -29.327 1.00 0.00 N ATOM 38 CA SER A 5 0.707 58.978 -28.493 1.00 0.00 C ATOM 39 C SER A 5 -0.024 57.902 -29.290 1.00 0.00 C ATOM 40 O SER A 5 -1.107 58.139 -29.825 1.00 0.00 O ATOM 41 CB SER A 5 -0.129 59.386 -27.278 1.00 0.00 C ATOM 42 OG SER A 5 -1.391 59.895 -27.675 1.00 0.00 O ATOM 0 H SER A 5 0.485 60.986 -29.056 1.00 0.00 H new ATOM 0 HA SER A 5 1.657 58.569 -28.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.270 58.525 -26.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.406 60.141 -26.701 1.00 0.00 H new ATOM 0 HG SER A 5 -1.634 59.523 -28.549 1.00 0.00 H new ATOM 48 N SER A 6 0.576 56.718 -29.363 1.00 0.00 N ATOM 49 CA SER A 6 -0.015 55.606 -30.097 1.00 0.00 C ATOM 50 C SER A 6 -0.263 54.417 -29.174 1.00 0.00 C ATOM 51 O SER A 6 0.509 54.161 -28.251 1.00 0.00 O ATOM 52 CB SER A 6 0.897 55.187 -31.252 1.00 0.00 C ATOM 53 OG SER A 6 0.271 54.214 -32.070 1.00 0.00 O ATOM 0 H SER A 6 1.471 56.505 -28.923 1.00 0.00 H new ATOM 0 HA SER A 6 -0.972 55.937 -30.501 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.153 56.060 -31.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.830 54.787 -30.856 1.00 0.00 H new ATOM 0 HG SER A 6 0.874 53.965 -32.801 1.00 0.00 H new ATOM 59 N GLY A 7 -1.348 53.692 -29.431 1.00 0.00 N ATOM 60 CA GLY A 7 -1.680 52.539 -28.615 1.00 0.00 C ATOM 61 C GLY A 7 -1.274 51.232 -29.266 1.00 0.00 C ATOM 62 O GLY A 7 -1.889 50.799 -30.241 1.00 0.00 O ATOM 0 H GLY A 7 -2.003 53.883 -30.190 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.186 52.628 -27.647 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.753 52.529 -28.425 1.00 0.00 H new ATOM 66 N ILE A 8 -0.234 50.603 -28.729 1.00 0.00 N ATOM 67 CA ILE A 8 0.253 49.338 -29.265 1.00 0.00 C ATOM 68 C ILE A 8 0.495 48.325 -28.150 1.00 0.00 C ATOM 69 O ILE A 8 0.552 48.683 -26.974 1.00 0.00 O ATOM 70 CB ILE A 8 1.557 49.529 -30.061 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.695 49.946 -29.127 1.00 0.00 C ATOM 72 CG2 ILE A 8 1.360 50.563 -31.159 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.694 51.422 -28.796 1.00 0.00 C ATOM 0 H ILE A 8 0.287 50.949 -27.923 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.520 48.960 -29.934 1.00 0.00 H new ATOM 0 HB ILE A 8 1.824 48.580 -30.526 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.623 49.374 -28.202 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.647 49.686 -29.589 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.290 50.687 -31.713 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.575 50.228 -31.838 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.073 51.516 -30.714 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.527 51.646 -28.130 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.797 52.001 -29.714 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.757 51.684 -28.305 1.00 0.00 H new ATOM 85 N ASP A 9 0.639 47.060 -28.529 1.00 0.00 N ATOM 86 CA ASP A 9 0.878 45.995 -27.562 1.00 0.00 C ATOM 87 C ASP A 9 2.301 46.067 -27.015 1.00 0.00 C ATOM 88 O ASP A 9 3.254 46.279 -27.764 1.00 0.00 O ATOM 89 CB ASP A 9 0.635 44.629 -28.205 1.00 0.00 C ATOM 90 CG ASP A 9 1.076 43.483 -27.316 1.00 0.00 C ATOM 91 OD1 ASP A 9 0.794 43.534 -26.100 1.00 0.00 O ATOM 92 OD2 ASP A 9 1.703 42.536 -27.835 1.00 0.00 O ATOM 0 H ASP A 9 0.594 46.747 -29.499 1.00 0.00 H new ATOM 0 HA ASP A 9 0.182 46.127 -26.734 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.426 44.521 -28.432 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.171 44.577 -29.153 1.00 0.00 H new ATOM 97 N SER A 10 2.435 45.891 -25.705 1.00 0.00 N ATOM 98 CA SER A 10 3.740 45.941 -25.056 1.00 0.00 C ATOM 99 C SER A 10 4.025 44.643 -24.307 1.00 0.00 C ATOM 100 O SER A 10 5.030 43.978 -24.552 1.00 0.00 O ATOM 101 CB SER A 10 3.809 47.126 -24.091 1.00 0.00 C ATOM 102 OG SER A 10 5.034 47.134 -23.379 1.00 0.00 O ATOM 0 H SER A 10 1.656 45.712 -25.072 1.00 0.00 H new ATOM 0 HA SER A 10 4.498 46.067 -25.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.702 48.058 -24.646 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.977 47.076 -23.389 1.00 0.00 H new ATOM 0 HG SER A 10 5.054 47.902 -22.770 1.00 0.00 H new ATOM 108 N GLY A 11 3.130 44.288 -23.389 1.00 0.00 N ATOM 109 CA GLY A 11 3.301 43.072 -22.617 1.00 0.00 C ATOM 110 C GLY A 11 3.691 43.349 -21.178 1.00 0.00 C ATOM 111 O GLY A 11 4.715 43.981 -20.915 1.00 0.00 O ATOM 0 H GLY A 11 2.290 44.822 -23.167 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.373 42.500 -22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.066 42.453 -23.085 1.00 0.00 H new ATOM 115 N LEU A 12 2.872 42.877 -20.244 1.00 0.00 N ATOM 116 CA LEU A 12 3.136 43.078 -18.824 1.00 0.00 C ATOM 117 C LEU A 12 2.635 41.893 -18.004 1.00 0.00 C ATOM 118 O LEU A 12 1.519 41.416 -18.203 1.00 0.00 O ATOM 119 CB LEU A 12 2.469 44.367 -18.339 1.00 0.00 C ATOM 120 CG LEU A 12 0.982 44.515 -18.662 1.00 0.00 C ATOM 121 CD1 LEU A 12 0.336 45.542 -17.744 1.00 0.00 C ATOM 122 CD2 LEU A 12 0.789 44.905 -20.120 1.00 0.00 C ATOM 0 H LEU A 12 2.020 42.353 -20.445 1.00 0.00 H new ATOM 0 HA LEU A 12 4.214 43.160 -18.688 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.594 44.433 -17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.001 45.213 -18.773 1.00 0.00 H new ATOM 0 HG LEU A 12 0.497 43.553 -18.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.722 45.634 -17.989 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.442 45.222 -16.708 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.824 46.507 -17.877 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.275 45.006 -20.332 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.289 45.855 -20.312 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.215 44.134 -20.762 1.00 0.00 H new ATOM 134 N SER A 13 3.469 41.425 -17.080 1.00 0.00 N ATOM 135 CA SER A 13 3.112 40.295 -16.230 1.00 0.00 C ATOM 136 C SER A 13 2.695 39.093 -17.072 1.00 0.00 C ATOM 137 O SER A 13 1.627 38.510 -16.883 1.00 0.00 O ATOM 138 CB SER A 13 1.978 40.683 -15.279 1.00 0.00 C ATOM 139 OG SER A 13 1.841 39.735 -14.235 1.00 0.00 O ATOM 0 H SER A 13 4.396 41.811 -16.901 1.00 0.00 H new ATOM 0 HA SER A 13 3.990 40.021 -15.645 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.175 41.668 -14.856 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.043 40.755 -15.834 1.00 0.00 H new ATOM 0 HG SER A 13 1.635 38.856 -14.616 1.00 0.00 H new ATOM 145 N PRO A 14 3.558 38.712 -18.026 1.00 0.00 N ATOM 146 CA PRO A 14 3.302 37.576 -18.917 1.00 0.00 C ATOM 147 C PRO A 14 3.369 36.240 -18.185 1.00 0.00 C ATOM 148 O PRO A 14 2.908 35.219 -18.695 1.00 0.00 O ATOM 149 CB PRO A 14 4.426 37.677 -19.951 1.00 0.00 C ATOM 150 CG PRO A 14 5.523 38.401 -19.250 1.00 0.00 C ATOM 151 CD PRO A 14 4.849 39.361 -18.308 1.00 0.00 C ATOM 0 HA PRO A 14 2.302 37.613 -19.349 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.751 36.690 -20.280 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.099 38.218 -20.839 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.164 37.707 -18.707 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.157 38.931 -19.960 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.432 39.508 -17.399 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.715 40.343 -18.763 1.00 0.00 H new ATOM 159 N SER A 15 3.946 36.254 -16.988 1.00 0.00 N ATOM 160 CA SER A 15 4.076 35.042 -16.187 1.00 0.00 C ATOM 161 C SER A 15 2.708 34.540 -15.735 1.00 0.00 C ATOM 162 O SER A 15 1.810 35.330 -15.443 1.00 0.00 O ATOM 163 CB SER A 15 4.965 35.303 -14.970 1.00 0.00 C ATOM 164 OG SER A 15 4.339 36.193 -14.062 1.00 0.00 O ATOM 0 H SER A 15 4.331 37.091 -16.551 1.00 0.00 H new ATOM 0 HA SER A 15 4.538 34.274 -16.807 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.185 34.361 -14.468 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.918 35.721 -15.295 1.00 0.00 H new ATOM 0 HG SER A 15 4.927 36.342 -13.292 1.00 0.00 H new ATOM 170 N VAL A 16 2.558 33.221 -15.679 1.00 0.00 N ATOM 171 CA VAL A 16 1.301 32.612 -15.261 1.00 0.00 C ATOM 172 C VAL A 16 1.040 32.852 -13.779 1.00 0.00 C ATOM 173 O VAL A 16 1.971 32.911 -12.975 1.00 0.00 O ATOM 174 CB VAL A 16 1.294 31.096 -15.534 1.00 0.00 C ATOM 175 CG1 VAL A 16 0.010 30.466 -15.015 1.00 0.00 C ATOM 176 CG2 VAL A 16 1.469 30.821 -17.019 1.00 0.00 C ATOM 0 H VAL A 16 3.291 32.553 -15.918 1.00 0.00 H new ATOM 0 HA VAL A 16 0.511 33.083 -15.846 1.00 0.00 H new ATOM 0 HB VAL A 16 2.133 30.645 -15.003 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.023 29.395 -15.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.068 30.632 -13.941 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.846 30.919 -15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.462 29.745 -17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.653 31.284 -17.573 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.418 31.237 -17.357 1.00 0.00 H new ATOM 186 N LEU A 17 -0.233 32.990 -13.423 1.00 0.00 N ATOM 187 CA LEU A 17 -0.618 33.224 -12.035 1.00 0.00 C ATOM 188 C LEU A 17 -1.080 31.930 -11.373 1.00 0.00 C ATOM 189 O LEU A 17 -0.623 31.579 -10.286 1.00 0.00 O ATOM 190 CB LEU A 17 -1.729 34.272 -11.963 1.00 0.00 C ATOM 191 CG LEU A 17 -1.354 35.681 -12.426 1.00 0.00 C ATOM 192 CD1 LEU A 17 -2.581 36.417 -12.942 1.00 0.00 C ATOM 193 CD2 LEU A 17 -0.700 36.458 -11.294 1.00 0.00 C ATOM 0 H LEU A 17 -1.015 32.944 -14.076 1.00 0.00 H new ATOM 0 HA LEU A 17 0.256 33.593 -11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.568 33.925 -12.565 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.079 34.331 -10.932 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.637 35.596 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.295 37.417 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.006 35.870 -13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.322 36.492 -12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.440 37.458 -11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.394 36.534 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.203 35.940 -10.971 1.00 0.00 H new ATOM 205 N MET A 18 -1.989 31.223 -12.038 1.00 0.00 N ATOM 206 CA MET A 18 -2.511 29.966 -11.515 1.00 0.00 C ATOM 207 C MET A 18 -1.377 28.992 -11.209 1.00 0.00 C ATOM 208 O MET A 18 -0.432 28.862 -11.986 1.00 0.00 O ATOM 209 CB MET A 18 -3.483 29.337 -12.515 1.00 0.00 C ATOM 210 CG MET A 18 -2.872 29.095 -13.886 1.00 0.00 C ATOM 211 SD MET A 18 -3.662 27.735 -14.768 1.00 0.00 S ATOM 212 CE MET A 18 -3.458 28.268 -16.465 1.00 0.00 C ATOM 0 H MET A 18 -2.379 31.499 -12.939 1.00 0.00 H new ATOM 0 HA MET A 18 -3.043 30.180 -10.588 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.842 28.389 -12.114 1.00 0.00 H new ATOM 0 HB3 MET A 18 -4.352 29.987 -12.623 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.953 30.005 -14.481 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.809 28.881 -13.773 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.898 27.528 -17.134 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.956 29.227 -16.607 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.396 28.374 -16.688 1.00 0.00 H new ATOM 222 N ALA A 19 -1.479 28.311 -10.072 1.00 0.00 N ATOM 223 CA ALA A 19 -0.463 27.348 -9.665 1.00 0.00 C ATOM 224 C ALA A 19 -1.029 25.932 -9.636 1.00 0.00 C ATOM 225 O ALA A 19 -2.241 25.736 -9.729 1.00 0.00 O ATOM 226 CB ALA A 19 0.102 27.721 -8.303 1.00 0.00 C ATOM 0 H ALA A 19 -2.255 28.408 -9.417 1.00 0.00 H new ATOM 0 HA ALA A 19 0.342 27.374 -10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.859 26.993 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.552 28.712 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.700 27.725 -7.565 1.00 0.00 H new ATOM 232 N SER A 20 -0.144 24.949 -9.507 1.00 0.00 N ATOM 233 CA SER A 20 -0.556 23.550 -9.470 1.00 0.00 C ATOM 234 C SER A 20 -0.962 23.141 -8.057 1.00 0.00 C ATOM 235 O SER A 20 -0.865 23.930 -7.119 1.00 0.00 O ATOM 236 CB SER A 20 0.577 22.650 -9.968 1.00 0.00 C ATOM 237 OG SER A 20 0.627 22.630 -11.384 1.00 0.00 O ATOM 0 H SER A 20 0.862 25.095 -9.426 1.00 0.00 H new ATOM 0 HA SER A 20 -1.419 23.433 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.529 23.005 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.433 21.637 -9.592 1.00 0.00 H new ATOM 0 HG SER A 20 1.360 22.050 -11.677 1.00 0.00 H new ATOM 243 N ASN A 21 -1.419 21.901 -7.916 1.00 0.00 N ATOM 244 CA ASN A 21 -1.842 21.385 -6.619 1.00 0.00 C ATOM 245 C ASN A 21 -2.096 19.883 -6.688 1.00 0.00 C ATOM 246 O ASN A 21 -2.146 19.300 -7.771 1.00 0.00 O ATOM 247 CB ASN A 21 -3.105 22.107 -6.147 1.00 0.00 C ATOM 248 CG ASN A 21 -4.361 21.560 -6.799 1.00 0.00 C ATOM 249 OD1 ASN A 21 -4.971 20.615 -6.300 1.00 0.00 O ATOM 250 ND2 ASN A 21 -4.752 22.155 -7.920 1.00 0.00 N ATOM 0 H ASN A 21 -1.506 21.235 -8.684 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.040 21.567 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.191 22.014 -5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.017 23.170 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.590 21.831 -8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.215 22.936 -8.297 1.00 0.00 H new ATOM 257 N SER A 22 -2.257 19.261 -5.524 1.00 0.00 N ATOM 258 CA SER A 22 -2.504 17.826 -5.451 1.00 0.00 C ATOM 259 C SER A 22 -3.793 17.534 -4.690 1.00 0.00 C ATOM 260 O SER A 22 -4.360 16.447 -4.799 1.00 0.00 O ATOM 261 CB SER A 22 -1.328 17.119 -4.774 1.00 0.00 C ATOM 262 OG SER A 22 -0.735 17.945 -3.787 1.00 0.00 O ATOM 0 H SER A 22 -2.221 19.729 -4.618 1.00 0.00 H new ATOM 0 HA SER A 22 -2.610 17.449 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.672 16.191 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.583 16.849 -5.522 1.00 0.00 H new ATOM 0 HG SER A 22 0.013 17.469 -3.368 1.00 0.00 H new ATOM 268 N GLY A 23 -4.252 18.514 -3.918 1.00 0.00 N ATOM 269 CA GLY A 23 -5.472 18.344 -3.149 1.00 0.00 C ATOM 270 C GLY A 23 -5.624 16.937 -2.608 1.00 0.00 C ATOM 271 O GLY A 23 -6.388 16.136 -3.148 1.00 0.00 O ATOM 0 H GLY A 23 -3.801 19.423 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.477 19.051 -2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.330 18.583 -3.777 1.00 0.00 H new ATOM 275 N ARG A 24 -4.895 16.633 -1.539 1.00 0.00 N ATOM 276 CA ARG A 24 -4.950 15.311 -0.927 1.00 0.00 C ATOM 277 C ARG A 24 -5.895 15.306 0.271 1.00 0.00 C ATOM 278 O ARG A 24 -5.549 14.813 1.345 1.00 0.00 O ATOM 279 CB ARG A 24 -3.553 14.869 -0.490 1.00 0.00 C ATOM 280 CG ARG A 24 -3.405 13.362 -0.353 1.00 0.00 C ATOM 281 CD ARG A 24 -1.949 12.958 -0.186 1.00 0.00 C ATOM 282 NE ARG A 24 -1.187 13.133 -1.420 1.00 0.00 N ATOM 283 CZ ARG A 24 -1.353 12.378 -2.500 1.00 0.00 C ATOM 284 NH1 ARG A 24 -2.250 11.401 -2.498 1.00 0.00 N ATOM 285 NH2 ARG A 24 -0.622 12.599 -3.584 1.00 0.00 N ATOM 0 H ARG A 24 -4.259 17.285 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.329 14.610 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.823 15.233 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.315 15.337 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.981 13.015 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.821 12.873 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.496 13.553 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.896 11.916 0.128 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.489 13.876 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.814 11.228 -1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.376 10.822 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.069 13.350 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.750 12.018 -4.413 1.00 0.00 H new ATOM 299 N ARG A 25 -7.089 15.859 0.079 1.00 0.00 N ATOM 300 CA ARG A 25 -8.082 15.920 1.144 1.00 0.00 C ATOM 301 C ARG A 25 -8.717 14.552 1.375 1.00 0.00 C ATOM 302 O ARG A 25 -8.489 13.614 0.611 1.00 0.00 O ATOM 303 CB ARG A 25 -9.165 16.945 0.802 1.00 0.00 C ATOM 304 CG ARG A 25 -10.052 16.529 -0.360 1.00 0.00 C ATOM 305 CD ARG A 25 -11.454 17.102 -0.224 1.00 0.00 C ATOM 306 NE ARG A 25 -11.481 18.544 -0.456 1.00 0.00 N ATOM 307 CZ ARG A 25 -11.376 19.097 -1.659 1.00 0.00 C ATOM 308 NH1 ARG A 25 -11.239 18.333 -2.734 1.00 0.00 N ATOM 309 NH2 ARG A 25 -11.409 20.417 -1.789 1.00 0.00 N ATOM 0 H ARG A 25 -7.391 16.271 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.577 16.226 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.787 17.111 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.690 17.897 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.609 16.867 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.105 15.441 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.118 16.608 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.838 16.888 0.773 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.586 19.160 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.214 17.318 -2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.159 18.760 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.515 21.008 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.328 20.841 -2.713 1.00 0.00 H new ATOM 323 N SER A 26 -9.513 14.445 2.434 1.00 0.00 N ATOM 324 CA SER A 26 -10.177 13.191 2.768 1.00 0.00 C ATOM 325 C SER A 26 -11.228 12.837 1.721 1.00 0.00 C ATOM 326 O SER A 26 -11.932 13.709 1.213 1.00 0.00 O ATOM 327 CB SER A 26 -10.828 13.286 4.149 1.00 0.00 C ATOM 328 OG SER A 26 -11.149 12.000 4.652 1.00 0.00 O ATOM 0 H SER A 26 -9.714 15.212 3.076 1.00 0.00 H new ATOM 0 HA SER A 26 -9.424 12.403 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.152 13.791 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.732 13.892 4.087 1.00 0.00 H new ATOM 0 HG SER A 26 -11.562 12.088 5.536 1.00 0.00 H new ATOM 334 N ALA A 27 -11.328 11.550 1.403 1.00 0.00 N ATOM 335 CA ALA A 27 -12.294 11.079 0.418 1.00 0.00 C ATOM 336 C ALA A 27 -12.648 9.614 0.653 1.00 0.00 C ATOM 337 O ALA A 27 -11.893 8.859 1.267 1.00 0.00 O ATOM 338 CB ALA A 27 -11.749 11.273 -0.989 1.00 0.00 C ATOM 0 H ALA A 27 -10.752 10.815 1.813 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.205 11.668 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.480 10.917 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.553 12.331 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.823 10.710 -1.101 1.00 0.00 H new ATOM 344 N PRO A 28 -13.823 9.202 0.156 1.00 0.00 N ATOM 345 CA PRO A 28 -14.303 7.824 0.300 1.00 0.00 C ATOM 346 C PRO A 28 -13.493 6.837 -0.533 1.00 0.00 C ATOM 347 O PRO A 28 -12.689 7.219 -1.384 1.00 0.00 O ATOM 348 CB PRO A 28 -15.745 7.897 -0.210 1.00 0.00 C ATOM 349 CG PRO A 28 -15.759 9.059 -1.142 1.00 0.00 C ATOM 350 CD PRO A 28 -14.773 10.048 -0.586 1.00 0.00 C ATOM 0 HA PRO A 28 -14.216 7.467 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.032 6.977 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -16.448 8.039 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.479 8.754 -2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -16.756 9.496 -1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.277 10.610 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.257 10.775 0.066 1.00 0.00 H new ATOM 358 N PRO A 29 -13.707 5.537 -0.285 1.00 0.00 N ATOM 359 CA PRO A 29 -13.006 4.468 -1.003 1.00 0.00 C ATOM 360 C PRO A 29 -13.445 4.363 -2.459 1.00 0.00 C ATOM 361 O PRO A 29 -14.459 4.939 -2.856 1.00 0.00 O ATOM 362 CB PRO A 29 -13.400 3.205 -0.233 1.00 0.00 C ATOM 363 CG PRO A 29 -14.707 3.540 0.399 1.00 0.00 C ATOM 364 CD PRO A 29 -14.650 5.009 0.715 1.00 0.00 C ATOM 0 HA PRO A 29 -11.931 4.641 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.491 2.347 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.652 2.949 0.517 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.535 3.318 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.865 2.952 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.631 5.477 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.300 5.188 1.732 1.00 0.00 H new ATOM 372 N LEU A 30 -12.677 3.624 -3.252 1.00 0.00 N ATOM 373 CA LEU A 30 -12.987 3.443 -4.666 1.00 0.00 C ATOM 374 C LEU A 30 -14.195 2.529 -4.846 1.00 0.00 C ATOM 375 O LEU A 30 -14.247 1.435 -4.285 1.00 0.00 O ATOM 376 CB LEU A 30 -11.780 2.861 -5.403 1.00 0.00 C ATOM 377 CG LEU A 30 -11.839 2.909 -6.930 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.439 2.835 -7.521 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.706 1.779 -7.466 1.00 0.00 C ATOM 0 H LEU A 30 -11.835 3.140 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.226 4.419 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.888 3.396 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.659 1.822 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.287 3.857 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.501 2.870 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.848 3.678 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.964 1.903 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.737 1.829 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.287 0.821 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.717 1.877 -7.070 1.00 0.00 H new ATOM 391 N ASN A 31 -15.164 2.985 -5.632 1.00 0.00 N ATOM 392 CA ASN A 31 -16.372 2.208 -5.887 1.00 0.00 C ATOM 393 C ASN A 31 -16.086 1.061 -6.852 1.00 0.00 C ATOM 394 O ASN A 31 -16.048 1.252 -8.068 1.00 0.00 O ATOM 395 CB ASN A 31 -17.471 3.107 -6.457 1.00 0.00 C ATOM 396 CG ASN A 31 -17.180 3.546 -7.879 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.708 2.980 -8.836 1.00 0.00 O ATOM 398 ND2 ASN A 31 -16.334 4.560 -8.024 1.00 0.00 N ATOM 0 H ASN A 31 -15.137 3.889 -6.104 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.711 1.788 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.422 2.574 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.582 3.987 -5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.099 4.899 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.920 5.000 -7.202 1.00 0.00 H new ATOM 405 N LEU A 32 -15.887 -0.132 -6.301 1.00 0.00 N ATOM 406 CA LEU A 32 -15.606 -1.311 -7.112 1.00 0.00 C ATOM 407 C LEU A 32 -16.838 -1.733 -7.906 1.00 0.00 C ATOM 408 O LEU A 32 -16.773 -1.923 -9.121 1.00 0.00 O ATOM 409 CB LEU A 32 -15.139 -2.466 -6.224 1.00 0.00 C ATOM 410 CG LEU A 32 -14.059 -2.126 -5.195 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.873 -3.276 -4.218 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.746 -1.796 -5.889 1.00 0.00 C ATOM 0 H LEU A 32 -15.915 -0.308 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.813 -1.056 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.005 -2.864 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.763 -3.263 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.381 -1.248 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.101 -3.017 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.811 -3.466 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.573 -4.171 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.990 -1.557 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.418 -2.655 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.888 -0.940 -6.548 1.00 0.00 H new ATOM 424 N THR A 33 -17.963 -1.875 -7.212 1.00 0.00 N ATOM 425 CA THR A 33 -19.211 -2.272 -7.852 1.00 0.00 C ATOM 426 C THR A 33 -19.312 -1.701 -9.262 1.00 0.00 C ATOM 427 O THR A 33 -19.374 -0.487 -9.447 1.00 0.00 O ATOM 428 CB THR A 33 -20.433 -1.812 -7.035 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.616 -1.888 -7.838 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.244 -0.387 -6.535 1.00 0.00 C ATOM 0 H THR A 33 -18.035 -1.721 -6.206 1.00 0.00 H new ATOM 0 HA THR A 33 -19.207 -3.361 -7.903 1.00 0.00 H new ATOM 0 HB THR A 33 -20.536 -2.472 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.389 -1.595 -7.311 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.119 -0.084 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.359 -0.338 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.118 0.283 -7.385 1.00 0.00 H new ATOM 438 N GLY A 34 -19.329 -2.586 -10.254 1.00 0.00 N ATOM 439 CA GLY A 34 -19.423 -2.151 -11.635 1.00 0.00 C ATOM 440 C GLY A 34 -18.132 -2.365 -12.400 1.00 0.00 C ATOM 441 O GLY A 34 -18.143 -2.885 -13.517 1.00 0.00 O ATOM 0 H GLY A 34 -19.279 -3.597 -10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.229 -2.694 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.687 -1.094 -11.662 1.00 0.00 H new ATOM 445 N LEU A 35 -17.017 -1.963 -11.801 1.00 0.00 N ATOM 446 CA LEU A 35 -15.711 -2.112 -12.434 1.00 0.00 C ATOM 447 C LEU A 35 -15.418 -3.578 -12.737 1.00 0.00 C ATOM 448 O LEU A 35 -15.766 -4.477 -11.972 1.00 0.00 O ATOM 449 CB LEU A 35 -14.617 -1.537 -11.533 1.00 0.00 C ATOM 450 CG LEU A 35 -14.470 -0.015 -11.543 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.763 0.461 -10.284 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.718 0.440 -12.785 1.00 0.00 C ATOM 0 H LEU A 35 -16.991 -1.531 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.725 -1.561 -13.374 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.812 -1.856 -10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.664 -1.976 -11.827 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.466 0.427 -11.564 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.667 1.547 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.342 0.168 -9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.772 0.011 -10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.623 1.526 -12.775 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.726 -0.011 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.266 0.132 -13.675 1.00 0.00 H new ATOM 464 N PRO A 36 -14.761 -3.826 -13.880 1.00 0.00 N ATOM 465 CA PRO A 36 -14.403 -5.181 -14.309 1.00 0.00 C ATOM 466 C PRO A 36 -13.317 -5.798 -13.436 1.00 0.00 C ATOM 467 O PRO A 36 -12.597 -5.092 -12.731 1.00 0.00 O ATOM 468 CB PRO A 36 -13.889 -4.977 -15.737 1.00 0.00 C ATOM 469 CG PRO A 36 -13.413 -3.566 -15.770 1.00 0.00 C ATOM 470 CD PRO A 36 -14.315 -2.802 -14.840 1.00 0.00 C ATOM 0 HA PRO A 36 -15.247 -5.867 -14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.083 -5.672 -15.971 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.678 -5.146 -16.470 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.374 -3.497 -15.449 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.462 -3.161 -16.781 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.785 -1.989 -14.343 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.156 -2.356 -15.372 1.00 0.00 H new ATOM 478 N GLY A 37 -13.203 -7.122 -13.487 1.00 0.00 N ATOM 479 CA GLY A 37 -12.201 -7.812 -12.695 1.00 0.00 C ATOM 480 C GLY A 37 -12.659 -8.064 -11.272 1.00 0.00 C ATOM 481 O GLY A 37 -12.113 -8.922 -10.578 1.00 0.00 O ATOM 0 H GLY A 37 -13.787 -7.729 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.959 -8.763 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.285 -7.222 -12.679 1.00 0.00 H new ATOM 485 N THR A 38 -13.665 -7.312 -10.834 1.00 0.00 N ATOM 486 CA THR A 38 -14.194 -7.456 -9.484 1.00 0.00 C ATOM 487 C THR A 38 -14.623 -8.893 -9.211 1.00 0.00 C ATOM 488 O THR A 38 -14.849 -9.275 -8.063 1.00 0.00 O ATOM 489 CB THR A 38 -15.395 -6.520 -9.249 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.046 -5.177 -9.603 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.841 -6.567 -7.795 1.00 0.00 C ATOM 0 H THR A 38 -14.129 -6.598 -11.395 1.00 0.00 H new ATOM 0 HA THR A 38 -13.391 -7.184 -8.799 1.00 0.00 H new ATOM 0 HB THR A 38 -16.219 -6.858 -9.877 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.051 -5.084 -10.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.690 -5.898 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.134 -7.585 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.019 -6.252 -7.152 1.00 0.00 H new ATOM 499 N GLU A 39 -14.731 -9.685 -10.273 1.00 0.00 N ATOM 500 CA GLU A 39 -15.134 -11.081 -10.146 1.00 0.00 C ATOM 501 C GLU A 39 -13.915 -11.985 -9.982 1.00 0.00 C ATOM 502 O GLU A 39 -13.909 -12.894 -9.152 1.00 0.00 O ATOM 503 CB GLU A 39 -15.944 -11.514 -11.369 1.00 0.00 C ATOM 504 CG GLU A 39 -15.092 -11.798 -12.595 1.00 0.00 C ATOM 505 CD GLU A 39 -15.917 -11.941 -13.859 1.00 0.00 C ATOM 506 OE1 GLU A 39 -16.335 -10.903 -14.414 1.00 0.00 O ATOM 507 OE2 GLU A 39 -16.144 -13.090 -14.293 1.00 0.00 O ATOM 0 H GLU A 39 -14.545 -9.384 -11.230 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.757 -11.174 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.514 -12.408 -11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.665 -10.734 -11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.370 -10.992 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.522 -12.713 -12.432 1.00 0.00 H new ATOM 514 N LYS A 40 -12.885 -11.729 -10.781 1.00 0.00 N ATOM 515 CA LYS A 40 -11.659 -12.518 -10.726 1.00 0.00 C ATOM 516 C LYS A 40 -11.117 -12.583 -9.302 1.00 0.00 C ATOM 517 O LYS A 40 -10.876 -13.666 -8.768 1.00 0.00 O ATOM 518 CB LYS A 40 -10.603 -11.922 -11.659 1.00 0.00 C ATOM 519 CG LYS A 40 -10.653 -12.480 -13.070 1.00 0.00 C ATOM 520 CD LYS A 40 -11.575 -11.663 -13.960 1.00 0.00 C ATOM 521 CE LYS A 40 -11.269 -11.886 -15.434 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.860 -13.156 -15.937 1.00 0.00 N ATOM 0 H LYS A 40 -12.874 -10.981 -11.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.893 -13.531 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.735 -10.841 -11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.614 -12.106 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.649 -12.488 -13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.996 -13.514 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.611 -11.933 -13.758 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.469 -10.605 -13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.656 -11.050 -16.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.189 -11.904 -15.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.629 -13.271 -16.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.471 -13.957 -15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.893 -13.129 -15.819 1.00 0.00 H new ATOM 536 N LEU A 41 -10.929 -11.418 -8.692 1.00 0.00 N ATOM 537 CA LEU A 41 -10.417 -11.343 -7.328 1.00 0.00 C ATOM 538 C LEU A 41 -11.554 -11.420 -6.314 1.00 0.00 C ATOM 539 O LEU A 41 -12.722 -11.536 -6.684 1.00 0.00 O ATOM 540 CB LEU A 41 -9.628 -10.048 -7.129 1.00 0.00 C ATOM 541 CG LEU A 41 -10.235 -8.790 -7.752 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.642 -8.559 -7.224 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.354 -7.580 -7.476 1.00 0.00 C ATOM 0 H LEU A 41 -11.123 -10.513 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.754 -12.193 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.510 -9.879 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.629 -10.188 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.293 -8.933 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.058 -7.660 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.269 -9.415 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.609 -8.437 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.801 -6.694 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.264 -7.434 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.365 -7.745 -7.904 1.00 0.00 H new ATOM 555 N ASN A 42 -11.204 -11.351 -5.034 1.00 0.00 N ATOM 556 CA ASN A 42 -12.196 -11.411 -3.966 1.00 0.00 C ATOM 557 C ASN A 42 -12.013 -10.255 -2.988 1.00 0.00 C ATOM 558 O ASN A 42 -11.161 -9.390 -3.187 1.00 0.00 O ATOM 559 CB ASN A 42 -12.095 -12.744 -3.222 1.00 0.00 C ATOM 560 CG ASN A 42 -12.324 -13.934 -4.134 1.00 0.00 C ATOM 561 OD1 ASN A 42 -13.128 -13.872 -5.064 1.00 0.00 O ATOM 562 ND2 ASN A 42 -11.616 -15.026 -3.870 1.00 0.00 N ATOM 0 H ASN A 42 -10.241 -11.254 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.185 -11.329 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.110 -12.826 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.827 -12.763 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.727 -15.858 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.961 -15.032 -3.088 1.00 0.00 H new ATOM 569 N GLU A 43 -12.818 -10.248 -1.930 1.00 0.00 N ATOM 570 CA GLU A 43 -12.745 -9.198 -0.921 1.00 0.00 C ATOM 571 C GLU A 43 -11.293 -8.863 -0.589 1.00 0.00 C ATOM 572 O GLU A 43 -10.900 -7.697 -0.578 1.00 0.00 O ATOM 573 CB GLU A 43 -13.484 -9.627 0.348 1.00 0.00 C ATOM 574 CG GLU A 43 -13.070 -10.996 0.860 1.00 0.00 C ATOM 575 CD GLU A 43 -14.172 -11.684 1.642 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.347 -11.575 1.232 1.00 0.00 O ATOM 577 OE2 GLU A 43 -13.861 -12.331 2.664 1.00 0.00 O ATOM 0 H GLU A 43 -13.528 -10.958 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.222 -8.306 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.307 -8.888 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.556 -9.631 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.782 -11.623 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.190 -10.892 1.495 1.00 0.00 H new ATOM 584 N LYS A 44 -10.501 -9.895 -0.319 1.00 0.00 N ATOM 585 CA LYS A 44 -9.093 -9.714 0.013 1.00 0.00 C ATOM 586 C LYS A 44 -8.478 -8.593 -0.820 1.00 0.00 C ATOM 587 O LYS A 44 -8.123 -7.540 -0.293 1.00 0.00 O ATOM 588 CB LYS A 44 -8.322 -11.016 -0.216 1.00 0.00 C ATOM 589 CG LYS A 44 -8.450 -12.007 0.928 1.00 0.00 C ATOM 590 CD LYS A 44 -7.222 -12.896 1.035 1.00 0.00 C ATOM 591 CE LYS A 44 -7.493 -14.118 1.899 1.00 0.00 C ATOM 592 NZ LYS A 44 -8.521 -15.009 1.295 1.00 0.00 N ATOM 0 H LYS A 44 -10.811 -10.867 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.026 -9.440 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.680 -11.484 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.268 -10.783 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.592 -11.467 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.336 -12.625 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.914 -13.214 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.395 -12.326 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.567 -14.676 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.825 -13.798 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.419 -15.969 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.470 -14.645 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.394 -15.036 0.263 1.00 0.00 H new ATOM 606 N GLU A 45 -8.357 -8.829 -2.123 1.00 0.00 N ATOM 607 CA GLU A 45 -7.786 -7.838 -3.028 1.00 0.00 C ATOM 608 C GLU A 45 -8.672 -6.598 -3.107 1.00 0.00 C ATOM 609 O GLU A 45 -8.202 -5.473 -2.938 1.00 0.00 O ATOM 610 CB GLU A 45 -7.601 -8.436 -4.424 1.00 0.00 C ATOM 611 CG GLU A 45 -6.848 -9.756 -4.426 1.00 0.00 C ATOM 612 CD GLU A 45 -7.268 -10.665 -5.564 1.00 0.00 C ATOM 613 OE1 GLU A 45 -6.673 -10.563 -6.657 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.193 -11.480 -5.362 1.00 0.00 O ATOM 0 H GLU A 45 -8.646 -9.696 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.813 -7.543 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.580 -8.585 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.065 -7.721 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.778 -9.560 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.015 -10.267 -3.478 1.00 0.00 H new ATOM 621 N LYS A 46 -9.957 -6.812 -3.365 1.00 0.00 N ATOM 622 CA LYS A 46 -10.912 -5.715 -3.466 1.00 0.00 C ATOM 623 C LYS A 46 -10.613 -4.637 -2.428 1.00 0.00 C ATOM 624 O LYS A 46 -10.781 -3.447 -2.691 1.00 0.00 O ATOM 625 CB LYS A 46 -12.339 -6.234 -3.282 1.00 0.00 C ATOM 626 CG LYS A 46 -12.815 -7.121 -4.419 1.00 0.00 C ATOM 627 CD LYS A 46 -14.165 -7.747 -4.110 1.00 0.00 C ATOM 628 CE LYS A 46 -15.304 -6.772 -4.369 1.00 0.00 C ATOM 629 NZ LYS A 46 -15.630 -5.966 -3.160 1.00 0.00 N ATOM 0 H LYS A 46 -10.362 -7.737 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.818 -5.275 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.396 -6.793 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.016 -5.385 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.886 -6.534 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.082 -7.907 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.302 -8.639 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.189 -8.068 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.032 -6.105 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.189 -7.323 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.040 -5.055 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.315 -6.483 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.763 -5.796 -2.612 1.00 0.00 H new ATOM 643 N GLU A 47 -10.169 -5.063 -1.250 1.00 0.00 N ATOM 644 CA GLU A 47 -9.847 -4.133 -0.174 1.00 0.00 C ATOM 645 C GLU A 47 -8.733 -3.179 -0.595 1.00 0.00 C ATOM 646 O GLU A 47 -8.812 -1.972 -0.362 1.00 0.00 O ATOM 647 CB GLU A 47 -9.430 -4.898 1.084 1.00 0.00 C ATOM 648 CG GLU A 47 -8.579 -4.080 2.040 1.00 0.00 C ATOM 649 CD GLU A 47 -8.746 -4.511 3.484 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.875 -4.884 3.864 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.748 -4.475 4.234 1.00 0.00 O ATOM 0 H GLU A 47 -10.024 -6.045 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.740 -3.548 0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.325 -5.237 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.876 -5.790 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.531 -4.171 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.844 -3.027 1.946 1.00 0.00 H new ATOM 658 N LEU A 48 -7.695 -3.728 -1.216 1.00 0.00 N ATOM 659 CA LEU A 48 -6.563 -2.927 -1.670 1.00 0.00 C ATOM 660 C LEU A 48 -7.003 -1.907 -2.715 1.00 0.00 C ATOM 661 O LEU A 48 -6.479 -0.793 -2.769 1.00 0.00 O ATOM 662 CB LEU A 48 -5.473 -3.830 -2.249 1.00 0.00 C ATOM 663 CG LEU A 48 -4.611 -4.578 -1.232 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.761 -5.632 -1.925 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.732 -3.604 -0.460 1.00 0.00 C ATOM 0 H LEU A 48 -7.614 -4.725 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.162 -2.390 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.946 -4.563 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.818 -3.221 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.271 -5.081 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.154 -6.154 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.409 -6.347 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.109 -5.152 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.125 -4.153 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.080 -3.073 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.360 -2.887 0.068 1.00 0.00 H new ATOM 677 N CYS A 49 -7.968 -2.293 -3.542 1.00 0.00 N ATOM 678 CA CYS A 49 -8.480 -1.411 -4.585 1.00 0.00 C ATOM 679 C CYS A 49 -9.014 -0.114 -3.987 1.00 0.00 C ATOM 680 O CYS A 49 -8.892 0.954 -4.587 1.00 0.00 O ATOM 681 CB CYS A 49 -9.583 -2.112 -5.379 1.00 0.00 C ATOM 682 SG CYS A 49 -9.016 -3.551 -6.317 1.00 0.00 S ATOM 0 H CYS A 49 -8.412 -3.211 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.657 -1.168 -5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.368 -2.426 -4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.031 -1.396 -6.068 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.393 -3.154 -7.387 1.00 0.00 H new ATOM 688 N GLN A 50 -9.607 -0.215 -2.802 1.00 0.00 N ATOM 689 CA GLN A 50 -10.162 0.951 -2.124 1.00 0.00 C ATOM 690 C GLN A 50 -9.080 1.700 -1.354 1.00 0.00 C ATOM 691 O GLN A 50 -8.780 2.856 -1.650 1.00 0.00 O ATOM 692 CB GLN A 50 -11.282 0.528 -1.172 1.00 0.00 C ATOM 693 CG GLN A 50 -12.371 -0.296 -1.840 1.00 0.00 C ATOM 694 CD GLN A 50 -13.466 -0.708 -0.877 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.249 0.124 -0.416 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.528 -1.997 -0.566 1.00 0.00 N ATOM 0 H GLN A 50 -9.716 -1.091 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.571 1.619 -2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.853 -0.049 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.730 1.419 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.808 0.280 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.927 -1.188 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.859 -2.652 -0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.244 -2.332 0.078 1.00 0.00 H new ATOM 705 N VAL A 51 -8.496 1.032 -0.364 1.00 0.00 N ATOM 706 CA VAL A 51 -7.445 1.634 0.449 1.00 0.00 C ATOM 707 C VAL A 51 -6.306 2.152 -0.421 1.00 0.00 C ATOM 708 O VAL A 51 -5.632 3.120 -0.070 1.00 0.00 O ATOM 709 CB VAL A 51 -6.881 0.629 1.470 1.00 0.00 C ATOM 710 CG1 VAL A 51 -5.854 1.301 2.369 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.005 0.019 2.295 1.00 0.00 C ATOM 0 H VAL A 51 -8.733 0.074 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.897 2.469 0.984 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.383 -0.174 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.466 0.575 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.035 1.685 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.324 2.125 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.588 -0.689 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.533 0.808 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.700 -0.500 1.635 1.00 0.00 H new ATOM 721 N VAL A 52 -6.095 1.500 -1.561 1.00 0.00 N ATOM 722 CA VAL A 52 -5.038 1.895 -2.483 1.00 0.00 C ATOM 723 C VAL A 52 -5.614 2.569 -3.723 1.00 0.00 C ATOM 724 O VAL A 52 -4.876 2.973 -4.622 1.00 0.00 O ATOM 725 CB VAL A 52 -4.190 0.684 -2.918 1.00 0.00 C ATOM 726 CG1 VAL A 52 -2.845 1.141 -3.460 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.006 -0.281 -1.756 1.00 0.00 C ATOM 0 H VAL A 52 -6.643 0.696 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.402 2.602 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.717 0.161 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.260 0.272 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.001 1.790 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.308 1.689 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.405 -1.131 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.501 0.229 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.980 -0.634 -1.418 1.00 0.00 H new ATOM 737 N ARG A 53 -6.937 2.687 -3.765 1.00 0.00 N ATOM 738 CA ARG A 53 -7.613 3.312 -4.895 1.00 0.00 C ATOM 739 C ARG A 53 -7.143 2.704 -6.213 1.00 0.00 C ATOM 740 O ARG A 53 -6.903 3.418 -7.188 1.00 0.00 O ATOM 741 CB ARG A 53 -7.360 4.821 -4.898 1.00 0.00 C ATOM 742 CG ARG A 53 -7.687 5.495 -3.576 1.00 0.00 C ATOM 743 CD ARG A 53 -6.481 5.521 -2.650 1.00 0.00 C ATOM 744 NE ARG A 53 -6.664 6.449 -1.538 1.00 0.00 N ATOM 745 CZ ARG A 53 -5.661 6.943 -0.820 1.00 0.00 C ATOM 746 NH1 ARG A 53 -4.411 6.599 -1.097 1.00 0.00 N ATOM 747 NH2 ARG A 53 -5.908 7.783 0.177 1.00 0.00 N ATOM 0 H ARG A 53 -7.562 2.358 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.683 3.131 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.314 5.005 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.956 5.279 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.027 6.514 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.508 4.967 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.302 4.519 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.595 5.805 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.614 6.734 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.217 5.954 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.643 6.980 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.868 8.050 0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.137 8.162 0.728 1.00 0.00 H new ATOM 761 N LEU A 54 -7.014 1.382 -6.237 1.00 0.00 N ATOM 762 CA LEU A 54 -6.572 0.678 -7.435 1.00 0.00 C ATOM 763 C LEU A 54 -7.703 -0.159 -8.023 1.00 0.00 C ATOM 764 O LEU A 54 -8.211 -1.077 -7.378 1.00 0.00 O ATOM 765 CB LEU A 54 -5.375 -0.218 -7.112 1.00 0.00 C ATOM 766 CG LEU A 54 -4.621 -0.791 -8.312 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.547 -1.641 -9.168 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.006 0.329 -9.140 1.00 0.00 C ATOM 0 H LEU A 54 -7.209 0.776 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.273 1.422 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.672 0.354 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.724 -1.048 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.817 -1.426 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.993 -2.040 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.940 -2.464 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.373 -1.028 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.473 -0.097 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.794 0.990 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.310 0.897 -8.523 1.00 0.00 H new ATOM 780 N VAL A 55 -8.093 0.162 -9.253 1.00 0.00 N ATOM 781 CA VAL A 55 -9.162 -0.562 -9.930 1.00 0.00 C ATOM 782 C VAL A 55 -8.880 -2.060 -9.957 1.00 0.00 C ATOM 783 O VAL A 55 -7.759 -2.502 -10.213 1.00 0.00 O ATOM 784 CB VAL A 55 -9.353 -0.061 -11.373 1.00 0.00 C ATOM 785 CG1 VAL A 55 -8.370 -0.746 -12.311 1.00 0.00 C ATOM 786 CG2 VAL A 55 -10.786 -0.289 -11.831 1.00 0.00 C ATOM 0 H VAL A 55 -7.684 0.919 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.076 -0.377 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.154 1.010 -11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.520 -0.379 -13.326 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.351 -0.527 -11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.534 -1.823 -12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.903 0.071 -12.853 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.015 -1.354 -11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.468 0.252 -11.175 1.00 0.00 H new ATOM 796 N PRO A 56 -9.920 -2.863 -9.686 1.00 0.00 N ATOM 797 CA PRO A 56 -9.809 -4.325 -9.674 1.00 0.00 C ATOM 798 C PRO A 56 -9.601 -4.902 -11.070 1.00 0.00 C ATOM 799 O PRO A 56 -9.426 -6.109 -11.234 1.00 0.00 O ATOM 800 CB PRO A 56 -11.155 -4.778 -9.104 1.00 0.00 C ATOM 801 CG PRO A 56 -12.097 -3.670 -9.429 1.00 0.00 C ATOM 802 CD PRO A 56 -11.284 -2.406 -9.372 1.00 0.00 C ATOM 0 HA PRO A 56 -8.950 -4.664 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.479 -5.717 -9.553 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.094 -4.943 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.536 -3.808 -10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.921 -3.637 -8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.637 -1.669 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.335 -1.939 -8.388 1.00 0.00 H new ATOM 810 N GLY A 57 -9.620 -4.031 -12.075 1.00 0.00 N ATOM 811 CA GLY A 57 -9.431 -4.473 -13.444 1.00 0.00 C ATOM 812 C GLY A 57 -7.980 -4.415 -13.877 1.00 0.00 C ATOM 813 O GLY A 57 -7.576 -5.105 -14.813 1.00 0.00 O ATOM 0 H GLY A 57 -9.763 -3.027 -11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.797 -5.495 -13.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.031 -3.852 -14.109 1.00 0.00 H new ATOM 817 N ALA A 58 -7.193 -3.588 -13.197 1.00 0.00 N ATOM 818 CA ALA A 58 -5.779 -3.442 -13.517 1.00 0.00 C ATOM 819 C ALA A 58 -4.915 -4.285 -12.584 1.00 0.00 C ATOM 820 O ALA A 58 -4.009 -4.989 -13.030 1.00 0.00 O ATOM 821 CB ALA A 58 -5.368 -1.979 -13.440 1.00 0.00 C ATOM 0 H ALA A 58 -7.511 -3.009 -12.420 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.624 -3.799 -14.535 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.309 -1.885 -13.681 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.955 -1.398 -14.151 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.545 -1.604 -12.432 1.00 0.00 H new ATOM 827 N TYR A 59 -5.202 -4.208 -11.290 1.00 0.00 N ATOM 828 CA TYR A 59 -4.449 -4.962 -10.294 1.00 0.00 C ATOM 829 C TYR A 59 -4.220 -6.398 -10.757 1.00 0.00 C ATOM 830 O TYR A 59 -3.246 -7.042 -10.364 1.00 0.00 O ATOM 831 CB TYR A 59 -5.188 -4.958 -8.955 1.00 0.00 C ATOM 832 CG TYR A 59 -4.632 -5.946 -7.954 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.108 -7.250 -7.896 1.00 0.00 C ATOM 834 CD2 TYR A 59 -3.629 -5.575 -7.066 1.00 0.00 C ATOM 835 CE1 TYR A 59 -4.604 -8.155 -6.982 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.117 -6.474 -6.150 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.608 -7.762 -6.112 1.00 0.00 C ATOM 838 OH TYR A 59 -3.102 -8.661 -5.201 1.00 0.00 O ATOM 0 H TYR A 59 -5.950 -3.631 -10.906 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.479 -4.481 -10.168 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.143 -3.956 -8.528 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.240 -5.183 -9.129 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.886 -7.562 -8.577 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.243 -4.567 -7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.987 -9.164 -6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.337 -6.170 -5.468 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.407 -8.226 -4.664 1.00 0.00 H new ATOM 848 N LEU A 60 -5.123 -6.893 -11.596 1.00 0.00 N ATOM 849 CA LEU A 60 -5.021 -8.253 -12.115 1.00 0.00 C ATOM 850 C LEU A 60 -3.929 -8.351 -13.175 1.00 0.00 C ATOM 851 O LEU A 60 -3.219 -9.352 -13.257 1.00 0.00 O ATOM 852 CB LEU A 60 -6.361 -8.697 -12.704 1.00 0.00 C ATOM 853 CG LEU A 60 -7.527 -8.794 -11.720 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.830 -9.054 -12.461 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.269 -9.887 -10.693 1.00 0.00 C ATOM 0 H LEU A 60 -5.934 -6.373 -11.932 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.758 -8.912 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.636 -8.000 -13.495 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.224 -9.672 -13.172 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.614 -7.843 -11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.649 -9.120 -11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.022 -8.238 -13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.754 -9.991 -13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.109 -9.942 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.155 -10.844 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.358 -9.659 -10.140 1.00 0.00 H new ATOM 867 N GLU A 61 -3.800 -7.303 -13.983 1.00 0.00 N ATOM 868 CA GLU A 61 -2.793 -7.271 -15.037 1.00 0.00 C ATOM 869 C GLU A 61 -1.387 -7.231 -14.445 1.00 0.00 C ATOM 870 O GLU A 61 -0.471 -7.881 -14.949 1.00 0.00 O ATOM 871 CB GLU A 61 -3.010 -6.058 -15.944 1.00 0.00 C ATOM 872 CG GLU A 61 -3.926 -6.337 -17.124 1.00 0.00 C ATOM 873 CD GLU A 61 -3.602 -7.645 -17.817 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.701 -7.653 -18.681 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.251 -8.663 -17.495 1.00 0.00 O ATOM 0 H GLU A 61 -4.380 -6.466 -13.928 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.894 -8.181 -15.628 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.430 -5.244 -15.353 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.044 -5.716 -16.317 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.960 -6.359 -16.779 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.847 -5.520 -17.842 1.00 0.00 H new ATOM 882 N TYR A 62 -1.224 -6.464 -13.373 1.00 0.00 N ATOM 883 CA TYR A 62 0.070 -6.337 -12.713 1.00 0.00 C ATOM 884 C TYR A 62 0.442 -7.628 -11.990 1.00 0.00 C ATOM 885 O TYR A 62 1.600 -8.048 -12.000 1.00 0.00 O ATOM 886 CB TYR A 62 0.049 -5.172 -11.722 1.00 0.00 C ATOM 887 CG TYR A 62 -0.636 -3.935 -12.257 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.462 -3.535 -13.576 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.459 -3.165 -11.443 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.085 -2.405 -14.069 1.00 0.00 C ATOM 891 CE2 TYR A 62 -2.087 -2.034 -11.927 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.896 -1.658 -13.240 1.00 0.00 C ATOM 893 OH TYR A 62 -2.520 -0.532 -13.727 1.00 0.00 O ATOM 0 H TYR A 62 -1.972 -5.921 -12.942 1.00 0.00 H new ATOM 0 HA TYR A 62 0.821 -6.141 -13.478 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.455 -5.491 -10.810 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.074 -4.920 -11.448 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.172 -4.118 -14.228 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.610 -3.456 -10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.938 -2.108 -15.097 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.724 -1.448 -11.281 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.055 -0.121 -13.016 1.00 0.00 H new ATOM 903 N LYS A 63 -0.548 -8.253 -11.363 1.00 0.00 N ATOM 904 CA LYS A 63 -0.328 -9.498 -10.636 1.00 0.00 C ATOM 905 C LYS A 63 0.650 -10.399 -11.382 1.00 0.00 C ATOM 906 O LYS A 63 1.724 -10.722 -10.875 1.00 0.00 O ATOM 907 CB LYS A 63 -1.655 -10.231 -10.425 1.00 0.00 C ATOM 908 CG LYS A 63 -2.475 -9.683 -9.270 1.00 0.00 C ATOM 909 CD LYS A 63 -2.188 -10.430 -7.978 1.00 0.00 C ATOM 910 CE LYS A 63 -0.738 -10.267 -7.551 1.00 0.00 C ATOM 911 NZ LYS A 63 -0.376 -8.836 -7.351 1.00 0.00 N ATOM 0 H LYS A 63 -1.511 -7.918 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 63 0.102 -9.251 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.244 -10.169 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.453 -11.287 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.254 -8.624 -9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.536 -9.759 -9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.844 -10.061 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.413 -11.488 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.568 -10.817 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.086 -10.704 -8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.659 -8.735 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.789 -8.263 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.745 -8.509 -6.435 1.00 0.00 H new ATOM 925 N SER A 64 0.271 -10.802 -12.591 1.00 0.00 N ATOM 926 CA SER A 64 1.114 -11.668 -13.407 1.00 0.00 C ATOM 927 C SER A 64 2.555 -11.168 -13.421 1.00 0.00 C ATOM 928 O SER A 64 3.491 -11.932 -13.190 1.00 0.00 O ATOM 929 CB SER A 64 0.574 -11.741 -14.837 1.00 0.00 C ATOM 930 OG SER A 64 -0.690 -12.380 -14.873 1.00 0.00 O ATOM 0 H SER A 64 -0.614 -10.543 -13.027 1.00 0.00 H new ATOM 0 HA SER A 64 1.098 -12.666 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.488 -10.735 -15.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.278 -12.284 -15.467 1.00 0.00 H new ATOM 0 HG SER A 64 -1.014 -12.412 -15.797 1.00 0.00 H new ATOM 936 N ALA A 65 2.725 -9.878 -13.693 1.00 0.00 N ATOM 937 CA ALA A 65 4.050 -9.274 -13.735 1.00 0.00 C ATOM 938 C ALA A 65 4.745 -9.380 -12.382 1.00 0.00 C ATOM 939 O ALA A 65 5.732 -10.103 -12.234 1.00 0.00 O ATOM 940 CB ALA A 65 3.954 -7.819 -14.168 1.00 0.00 C ATOM 0 H ALA A 65 1.961 -9.231 -13.888 1.00 0.00 H new ATOM 0 HA ALA A 65 4.647 -9.820 -14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.952 -7.381 -14.195 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.507 -7.763 -15.160 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.335 -7.269 -13.460 1.00 0.00 H new ATOM 946 N LEU A 66 4.225 -8.656 -11.397 1.00 0.00 N ATOM 947 CA LEU A 66 4.797 -8.668 -10.055 1.00 0.00 C ATOM 948 C LEU A 66 5.229 -10.077 -9.660 1.00 0.00 C ATOM 949 O LEU A 66 6.149 -10.254 -8.860 1.00 0.00 O ATOM 950 CB LEU A 66 3.783 -8.131 -9.043 1.00 0.00 C ATOM 951 CG LEU A 66 3.420 -6.652 -9.177 1.00 0.00 C ATOM 952 CD1 LEU A 66 2.681 -6.169 -7.939 1.00 0.00 C ATOM 953 CD2 LEU A 66 4.669 -5.816 -9.416 1.00 0.00 C ATOM 0 H LEU A 66 3.409 -8.054 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 66 5.677 -8.025 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.869 -8.718 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.177 -8.298 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 66 2.760 -6.536 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.431 -5.114 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.766 -6.747 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.316 -6.299 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.392 -4.766 -9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.354 -5.937 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.157 -6.145 -10.333 1.00 0.00 H new ATOM 965 N LEU A 67 4.561 -11.076 -10.227 1.00 0.00 N ATOM 966 CA LEU A 67 4.878 -12.470 -9.936 1.00 0.00 C ATOM 967 C LEU A 67 5.880 -13.023 -10.944 1.00 0.00 C ATOM 968 O LEU A 67 6.718 -13.857 -10.607 1.00 0.00 O ATOM 969 CB LEU A 67 3.603 -13.316 -9.949 1.00 0.00 C ATOM 970 CG LEU A 67 2.675 -13.150 -8.746 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.280 -13.659 -9.074 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.238 -13.877 -7.533 1.00 0.00 C ATOM 0 H LEU A 67 3.797 -10.947 -10.890 1.00 0.00 H new ATOM 0 HA LEU A 67 5.327 -12.516 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.041 -13.076 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.888 -14.366 -10.020 1.00 0.00 H new ATOM 0 HG LEU A 67 2.606 -12.088 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.633 -13.533 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.875 -13.094 -9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.331 -14.715 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.564 -13.748 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.337 -14.939 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.216 -13.466 -7.284 1.00 0.00 H new ATOM 984 N ASN A 68 5.787 -12.550 -12.183 1.00 0.00 N ATOM 985 CA ASN A 68 6.686 -12.995 -13.241 1.00 0.00 C ATOM 986 C ASN A 68 8.143 -12.777 -12.844 1.00 0.00 C ATOM 987 O ASN A 68 8.939 -13.715 -12.825 1.00 0.00 O ATOM 988 CB ASN A 68 6.384 -12.252 -14.543 1.00 0.00 C ATOM 989 CG ASN A 68 5.410 -13.008 -15.427 1.00 0.00 C ATOM 990 OD1 ASN A 68 5.396 -14.238 -15.444 1.00 0.00 O ATOM 991 ND2 ASN A 68 4.591 -12.271 -16.168 1.00 0.00 N ATOM 0 H ASN A 68 5.098 -11.859 -12.479 1.00 0.00 H new ATOM 0 HA ASN A 68 6.525 -14.062 -13.395 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.973 -11.270 -14.311 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.313 -12.088 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.915 -12.723 -16.784 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.638 -11.253 -16.122 1.00 0.00 H new ATOM 998 N GLU A 69 8.484 -11.531 -12.527 1.00 0.00 N ATOM 999 CA GLU A 69 9.845 -11.190 -12.131 1.00 0.00 C ATOM 1000 C GLU A 69 10.298 -12.043 -10.950 1.00 0.00 C ATOM 1001 O GLU A 69 11.187 -12.885 -11.083 1.00 0.00 O ATOM 1002 CB GLU A 69 9.937 -9.706 -11.767 1.00 0.00 C ATOM 1003 CG GLU A 69 11.304 -9.098 -12.035 1.00 0.00 C ATOM 1004 CD GLU A 69 11.791 -9.357 -13.447 1.00 0.00 C ATOM 1005 OE1 GLU A 69 10.940 -9.507 -14.350 1.00 0.00 O ATOM 1006 OE2 GLU A 69 13.022 -9.410 -13.651 1.00 0.00 O ATOM 0 H GLU A 69 7.837 -10.743 -12.537 1.00 0.00 H new ATOM 0 HA GLU A 69 10.503 -11.391 -12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.186 -9.154 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.695 -9.584 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.260 -8.023 -11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.024 -9.506 -11.326 1.00 0.00 H new ATOM 1013 N CYS A 70 9.682 -11.819 -9.795 1.00 0.00 N ATOM 1014 CA CYS A 70 10.022 -12.566 -8.589 1.00 0.00 C ATOM 1015 C CYS A 70 10.091 -14.062 -8.877 1.00 0.00 C ATOM 1016 O CYS A 70 10.898 -14.782 -8.289 1.00 0.00 O ATOM 1017 CB CYS A 70 8.995 -12.293 -7.488 1.00 0.00 C ATOM 1018 SG CYS A 70 9.217 -13.303 -6.005 1.00 0.00 S ATOM 0 H CYS A 70 8.944 -11.126 -9.668 1.00 0.00 H new ATOM 0 HA CYS A 70 11.004 -12.234 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.048 -11.241 -7.209 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.996 -12.467 -7.887 1.00 0.00 H new ATOM 0 HG CYS A 70 9.942 -14.343 -6.293 1.00 0.00 H new ATOM 1024 N HIS A 71 9.237 -14.524 -9.785 1.00 0.00 N ATOM 1025 CA HIS A 71 9.200 -15.936 -10.151 1.00 0.00 C ATOM 1026 C HIS A 71 10.508 -16.360 -10.811 1.00 0.00 C ATOM 1027 O HIS A 71 10.960 -17.494 -10.646 1.00 0.00 O ATOM 1028 CB HIS A 71 8.027 -16.210 -11.093 1.00 0.00 C ATOM 1029 CG HIS A 71 6.739 -16.485 -10.381 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.708 -17.207 -10.943 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.317 -16.131 -9.144 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.707 -17.285 -10.084 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.052 -16.640 -8.984 1.00 0.00 N ATOM 0 H HIS A 71 8.562 -13.942 -10.281 1.00 0.00 H new ATOM 0 HA HIS A 71 9.068 -16.519 -9.240 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.893 -15.352 -11.752 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.272 -17.063 -11.726 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.716 -17.617 -11.877 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.872 -15.555 -8.418 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.767 -17.790 -10.252 1.00 0.00 H new ATOM 1042 N LYS A 72 11.113 -15.444 -11.559 1.00 0.00 N ATOM 1043 CA LYS A 72 12.369 -15.721 -12.244 1.00 0.00 C ATOM 1044 C LYS A 72 13.549 -15.613 -11.283 1.00 0.00 C ATOM 1045 O LYS A 72 14.229 -16.601 -11.008 1.00 0.00 O ATOM 1046 CB LYS A 72 12.561 -14.754 -13.415 1.00 0.00 C ATOM 1047 CG LYS A 72 11.395 -14.739 -14.389 1.00 0.00 C ATOM 1048 CD LYS A 72 11.254 -13.388 -15.069 1.00 0.00 C ATOM 1049 CE LYS A 72 12.334 -13.179 -16.120 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.188 -14.125 -17.261 1.00 0.00 N ATOM 0 H LYS A 72 10.752 -14.501 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 72 12.327 -16.741 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.710 -13.748 -13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.470 -15.024 -13.953 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.539 -15.513 -15.142 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.473 -14.978 -13.858 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.272 -13.315 -15.535 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.312 -12.596 -14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.288 -12.155 -16.489 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.315 -13.309 -15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.712 -13.762 -18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.568 -15.055 -16.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.182 -14.220 -17.507 1.00 0.00 H new ATOM 1064 N GLN A 73 13.783 -14.407 -10.775 1.00 0.00 N ATOM 1065 CA GLN A 73 14.880 -14.171 -9.844 1.00 0.00 C ATOM 1066 C GLN A 73 14.591 -14.811 -8.489 1.00 0.00 C ATOM 1067 O GLN A 73 15.369 -15.628 -7.999 1.00 0.00 O ATOM 1068 CB GLN A 73 15.117 -12.670 -9.672 1.00 0.00 C ATOM 1069 CG GLN A 73 13.882 -11.906 -9.223 1.00 0.00 C ATOM 1070 CD GLN A 73 13.904 -10.454 -9.658 1.00 0.00 C ATOM 1071 OE1 GLN A 73 13.726 -9.548 -8.844 1.00 0.00 O ATOM 1072 NE2 GLN A 73 14.123 -10.226 -10.948 1.00 0.00 N ATOM 0 H GLN A 73 13.228 -13.579 -10.992 1.00 0.00 H new ATOM 0 HA GLN A 73 15.779 -14.628 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.913 -12.518 -8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.467 -12.255 -10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.993 -12.389 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.804 -11.955 -8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.265 -11.008 -11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.149 -9.269 -11.300 1.00 0.00 H new ATOM 1081 N GLY A 74 13.467 -14.432 -7.889 1.00 0.00 N ATOM 1082 CA GLY A 74 13.096 -14.977 -6.596 1.00 0.00 C ATOM 1083 C GLY A 74 12.817 -13.897 -5.570 1.00 0.00 C ATOM 1084 O GLY A 74 11.988 -14.077 -4.678 1.00 0.00 O ATOM 0 H GLY A 74 12.807 -13.757 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.211 -15.603 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.897 -15.620 -6.233 1.00 0.00 H new ATOM 1088 N GLY A 75 13.513 -12.771 -5.694 1.00 0.00 N ATOM 1089 CA GLY A 75 13.323 -11.675 -4.761 1.00 0.00 C ATOM 1090 C GLY A 75 13.085 -10.352 -5.462 1.00 0.00 C ATOM 1091 O GLY A 75 13.945 -9.869 -6.200 1.00 0.00 O ATOM 0 H GLY A 75 14.205 -12.598 -6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.475 -11.897 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.201 -11.591 -4.121 1.00 0.00 H new ATOM 1095 N LEU A 76 11.916 -9.765 -5.232 1.00 0.00 N ATOM 1096 CA LEU A 76 11.567 -8.490 -5.849 1.00 0.00 C ATOM 1097 C LEU A 76 11.393 -7.404 -4.792 1.00 0.00 C ATOM 1098 O LEU A 76 10.789 -7.634 -3.744 1.00 0.00 O ATOM 1099 CB LEU A 76 10.282 -8.631 -6.666 1.00 0.00 C ATOM 1100 CG LEU A 76 10.141 -7.691 -7.864 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.079 -8.111 -8.985 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.701 -7.662 -8.354 1.00 0.00 C ATOM 0 H LEU A 76 11.194 -10.151 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 76 12.382 -8.200 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.215 -9.658 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.433 -8.470 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 76 10.415 -6.685 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.965 -7.431 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.109 -8.078 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.837 -9.126 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.620 -6.988 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.399 -8.665 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.051 -7.312 -7.552 1.00 0.00 H new ATOM 1114 N ARG A 77 11.926 -6.219 -5.075 1.00 0.00 N ATOM 1115 CA ARG A 77 11.829 -5.097 -4.149 1.00 0.00 C ATOM 1116 C ARG A 77 10.926 -4.003 -4.713 1.00 0.00 C ATOM 1117 O ARG A 77 10.642 -3.975 -5.911 1.00 0.00 O ATOM 1118 CB ARG A 77 13.218 -4.527 -3.859 1.00 0.00 C ATOM 1119 CG ARG A 77 14.016 -4.199 -5.110 1.00 0.00 C ATOM 1120 CD ARG A 77 15.146 -3.226 -4.812 1.00 0.00 C ATOM 1121 NE ARG A 77 16.347 -3.910 -4.339 1.00 0.00 N ATOM 1122 CZ ARG A 77 16.551 -4.243 -3.069 1.00 0.00 C ATOM 1123 NH1 ARG A 77 15.639 -3.957 -2.150 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.669 -4.864 -2.716 1.00 0.00 N ATOM 0 H ARG A 77 12.429 -6.012 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 77 11.392 -5.462 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.112 -3.623 -3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.778 -5.245 -3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.426 -5.116 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.354 -3.770 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.383 -2.659 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.818 -2.508 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 77 17.068 -4.145 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.778 -3.480 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.799 -4.214 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.373 -5.086 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.825 -5.119 -1.741 1.00 0.00 H new ATOM 1138 N LEU A 78 10.479 -3.106 -3.842 1.00 0.00 N ATOM 1139 CA LEU A 78 9.608 -2.009 -4.252 1.00 0.00 C ATOM 1140 C LEU A 78 10.154 -1.317 -5.497 1.00 0.00 C ATOM 1141 O LEU A 78 9.440 -1.139 -6.484 1.00 0.00 O ATOM 1142 CB LEU A 78 9.460 -0.997 -3.115 1.00 0.00 C ATOM 1143 CG LEU A 78 8.584 0.221 -3.411 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.138 -0.200 -3.622 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.686 1.238 -2.284 1.00 0.00 C ATOM 0 H LEU A 78 10.705 -3.116 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 78 8.629 -2.424 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.049 -1.513 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.454 -0.646 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 78 8.943 0.688 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.530 0.680 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.079 -0.890 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.767 -0.692 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.056 2.098 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.354 0.782 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.721 1.564 -2.180 1.00 0.00 H new ATOM 1157 N ALA A 79 11.424 -0.931 -5.444 1.00 0.00 N ATOM 1158 CA ALA A 79 12.067 -0.262 -6.568 1.00 0.00 C ATOM 1159 C ALA A 79 11.677 -0.914 -7.891 1.00 0.00 C ATOM 1160 O ALA A 79 11.478 -0.231 -8.894 1.00 0.00 O ATOM 1161 CB ALA A 79 13.579 -0.275 -6.397 1.00 0.00 C ATOM 0 H ALA A 79 12.028 -1.070 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 79 11.724 0.772 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.045 0.228 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.845 0.243 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.931 -1.306 -6.349 1.00 0.00 H new ATOM 1167 N GLN A 80 11.572 -2.239 -7.883 1.00 0.00 N ATOM 1168 CA GLN A 80 11.208 -2.982 -9.084 1.00 0.00 C ATOM 1169 C GLN A 80 9.693 -3.105 -9.209 1.00 0.00 C ATOM 1170 O GLN A 80 9.118 -2.784 -10.249 1.00 0.00 O ATOM 1171 CB GLN A 80 11.843 -4.374 -9.060 1.00 0.00 C ATOM 1172 CG GLN A 80 13.340 -4.354 -8.792 1.00 0.00 C ATOM 1173 CD GLN A 80 14.066 -5.506 -9.458 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.576 -6.404 -8.788 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.118 -5.486 -10.785 1.00 0.00 N ATOM 0 H GLN A 80 11.733 -2.819 -7.060 1.00 0.00 H new ATOM 0 HA GLN A 80 11.583 -2.433 -9.948 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.353 -4.975 -8.294 1.00 0.00 H new ATOM 0 HB3 GLN A 80 11.660 -4.865 -10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.757 -3.412 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.514 -4.393 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.682 -4.722 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.594 -6.235 -11.288 1.00 0.00 H new ATOM 1184 N ALA A 81 9.051 -3.571 -8.143 1.00 0.00 N ATOM 1185 CA ALA A 81 7.603 -3.735 -8.134 1.00 0.00 C ATOM 1186 C ALA A 81 6.910 -2.520 -8.741 1.00 0.00 C ATOM 1187 O ALA A 81 5.902 -2.651 -9.436 1.00 0.00 O ATOM 1188 CB ALA A 81 7.108 -3.973 -6.715 1.00 0.00 C ATOM 0 H ALA A 81 9.511 -3.842 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 81 7.356 -4.604 -8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.025 -4.094 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.571 -4.875 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.373 -3.121 -6.089 1.00 0.00 H new ATOM 1194 N ARG A 82 7.455 -1.338 -8.472 1.00 0.00 N ATOM 1195 CA ARG A 82 6.887 -0.099 -8.991 1.00 0.00 C ATOM 1196 C ARG A 82 7.207 0.067 -10.474 1.00 0.00 C ATOM 1197 O ARG A 82 6.458 0.703 -11.213 1.00 0.00 O ATOM 1198 CB ARG A 82 7.421 1.100 -8.205 1.00 0.00 C ATOM 1199 CG ARG A 82 8.745 1.632 -8.731 1.00 0.00 C ATOM 1200 CD ARG A 82 9.394 2.587 -7.742 1.00 0.00 C ATOM 1201 NE ARG A 82 10.772 2.902 -8.108 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.398 4.010 -7.728 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.773 4.904 -6.974 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.653 4.226 -8.103 1.00 0.00 N ATOM 0 H ARG A 82 8.289 -1.212 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 82 5.804 -0.148 -8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.681 1.900 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.543 0.814 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.419 0.799 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.582 2.144 -9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.813 3.508 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.376 2.145 -6.746 1.00 0.00 H new ATOM 0 HE ARG A 82 11.282 2.235 -8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.809 4.742 -6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.257 5.754 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.137 3.541 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.133 5.077 -7.811 1.00 0.00 H new ATOM 1218 N ALA A 83 8.327 -0.509 -10.900 1.00 0.00 N ATOM 1219 CA ALA A 83 8.746 -0.426 -12.294 1.00 0.00 C ATOM 1220 C ALA A 83 7.931 -1.373 -13.169 1.00 0.00 C ATOM 1221 O ALA A 83 7.434 -0.984 -14.227 1.00 0.00 O ATOM 1222 CB ALA A 83 10.230 -0.735 -12.418 1.00 0.00 C ATOM 0 H ALA A 83 8.960 -1.038 -10.300 1.00 0.00 H new ATOM 0 HA ALA A 83 8.568 0.592 -12.642 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.529 -0.669 -13.464 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.802 -0.016 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.424 -1.742 -12.048 1.00 0.00 H new ATOM 1228 N LEU A 84 7.798 -2.616 -12.722 1.00 0.00 N ATOM 1229 CA LEU A 84 7.044 -3.620 -13.466 1.00 0.00 C ATOM 1230 C LEU A 84 5.662 -3.094 -13.841 1.00 0.00 C ATOM 1231 O LEU A 84 5.007 -3.627 -14.737 1.00 0.00 O ATOM 1232 CB LEU A 84 6.908 -4.900 -12.639 1.00 0.00 C ATOM 1233 CG LEU A 84 8.007 -5.945 -12.835 1.00 0.00 C ATOM 1234 CD1 LEU A 84 9.145 -5.712 -11.853 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.443 -7.349 -12.677 1.00 0.00 C ATOM 0 H LEU A 84 8.202 -2.954 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 84 7.589 -3.844 -14.383 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.879 -4.626 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.949 -5.361 -12.875 1.00 0.00 H new ATOM 0 HG LEU A 84 8.400 -5.845 -13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.918 -6.465 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.567 -4.720 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.766 -5.784 -10.833 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.239 -8.079 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.022 -7.462 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.663 -7.513 -13.420 1.00 0.00 H new ATOM 1247 N ILE A 85 5.226 -2.045 -13.152 1.00 0.00 N ATOM 1248 CA ILE A 85 3.924 -1.446 -13.416 1.00 0.00 C ATOM 1249 C ILE A 85 4.070 -0.020 -13.937 1.00 0.00 C ATOM 1250 O ILE A 85 3.212 0.478 -14.665 1.00 0.00 O ATOM 1251 CB ILE A 85 3.045 -1.430 -12.151 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.845 -0.914 -10.954 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.498 -2.822 -11.870 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.124 -1.071 -9.633 1.00 0.00 C ATOM 0 H ILE A 85 5.755 -1.592 -12.407 1.00 0.00 H new ATOM 0 HA ILE A 85 3.442 -2.061 -14.176 1.00 0.00 H new ATOM 0 HB ILE A 85 2.204 -0.757 -12.318 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.795 -1.446 -10.906 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.077 0.140 -11.109 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.879 -2.795 -10.973 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.897 -3.154 -12.716 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.326 -3.515 -11.719 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.750 -0.684 -8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.186 -0.516 -9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.916 -2.126 -9.455 1.00 0.00 H new ATOM 1266 N LYS A 86 5.165 0.632 -13.561 1.00 0.00 N ATOM 1267 CA LYS A 86 5.428 2.000 -13.992 1.00 0.00 C ATOM 1268 C LYS A 86 4.346 2.948 -13.483 1.00 0.00 C ATOM 1269 O LYS A 86 3.889 3.830 -14.210 1.00 0.00 O ATOM 1270 CB LYS A 86 5.504 2.069 -15.519 1.00 0.00 C ATOM 1271 CG LYS A 86 6.562 1.158 -16.117 1.00 0.00 C ATOM 1272 CD LYS A 86 5.998 -0.215 -16.440 1.00 0.00 C ATOM 1273 CE LYS A 86 7.038 -1.103 -17.105 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.411 -2.155 -17.952 1.00 0.00 N ATOM 0 H LYS A 86 5.885 0.235 -12.958 1.00 0.00 H new ATOM 0 HA LYS A 86 6.385 2.310 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.532 1.805 -15.935 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.710 3.097 -15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.962 1.610 -17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.393 1.056 -15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.645 -0.689 -15.524 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.135 -0.109 -17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.700 -0.491 -17.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.656 -1.573 -16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.154 -2.739 -18.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.799 -2.756 -17.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.842 -1.707 -18.698 1.00 0.00 H new ATOM 1288 N ILE A 87 3.944 2.760 -12.231 1.00 0.00 N ATOM 1289 CA ILE A 87 2.918 3.601 -11.625 1.00 0.00 C ATOM 1290 C ILE A 87 3.407 4.204 -10.312 1.00 0.00 C ATOM 1291 O ILE A 87 4.328 3.683 -9.682 1.00 0.00 O ATOM 1292 CB ILE A 87 1.624 2.809 -11.363 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.847 1.775 -10.258 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.148 2.133 -12.640 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.590 1.427 -9.492 1.00 0.00 C ATOM 0 H ILE A 87 4.312 2.034 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 87 2.707 4.402 -12.334 1.00 0.00 H new ATOM 0 HB ILE A 87 0.852 3.504 -11.034 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.257 0.866 -10.699 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.594 2.156 -9.561 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.232 1.577 -12.438 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.953 2.889 -13.401 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.917 1.448 -12.997 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.824 0.689 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.190 2.325 -9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.152 1.016 -10.177 1.00 0.00 H new ATOM 1307 N ASP A 88 2.783 5.303 -9.904 1.00 0.00 N ATOM 1308 CA ASP A 88 3.151 5.976 -8.664 1.00 0.00 C ATOM 1309 C ASP A 88 3.555 4.965 -7.596 1.00 0.00 C ATOM 1310 O ASP A 88 2.713 4.244 -7.059 1.00 0.00 O ATOM 1311 CB ASP A 88 1.990 6.834 -8.159 1.00 0.00 C ATOM 1312 CG ASP A 88 2.461 8.051 -7.388 1.00 0.00 C ATOM 1313 OD1 ASP A 88 2.760 7.912 -6.184 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.532 9.143 -7.990 1.00 0.00 O ATOM 0 H ASP A 88 2.019 5.747 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 88 4.005 6.621 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.385 7.156 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.347 6.229 -7.520 1.00 0.00 H new ATOM 1319 N VAL A 89 4.848 4.916 -7.293 1.00 0.00 N ATOM 1320 CA VAL A 89 5.363 3.992 -6.289 1.00 0.00 C ATOM 1321 C VAL A 89 4.434 3.918 -5.082 1.00 0.00 C ATOM 1322 O VAL A 89 4.375 2.900 -4.393 1.00 0.00 O ATOM 1323 CB VAL A 89 6.769 4.406 -5.815 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.728 5.771 -5.145 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.344 3.358 -4.874 1.00 0.00 C ATOM 0 H VAL A 89 5.558 5.505 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 89 5.420 3.011 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 89 7.420 4.476 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.731 6.046 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.362 6.514 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.062 5.733 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.338 3.667 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.694 3.253 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.413 2.402 -5.393 1.00 0.00 H new ATOM 1335 N ASN A 90 3.709 5.004 -4.833 1.00 0.00 N ATOM 1336 CA ASN A 90 2.782 5.062 -3.708 1.00 0.00 C ATOM 1337 C ASN A 90 1.797 3.897 -3.755 1.00 0.00 C ATOM 1338 O ASN A 90 1.523 3.260 -2.737 1.00 0.00 O ATOM 1339 CB ASN A 90 2.020 6.389 -3.716 1.00 0.00 C ATOM 1340 CG ASN A 90 1.434 6.727 -2.359 1.00 0.00 C ATOM 1341 OD1 ASN A 90 1.266 5.854 -1.508 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.120 8.001 -2.152 1.00 0.00 N ATOM 0 H ASN A 90 3.745 5.855 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 90 3.361 4.989 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.692 7.189 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.218 6.340 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.722 8.289 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.277 8.691 -2.887 1.00 0.00 H new ATOM 1349 N LYS A 91 1.269 3.624 -4.943 1.00 0.00 N ATOM 1350 CA LYS A 91 0.316 2.535 -5.124 1.00 0.00 C ATOM 1351 C LYS A 91 0.949 1.193 -4.772 1.00 0.00 C ATOM 1352 O LYS A 91 0.596 0.572 -3.768 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.191 2.508 -6.568 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.686 3.856 -7.064 1.00 0.00 C ATOM 1355 CD LYS A 91 -2.009 4.235 -6.420 1.00 0.00 C ATOM 1356 CE LYS A 91 -3.190 3.736 -7.240 1.00 0.00 C ATOM 1357 NZ LYS A 91 -4.388 4.606 -7.072 1.00 0.00 N ATOM 0 H LYS A 91 1.485 4.142 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.525 2.707 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.612 2.163 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.000 1.782 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.059 4.621 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.803 3.826 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.059 3.816 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.068 5.319 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.912 3.700 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.436 2.717 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.250 4.029 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.360 5.059 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.392 5.338 -7.811 1.00 0.00 H new ATOM 1371 N THR A 92 1.889 0.751 -5.602 1.00 0.00 N ATOM 1372 CA THR A 92 2.572 -0.517 -5.378 1.00 0.00 C ATOM 1373 C THR A 92 2.973 -0.674 -3.916 1.00 0.00 C ATOM 1374 O THR A 92 2.736 -1.717 -3.306 1.00 0.00 O ATOM 1375 CB THR A 92 3.828 -0.642 -6.260 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.625 -1.748 -5.823 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.653 0.635 -6.211 1.00 0.00 C ATOM 0 H THR A 92 2.195 1.253 -6.436 1.00 0.00 H new ATOM 0 HA THR A 92 1.870 -1.306 -5.646 1.00 0.00 H new ATOM 0 HB THR A 92 3.508 -0.809 -7.288 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.421 -1.822 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.535 0.523 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.053 1.470 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.963 0.828 -5.184 1.00 0.00 H new ATOM 1385 N ARG A 93 3.582 0.368 -3.359 1.00 0.00 N ATOM 1386 CA ARG A 93 4.017 0.345 -1.968 1.00 0.00 C ATOM 1387 C ARG A 93 3.060 -0.480 -1.112 1.00 0.00 C ATOM 1388 O ARG A 93 3.477 -1.166 -0.179 1.00 0.00 O ATOM 1389 CB ARG A 93 4.113 1.769 -1.417 1.00 0.00 C ATOM 1390 CG ARG A 93 5.489 2.394 -1.581 1.00 0.00 C ATOM 1391 CD ARG A 93 5.787 3.383 -0.465 1.00 0.00 C ATOM 1392 NE ARG A 93 5.357 4.736 -0.804 1.00 0.00 N ATOM 1393 CZ ARG A 93 5.602 5.798 -0.044 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.271 5.663 1.092 1.00 0.00 N ATOM 1395 NH2 ARG A 93 5.177 6.997 -0.420 1.00 0.00 N ATOM 0 H ARG A 93 3.785 1.239 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 93 5.003 -0.119 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.377 2.395 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.852 1.758 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.247 1.611 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.547 2.902 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.286 3.061 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.857 3.384 -0.258 1.00 0.00 H new ATOM 0 HE ARG A 93 4.840 4.874 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.599 4.742 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.458 6.480 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.661 7.105 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.366 7.811 0.164 1.00 0.00 H new ATOM 1409 N LYS A 94 1.773 -0.407 -1.436 1.00 0.00 N ATOM 1410 CA LYS A 94 0.755 -1.146 -0.700 1.00 0.00 C ATOM 1411 C LYS A 94 0.624 -2.570 -1.231 1.00 0.00 C ATOM 1412 O LYS A 94 0.697 -3.535 -0.470 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.594 -0.429 -0.795 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.497 1.076 -0.615 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.756 1.645 0.017 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.452 2.881 0.849 1.00 0.00 C ATOM 1417 NZ LYS A 94 -2.648 3.757 0.997 1.00 0.00 N ATOM 0 H LYS A 94 1.411 0.157 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 94 1.062 -1.194 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.042 -0.642 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.266 -0.834 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.364 1.314 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.329 1.549 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.474 1.898 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.223 0.887 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.100 2.578 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.645 3.444 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.461 4.678 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.466 3.309 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.853 3.896 2.007 1.00 0.00 H new ATOM 1431 N ILE A 95 0.433 -2.693 -2.540 1.00 0.00 N ATOM 1432 CA ILE A 95 0.295 -3.999 -3.172 1.00 0.00 C ATOM 1433 C ILE A 95 1.452 -4.918 -2.793 1.00 0.00 C ATOM 1434 O ILE A 95 1.242 -6.051 -2.360 1.00 0.00 O ATOM 1435 CB ILE A 95 0.232 -3.878 -4.706 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -0.905 -2.941 -5.120 1.00 0.00 C ATOM 1437 CG2 ILE A 95 0.052 -5.250 -5.339 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -0.889 -2.583 -6.589 1.00 0.00 C ATOM 0 H ILE A 95 0.370 -1.904 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.640 -4.427 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 95 1.172 -3.456 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.858 -3.412 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.844 -2.026 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.009 -5.148 -6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.892 -5.889 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.875 -5.698 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.723 -1.917 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.049 -2.083 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.982 -3.490 -7.186 1.00 0.00 H new ATOM 1450 N TYR A 96 2.673 -4.421 -2.956 1.00 0.00 N ATOM 1451 CA TYR A 96 3.864 -5.197 -2.632 1.00 0.00 C ATOM 1452 C TYR A 96 3.807 -5.707 -1.195 1.00 0.00 C ATOM 1453 O TYR A 96 3.984 -6.898 -0.939 1.00 0.00 O ATOM 1454 CB TYR A 96 5.121 -4.350 -2.835 1.00 0.00 C ATOM 1455 CG TYR A 96 6.391 -5.033 -2.380 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.946 -6.073 -3.116 1.00 0.00 C ATOM 1457 CD2 TYR A 96 7.037 -4.638 -1.215 1.00 0.00 C ATOM 1458 CE1 TYR A 96 8.105 -6.701 -2.704 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.198 -5.258 -0.796 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.728 -6.290 -1.544 1.00 0.00 C ATOM 1461 OH TYR A 96 9.884 -6.911 -1.130 1.00 0.00 O ATOM 0 H TYR A 96 2.864 -3.484 -3.311 1.00 0.00 H new ATOM 0 HA TYR A 96 3.901 -6.056 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.212 -4.098 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.008 -3.412 -2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.462 -6.396 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.624 -3.832 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.521 -7.509 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.688 -4.937 0.111 1.00 0.00 H new ATOM 0 HH TYR A 96 10.378 -7.238 -1.911 1.00 0.00 H new ATOM 1471 N ASP A 97 3.557 -4.796 -0.261 1.00 0.00 N ATOM 1472 CA ASP A 97 3.475 -5.151 1.151 1.00 0.00 C ATOM 1473 C ASP A 97 2.471 -6.279 1.370 1.00 0.00 C ATOM 1474 O ASP A 97 2.752 -7.244 2.080 1.00 0.00 O ATOM 1475 CB ASP A 97 3.079 -3.931 1.984 1.00 0.00 C ATOM 1476 CG ASP A 97 1.582 -3.838 2.201 1.00 0.00 C ATOM 1477 OD1 ASP A 97 1.007 -4.782 2.785 1.00 0.00 O ATOM 1478 OD2 ASP A 97 0.984 -2.823 1.788 1.00 0.00 O ATOM 0 H ASP A 97 3.408 -3.806 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 97 4.458 -5.496 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.581 -3.976 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.428 -3.026 1.486 1.00 0.00 H new ATOM 1483 N PHE A 98 1.300 -6.148 0.756 1.00 0.00 N ATOM 1484 CA PHE A 98 0.253 -7.155 0.885 1.00 0.00 C ATOM 1485 C PHE A 98 0.718 -8.498 0.329 1.00 0.00 C ATOM 1486 O PHE A 98 0.434 -9.552 0.900 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.014 -6.700 0.158 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.020 -7.799 -0.038 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.826 -8.214 1.009 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.158 -8.417 -1.271 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.753 -9.224 0.832 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.083 -9.427 -1.454 1.00 0.00 C ATOM 1493 CZ PHE A 98 -3.880 -9.832 -0.401 1.00 0.00 C ATOM 0 H PHE A 98 1.052 -5.355 0.164 1.00 0.00 H new ATOM 0 HA PHE A 98 0.031 -7.278 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.477 -5.891 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.739 -6.292 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.729 -7.743 1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.536 -8.106 -2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.377 -9.537 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.183 -9.900 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.601 -10.623 -0.542 1.00 0.00 H new ATOM 1503 N LEU A 99 1.433 -8.452 -0.789 1.00 0.00 N ATOM 1504 CA LEU A 99 1.938 -9.664 -1.425 1.00 0.00 C ATOM 1505 C LEU A 99 3.034 -10.306 -0.580 1.00 0.00 C ATOM 1506 O LEU A 99 3.112 -11.530 -0.473 1.00 0.00 O ATOM 1507 CB LEU A 99 2.476 -9.345 -2.821 1.00 0.00 C ATOM 1508 CG LEU A 99 1.451 -8.834 -3.834 1.00 0.00 C ATOM 1509 CD1 LEU A 99 2.132 -8.465 -5.143 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.368 -9.878 -4.071 1.00 0.00 C ATOM 0 H LEU A 99 1.676 -7.589 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 99 1.112 -10.370 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.264 -8.598 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.939 -10.246 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 99 0.982 -7.938 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.387 -8.103 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.870 -7.683 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.628 -9.344 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.353 -9.497 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.821 -10.791 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.141 -10.094 -3.132 1.00 0.00 H new ATOM 1522 N ILE A 100 3.877 -9.472 0.019 1.00 0.00 N ATOM 1523 CA ILE A 100 4.966 -9.958 0.857 1.00 0.00 C ATOM 1524 C ILE A 100 4.432 -10.687 2.085 1.00 0.00 C ATOM 1525 O ILE A 100 4.926 -11.754 2.450 1.00 0.00 O ATOM 1526 CB ILE A 100 5.881 -8.807 1.315 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.610 -8.198 0.115 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.879 -9.303 2.351 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.760 -9.043 -0.386 1.00 0.00 C ATOM 0 H ILE A 100 3.827 -8.456 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 100 5.546 -10.652 0.249 1.00 0.00 H new ATOM 0 HB ILE A 100 5.265 -8.034 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.897 -8.051 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.987 -7.213 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.518 -8.478 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.342 -9.695 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.492 -10.092 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.230 -8.550 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.493 -9.169 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.387 -10.020 -0.693 1.00 0.00 H new ATOM 1541 N ARG A 101 3.418 -10.104 2.717 1.00 0.00 N ATOM 1542 CA ARG A 101 2.815 -10.698 3.904 1.00 0.00 C ATOM 1543 C ARG A 101 1.870 -11.834 3.524 1.00 0.00 C ATOM 1544 O ARG A 101 1.575 -12.707 4.339 1.00 0.00 O ATOM 1545 CB ARG A 101 2.058 -9.637 4.704 1.00 0.00 C ATOM 1546 CG ARG A 101 0.916 -8.994 3.933 1.00 0.00 C ATOM 1547 CD ARG A 101 0.351 -7.792 4.674 1.00 0.00 C ATOM 1548 NE ARG A 101 -1.048 -7.548 4.335 1.00 0.00 N ATOM 1549 CZ ARG A 101 -1.861 -6.794 5.067 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.415 -6.212 6.172 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -3.122 -6.620 4.693 1.00 0.00 N ATOM 0 H ARG A 101 2.997 -9.221 2.427 1.00 0.00 H new ATOM 0 HA ARG A 101 3.616 -11.106 4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.662 -10.092 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.757 -8.861 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.269 -8.684 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.126 -9.728 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.441 -7.953 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.942 -6.908 4.434 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.422 -7.980 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.446 -6.343 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.041 -5.634 6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.468 -7.065 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.746 -6.041 5.256 1.00 0.00 H new ATOM 1565 N GLU A 102 1.400 -11.815 2.280 1.00 0.00 N ATOM 1566 CA GLU A 102 0.488 -12.843 1.793 1.00 0.00 C ATOM 1567 C GLU A 102 1.249 -14.107 1.405 1.00 0.00 C ATOM 1568 O GLU A 102 0.716 -15.213 1.478 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.306 -12.323 0.592 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.524 -11.501 0.978 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.685 -12.360 1.442 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.107 -13.251 0.674 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.171 -12.141 2.571 1.00 0.00 O ATOM 0 H GLU A 102 1.636 -11.100 1.592 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.204 -13.090 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.350 -11.715 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.627 -13.170 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.252 -10.806 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.839 -10.902 0.124 1.00 0.00 H new ATOM 1580 N GLY A 103 2.501 -13.933 0.990 1.00 0.00 N ATOM 1581 CA GLY A 103 3.316 -15.067 0.596 1.00 0.00 C ATOM 1582 C GLY A 103 3.334 -15.274 -0.906 1.00 0.00 C ATOM 1583 O GLY A 103 3.462 -16.401 -1.383 1.00 0.00 O ATOM 0 H GLY A 103 2.965 -13.027 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.336 -14.919 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.938 -15.968 1.079 1.00 0.00 H new ATOM 1587 N TYR A 104 3.203 -14.183 -1.653 1.00 0.00 N ATOM 1588 CA TYR A 104 3.200 -14.250 -3.109 1.00 0.00 C ATOM 1589 C TYR A 104 4.592 -13.976 -3.670 1.00 0.00 C ATOM 1590 O TYR A 104 4.977 -14.526 -4.702 1.00 0.00 O ATOM 1591 CB TYR A 104 2.200 -13.247 -3.685 1.00 0.00 C ATOM 1592 CG TYR A 104 0.758 -13.683 -3.549 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.219 -14.641 -4.398 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.064 -13.136 -2.572 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.098 -15.042 -4.278 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.381 -13.531 -2.443 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.894 -14.484 -3.298 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.206 -14.880 -3.174 1.00 0.00 O ATOM 0 H TYR A 104 3.098 -13.242 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 104 2.902 -15.257 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.330 -12.288 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.425 -13.088 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.840 -15.080 -5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.334 -12.389 -1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.502 -15.787 -4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.006 -13.096 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.627 -14.392 -2.436 1.00 0.00 H new ATOM 1608 N ILE A 105 5.343 -13.123 -2.981 1.00 0.00 N ATOM 1609 CA ILE A 105 6.693 -12.777 -3.408 1.00 0.00 C ATOM 1610 C ILE A 105 7.664 -12.798 -2.233 1.00 0.00 C ATOM 1611 O ILE A 105 7.264 -13.007 -1.086 1.00 0.00 O ATOM 1612 CB ILE A 105 6.735 -11.386 -4.069 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.865 -10.399 -3.287 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.275 -11.474 -5.517 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.852 -9.007 -3.877 1.00 0.00 C ATOM 0 H ILE A 105 5.039 -12.659 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 105 6.995 -13.527 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 105 7.763 -11.024 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.844 -10.778 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.224 -10.346 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.310 -10.484 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.931 -12.149 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.254 -11.853 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.216 -8.361 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.866 -8.608 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.465 -9.047 -4.895 1.00 0.00 H new ATOM 1627 N THR A 106 8.942 -12.580 -2.524 1.00 0.00 N ATOM 1628 CA THR A 106 9.971 -12.573 -1.492 1.00 0.00 C ATOM 1629 C THR A 106 10.653 -11.213 -1.404 1.00 0.00 C ATOM 1630 O THR A 106 10.759 -10.494 -2.398 1.00 0.00 O ATOM 1631 CB THR A 106 11.037 -13.653 -1.754 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.446 -14.772 -2.425 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.672 -14.114 -0.451 1.00 0.00 C ATOM 0 H THR A 106 9.290 -12.406 -3.467 1.00 0.00 H new ATOM 0 HA THR A 106 9.472 -12.787 -0.547 1.00 0.00 H new ATOM 0 HB THR A 106 11.814 -13.220 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.799 -14.830 -3.337 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.422 -14.877 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.146 -13.266 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.904 -14.530 0.201 1.00 0.00 H new ATOM 1641 N LYS A 107 11.115 -10.864 -0.208 1.00 0.00 N ATOM 1642 CA LYS A 107 11.790 -9.590 0.010 1.00 0.00 C ATOM 1643 C LYS A 107 13.173 -9.589 -0.633 1.00 0.00 C ATOM 1644 O LYS A 107 13.996 -10.462 -0.357 1.00 0.00 O ATOM 1645 CB LYS A 107 11.912 -9.304 1.509 1.00 0.00 C ATOM 1646 CG LYS A 107 11.911 -7.823 1.848 1.00 0.00 C ATOM 1647 CD LYS A 107 10.500 -7.302 2.064 1.00 0.00 C ATOM 1648 CE LYS A 107 10.484 -6.114 3.013 1.00 0.00 C ATOM 1649 NZ LYS A 107 11.010 -4.880 2.367 1.00 0.00 N ATOM 0 H LYS A 107 11.034 -11.446 0.626 1.00 0.00 H new ATOM 0 HA LYS A 107 11.192 -8.807 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.087 -9.788 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.832 -9.753 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.504 -7.654 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.387 -7.264 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.068 -7.010 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.874 -8.099 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.465 -5.938 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.082 -6.345 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.982 -4.093 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.991 -5.039 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.424 -4.644 1.541 1.00 0.00 H new ATOM 1663 N ALA A 108 13.423 -8.604 -1.489 1.00 0.00 N ATOM 1664 CA ALA A 108 14.708 -8.488 -2.167 1.00 0.00 C ATOM 1665 C ALA A 108 15.621 -7.501 -1.449 1.00 0.00 C ATOM 1666 O ALA A 108 16.600 -7.018 -2.020 1.00 0.00 O ATOM 1667 CB ALA A 108 14.504 -8.065 -3.614 1.00 0.00 C ATOM 0 H ALA A 108 12.752 -7.874 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 108 15.190 -9.466 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.472 -7.982 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.896 -8.809 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.998 -7.100 -3.643 1.00 0.00 H new TER 1673 ALA A 108