USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 752 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 72 LYS NZ :NH3+ -114:sc= -0.289 (180deg=-0.178) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.944 K(o=-1.2,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.134 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.18) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.2!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -129:sc= -0.864 (180deg=-1.33) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.693 USER MOD Single : A 37 ASN : amide:sc= -0.0692 K(o=-0.069,f=-3.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00594 X(o=-0.0059,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.36) USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.56!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 170:sc= -1.15 USER MOD Single : A 64 ASN : amide:sc= 0.0749 X(o=0.075,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0.699 (180deg=0.653) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0255 (180deg=-0.259) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.004 5.525 -44.170 1.00 0.00 N ATOM 2 CA GLY A 1 -20.785 6.554 -43.170 1.00 0.00 C ATOM 3 C GLY A 1 -19.735 6.159 -42.151 1.00 0.00 C ATOM 4 O GLY A 1 -18.569 6.530 -42.275 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.730 5.844 -44.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.116 5.342 -44.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.323 4.651 -43.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.479 7.476 -43.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.724 6.763 -42.657 1.00 0.00 H new ATOM 8 N SER A 2 -20.151 5.404 -41.138 1.00 0.00 N ATOM 9 CA SER A 2 -19.239 4.962 -40.090 1.00 0.00 C ATOM 10 C SER A 2 -19.872 3.859 -39.248 1.00 0.00 C ATOM 11 O SER A 2 -21.070 3.889 -38.964 1.00 0.00 O ATOM 12 CB SER A 2 -18.848 6.140 -39.195 1.00 0.00 C ATOM 13 OG SER A 2 -19.956 6.992 -38.960 1.00 0.00 O ATOM 0 H SER A 2 -21.113 5.086 -41.022 1.00 0.00 H new ATOM 0 HA SER A 2 -18.344 4.563 -40.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.464 5.767 -38.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.043 6.706 -39.664 1.00 0.00 H new ATOM 0 HG SER A 2 -19.680 7.736 -38.384 1.00 0.00 H new ATOM 19 N SER A 3 -19.059 2.884 -38.853 1.00 0.00 N ATOM 20 CA SER A 3 -19.540 1.768 -38.047 1.00 0.00 C ATOM 21 C SER A 3 -19.165 1.956 -36.580 1.00 0.00 C ATOM 22 O SER A 3 -18.116 1.498 -36.131 1.00 0.00 O ATOM 23 CB SER A 3 -18.962 0.450 -38.567 1.00 0.00 C ATOM 24 OG SER A 3 -19.277 0.261 -39.936 1.00 0.00 O ATOM 0 H SER A 3 -18.065 2.844 -39.078 1.00 0.00 H new ATOM 0 HA SER A 3 -20.627 1.737 -38.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.880 0.447 -38.436 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.357 -0.380 -37.982 1.00 0.00 H new ATOM 0 HG SER A 3 -18.895 -0.587 -40.245 1.00 0.00 H new ATOM 30 N GLY A 4 -20.034 2.636 -35.836 1.00 0.00 N ATOM 31 CA GLY A 4 -19.778 2.873 -34.428 1.00 0.00 C ATOM 32 C GLY A 4 -21.025 2.729 -33.579 1.00 0.00 C ATOM 33 O GLY A 4 -22.133 2.617 -34.105 1.00 0.00 O ATOM 0 H GLY A 4 -20.910 3.026 -36.184 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.020 2.172 -34.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.369 3.875 -34.300 1.00 0.00 H new ATOM 37 N SER A 5 -20.847 2.729 -32.262 1.00 0.00 N ATOM 38 CA SER A 5 -21.967 2.591 -31.339 1.00 0.00 C ATOM 39 C SER A 5 -22.033 3.778 -30.383 1.00 0.00 C ATOM 40 O SER A 5 -21.195 4.679 -30.436 1.00 0.00 O ATOM 41 CB SER A 5 -21.843 1.289 -30.545 1.00 0.00 C ATOM 42 OG SER A 5 -21.364 0.236 -31.363 1.00 0.00 O ATOM 0 H SER A 5 -19.937 2.823 -31.810 1.00 0.00 H new ATOM 0 HA SER A 5 -22.887 2.566 -31.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.167 1.436 -29.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.814 1.019 -30.130 1.00 0.00 H new ATOM 0 HG SER A 5 -21.292 -0.584 -30.832 1.00 0.00 H new ATOM 48 N SER A 6 -23.034 3.772 -29.510 1.00 0.00 N ATOM 49 CA SER A 6 -23.213 4.850 -28.544 1.00 0.00 C ATOM 50 C SER A 6 -24.325 4.514 -27.555 1.00 0.00 C ATOM 51 O SER A 6 -24.845 3.399 -27.542 1.00 0.00 O ATOM 52 CB SER A 6 -23.535 6.161 -29.265 1.00 0.00 C ATOM 53 OG SER A 6 -24.934 6.379 -29.327 1.00 0.00 O ATOM 0 H SER A 6 -23.734 3.033 -29.451 1.00 0.00 H new ATOM 0 HA SER A 6 -22.281 4.967 -27.990 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.057 6.992 -28.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.123 6.136 -30.274 1.00 0.00 H new ATOM 0 HG SER A 6 -25.113 7.224 -29.791 1.00 0.00 H new ATOM 59 N GLY A 7 -24.686 5.489 -26.726 1.00 0.00 N ATOM 60 CA GLY A 7 -25.734 5.279 -25.744 1.00 0.00 C ATOM 61 C GLY A 7 -25.253 4.490 -24.543 1.00 0.00 C ATOM 62 O GLY A 7 -25.515 3.293 -24.431 1.00 0.00 O ATOM 0 H GLY A 7 -24.271 6.421 -26.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.115 6.245 -25.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.566 4.752 -26.212 1.00 0.00 H new ATOM 66 N GLY A 8 -24.544 5.162 -23.640 1.00 0.00 N ATOM 67 CA GLY A 8 -24.035 4.500 -22.454 1.00 0.00 C ATOM 68 C GLY A 8 -23.387 5.467 -21.483 1.00 0.00 C ATOM 69 O GLY A 8 -22.299 5.207 -20.972 1.00 0.00 O ATOM 0 H GLY A 8 -24.314 6.153 -23.710 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -24.852 3.980 -21.953 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -23.308 3.743 -22.748 1.00 0.00 H new ATOM 73 N GLN A 9 -24.058 6.587 -21.230 1.00 0.00 N ATOM 74 CA GLN A 9 -23.539 7.597 -20.315 1.00 0.00 C ATOM 75 C GLN A 9 -24.539 7.888 -19.202 1.00 0.00 C ATOM 76 O GLN A 9 -24.589 8.999 -18.672 1.00 0.00 O ATOM 77 CB GLN A 9 -23.214 8.884 -21.075 1.00 0.00 C ATOM 78 CG GLN A 9 -22.156 9.740 -20.397 1.00 0.00 C ATOM 79 CD GLN A 9 -20.789 9.592 -21.035 1.00 0.00 C ATOM 80 OE1 GLN A 9 -20.406 8.503 -21.462 1.00 0.00 O ATOM 81 NE2 GLN A 9 -20.045 10.690 -21.103 1.00 0.00 N ATOM 0 H GLN A 9 -24.961 6.817 -21.645 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.625 7.209 -19.865 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -22.874 8.628 -22.078 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -24.126 9.470 -21.188 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -22.460 10.786 -20.437 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -22.093 9.466 -19.344 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.403 11.572 -20.736 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.116 10.651 -21.522 1.00 0.00 H new ATOM 90 N LEU A 10 -25.335 6.884 -18.851 1.00 0.00 N ATOM 91 CA LEU A 10 -26.336 7.033 -17.800 1.00 0.00 C ATOM 92 C LEU A 10 -26.083 6.046 -16.664 1.00 0.00 C ATOM 93 O LEU A 10 -26.328 6.352 -15.497 1.00 0.00 O ATOM 94 CB LEU A 10 -27.739 6.821 -18.371 1.00 0.00 C ATOM 95 CG LEU A 10 -27.965 5.514 -19.131 1.00 0.00 C ATOM 96 CD1 LEU A 10 -29.145 4.753 -18.548 1.00 0.00 C ATOM 97 CD2 LEU A 10 -28.184 5.789 -20.612 1.00 0.00 C ATOM 0 H LEU A 10 -25.307 5.958 -19.278 1.00 0.00 H new ATOM 0 HA LEU A 10 -26.261 8.045 -17.402 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -28.454 6.869 -17.550 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -27.966 7.651 -19.040 1.00 0.00 H new ATOM 0 HG LEU A 10 -27.073 4.896 -19.024 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -29.290 3.826 -19.102 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -28.948 4.523 -17.501 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -30.045 5.364 -18.622 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -28.343 4.847 -21.137 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -29.059 6.427 -20.738 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -27.307 6.290 -21.023 1.00 0.00 H new ATOM 109 N ASP A 11 -25.589 4.864 -17.014 1.00 0.00 N ATOM 110 CA ASP A 11 -25.300 3.833 -16.023 1.00 0.00 C ATOM 111 C ASP A 11 -23.966 4.103 -15.333 1.00 0.00 C ATOM 112 O ASP A 11 -23.120 4.829 -15.856 1.00 0.00 O ATOM 113 CB ASP A 11 -25.276 2.454 -16.683 1.00 0.00 C ATOM 114 CG ASP A 11 -25.928 1.389 -15.823 1.00 0.00 C ATOM 115 OD1 ASP A 11 -27.173 1.290 -15.843 1.00 0.00 O ATOM 116 OD2 ASP A 11 -25.194 0.656 -15.128 1.00 0.00 O ATOM 0 H ASP A 11 -25.380 4.595 -17.976 1.00 0.00 H new ATOM 0 HA ASP A 11 -26.089 3.854 -15.271 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -25.789 2.505 -17.644 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -24.244 2.170 -16.887 1.00 0.00 H new ATOM 121 N LEU A 12 -23.786 3.515 -14.155 1.00 0.00 N ATOM 122 CA LEU A 12 -22.556 3.692 -13.392 1.00 0.00 C ATOM 123 C LEU A 12 -22.415 2.609 -12.327 1.00 0.00 C ATOM 124 O LEU A 12 -23.379 2.272 -11.638 1.00 0.00 O ATOM 125 CB LEU A 12 -22.533 5.074 -12.737 1.00 0.00 C ATOM 126 CG LEU A 12 -21.461 6.039 -13.244 1.00 0.00 C ATOM 127 CD1 LEU A 12 -21.951 7.476 -13.156 1.00 0.00 C ATOM 128 CD2 LEU A 12 -20.171 5.865 -12.455 1.00 0.00 C ATOM 0 H LEU A 12 -24.476 2.912 -13.708 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.715 3.610 -14.081 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.509 5.538 -12.881 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.397 4.943 -11.663 1.00 0.00 H new ATOM 0 HG LEU A 12 -21.258 5.809 -14.290 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -21.175 8.148 -13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.848 7.593 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.183 7.719 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.419 6.560 -12.829 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.359 6.067 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.810 4.843 -12.569 1.00 0.00 H new ATOM 140 N LEU A 13 -21.208 2.070 -12.194 1.00 0.00 N ATOM 141 CA LEU A 13 -20.940 1.027 -11.210 1.00 0.00 C ATOM 142 C LEU A 13 -20.464 1.630 -9.893 1.00 0.00 C ATOM 143 O LEU A 13 -20.001 2.771 -9.852 1.00 0.00 O ATOM 144 CB LEU A 13 -19.892 0.050 -11.746 1.00 0.00 C ATOM 145 CG LEU A 13 -20.097 -1.421 -11.382 1.00 0.00 C ATOM 146 CD1 LEU A 13 -20.016 -2.294 -12.624 1.00 0.00 C ATOM 147 CD2 LEU A 13 -19.071 -1.863 -10.349 1.00 0.00 C ATOM 0 H LEU A 13 -20.399 2.338 -12.755 1.00 0.00 H new ATOM 0 HA LEU A 13 -21.869 0.488 -11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -19.868 0.135 -12.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -18.914 0.361 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.091 -1.533 -10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -20.164 -3.337 -12.346 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -20.789 -1.994 -13.331 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.036 -2.178 -13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -19.232 -2.912 -10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.068 -1.736 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.177 -1.258 -9.449 1.00 0.00 H new ATOM 159 N ARG A 14 -20.578 0.857 -8.818 1.00 0.00 N ATOM 160 CA ARG A 14 -20.158 1.315 -7.499 1.00 0.00 C ATOM 161 C ARG A 14 -18.845 0.656 -7.087 1.00 0.00 C ATOM 162 O ARG A 14 -18.606 -0.514 -7.387 1.00 0.00 O ATOM 163 CB ARG A 14 -21.240 1.012 -6.461 1.00 0.00 C ATOM 164 CG ARG A 14 -22.110 2.211 -6.121 1.00 0.00 C ATOM 165 CD ARG A 14 -23.266 2.356 -7.098 1.00 0.00 C ATOM 166 NE ARG A 14 -24.405 1.520 -6.727 1.00 0.00 N ATOM 167 CZ ARG A 14 -25.607 1.628 -7.281 1.00 0.00 C ATOM 168 NH1 ARG A 14 -25.826 2.531 -8.227 1.00 0.00 N ATOM 169 NH2 ARG A 14 -26.593 0.831 -6.890 1.00 0.00 N ATOM 0 H ARG A 14 -20.958 -0.090 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 14 -20.004 2.393 -7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.874 0.208 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.766 0.648 -5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -22.499 2.104 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -21.504 3.117 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -23.579 3.399 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -22.930 2.087 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 14 -24.270 0.815 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -25.070 3.145 -8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -26.750 2.612 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -26.428 0.135 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -27.516 0.915 -7.316 1.00 0.00 H new ATOM 183 N SER A 15 -17.997 1.415 -6.400 1.00 0.00 N ATOM 184 CA SER A 15 -16.707 0.906 -5.951 1.00 0.00 C ATOM 185 C SER A 15 -15.932 0.290 -7.112 1.00 0.00 C ATOM 186 O SER A 15 -15.990 -0.918 -7.340 1.00 0.00 O ATOM 187 CB SER A 15 -16.901 -0.133 -4.845 1.00 0.00 C ATOM 188 OG SER A 15 -17.049 0.491 -3.581 1.00 0.00 O ATOM 0 H SER A 15 -18.181 2.385 -6.142 1.00 0.00 H new ATOM 0 HA SER A 15 -16.132 1.743 -5.556 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.781 -0.739 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.046 -0.809 -4.823 1.00 0.00 H new ATOM 0 HG SER A 15 -17.173 -0.194 -2.891 1.00 0.00 H new ATOM 194 N ASN A 16 -15.207 1.130 -7.844 1.00 0.00 N ATOM 195 CA ASN A 16 -14.421 0.669 -8.982 1.00 0.00 C ATOM 196 C ASN A 16 -12.948 0.536 -8.608 1.00 0.00 C ATOM 197 O ASN A 16 -12.421 1.325 -7.822 1.00 0.00 O ATOM 198 CB ASN A 16 -14.575 1.634 -10.159 1.00 0.00 C ATOM 199 CG ASN A 16 -15.671 1.209 -11.116 1.00 0.00 C ATOM 200 OD1 ASN A 16 -16.681 1.898 -11.267 1.00 0.00 O ATOM 201 ND2 ASN A 16 -15.478 0.069 -11.768 1.00 0.00 N ATOM 0 H ASN A 16 -15.148 2.133 -7.669 1.00 0.00 H new ATOM 0 HA ASN A 16 -14.793 -0.313 -9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -14.794 2.632 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.630 1.698 -10.699 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -16.182 -0.268 -12.425 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.626 -0.470 -11.612 1.00 0.00 H new ATOM 208 N THR A 17 -12.286 -0.467 -9.177 1.00 0.00 N ATOM 209 CA THR A 17 -10.874 -0.704 -8.903 1.00 0.00 C ATOM 210 C THR A 17 -10.017 0.459 -9.390 1.00 0.00 C ATOM 211 O THR A 17 -10.507 1.364 -10.064 1.00 0.00 O ATOM 212 CB THR A 17 -10.384 -2.003 -9.569 1.00 0.00 C ATOM 213 OG1 THR A 17 -10.837 -2.060 -10.926 1.00 0.00 O ATOM 214 CG2 THR A 17 -10.884 -3.223 -8.810 1.00 0.00 C ATOM 0 H THR A 17 -12.705 -1.128 -9.831 1.00 0.00 H new ATOM 0 HA THR A 17 -10.772 -0.798 -7.822 1.00 0.00 H new ATOM 0 HB THR A 17 -9.294 -2.005 -9.550 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.519 -2.888 -11.342 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.525 -4.128 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.512 -3.192 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.974 -3.224 -8.800 1.00 0.00 H new ATOM 222 N GLY A 18 -8.734 0.427 -9.045 1.00 0.00 N ATOM 223 CA GLY A 18 -7.829 1.484 -9.457 1.00 0.00 C ATOM 224 C GLY A 18 -6.789 1.003 -10.449 1.00 0.00 C ATOM 225 O GLY A 18 -7.114 0.675 -11.591 1.00 0.00 O ATOM 0 H GLY A 18 -8.305 -0.312 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.403 2.296 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.328 1.892 -8.579 1.00 0.00 H new ATOM 229 N LEU A 19 -5.534 0.962 -10.016 1.00 0.00 N ATOM 230 CA LEU A 19 -4.441 0.519 -10.875 1.00 0.00 C ATOM 231 C LEU A 19 -3.783 -0.738 -10.314 1.00 0.00 C ATOM 232 O LEU A 19 -3.843 -1.000 -9.112 1.00 0.00 O ATOM 233 CB LEU A 19 -3.401 1.630 -11.024 1.00 0.00 C ATOM 234 CG LEU A 19 -3.504 2.481 -12.291 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.396 3.959 -11.951 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.428 2.081 -13.290 1.00 0.00 C ATOM 0 H LEU A 19 -5.248 1.230 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.855 0.283 -11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.478 2.290 -10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.409 1.178 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.478 2.305 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.471 4.549 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.203 4.236 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.436 4.153 -11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.516 2.696 -14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.444 2.228 -12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.552 1.032 -13.557 1.00 0.00 H new ATOM 248 N LEU A 20 -3.153 -1.511 -11.192 1.00 0.00 N ATOM 249 CA LEU A 20 -2.481 -2.740 -10.785 1.00 0.00 C ATOM 250 C LEU A 20 -0.980 -2.513 -10.629 1.00 0.00 C ATOM 251 O LEU A 20 -0.399 -1.654 -11.292 1.00 0.00 O ATOM 252 CB LEU A 20 -2.737 -3.848 -11.808 1.00 0.00 C ATOM 253 CG LEU A 20 -2.400 -5.269 -11.357 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.148 -5.615 -10.079 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.727 -6.269 -12.456 1.00 0.00 C ATOM 0 H LEU A 20 -3.094 -1.308 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.887 -3.045 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.789 -3.818 -12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.160 -3.627 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.331 -5.321 -11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.896 -6.630 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.864 -4.917 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.221 -5.546 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.481 -7.275 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.790 -6.216 -12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.145 -6.033 -13.347 1.00 0.00 H new ATOM 267 N TYR A 21 -0.358 -3.291 -9.750 1.00 0.00 N ATOM 268 CA TYR A 21 1.075 -3.175 -9.506 1.00 0.00 C ATOM 269 C TYR A 21 1.724 -4.553 -9.411 1.00 0.00 C ATOM 270 O TYR A 21 1.103 -5.514 -8.956 1.00 0.00 O ATOM 271 CB TYR A 21 1.333 -2.388 -8.221 1.00 0.00 C ATOM 272 CG TYR A 21 1.476 -0.899 -8.441 1.00 0.00 C ATOM 273 CD1 TYR A 21 2.717 -0.332 -8.706 1.00 0.00 C ATOM 274 CD2 TYR A 21 0.371 -0.059 -8.386 1.00 0.00 C ATOM 275 CE1 TYR A 21 2.852 1.028 -8.908 1.00 0.00 C ATOM 276 CE2 TYR A 21 0.496 1.302 -8.587 1.00 0.00 C ATOM 277 CZ TYR A 21 1.739 1.841 -8.847 1.00 0.00 C ATOM 278 OH TYR A 21 1.870 3.196 -9.049 1.00 0.00 O ATOM 0 H TYR A 21 -0.824 -4.009 -9.195 1.00 0.00 H new ATOM 0 HA TYR A 21 1.519 -2.641 -10.346 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.514 -2.567 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.240 -2.766 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.590 -0.965 -8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.604 -0.478 -8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.824 1.453 -9.113 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.374 1.940 -8.541 1.00 0.00 H new ATOM 0 HH TYR A 21 0.992 3.624 -8.973 1.00 0.00 H new ATOM 288 N ARG A 22 2.977 -4.640 -9.844 1.00 0.00 N ATOM 289 CA ARG A 22 3.712 -5.899 -9.809 1.00 0.00 C ATOM 290 C ARG A 22 5.198 -5.654 -9.563 1.00 0.00 C ATOM 291 O ARG A 22 5.725 -4.592 -9.893 1.00 0.00 O ATOM 292 CB ARG A 22 3.521 -6.662 -11.121 1.00 0.00 C ATOM 293 CG ARG A 22 2.127 -7.244 -11.289 1.00 0.00 C ATOM 294 CD ARG A 22 1.874 -7.678 -12.725 1.00 0.00 C ATOM 295 NE ARG A 22 2.697 -8.823 -13.104 1.00 0.00 N ATOM 296 CZ ARG A 22 2.911 -9.189 -14.363 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.365 -8.505 -15.358 1.00 0.00 N ATOM 298 NH2 ARG A 22 3.673 -10.243 -14.628 1.00 0.00 N ATOM 0 H ARG A 22 3.505 -3.854 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 22 3.319 -6.498 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.729 -5.992 -11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.251 -7.470 -11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.005 -8.098 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.384 -6.502 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.821 -7.932 -12.847 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.080 -6.845 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 22 3.131 -9.372 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.778 -7.695 -15.158 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.531 -8.789 -16.324 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.095 -10.772 -13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.837 -10.524 -15.595 1.00 0.00 H new ATOM 312 N ILE A 23 5.866 -6.644 -8.980 1.00 0.00 N ATOM 313 CA ILE A 23 7.290 -6.536 -8.689 1.00 0.00 C ATOM 314 C ILE A 23 8.129 -6.981 -9.882 1.00 0.00 C ATOM 315 O ILE A 23 7.695 -7.803 -10.690 1.00 0.00 O ATOM 316 CB ILE A 23 7.679 -7.378 -7.460 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.305 -8.845 -7.680 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.003 -6.835 -6.210 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.176 -9.813 -6.910 1.00 0.00 C ATOM 0 H ILE A 23 5.444 -7.529 -8.700 1.00 0.00 H new ATOM 0 HA ILE A 23 7.490 -5.486 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 23 8.758 -7.315 -7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.265 -8.994 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.374 -9.074 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.288 -7.441 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.315 -5.803 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.921 -6.871 -6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.854 -10.834 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.215 -9.692 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.088 -9.611 -5.842 1.00 0.00 H new ATOM 331 N LYS A 24 9.336 -6.433 -9.987 1.00 0.00 N ATOM 332 CA LYS A 24 10.239 -6.774 -11.080 1.00 0.00 C ATOM 333 C LYS A 24 11.388 -7.647 -10.583 1.00 0.00 C ATOM 334 O LYS A 24 12.199 -7.214 -9.764 1.00 0.00 O ATOM 335 CB LYS A 24 10.793 -5.503 -11.727 1.00 0.00 C ATOM 336 CG LYS A 24 10.686 -5.495 -13.242 1.00 0.00 C ATOM 337 CD LYS A 24 12.054 -5.585 -13.897 1.00 0.00 C ATOM 338 CE LYS A 24 12.008 -5.129 -15.348 1.00 0.00 C ATOM 339 NZ LYS A 24 12.828 -6.004 -16.231 1.00 0.00 N ATOM 0 H LYS A 24 9.711 -5.751 -9.328 1.00 0.00 H new ATOM 0 HA LYS A 24 9.674 -7.336 -11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.259 -4.640 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.839 -5.388 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.069 -6.332 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.185 -4.584 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.765 -4.971 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.415 -6.612 -13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.975 -5.128 -15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.369 -4.103 -15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.770 -5.660 -17.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.819 -5.985 -15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.468 -6.979 -16.185 1.00 0.00 H new ATOM 353 N ASP A 25 11.451 -8.875 -11.085 1.00 0.00 N ATOM 354 CA ASP A 25 12.502 -9.807 -10.694 1.00 0.00 C ATOM 355 C ASP A 25 12.419 -10.127 -9.205 1.00 0.00 C ATOM 356 O ASP A 25 12.809 -9.319 -8.363 1.00 0.00 O ATOM 357 CB ASP A 25 13.877 -9.227 -11.027 1.00 0.00 C ATOM 358 CG ASP A 25 14.763 -10.220 -11.755 1.00 0.00 C ATOM 359 OD1 ASP A 25 14.953 -11.338 -11.233 1.00 0.00 O ATOM 360 OD2 ASP A 25 15.268 -9.877 -12.845 1.00 0.00 O ATOM 0 H ASP A 25 10.787 -9.248 -11.763 1.00 0.00 H new ATOM 0 HA ASP A 25 12.360 -10.731 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.753 -8.336 -11.642 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.368 -8.913 -10.106 1.00 0.00 H new ATOM 365 N SER A 26 11.905 -11.312 -8.887 1.00 0.00 N ATOM 366 CA SER A 26 11.766 -11.737 -7.499 1.00 0.00 C ATOM 367 C SER A 26 13.088 -11.592 -6.751 1.00 0.00 C ATOM 368 O SER A 26 13.108 -11.275 -5.562 1.00 0.00 O ATOM 369 CB SER A 26 11.286 -13.188 -7.434 1.00 0.00 C ATOM 370 OG SER A 26 11.327 -13.679 -6.105 1.00 0.00 O ATOM 0 H SER A 26 11.578 -11.994 -9.572 1.00 0.00 H new ATOM 0 HA SER A 26 11.026 -11.095 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.268 -13.255 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.911 -13.810 -8.075 1.00 0.00 H new ATOM 0 HG SER A 26 11.014 -14.608 -6.090 1.00 0.00 H new ATOM 376 N GLN A 27 14.189 -11.827 -7.457 1.00 0.00 N ATOM 377 CA GLN A 27 15.515 -11.724 -6.861 1.00 0.00 C ATOM 378 C GLN A 27 16.050 -10.300 -6.966 1.00 0.00 C ATOM 379 O GLN A 27 15.408 -9.427 -7.547 1.00 0.00 O ATOM 380 CB GLN A 27 16.481 -12.696 -7.541 1.00 0.00 C ATOM 381 CG GLN A 27 16.855 -13.888 -6.676 1.00 0.00 C ATOM 382 CD GLN A 27 18.340 -13.952 -6.380 1.00 0.00 C ATOM 383 OE1 GLN A 27 19.164 -13.506 -7.179 1.00 0.00 O ATOM 384 NE2 GLN A 27 18.691 -14.509 -5.227 1.00 0.00 N ATOM 0 H GLN A 27 14.189 -12.090 -8.443 1.00 0.00 H new ATOM 0 HA GLN A 27 15.432 -11.985 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.030 -13.056 -8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.389 -12.159 -7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.303 -13.838 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.549 -14.806 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.975 -14.866 -4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 27 19.677 -14.580 -4.974 1.00 0.00 H new ATOM 393 N ASN A 28 17.231 -10.073 -6.399 1.00 0.00 N ATOM 394 CA ASN A 28 17.852 -8.754 -6.429 1.00 0.00 C ATOM 395 C ASN A 28 16.941 -7.709 -5.791 1.00 0.00 C ATOM 396 O ASN A 28 16.216 -6.997 -6.485 1.00 0.00 O ATOM 397 CB ASN A 28 18.178 -8.353 -7.869 1.00 0.00 C ATOM 398 CG ASN A 28 19.625 -8.622 -8.231 1.00 0.00 C ATOM 399 OD1 ASN A 28 20.047 -9.774 -8.332 1.00 0.00 O ATOM 400 ND2 ASN A 28 20.394 -7.557 -8.427 1.00 0.00 N ATOM 0 H ASN A 28 17.777 -10.785 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 28 18.777 -8.802 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.528 -8.900 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.963 -7.293 -8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.377 -7.676 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.002 -6.620 -8.333 1.00 0.00 H new ATOM 407 N ALA A 29 16.984 -7.624 -4.466 1.00 0.00 N ATOM 408 CA ALA A 29 16.165 -6.665 -3.735 1.00 0.00 C ATOM 409 C ALA A 29 16.748 -6.386 -2.354 1.00 0.00 C ATOM 410 O ALA A 29 16.335 -6.986 -1.362 1.00 0.00 O ATOM 411 CB ALA A 29 14.737 -7.175 -3.614 1.00 0.00 C ATOM 0 H ALA A 29 17.577 -8.208 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 29 16.159 -5.729 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.137 -6.449 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.316 -7.317 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.734 -8.125 -3.080 1.00 0.00 H new ATOM 417 N GLY A 30 17.711 -5.471 -2.297 1.00 0.00 N ATOM 418 CA GLY A 30 18.335 -5.129 -1.032 1.00 0.00 C ATOM 419 C GLY A 30 19.113 -3.830 -1.102 1.00 0.00 C ATOM 420 O GLY A 30 20.123 -3.664 -0.417 1.00 0.00 O ATOM 0 H GLY A 30 18.070 -4.961 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.568 -5.048 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.005 -5.934 -0.731 1.00 0.00 H new ATOM 424 N LYS A 31 18.644 -2.905 -1.933 1.00 0.00 N ATOM 425 CA LYS A 31 19.301 -1.613 -2.091 1.00 0.00 C ATOM 426 C LYS A 31 18.287 -0.476 -2.033 1.00 0.00 C ATOM 427 O LYS A 31 18.393 0.501 -2.774 1.00 0.00 O ATOM 428 CB LYS A 31 20.063 -1.565 -3.417 1.00 0.00 C ATOM 429 CG LYS A 31 19.226 -1.979 -4.615 1.00 0.00 C ATOM 430 CD LYS A 31 19.850 -3.151 -5.353 1.00 0.00 C ATOM 431 CE LYS A 31 18.794 -4.001 -6.043 1.00 0.00 C ATOM 432 NZ LYS A 31 18.764 -3.764 -7.513 1.00 0.00 N ATOM 0 H LYS A 31 17.810 -3.027 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 31 20.006 -1.489 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 20.435 -0.553 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.934 -2.217 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.223 -2.249 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.120 -1.134 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.560 -2.780 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.412 -3.767 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.993 -5.055 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.815 -3.778 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.031 -4.362 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.549 -2.764 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.690 -4.001 -7.922 1.00 0.00 H new ATOM 446 N MET A 32 17.305 -0.609 -1.147 1.00 0.00 N ATOM 447 CA MET A 32 16.273 0.410 -0.992 1.00 0.00 C ATOM 448 C MET A 32 16.845 1.669 -0.347 1.00 0.00 C ATOM 449 O MET A 32 18.059 1.802 -0.191 1.00 0.00 O ATOM 450 CB MET A 32 15.117 -0.129 -0.147 1.00 0.00 C ATOM 451 CG MET A 32 14.552 -1.444 -0.660 1.00 0.00 C ATOM 452 SD MET A 32 13.418 -2.216 0.511 1.00 0.00 S ATOM 453 CE MET A 32 11.889 -1.377 0.105 1.00 0.00 C ATOM 0 H MET A 32 17.202 -1.412 -0.526 1.00 0.00 H new ATOM 0 HA MET A 32 15.900 0.668 -1.983 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.460 -0.266 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.320 0.614 -0.120 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.032 -1.269 -1.602 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.372 -2.130 -0.871 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.439 -0.980 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.095 -0.559 -0.585 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.201 -2.081 -0.363 1.00 0.00 H new ATOM 463 N LYS A 33 15.964 2.590 0.025 1.00 0.00 N ATOM 464 CA LYS A 33 16.380 3.839 0.653 1.00 0.00 C ATOM 465 C LYS A 33 15.172 4.705 0.995 1.00 0.00 C ATOM 466 O LYS A 33 14.180 4.719 0.267 1.00 0.00 O ATOM 467 CB LYS A 33 17.327 4.607 -0.271 1.00 0.00 C ATOM 468 CG LYS A 33 18.633 5.008 0.394 1.00 0.00 C ATOM 469 CD LYS A 33 19.631 5.546 -0.617 1.00 0.00 C ATOM 470 CE LYS A 33 20.617 6.507 0.031 1.00 0.00 C ATOM 471 NZ LYS A 33 21.681 5.786 0.784 1.00 0.00 N ATOM 0 H LYS A 33 14.956 2.496 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 33 16.903 3.595 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.547 3.993 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.822 5.503 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.438 5.766 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.061 4.146 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.174 4.717 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.098 6.056 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.075 7.130 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.083 7.175 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.332 6.475 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.247 5.211 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.208 5.168 0.134 1.00 0.00 H new ATOM 485 N GLY A 34 15.263 5.428 2.107 1.00 0.00 N ATOM 486 CA GLY A 34 14.172 6.288 2.525 1.00 0.00 C ATOM 487 C GLY A 34 12.930 5.506 2.904 1.00 0.00 C ATOM 488 O GLY A 34 12.297 4.882 2.053 1.00 0.00 O ATOM 0 H GLY A 34 16.074 5.433 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.493 6.889 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.930 6.980 1.719 1.00 0.00 H new ATOM 492 N SER A 35 12.581 5.537 4.187 1.00 0.00 N ATOM 493 CA SER A 35 11.410 4.821 4.678 1.00 0.00 C ATOM 494 C SER A 35 11.445 3.359 4.243 1.00 0.00 C ATOM 495 O SER A 35 10.412 2.771 3.923 1.00 0.00 O ATOM 496 CB SER A 35 10.129 5.486 4.171 1.00 0.00 C ATOM 497 OG SER A 35 9.149 5.550 5.192 1.00 0.00 O ATOM 0 H SER A 35 13.093 6.050 4.904 1.00 0.00 H new ATOM 0 HA SER A 35 11.423 4.858 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.354 6.491 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.737 4.927 3.321 1.00 0.00 H new ATOM 0 HG SER A 35 8.341 5.980 4.843 1.00 0.00 H new ATOM 503 N ASP A 36 12.640 2.780 4.233 1.00 0.00 N ATOM 504 CA ASP A 36 12.811 1.386 3.838 1.00 0.00 C ATOM 505 C ASP A 36 11.915 0.472 4.668 1.00 0.00 C ATOM 506 O ASP A 36 11.446 -0.557 4.186 1.00 0.00 O ATOM 507 CB ASP A 36 14.274 0.966 3.994 1.00 0.00 C ATOM 508 CG ASP A 36 14.779 1.141 5.413 1.00 0.00 C ATOM 509 OD1 ASP A 36 15.071 2.291 5.800 1.00 0.00 O ATOM 510 OD2 ASP A 36 14.882 0.127 6.135 1.00 0.00 O ATOM 0 H ASP A 36 13.505 3.254 4.494 1.00 0.00 H new ATOM 0 HA ASP A 36 12.524 1.293 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.383 -0.078 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.892 1.555 3.316 1.00 0.00 H new ATOM 515 N ASN A 37 11.684 0.856 5.919 1.00 0.00 N ATOM 516 CA ASN A 37 10.845 0.070 6.817 1.00 0.00 C ATOM 517 C ASN A 37 9.376 0.170 6.417 1.00 0.00 C ATOM 518 O ASN A 37 8.586 -0.733 6.690 1.00 0.00 O ATOM 519 CB ASN A 37 11.024 0.544 8.261 1.00 0.00 C ATOM 520 CG ASN A 37 12.061 -0.270 9.012 1.00 0.00 C ATOM 521 OD1 ASN A 37 12.114 -1.494 8.888 1.00 0.00 O ATOM 522 ND2 ASN A 37 12.891 0.408 9.796 1.00 0.00 N ATOM 0 H ASN A 37 12.066 1.706 6.334 1.00 0.00 H new ATOM 0 HA ASN A 37 11.154 -0.973 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.319 1.593 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.069 0.481 8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.609 -0.085 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.810 1.422 9.868 1.00 0.00 H new ATOM 529 N GLN A 38 9.019 1.273 5.767 1.00 0.00 N ATOM 530 CA GLN A 38 7.646 1.490 5.329 1.00 0.00 C ATOM 531 C GLN A 38 7.420 0.910 3.937 1.00 0.00 C ATOM 532 O GLN A 38 6.299 0.551 3.578 1.00 0.00 O ATOM 533 CB GLN A 38 7.317 2.984 5.331 1.00 0.00 C ATOM 534 CG GLN A 38 6.108 3.340 6.181 1.00 0.00 C ATOM 535 CD GLN A 38 6.491 3.867 7.549 1.00 0.00 C ATOM 536 OE1 GLN A 38 7.032 4.967 7.675 1.00 0.00 O ATOM 537 NE2 GLN A 38 6.212 3.085 8.585 1.00 0.00 N ATOM 0 H GLN A 38 9.661 2.030 5.532 1.00 0.00 H new ATOM 0 HA GLN A 38 6.984 0.978 6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.182 3.538 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.139 3.310 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.511 4.090 5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.479 2.458 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.763 2.181 8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.446 3.388 9.530 1.00 0.00 H new ATOM 546 N GLU A 39 8.493 0.822 3.157 1.00 0.00 N ATOM 547 CA GLU A 39 8.411 0.286 1.803 1.00 0.00 C ATOM 548 C GLU A 39 8.580 -1.231 1.807 1.00 0.00 C ATOM 549 O GLU A 39 7.918 -1.943 1.052 1.00 0.00 O ATOM 550 CB GLU A 39 9.477 0.926 0.912 1.00 0.00 C ATOM 551 CG GLU A 39 9.001 2.182 0.201 1.00 0.00 C ATOM 552 CD GLU A 39 10.040 3.286 0.208 1.00 0.00 C ATOM 553 OE1 GLU A 39 11.183 3.029 -0.225 1.00 0.00 O ATOM 554 OE2 GLU A 39 9.711 4.408 0.647 1.00 0.00 O ATOM 0 H GLU A 39 9.428 1.115 3.439 1.00 0.00 H new ATOM 0 HA GLU A 39 7.424 0.524 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.348 1.171 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.802 0.198 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.744 1.936 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.090 2.542 0.679 1.00 0.00 H new ATOM 561 N LYS A 40 9.472 -1.719 2.663 1.00 0.00 N ATOM 562 CA LYS A 40 9.729 -3.150 2.768 1.00 0.00 C ATOM 563 C LYS A 40 8.429 -3.923 2.965 1.00 0.00 C ATOM 564 O LYS A 40 8.299 -5.064 2.518 1.00 0.00 O ATOM 565 CB LYS A 40 10.685 -3.433 3.928 1.00 0.00 C ATOM 566 CG LYS A 40 10.088 -3.142 5.294 1.00 0.00 C ATOM 567 CD LYS A 40 11.011 -3.590 6.414 1.00 0.00 C ATOM 568 CE LYS A 40 10.869 -5.078 6.692 1.00 0.00 C ATOM 569 NZ LYS A 40 11.317 -5.430 8.068 1.00 0.00 N ATOM 0 H LYS A 40 10.029 -1.143 3.294 1.00 0.00 H new ATOM 0 HA LYS A 40 10.190 -3.481 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.990 -4.479 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.586 -2.833 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.894 -2.073 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.128 -3.650 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.044 -3.366 6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.786 -3.027 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.828 -5.374 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.454 -5.641 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.205 -6.453 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.317 -5.171 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.742 -4.912 8.763 1.00 0.00 H new ATOM 583 N LEU A 41 7.469 -3.297 3.636 1.00 0.00 N ATOM 584 CA LEU A 41 6.178 -3.926 3.892 1.00 0.00 C ATOM 585 C LEU A 41 5.315 -3.926 2.635 1.00 0.00 C ATOM 586 O LEU A 41 4.584 -4.881 2.371 1.00 0.00 O ATOM 587 CB LEU A 41 5.450 -3.200 5.024 1.00 0.00 C ATOM 588 CG LEU A 41 4.188 -3.880 5.556 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.544 -4.918 6.609 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.225 -2.849 6.124 1.00 0.00 C ATOM 0 H LEU A 41 7.560 -2.354 4.013 1.00 0.00 H new ATOM 0 HA LEU A 41 6.357 -4.960 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.146 -3.071 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.182 -2.203 4.676 1.00 0.00 H new ATOM 0 HG LEU A 41 3.696 -4.388 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.633 -5.391 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.194 -5.674 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.060 -4.433 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.333 -3.351 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.707 -2.311 6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.943 -2.144 5.342 1.00 0.00 H new ATOM 602 N VAL A 42 5.405 -2.849 1.860 1.00 0.00 N ATOM 603 CA VAL A 42 4.634 -2.726 0.629 1.00 0.00 C ATOM 604 C VAL A 42 5.169 -3.661 -0.450 1.00 0.00 C ATOM 605 O VAL A 42 4.403 -4.341 -1.133 1.00 0.00 O ATOM 606 CB VAL A 42 4.654 -1.281 0.096 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.741 -1.145 -1.112 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.253 -0.305 1.191 1.00 0.00 C ATOM 0 H VAL A 42 6.005 -2.049 2.064 1.00 0.00 H new ATOM 0 HA VAL A 42 3.607 -3.003 0.870 1.00 0.00 H new ATOM 0 HB VAL A 42 5.670 -1.041 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.768 -0.117 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.079 -1.817 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.721 -1.403 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.272 0.711 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.247 -0.541 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.952 -0.385 2.024 1.00 0.00 H new ATOM 618 N TYR A 43 6.489 -3.691 -0.598 1.00 0.00 N ATOM 619 CA TYR A 43 7.127 -4.542 -1.595 1.00 0.00 C ATOM 620 C TYR A 43 6.750 -6.005 -1.385 1.00 0.00 C ATOM 621 O TYR A 43 6.528 -6.744 -2.344 1.00 0.00 O ATOM 622 CB TYR A 43 8.647 -4.382 -1.535 1.00 0.00 C ATOM 623 CG TYR A 43 9.375 -5.083 -2.660 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.579 -4.451 -3.881 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.857 -6.376 -2.503 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.243 -5.088 -4.912 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.523 -7.019 -3.528 1.00 0.00 C ATOM 628 CZ TYR A 43 10.713 -6.371 -4.730 1.00 0.00 C ATOM 629 OH TYR A 43 11.375 -7.010 -5.754 1.00 0.00 O ATOM 0 H TYR A 43 7.138 -3.136 -0.040 1.00 0.00 H new ATOM 0 HA TYR A 43 6.774 -4.233 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.893 -3.321 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.007 -4.771 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.213 -3.446 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.709 -6.887 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.393 -4.583 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.893 -8.024 -3.389 1.00 0.00 H new ATOM 0 HH TYR A 43 11.641 -7.907 -5.462 1.00 0.00 H new ATOM 639 N GLN A 44 6.679 -6.416 -0.123 1.00 0.00 N ATOM 640 CA GLN A 44 6.329 -7.790 0.215 1.00 0.00 C ATOM 641 C GLN A 44 4.930 -8.134 -0.287 1.00 0.00 C ATOM 642 O GLN A 44 4.699 -9.224 -0.811 1.00 0.00 O ATOM 643 CB GLN A 44 6.408 -8.003 1.727 1.00 0.00 C ATOM 644 CG GLN A 44 7.809 -8.320 2.225 1.00 0.00 C ATOM 645 CD GLN A 44 8.128 -9.801 2.167 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.878 -10.538 3.121 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.683 -10.244 1.046 1.00 0.00 N ATOM 0 H GLN A 44 6.859 -5.817 0.682 1.00 0.00 H new ATOM 0 HA GLN A 44 7.044 -8.451 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.046 -7.107 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.739 -8.817 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.536 -7.772 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.913 -7.970 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.873 -9.597 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.920 -11.231 0.950 1.00 0.00 H new ATOM 656 N ILE A 45 4.001 -7.199 -0.121 1.00 0.00 N ATOM 657 CA ILE A 45 2.626 -7.403 -0.557 1.00 0.00 C ATOM 658 C ILE A 45 2.544 -7.535 -2.075 1.00 0.00 C ATOM 659 O ILE A 45 1.833 -8.395 -2.596 1.00 0.00 O ATOM 660 CB ILE A 45 1.713 -6.248 -0.103 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.754 -6.106 1.419 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.288 -6.480 -0.581 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.209 -4.786 1.917 1.00 0.00 C ATOM 0 H ILE A 45 4.176 -6.292 0.313 1.00 0.00 H new ATOM 0 HA ILE A 45 2.283 -8.329 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 45 2.077 -5.321 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.182 -6.918 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.784 -6.216 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.345 -5.656 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.274 -6.537 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.088 -7.414 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.269 -4.755 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.796 -3.969 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.169 -4.682 1.608 1.00 0.00 H new ATOM 675 N ILE A 46 3.277 -6.678 -2.777 1.00 0.00 N ATOM 676 CA ILE A 46 3.290 -6.700 -4.235 1.00 0.00 C ATOM 677 C ILE A 46 4.008 -7.939 -4.759 1.00 0.00 C ATOM 678 O ILE A 46 3.670 -8.460 -5.822 1.00 0.00 O ATOM 679 CB ILE A 46 3.969 -5.444 -4.811 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.287 -4.181 -4.282 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.935 -5.474 -6.332 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.030 -2.907 -4.620 1.00 0.00 C ATOM 0 H ILE A 46 3.870 -5.960 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 46 2.250 -6.721 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 46 5.011 -5.433 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.279 -4.124 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.187 -4.258 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.419 -4.580 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.462 -6.358 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.900 -5.506 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.490 -2.052 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.030 -2.943 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.107 -2.807 -5.703 1.00 0.00 H new ATOM 694 N GLU A 47 4.998 -8.406 -4.006 1.00 0.00 N ATOM 695 CA GLU A 47 5.763 -9.585 -4.395 1.00 0.00 C ATOM 696 C GLU A 47 4.913 -10.847 -4.280 1.00 0.00 C ATOM 697 O GLU A 47 5.046 -11.772 -5.081 1.00 0.00 O ATOM 698 CB GLU A 47 7.015 -9.718 -3.525 1.00 0.00 C ATOM 699 CG GLU A 47 7.851 -10.945 -3.846 1.00 0.00 C ATOM 700 CD GLU A 47 7.978 -11.890 -2.667 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.492 -11.458 -1.614 1.00 0.00 O ATOM 702 OE2 GLU A 47 7.563 -13.061 -2.797 1.00 0.00 O ATOM 0 H GLU A 47 5.289 -7.986 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 47 6.064 -9.464 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.630 -8.827 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.717 -9.756 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.402 -11.476 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.845 -10.630 -4.163 1.00 0.00 H new ATOM 709 N ASP A 48 4.042 -10.877 -3.278 1.00 0.00 N ATOM 710 CA ASP A 48 3.170 -12.025 -3.057 1.00 0.00 C ATOM 711 C ASP A 48 2.191 -12.194 -4.215 1.00 0.00 C ATOM 712 O ASP A 48 1.718 -13.298 -4.485 1.00 0.00 O ATOM 713 CB ASP A 48 2.403 -11.864 -1.744 1.00 0.00 C ATOM 714 CG ASP A 48 1.800 -13.169 -1.262 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.481 -14.211 -1.366 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.647 -13.149 -0.782 1.00 0.00 O ATOM 0 H ASP A 48 3.921 -10.120 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 48 3.793 -12.918 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.075 -11.473 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.610 -11.128 -1.878 1.00 0.00 H new ATOM 721 N ALA A 49 1.891 -11.092 -4.895 1.00 0.00 N ATOM 722 CA ALA A 49 0.969 -11.119 -6.024 1.00 0.00 C ATOM 723 C ALA A 49 1.655 -11.645 -7.280 1.00 0.00 C ATOM 724 O ALA A 49 1.018 -12.255 -8.138 1.00 0.00 O ATOM 725 CB ALA A 49 0.400 -9.730 -6.273 1.00 0.00 C ATOM 0 H ALA A 49 2.273 -10.170 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 49 0.151 -11.796 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.287 -9.764 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.134 -9.391 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.213 -9.038 -6.494 1.00 0.00 H new ATOM 731 N GLY A 50 2.958 -11.403 -7.383 1.00 0.00 N ATOM 732 CA GLY A 50 3.709 -11.859 -8.539 1.00 0.00 C ATOM 733 C GLY A 50 3.077 -11.427 -9.847 1.00 0.00 C ATOM 734 O GLY A 50 2.890 -10.235 -10.091 1.00 0.00 O ATOM 0 H GLY A 50 3.507 -10.899 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.726 -11.470 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.782 -12.946 -8.516 1.00 0.00 H new ATOM 738 N ASN A 51 2.748 -12.398 -10.693 1.00 0.00 N ATOM 739 CA ASN A 51 2.135 -12.112 -11.985 1.00 0.00 C ATOM 740 C ASN A 51 0.730 -11.543 -11.807 1.00 0.00 C ATOM 741 O ASN A 51 0.323 -10.629 -12.524 1.00 0.00 O ATOM 742 CB ASN A 51 2.079 -13.380 -12.839 1.00 0.00 C ATOM 743 CG ASN A 51 3.414 -14.097 -12.896 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.472 -13.470 -12.830 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.371 -15.419 -13.020 1.00 0.00 N ATOM 0 H ASN A 51 2.896 -13.390 -10.507 1.00 0.00 H new ATOM 0 HA ASN A 51 2.748 -11.367 -12.492 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.324 -14.054 -12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.765 -13.120 -13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.237 -15.956 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.472 -15.897 -13.071 1.00 0.00 H new ATOM 752 N LYS A 52 -0.006 -12.090 -10.846 1.00 0.00 N ATOM 753 CA LYS A 52 -1.364 -11.637 -10.570 1.00 0.00 C ATOM 754 C LYS A 52 -1.387 -10.145 -10.256 1.00 0.00 C ATOM 755 O LYS A 52 -2.365 -9.455 -10.544 1.00 0.00 O ATOM 756 CB LYS A 52 -1.959 -12.424 -9.401 1.00 0.00 C ATOM 757 CG LYS A 52 -1.833 -13.930 -9.555 1.00 0.00 C ATOM 758 CD LYS A 52 -3.195 -14.601 -9.613 1.00 0.00 C ATOM 759 CE LYS A 52 -3.625 -14.865 -11.048 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.012 -13.610 -11.751 1.00 0.00 N ATOM 0 H LYS A 52 0.315 -12.848 -10.245 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.966 -11.812 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.464 -12.119 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.013 -12.165 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.275 -14.158 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.262 -14.335 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.162 -15.541 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.934 -13.969 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.810 -15.348 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.466 -15.558 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.868 -13.779 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.201 -12.864 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.237 -13.309 -12.376 1.00 0.00 H new ATOM 774 N GLY A 53 -0.303 -9.652 -9.666 1.00 0.00 N ATOM 775 CA GLY A 53 -0.219 -8.244 -9.324 1.00 0.00 C ATOM 776 C GLY A 53 -1.220 -7.846 -8.257 1.00 0.00 C ATOM 777 O GLY A 53 -2.215 -8.538 -8.041 1.00 0.00 O ATOM 0 H GLY A 53 0.519 -10.203 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.789 -8.017 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.389 -7.645 -10.219 1.00 0.00 H new ATOM 781 N ILE A 54 -0.956 -6.728 -7.588 1.00 0.00 N ATOM 782 CA ILE A 54 -1.842 -6.240 -6.538 1.00 0.00 C ATOM 783 C ILE A 54 -2.321 -4.824 -6.838 1.00 0.00 C ATOM 784 O ILE A 54 -1.534 -3.961 -7.228 1.00 0.00 O ATOM 785 CB ILE A 54 -1.147 -6.256 -5.164 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.154 -5.939 -4.056 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.004 -5.261 -5.141 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.209 -6.992 -2.972 1.00 0.00 C ATOM 0 H ILE A 54 -0.137 -6.144 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.700 -6.912 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.743 -7.253 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.898 -4.979 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.145 -5.830 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.485 -5.284 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.730 -5.527 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.378 -4.258 -5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.943 -6.702 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.495 -7.949 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.229 -7.085 -2.505 1.00 0.00 H new ATOM 800 N TRP A 55 -3.614 -4.591 -6.650 1.00 0.00 N ATOM 801 CA TRP A 55 -4.198 -3.278 -6.899 1.00 0.00 C ATOM 802 C TRP A 55 -3.815 -2.295 -5.798 1.00 0.00 C ATOM 803 O TRP A 55 -3.638 -2.680 -4.643 1.00 0.00 O ATOM 804 CB TRP A 55 -5.721 -3.384 -6.997 1.00 0.00 C ATOM 805 CG TRP A 55 -6.183 -4.288 -8.100 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.324 -5.645 -8.043 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.563 -3.899 -9.424 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.768 -6.123 -9.252 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.924 -5.072 -10.116 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.636 -2.674 -10.093 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.348 -5.053 -11.442 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.057 -2.657 -11.409 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.410 -3.840 -12.072 1.00 0.00 C ATOM 0 H TRP A 55 -4.279 -5.294 -6.326 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.805 -2.907 -7.846 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.115 -3.749 -6.048 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.138 -2.389 -7.153 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.117 -6.253 -7.175 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.952 -7.102 -9.471 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.368 -1.757 -9.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.619 -5.964 -11.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.115 -1.716 -11.936 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.737 -3.793 -13.100 1.00 0.00 H new ATOM 824 N SER A 56 -3.690 -1.023 -6.164 1.00 0.00 N ATOM 825 CA SER A 56 -3.324 0.015 -5.207 1.00 0.00 C ATOM 826 C SER A 56 -4.259 -0.004 -4.001 1.00 0.00 C ATOM 827 O SER A 56 -3.871 0.373 -2.895 1.00 0.00 O ATOM 828 CB SER A 56 -3.364 1.391 -5.875 1.00 0.00 C ATOM 829 OG SER A 56 -3.633 2.410 -4.928 1.00 0.00 O ATOM 0 H SER A 56 -3.837 -0.687 -7.116 1.00 0.00 H new ATOM 0 HA SER A 56 -2.309 -0.185 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.411 1.588 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.130 1.400 -6.651 1.00 0.00 H new ATOM 0 HG SER A 56 -3.652 3.280 -5.380 1.00 0.00 H new ATOM 835 N ARG A 57 -5.492 -0.447 -4.223 1.00 0.00 N ATOM 836 CA ARG A 57 -6.483 -0.515 -3.156 1.00 0.00 C ATOM 837 C ARG A 57 -6.237 -1.728 -2.262 1.00 0.00 C ATOM 838 O ARG A 57 -6.506 -1.691 -1.061 1.00 0.00 O ATOM 839 CB ARG A 57 -7.893 -0.580 -3.744 1.00 0.00 C ATOM 840 CG ARG A 57 -8.994 -0.494 -2.699 1.00 0.00 C ATOM 841 CD ARG A 57 -10.370 -0.437 -3.343 1.00 0.00 C ATOM 842 NE ARG A 57 -11.441 -0.570 -2.358 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.695 -0.877 -2.673 1.00 0.00 C ATOM 844 NH1 ARG A 57 -13.033 -1.081 -3.938 1.00 0.00 N ATOM 845 NH2 ARG A 57 -13.613 -0.980 -1.720 1.00 0.00 N ATOM 0 H ARG A 57 -5.829 -0.764 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.390 0.387 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.017 0.234 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.003 -1.511 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.937 -1.358 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.843 0.392 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.482 0.507 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.457 -1.232 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.214 -0.419 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.330 -1.003 -4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.996 -1.317 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.356 -0.823 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.575 -1.216 -1.962 1.00 0.00 H new ATOM 859 N ASP A 58 -5.725 -2.800 -2.856 1.00 0.00 N ATOM 860 CA ASP A 58 -5.443 -4.023 -2.114 1.00 0.00 C ATOM 861 C ASP A 58 -4.215 -3.849 -1.226 1.00 0.00 C ATOM 862 O ASP A 58 -4.296 -3.978 -0.004 1.00 0.00 O ATOM 863 CB ASP A 58 -5.229 -5.192 -3.078 1.00 0.00 C ATOM 864 CG ASP A 58 -6.524 -5.897 -3.429 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.203 -5.451 -4.377 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.859 -6.894 -2.755 1.00 0.00 O ATOM 0 H ASP A 58 -5.497 -2.847 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.301 -4.239 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.759 -4.825 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.539 -5.907 -2.630 1.00 0.00 H new ATOM 871 N VAL A 59 -3.077 -3.556 -1.849 1.00 0.00 N ATOM 872 CA VAL A 59 -1.832 -3.364 -1.115 1.00 0.00 C ATOM 873 C VAL A 59 -2.008 -2.352 0.012 1.00 0.00 C ATOM 874 O VAL A 59 -1.331 -2.425 1.037 1.00 0.00 O ATOM 875 CB VAL A 59 -0.700 -2.888 -2.046 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.108 -1.616 -2.775 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.582 -2.672 -1.257 1.00 0.00 C ATOM 0 H VAL A 59 -2.992 -3.447 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.562 -4.331 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.515 -3.662 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.296 -1.295 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.999 -1.809 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.321 -0.832 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.371 -2.336 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.414 -1.917 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.881 -3.608 -0.786 1.00 0.00 H new ATOM 887 N ARG A 60 -2.923 -1.408 -0.186 1.00 0.00 N ATOM 888 CA ARG A 60 -3.188 -0.380 0.814 1.00 0.00 C ATOM 889 C ARG A 60 -3.949 -0.961 2.002 1.00 0.00 C ATOM 890 O ARG A 60 -3.679 -0.616 3.153 1.00 0.00 O ATOM 891 CB ARG A 60 -3.987 0.768 0.195 1.00 0.00 C ATOM 892 CG ARG A 60 -4.200 1.940 1.140 1.00 0.00 C ATOM 893 CD ARG A 60 -5.461 2.715 0.791 1.00 0.00 C ATOM 894 NE ARG A 60 -6.626 2.221 1.521 1.00 0.00 N ATOM 895 CZ ARG A 60 -6.844 2.465 2.808 1.00 0.00 C ATOM 896 NH1 ARG A 60 -5.981 3.192 3.504 1.00 0.00 N ATOM 897 NH2 ARG A 60 -7.927 1.981 3.402 1.00 0.00 N ATOM 0 H ARG A 60 -3.493 -1.334 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.231 0.002 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.469 1.121 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.958 0.391 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.268 1.575 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.338 2.606 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.312 3.771 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.647 2.642 -0.281 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.309 1.658 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.147 3.566 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.151 3.378 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.593 1.421 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.094 2.169 4.391 1.00 0.00 H new ATOM 911 N TYR A 61 -4.899 -1.843 1.715 1.00 0.00 N ATOM 912 CA TYR A 61 -5.701 -2.470 2.760 1.00 0.00 C ATOM 913 C TYR A 61 -4.853 -3.419 3.602 1.00 0.00 C ATOM 914 O TYR A 61 -4.872 -3.363 4.831 1.00 0.00 O ATOM 915 CB TYR A 61 -6.877 -3.229 2.143 1.00 0.00 C ATOM 916 CG TYR A 61 -8.148 -3.141 2.957 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.690 -1.909 3.303 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.808 -4.288 3.379 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.851 -1.823 4.047 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.970 -4.212 4.122 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.487 -2.977 4.453 1.00 0.00 C ATOM 922 OH TYR A 61 -11.644 -2.897 5.194 1.00 0.00 O ATOM 0 H TYR A 61 -5.133 -2.140 0.768 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.086 -1.683 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.067 -2.837 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.601 -4.277 2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.195 -1.003 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.405 -5.257 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.258 -0.858 4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.471 -5.114 4.442 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.965 -3.800 5.397 1.00 0.00 H new ATOM 932 N LYS A 62 -4.109 -4.290 2.929 1.00 0.00 N ATOM 933 CA LYS A 62 -3.251 -5.252 3.612 1.00 0.00 C ATOM 934 C LYS A 62 -2.148 -4.541 4.389 1.00 0.00 C ATOM 935 O LYS A 62 -1.708 -5.016 5.436 1.00 0.00 O ATOM 936 CB LYS A 62 -2.635 -6.224 2.603 1.00 0.00 C ATOM 937 CG LYS A 62 -3.660 -6.914 1.720 1.00 0.00 C ATOM 938 CD LYS A 62 -2.997 -7.649 0.567 1.00 0.00 C ATOM 939 CE LYS A 62 -3.209 -9.152 0.669 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.539 -9.562 0.137 1.00 0.00 N ATOM 0 H LYS A 62 -4.083 -4.350 1.911 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.865 -5.812 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.931 -5.682 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.064 -6.980 3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.240 -7.618 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.360 -6.176 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.402 -7.287 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.929 -7.431 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.423 -9.668 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.124 -9.461 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.645 -10.593 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.290 -9.090 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.611 -9.290 -0.864 1.00 0.00 H new ATOM 954 N SER A 63 -1.705 -3.401 3.870 1.00 0.00 N ATOM 955 CA SER A 63 -0.651 -2.626 4.514 1.00 0.00 C ATOM 956 C SER A 63 -1.222 -1.752 5.627 1.00 0.00 C ATOM 957 O SER A 63 -0.511 -1.366 6.554 1.00 0.00 O ATOM 958 CB SER A 63 0.071 -1.754 3.485 1.00 0.00 C ATOM 959 OG SER A 63 1.256 -1.199 4.029 1.00 0.00 O ATOM 0 H SER A 63 -2.060 -2.993 3.005 1.00 0.00 H new ATOM 0 HA SER A 63 0.062 -3.323 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.315 -2.350 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.591 -0.954 3.154 1.00 0.00 H new ATOM 0 HG SER A 63 1.780 -0.782 3.314 1.00 0.00 H new ATOM 965 N ASN A 64 -2.511 -1.444 5.527 1.00 0.00 N ATOM 966 CA ASN A 64 -3.178 -0.616 6.524 1.00 0.00 C ATOM 967 C ASN A 64 -2.579 0.787 6.555 1.00 0.00 C ATOM 968 O ASN A 64 -2.558 1.442 7.598 1.00 0.00 O ATOM 969 CB ASN A 64 -3.070 -1.260 7.908 1.00 0.00 C ATOM 970 CG ASN A 64 -4.282 -0.976 8.774 1.00 0.00 C ATOM 971 OD1 ASN A 64 -5.254 -1.731 8.768 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.229 0.118 9.525 1.00 0.00 N ATOM 0 H ASN A 64 -3.114 -1.756 4.766 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.230 -0.537 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.951 -2.338 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.175 -0.891 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.015 0.361 10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.403 0.715 9.498 1.00 0.00 H new ATOM 979 N LEU A 65 -2.093 1.242 5.406 1.00 0.00 N ATOM 980 CA LEU A 65 -1.493 2.568 5.300 1.00 0.00 C ATOM 981 C LEU A 65 -2.385 3.506 4.493 1.00 0.00 C ATOM 982 O LEU A 65 -3.032 3.107 3.524 1.00 0.00 O ATOM 983 CB LEU A 65 -0.112 2.474 4.651 1.00 0.00 C ATOM 984 CG LEU A 65 0.909 1.589 5.368 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.258 1.657 4.670 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.039 2.001 6.827 1.00 0.00 C ATOM 0 H LEU A 65 -2.102 0.713 4.534 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.387 2.974 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.235 2.101 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.300 3.480 4.574 1.00 0.00 H new ATOM 0 HG LEU A 65 0.557 0.558 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.971 1.021 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.153 1.313 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.618 2.686 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.769 1.361 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.368 3.039 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.073 1.899 7.321 1.00 0.00 H new ATOM 998 N PRO A 66 -2.420 4.784 4.898 1.00 0.00 N ATOM 999 CA PRO A 66 -3.226 5.807 4.225 1.00 0.00 C ATOM 1000 C PRO A 66 -2.682 6.157 2.844 1.00 0.00 C ATOM 1001 O PRO A 66 -1.490 6.000 2.576 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.124 7.013 5.161 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.841 6.817 5.893 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.674 5.330 6.045 1.00 0.00 C ATOM 0 HA PRO A 66 -4.248 5.471 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.122 7.949 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.969 7.054 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.007 7.249 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.868 7.308 6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.624 5.039 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.078 4.975 6.993 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.563 6.633 1.970 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.170 7.006 0.616 1.00 0.00 C ATOM 1014 C LEU A 67 -1.987 7.969 0.637 1.00 0.00 C ATOM 1015 O LEU A 67 -1.075 7.868 -0.184 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.350 7.646 -0.120 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.007 8.838 0.575 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.552 10.143 -0.059 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.523 8.717 0.522 1.00 0.00 C ATOM 0 H LEU A 67 -4.553 6.769 2.175 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.868 6.101 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.008 7.968 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.110 6.881 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.699 8.839 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.030 10.980 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.470 10.234 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.830 10.152 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.974 9.574 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.850 8.690 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.833 7.800 1.024 1.00 0.00 H new ATOM 1031 N THR A 68 -2.007 8.902 1.584 1.00 0.00 N ATOM 1032 CA THR A 68 -0.937 9.883 1.713 1.00 0.00 C ATOM 1033 C THR A 68 0.420 9.201 1.845 1.00 0.00 C ATOM 1034 O THR A 68 1.450 9.776 1.495 1.00 0.00 O ATOM 1035 CB THR A 68 -1.159 10.799 2.931 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.026 11.656 3.112 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.387 9.978 4.192 1.00 0.00 C ATOM 0 H THR A 68 -2.753 8.999 2.273 1.00 0.00 H new ATOM 0 HA THR A 68 -0.951 10.487 0.806 1.00 0.00 H new ATOM 0 HB THR A 68 -2.046 11.404 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.175 12.236 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.541 10.647 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.267 9.348 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.516 9.350 4.380 1.00 0.00 H new ATOM 1045 N GLU A 69 0.413 7.971 2.352 1.00 0.00 N ATOM 1046 CA GLU A 69 1.645 7.212 2.530 1.00 0.00 C ATOM 1047 C GLU A 69 1.927 6.340 1.309 1.00 0.00 C ATOM 1048 O GLU A 69 2.961 6.485 0.656 1.00 0.00 O ATOM 1049 CB GLU A 69 1.556 6.340 3.783 1.00 0.00 C ATOM 1050 CG GLU A 69 1.629 7.128 5.080 1.00 0.00 C ATOM 1051 CD GLU A 69 3.050 7.288 5.586 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.956 7.495 4.752 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.255 7.207 6.815 1.00 0.00 O ATOM 0 H GLU A 69 -0.431 7.480 2.646 1.00 0.00 H new ATOM 0 HA GLU A 69 2.465 7.921 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.621 5.780 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.365 5.610 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.188 8.113 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.031 6.626 5.840 1.00 0.00 H new ATOM 1060 N ILE A 70 1.002 5.436 1.009 1.00 0.00 N ATOM 1061 CA ILE A 70 1.150 4.541 -0.133 1.00 0.00 C ATOM 1062 C ILE A 70 1.467 5.321 -1.404 1.00 0.00 C ATOM 1063 O ILE A 70 2.162 4.826 -2.291 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.121 3.703 -0.361 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.433 2.861 0.879 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.042 2.814 -1.584 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.625 1.825 1.186 1.00 0.00 C ATOM 0 H ILE A 70 0.142 5.303 1.540 1.00 0.00 H new ATOM 0 HA ILE A 70 1.979 3.871 0.096 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.957 4.380 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.544 3.522 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.391 2.360 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.865 2.228 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.221 3.433 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.888 2.142 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.339 1.266 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.720 1.141 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.580 2.321 1.360 1.00 0.00 H new ATOM 1079 N ASN A 71 0.952 6.543 -1.486 1.00 0.00 N ATOM 1080 CA ASN A 71 1.181 7.393 -2.649 1.00 0.00 C ATOM 1081 C ASN A 71 2.674 7.610 -2.879 1.00 0.00 C ATOM 1082 O ASN A 71 3.154 7.548 -4.011 1.00 0.00 O ATOM 1083 CB ASN A 71 0.481 8.741 -2.468 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.968 8.705 -2.916 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.482 7.658 -3.309 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.633 9.853 -2.859 1.00 0.00 N ATOM 0 H ASN A 71 0.373 6.967 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 71 0.766 6.890 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.527 9.033 -1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.015 9.504 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.610 9.891 -3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.166 10.697 -2.526 1.00 0.00 H new ATOM 1093 N LYS A 72 3.403 7.864 -1.798 1.00 0.00 N ATOM 1094 CA LYS A 72 4.841 8.088 -1.880 1.00 0.00 C ATOM 1095 C LYS A 72 5.593 6.765 -1.984 1.00 0.00 C ATOM 1096 O LYS A 72 6.613 6.672 -2.668 1.00 0.00 O ATOM 1097 CB LYS A 72 5.327 8.868 -0.656 1.00 0.00 C ATOM 1098 CG LYS A 72 6.839 8.991 -0.574 1.00 0.00 C ATOM 1099 CD LYS A 72 7.273 9.673 0.712 1.00 0.00 C ATOM 1100 CE LYS A 72 7.915 8.688 1.677 1.00 0.00 C ATOM 1101 NZ LYS A 72 9.220 8.184 1.168 1.00 0.00 N ATOM 0 H LYS A 72 3.021 7.920 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 72 5.042 8.671 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.890 9.866 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.961 8.377 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.289 8.000 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.206 9.558 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.979 10.471 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.410 10.139 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.064 9.171 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.240 7.848 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.144 7.166 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.472 8.692 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.956 8.341 1.885 1.00 0.00 H new ATOM 1115 N ILE A 73 5.082 5.744 -1.304 1.00 0.00 N ATOM 1116 CA ILE A 73 5.704 4.426 -1.323 1.00 0.00 C ATOM 1117 C ILE A 73 5.667 3.821 -2.722 1.00 0.00 C ATOM 1118 O ILE A 73 6.707 3.504 -3.302 1.00 0.00 O ATOM 1119 CB ILE A 73 5.013 3.463 -0.341 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.057 4.030 1.080 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.672 2.092 -0.390 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.095 3.353 2.031 1.00 0.00 C ATOM 0 H ILE A 73 4.239 5.804 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 73 6.741 4.562 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 73 3.970 3.354 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.070 3.932 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.831 5.096 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.172 1.423 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.594 1.686 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.723 2.184 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.181 3.806 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.076 3.473 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.334 2.292 2.096 1.00 0.00 H new ATOM 1134 N LEU A 74 4.463 3.664 -3.261 1.00 0.00 N ATOM 1135 CA LEU A 74 4.289 3.098 -4.594 1.00 0.00 C ATOM 1136 C LEU A 74 5.155 3.831 -5.614 1.00 0.00 C ATOM 1137 O LEU A 74 5.647 3.232 -6.571 1.00 0.00 O ATOM 1138 CB LEU A 74 2.819 3.170 -5.012 1.00 0.00 C ATOM 1139 CG LEU A 74 1.921 2.042 -4.503 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.475 2.287 -4.907 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.403 0.698 -5.029 1.00 0.00 C ATOM 0 H LEU A 74 3.593 3.921 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 74 4.601 2.054 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.409 4.118 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.772 3.182 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 74 1.975 2.024 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.149 1.474 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.133 3.230 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.404 2.332 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.752 -0.093 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.380 0.704 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.423 0.519 -4.689 1.00 0.00 H new ATOM 1153 N LYS A 75 5.341 5.129 -5.401 1.00 0.00 N ATOM 1154 CA LYS A 75 6.151 5.944 -6.299 1.00 0.00 C ATOM 1155 C LYS A 75 7.637 5.761 -6.007 1.00 0.00 C ATOM 1156 O LYS A 75 8.473 5.870 -6.903 1.00 0.00 O ATOM 1157 CB LYS A 75 5.772 7.420 -6.163 1.00 0.00 C ATOM 1158 CG LYS A 75 5.624 8.135 -7.495 1.00 0.00 C ATOM 1159 CD LYS A 75 4.189 8.091 -7.995 1.00 0.00 C ATOM 1160 CE LYS A 75 3.771 9.420 -8.606 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.295 9.512 -8.775 1.00 0.00 N ATOM 0 H LYS A 75 4.941 5.640 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 75 5.956 5.618 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.834 7.496 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.532 7.928 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.942 9.172 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.281 7.673 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.085 7.299 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.522 7.843 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.115 10.236 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.256 9.543 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.050 10.432 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.969 8.748 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.833 9.420 -7.848 1.00 0.00 H new ATOM 1175 N ASN A 76 7.958 5.480 -4.749 1.00 0.00 N ATOM 1176 CA ASN A 76 9.344 5.281 -4.340 1.00 0.00 C ATOM 1177 C ASN A 76 9.953 4.076 -5.050 1.00 0.00 C ATOM 1178 O ASN A 76 10.938 4.203 -5.778 1.00 0.00 O ATOM 1179 CB ASN A 76 9.428 5.090 -2.824 1.00 0.00 C ATOM 1180 CG ASN A 76 10.513 5.941 -2.193 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.695 5.791 -2.504 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.115 6.842 -1.302 1.00 0.00 N ATOM 0 H ASN A 76 7.278 5.385 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 76 9.910 6.169 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.467 5.340 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.619 4.040 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.800 7.444 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.125 6.932 -1.075 1.00 0.00 H new ATOM 1189 N LEU A 77 9.360 2.907 -4.833 1.00 0.00 N ATOM 1190 CA LEU A 77 9.843 1.677 -5.452 1.00 0.00 C ATOM 1191 C LEU A 77 9.989 1.849 -6.961 1.00 0.00 C ATOM 1192 O LEU A 77 10.924 1.326 -7.566 1.00 0.00 O ATOM 1193 CB LEU A 77 8.888 0.521 -5.149 1.00 0.00 C ATOM 1194 CG LEU A 77 9.079 -0.170 -3.798 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.853 -0.997 -3.443 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.326 -1.042 -3.817 1.00 0.00 C ATOM 0 H LEU A 77 8.544 2.785 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 77 10.823 1.449 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.866 0.897 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.993 -0.227 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 77 9.208 0.597 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.007 -1.481 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.980 -0.347 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.692 -1.756 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.446 -1.526 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.227 -1.802 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.199 -0.424 -4.025 1.00 0.00 H new ATOM 1208 N GLU A 78 9.059 2.586 -7.560 1.00 0.00 N ATOM 1209 CA GLU A 78 9.086 2.827 -8.998 1.00 0.00 C ATOM 1210 C GLU A 78 10.407 3.467 -9.418 1.00 0.00 C ATOM 1211 O GLU A 78 11.123 2.938 -10.267 1.00 0.00 O ATOM 1212 CB GLU A 78 7.918 3.726 -9.409 1.00 0.00 C ATOM 1213 CG GLU A 78 7.440 3.491 -10.832 1.00 0.00 C ATOM 1214 CD GLU A 78 7.257 4.781 -11.607 1.00 0.00 C ATOM 1215 OE1 GLU A 78 6.707 5.744 -11.033 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.663 4.828 -12.787 1.00 0.00 O ATOM 0 H GLU A 78 8.278 3.026 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 78 8.991 1.866 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.086 3.563 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.218 4.768 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.158 2.858 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.495 2.948 -10.809 1.00 0.00 H new ATOM 1223 N SER A 79 10.721 4.610 -8.816 1.00 0.00 N ATOM 1224 CA SER A 79 11.953 5.325 -9.130 1.00 0.00 C ATOM 1225 C SER A 79 13.170 4.432 -8.910 1.00 0.00 C ATOM 1226 O SER A 79 14.151 4.506 -9.651 1.00 0.00 O ATOM 1227 CB SER A 79 12.069 6.585 -8.271 1.00 0.00 C ATOM 1228 OG SER A 79 12.728 7.623 -8.974 1.00 0.00 O ATOM 0 H SER A 79 10.140 5.060 -8.109 1.00 0.00 H new ATOM 0 HA SER A 79 11.920 5.612 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.075 6.918 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.617 6.356 -7.357 1.00 0.00 H new ATOM 0 HG SER A 79 12.788 8.418 -8.404 1.00 0.00 H new ATOM 1234 N LYS A 80 13.100 3.588 -7.887 1.00 0.00 N ATOM 1235 CA LYS A 80 14.194 2.679 -7.568 1.00 0.00 C ATOM 1236 C LYS A 80 14.351 1.615 -8.650 1.00 0.00 C ATOM 1237 O LYS A 80 15.353 0.900 -8.693 1.00 0.00 O ATOM 1238 CB LYS A 80 13.951 2.011 -6.213 1.00 0.00 C ATOM 1239 CG LYS A 80 13.531 2.982 -5.123 1.00 0.00 C ATOM 1240 CD LYS A 80 14.395 2.834 -3.881 1.00 0.00 C ATOM 1241 CE LYS A 80 13.573 2.983 -2.610 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.731 1.783 -2.350 1.00 0.00 N ATOM 0 H LYS A 80 12.296 3.514 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 80 15.114 3.261 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.180 1.249 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.861 1.499 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.602 4.003 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.487 2.809 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.881 1.859 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.185 3.584 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.240 3.149 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.935 3.863 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.042 1.998 -1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.226 1.518 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.336 0.993 -2.047 1.00 0.00 H new ATOM 1256 N LYS A 81 13.355 1.516 -9.524 1.00 0.00 N ATOM 1257 CA LYS A 81 13.383 0.541 -10.609 1.00 0.00 C ATOM 1258 C LYS A 81 13.382 -0.882 -10.061 1.00 0.00 C ATOM 1259 O LYS A 81 13.992 -1.782 -10.641 1.00 0.00 O ATOM 1260 CB LYS A 81 14.616 0.760 -11.487 1.00 0.00 C ATOM 1261 CG LYS A 81 14.452 0.243 -12.906 1.00 0.00 C ATOM 1262 CD LYS A 81 15.498 0.830 -13.838 1.00 0.00 C ATOM 1263 CE LYS A 81 15.003 0.873 -15.276 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.046 0.414 -16.235 1.00 0.00 N ATOM 0 H LYS A 81 12.518 2.099 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 81 12.486 0.680 -11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.842 1.826 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.472 0.267 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.530 -0.844 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.456 0.492 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.754 1.837 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.410 0.235 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.118 0.245 -15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.702 1.890 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.670 0.458 -17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.882 1.029 -16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.315 -0.566 -16.012 1.00 0.00 H new ATOM 1278 N LEU A 82 12.692 -1.081 -8.943 1.00 0.00 N ATOM 1279 CA LEU A 82 12.611 -2.396 -8.318 1.00 0.00 C ATOM 1280 C LEU A 82 11.303 -3.092 -8.682 1.00 0.00 C ATOM 1281 O LEU A 82 11.223 -4.321 -8.686 1.00 0.00 O ATOM 1282 CB LEU A 82 12.728 -2.269 -6.798 1.00 0.00 C ATOM 1283 CG LEU A 82 14.130 -1.995 -6.254 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.097 -1.851 -4.740 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.088 -3.104 -6.665 1.00 0.00 C ATOM 0 H LEU A 82 12.181 -0.348 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 82 13.439 -2.999 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.069 -1.466 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.358 -3.190 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 82 14.487 -1.057 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.104 -1.656 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.444 -1.022 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.719 -2.772 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.081 -2.892 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.735 -4.056 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.135 -3.159 -7.753 1.00 0.00 H new ATOM 1297 N ILE A 83 10.282 -2.299 -8.989 1.00 0.00 N ATOM 1298 CA ILE A 83 8.980 -2.839 -9.357 1.00 0.00 C ATOM 1299 C ILE A 83 8.543 -2.333 -10.728 1.00 0.00 C ATOM 1300 O ILE A 83 9.212 -1.497 -11.336 1.00 0.00 O ATOM 1301 CB ILE A 83 7.903 -2.469 -8.319 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.771 -0.949 -8.209 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.241 -3.077 -6.966 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.697 -0.505 -7.241 1.00 0.00 C ATOM 0 H ILE A 83 10.332 -1.280 -8.990 1.00 0.00 H new ATOM 0 HA ILE A 83 9.086 -3.923 -9.389 1.00 0.00 H new ATOM 0 HB ILE A 83 6.946 -2.875 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.727 -0.531 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.552 -0.539 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.471 -2.807 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.289 -4.162 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.205 -2.698 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.659 0.584 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.732 -0.893 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.925 -0.885 -6.245 1.00 0.00 H new ATOM 1316 N LYS A 84 7.415 -2.845 -11.209 1.00 0.00 N ATOM 1317 CA LYS A 84 6.886 -2.445 -12.507 1.00 0.00 C ATOM 1318 C LYS A 84 5.376 -2.239 -12.439 1.00 0.00 C ATOM 1319 O LYS A 84 4.628 -3.165 -12.125 1.00 0.00 O ATOM 1320 CB LYS A 84 7.220 -3.499 -13.565 1.00 0.00 C ATOM 1321 CG LYS A 84 6.683 -4.882 -13.237 1.00 0.00 C ATOM 1322 CD LYS A 84 7.354 -5.954 -14.078 1.00 0.00 C ATOM 1323 CE LYS A 84 6.460 -6.403 -15.225 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.213 -7.195 -16.237 1.00 0.00 N ATOM 0 H LYS A 84 6.850 -3.538 -10.719 1.00 0.00 H new ATOM 0 HA LYS A 84 7.352 -1.500 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.815 -3.179 -14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.302 -3.556 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.843 -5.094 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.607 -4.905 -13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.294 -5.571 -14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.600 -6.810 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.639 -7.002 -14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.017 -5.530 -15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.570 -7.482 -17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.981 -6.615 -16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.615 -8.042 -15.786 1.00 0.00 H new ATOM 1338 N ALA A 85 4.935 -1.022 -12.737 1.00 0.00 N ATOM 1339 CA ALA A 85 3.514 -0.696 -12.712 1.00 0.00 C ATOM 1340 C ALA A 85 2.804 -1.247 -13.944 1.00 0.00 C ATOM 1341 O ALA A 85 3.354 -1.241 -15.045 1.00 0.00 O ATOM 1342 CB ALA A 85 3.319 0.809 -12.617 1.00 0.00 C ATOM 0 H ALA A 85 5.541 -0.245 -12.999 1.00 0.00 H new ATOM 0 HA ALA A 85 3.074 -1.164 -11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.253 1.037 -12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.785 1.179 -11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.779 1.291 -13.480 1.00 0.00 H new ATOM 1348 N VAL A 86 1.578 -1.725 -13.751 1.00 0.00 N ATOM 1349 CA VAL A 86 0.792 -2.279 -14.846 1.00 0.00 C ATOM 1350 C VAL A 86 -0.610 -1.681 -14.875 1.00 0.00 C ATOM 1351 O VAL A 86 -1.394 -1.863 -13.943 1.00 0.00 O ATOM 1352 CB VAL A 86 0.682 -3.812 -14.738 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.989 -4.472 -15.152 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.293 -4.220 -13.325 1.00 0.00 C ATOM 0 H VAL A 86 1.108 -1.739 -12.846 1.00 0.00 H new ATOM 0 HA VAL A 86 1.312 -2.023 -15.769 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.100 -4.151 -15.418 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.892 -5.555 -15.069 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.220 -4.206 -16.184 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.792 -4.129 -14.500 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.220 -5.306 -13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.050 -3.869 -12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.670 -3.777 -13.071 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.920 -0.966 -15.951 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.228 -0.340 -16.104 1.00 0.00 C ATOM 1366 C LYS A 87 -3.240 -1.329 -16.675 1.00 0.00 C ATOM 1367 O LYS A 87 -2.935 -2.076 -17.604 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.127 0.886 -17.014 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.752 0.551 -18.447 1.00 0.00 C ATOM 1370 CD LYS A 87 -0.541 1.345 -18.907 1.00 0.00 C ATOM 1371 CE LYS A 87 0.049 0.770 -20.185 1.00 0.00 C ATOM 1372 NZ LYS A 87 0.688 -0.556 -19.954 1.00 0.00 N ATOM 0 H LYS A 87 -0.282 -0.805 -16.731 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.570 -0.025 -15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.083 1.410 -17.011 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.386 1.572 -16.604 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.542 -0.515 -18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.596 0.761 -19.104 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.827 2.384 -19.072 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.216 1.344 -18.123 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.736 0.669 -20.934 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.787 1.463 -20.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.317 -0.782 -20.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.242 -0.526 -19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.048 -1.287 -19.875 1.00 0.00 H new ATOM 1386 N SER A 88 -4.445 -1.325 -16.115 1.00 0.00 N ATOM 1387 CA SER A 88 -5.501 -2.223 -16.568 1.00 0.00 C ATOM 1388 C SER A 88 -6.629 -1.442 -17.235 1.00 0.00 C ATOM 1389 O SER A 88 -6.884 -0.286 -16.897 1.00 0.00 O ATOM 1390 CB SER A 88 -6.052 -3.031 -15.391 1.00 0.00 C ATOM 1391 OG SER A 88 -5.111 -3.995 -14.950 1.00 0.00 O ATOM 0 H SER A 88 -4.715 -0.710 -15.347 1.00 0.00 H new ATOM 0 HA SER A 88 -5.073 -2.907 -17.301 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.302 -2.359 -14.570 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.975 -3.528 -15.688 1.00 0.00 H new ATOM 0 HG SER A 88 -5.486 -4.497 -14.196 1.00 0.00 H new ATOM 1397 N VAL A 89 -7.302 -2.083 -18.186 1.00 0.00 N ATOM 1398 CA VAL A 89 -8.404 -1.450 -18.901 1.00 0.00 C ATOM 1399 C VAL A 89 -7.941 -0.187 -19.618 1.00 0.00 C ATOM 1400 O VAL A 89 -7.963 0.905 -19.051 1.00 0.00 O ATOM 1401 CB VAL A 89 -9.559 -1.091 -17.947 1.00 0.00 C ATOM 1402 CG1 VAL A 89 -10.767 -0.601 -18.732 1.00 0.00 C ATOM 1403 CG2 VAL A 89 -9.926 -2.286 -17.081 1.00 0.00 C ATOM 0 H VAL A 89 -7.103 -3.040 -18.479 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.760 -2.172 -19.636 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.229 -0.285 -17.292 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.573 -0.352 -18.042 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.494 0.285 -19.305 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.101 -1.384 -19.412 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.744 -2.014 -16.413 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.237 -3.114 -17.717 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.060 -2.587 -16.491 1.00 0.00 H new ATOM 1413 N SER A 90 -7.521 -0.344 -20.870 1.00 0.00 N ATOM 1414 CA SER A 90 -7.049 0.783 -21.665 1.00 0.00 C ATOM 1415 C SER A 90 -7.903 0.960 -22.917 1.00 0.00 C ATOM 1416 O SER A 90 -8.507 0.008 -23.409 1.00 0.00 O ATOM 1417 CB SER A 90 -5.584 0.580 -22.057 1.00 0.00 C ATOM 1418 OG SER A 90 -4.902 1.819 -22.140 1.00 0.00 O ATOM 0 H SER A 90 -7.498 -1.241 -21.355 1.00 0.00 H new ATOM 0 HA SER A 90 -7.133 1.685 -21.058 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.093 -0.060 -21.324 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.529 0.066 -23.017 1.00 0.00 H new ATOM 0 HG SER A 90 -3.968 1.662 -22.390 1.00 0.00 H new ATOM 1424 N GLY A 91 -7.947 2.187 -23.427 1.00 0.00 N ATOM 1425 CA GLY A 91 -8.729 2.468 -24.617 1.00 0.00 C ATOM 1426 C GLY A 91 -7.863 2.819 -25.810 1.00 0.00 C ATOM 1427 O GLY A 91 -7.686 3.988 -26.154 1.00 0.00 O ATOM 0 H GLY A 91 -7.455 2.991 -23.037 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.341 1.599 -24.859 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.412 3.292 -24.413 1.00 0.00 H new ATOM 1431 N PRO A 92 -7.304 1.789 -26.463 1.00 0.00 N ATOM 1432 CA PRO A 92 -6.441 1.969 -27.634 1.00 0.00 C ATOM 1433 C PRO A 92 -7.215 2.450 -28.856 1.00 0.00 C ATOM 1434 O PRO A 92 -8.148 1.789 -29.312 1.00 0.00 O ATOM 1435 CB PRO A 92 -5.875 0.568 -27.877 1.00 0.00 C ATOM 1436 CG PRO A 92 -6.885 -0.356 -27.288 1.00 0.00 C ATOM 1437 CD PRO A 92 -7.471 0.370 -26.108 1.00 0.00 C ATOM 0 HA PRO A 92 -5.678 2.728 -27.464 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.736 0.376 -28.941 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.902 0.446 -27.401 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.657 -0.605 -28.016 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.423 -1.294 -26.979 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.520 0.114 -25.959 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.948 0.123 -25.184 1.00 0.00 H new ATOM 1445 N SER A 93 -6.822 3.606 -29.384 1.00 0.00 N ATOM 1446 CA SER A 93 -7.482 4.177 -30.552 1.00 0.00 C ATOM 1447 C SER A 93 -7.462 3.196 -31.720 1.00 0.00 C ATOM 1448 O SER A 93 -6.592 2.330 -31.804 1.00 0.00 O ATOM 1449 CB SER A 93 -6.802 5.486 -30.958 1.00 0.00 C ATOM 1450 OG SER A 93 -7.611 6.222 -31.860 1.00 0.00 O ATOM 0 H SER A 93 -6.050 4.165 -29.021 1.00 0.00 H new ATOM 0 HA SER A 93 -8.520 4.381 -30.290 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.602 6.086 -30.070 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.839 5.271 -31.421 1.00 0.00 H new ATOM 0 HG SER A 93 -7.155 7.055 -32.103 1.00 0.00 H new ATOM 1456 N SER A 94 -8.429 3.340 -32.621 1.00 0.00 N ATOM 1457 CA SER A 94 -8.527 2.466 -33.784 1.00 0.00 C ATOM 1458 C SER A 94 -8.695 3.279 -35.063 1.00 0.00 C ATOM 1459 O SER A 94 -7.782 3.363 -35.884 1.00 0.00 O ATOM 1460 CB SER A 94 -9.701 1.498 -33.623 1.00 0.00 C ATOM 1461 OG SER A 94 -9.884 0.720 -34.794 1.00 0.00 O ATOM 0 H SER A 94 -9.156 4.054 -32.568 1.00 0.00 H new ATOM 0 HA SER A 94 -7.601 1.895 -33.857 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.522 0.842 -32.771 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.611 2.058 -33.408 1.00 0.00 H new ATOM 0 HG SER A 94 -10.639 0.108 -34.666 1.00 0.00 H new ATOM 1467 N GLY A 95 -9.871 3.878 -35.226 1.00 0.00 N ATOM 1468 CA GLY A 95 -10.140 4.678 -36.407 1.00 0.00 C ATOM 1469 C GLY A 95 -11.623 4.829 -36.680 1.00 0.00 C ATOM 1470 O GLY A 95 -12.451 4.561 -35.810 1.00 0.00 O ATOM 0 H GLY A 95 -10.642 3.823 -34.561 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.694 5.665 -36.283 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.660 4.218 -37.271 1.00 0.00 H new TER 1474 GLY A 95