USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 51 TYR OH : rot -79:sc= 0.708 USER MOD Set 1.2: A 63 THR OG1 : rot 90:sc= 0.623 USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 15 THR OG1 : rot -10:sc= 0.467 USER MOD Single : A 16 SER OG : rot -130:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= -0.565 (180deg=-0.619) USER MOD Single : A 20 GLN : amide:sc= -0.0914 X(o=-0.091,f=-0.54) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 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= 0.135 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 57:sc= 0.00868 USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= -0.551 (180deg=-2.32!) USER MOD Single : A 44 GLN : amide:sc= -0.263 K(o=-0.26,f=0.9) USER MOD Single : A 45 GLN : amide:sc= -0.0946 K(o=-0.095,f=-1.9!) USER MOD Single : A 48 GLN : amide:sc= -1.42 X(o=-1.4,f=-0.95) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -126:sc= -0.691 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 74 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0485 (180deg=-0.293) USER MOD Single : A 81 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.5) USER MOD Single : A 82 GLN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0909 X(o=-0.091,f=-0.53) USER MOD Single : A 90 SER OG : rot 35:sc= 0.138 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= -0.351 (180deg=-1.63!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.785 K(o=-0.79,f=-3.4!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.831 -30.341 29.932 1.00 0.00 N ATOM 2 CA GLY A 1 -8.097 -31.688 29.358 1.00 0.00 C ATOM 3 C GLY A 1 -9.527 -32.144 29.579 1.00 0.00 C ATOM 4 O GLY A 1 -10.423 -31.762 28.827 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.841 -30.077 29.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.461 -29.643 29.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.005 -30.360 30.957 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.886 -31.671 28.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.416 -32.411 29.806 1.00 0.00 H new ATOM 10 N PRO A 2 -9.779 -32.967 30.613 1.00 0.00 N ATOM 11 CA PRO A 2 -11.123 -33.465 30.916 1.00 0.00 C ATOM 12 C PRO A 2 -12.016 -32.388 31.523 1.00 0.00 C ATOM 13 O PRO A 2 -11.652 -31.212 31.557 1.00 0.00 O ATOM 14 CB PRO A 2 -10.866 -34.579 31.930 1.00 0.00 C ATOM 15 CG PRO A 2 -9.597 -34.187 32.605 1.00 0.00 C ATOM 16 CD PRO A 2 -8.772 -33.477 31.566 1.00 0.00 C ATOM 0 HA PRO A 2 -11.647 -33.797 30.020 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.685 -34.662 32.644 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.771 -35.548 31.439 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.794 -33.536 33.457 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.072 -35.063 32.987 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.187 -32.668 32.003 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.068 -34.154 31.082 1.00 0.00 H new ATOM 24 N GLY A 3 -13.187 -32.797 32.002 1.00 0.00 N ATOM 25 CA GLY A 3 -14.112 -31.855 32.602 1.00 0.00 C ATOM 26 C GLY A 3 -15.094 -31.286 31.596 1.00 0.00 C ATOM 27 O GLY A 3 -14.706 -30.887 30.498 1.00 0.00 O ATOM 0 H GLY A 3 -13.511 -33.764 31.985 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -14.662 -32.350 33.402 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -13.551 -31.040 33.058 1.00 0.00 H new ATOM 31 N SER A 4 -16.368 -31.248 31.973 1.00 0.00 N ATOM 32 CA SER A 4 -17.409 -30.722 31.095 1.00 0.00 C ATOM 33 C SER A 4 -17.492 -31.532 29.806 1.00 0.00 C ATOM 34 O SER A 4 -16.547 -32.229 29.436 1.00 0.00 O ATOM 35 CB SER A 4 -17.138 -29.252 30.771 1.00 0.00 C ATOM 36 OG SER A 4 -18.348 -28.522 30.665 1.00 0.00 O ATOM 0 H SER A 4 -16.705 -31.574 32.879 1.00 0.00 H new ATOM 0 HA SER A 4 -18.363 -30.801 31.616 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.512 -28.814 31.549 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.582 -29.179 29.836 1.00 0.00 H new ATOM 0 HG SER A 4 -18.148 -27.585 30.459 1.00 0.00 H new ATOM 42 N LEU A 5 -18.629 -31.434 29.124 1.00 0.00 N ATOM 43 CA LEU A 5 -18.836 -32.156 27.874 1.00 0.00 C ATOM 44 C LEU A 5 -19.729 -31.359 26.928 1.00 0.00 C ATOM 45 O LEU A 5 -20.870 -31.741 26.662 1.00 0.00 O ATOM 46 CB LEU A 5 -19.454 -33.529 28.153 1.00 0.00 C ATOM 47 CG LEU A 5 -18.458 -34.690 28.200 1.00 0.00 C ATOM 48 CD1 LEU A 5 -18.780 -35.627 29.355 1.00 0.00 C ATOM 49 CD2 LEU A 5 -18.459 -35.449 26.882 1.00 0.00 C ATOM 0 H LEU A 5 -19.421 -30.862 29.416 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.867 -32.294 27.394 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -19.983 -33.486 29.105 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -20.197 -33.739 27.384 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.461 -34.279 28.360 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.060 -36.446 29.371 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.726 -35.078 30.295 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -19.785 -36.030 29.228 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.745 -36.271 26.935 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.456 -35.847 26.692 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.177 -34.775 26.074 1.00 0.00 H new ATOM 61 N SER A 6 -19.203 -30.247 26.425 1.00 0.00 N ATOM 62 CA SER A 6 -19.952 -29.392 25.510 1.00 0.00 C ATOM 63 C SER A 6 -19.233 -29.264 24.170 1.00 0.00 C ATOM 64 O SER A 6 -19.865 -29.269 23.114 1.00 0.00 O ATOM 65 CB SER A 6 -20.158 -28.008 26.126 1.00 0.00 C ATOM 66 OG SER A 6 -20.425 -28.102 27.514 1.00 0.00 O ATOM 0 H SER A 6 -18.261 -29.917 26.635 1.00 0.00 H new ATOM 0 HA SER A 6 -20.924 -29.853 25.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.269 -27.399 25.964 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.985 -27.504 25.627 1.00 0.00 H new ATOM 0 HG SER A 6 -20.551 -27.204 27.884 1.00 0.00 H new ATOM 72 N ASN A 7 -17.909 -29.149 24.222 1.00 0.00 N ATOM 73 CA ASN A 7 -17.103 -29.017 23.013 1.00 0.00 C ATOM 74 C ASN A 7 -17.438 -27.727 22.272 1.00 0.00 C ATOM 75 O ASN A 7 -18.606 -27.430 22.020 1.00 0.00 O ATOM 76 CB ASN A 7 -17.323 -30.220 22.091 1.00 0.00 C ATOM 77 CG ASN A 7 -16.960 -31.534 22.756 1.00 0.00 C ATOM 78 OD1 ASN A 7 -15.833 -32.013 22.637 1.00 0.00 O ATOM 79 ND2 ASN A 7 -17.919 -32.123 23.461 1.00 0.00 N ATOM 0 H ASN A 7 -17.372 -29.145 25.089 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.055 -28.983 23.310 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -18.367 -30.250 21.780 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.725 -30.096 21.188 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.735 -33.009 23.931 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -18.839 -31.689 23.532 1.00 0.00 H new ATOM 86 N PHE A 8 -16.405 -26.964 21.928 1.00 0.00 N ATOM 87 CA PHE A 8 -16.590 -25.703 21.217 1.00 0.00 C ATOM 88 C PHE A 8 -16.867 -25.949 19.737 1.00 0.00 C ATOM 89 O PHE A 8 -16.413 -26.942 19.167 1.00 0.00 O ATOM 90 CB PHE A 8 -15.355 -24.817 21.377 1.00 0.00 C ATOM 91 CG PHE A 8 -15.601 -23.377 21.030 1.00 0.00 C ATOM 92 CD1 PHE A 8 -16.297 -22.551 21.899 1.00 0.00 C ATOM 93 CD2 PHE A 8 -15.138 -22.849 19.835 1.00 0.00 C ATOM 94 CE1 PHE A 8 -16.525 -21.225 21.583 1.00 0.00 C ATOM 95 CE2 PHE A 8 -15.363 -21.525 19.514 1.00 0.00 C ATOM 96 CZ PHE A 8 -16.058 -20.711 20.388 1.00 0.00 C ATOM 0 H PHE A 8 -15.432 -27.196 22.130 1.00 0.00 H new ATOM 0 HA PHE A 8 -17.451 -25.194 21.649 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -15.004 -24.879 22.407 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -14.556 -25.203 20.744 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -16.665 -22.948 22.833 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -14.595 -23.480 19.147 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -17.067 -20.591 22.269 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.996 -21.126 18.580 1.00 0.00 H new ATOM 0 HZ PHE A 8 -16.236 -19.676 20.138 1.00 0.00 H new ATOM 106 N ALA A 9 -17.613 -25.038 19.121 1.00 0.00 N ATOM 107 CA ALA A 9 -17.950 -25.156 17.708 1.00 0.00 C ATOM 108 C ALA A 9 -18.441 -23.825 17.148 1.00 0.00 C ATOM 109 O ALA A 9 -19.210 -23.114 17.795 1.00 0.00 O ATOM 110 CB ALA A 9 -19.001 -26.236 17.504 1.00 0.00 C ATOM 0 H ALA A 9 -17.995 -24.210 19.578 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.047 -25.437 17.167 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.243 -26.313 16.444 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.614 -27.192 17.858 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.900 -25.979 18.064 1.00 0.00 H new ATOM 116 N ASN A 10 -17.991 -23.495 15.942 1.00 0.00 N ATOM 117 CA ASN A 10 -18.385 -22.248 15.295 1.00 0.00 C ATOM 118 C ASN A 10 -19.504 -22.489 14.285 1.00 0.00 C ATOM 119 O ASN A 10 -19.537 -21.863 13.228 1.00 0.00 O ATOM 120 CB ASN A 10 -17.182 -21.608 14.600 1.00 0.00 C ATOM 121 CG ASN A 10 -16.403 -20.688 15.520 1.00 0.00 C ATOM 122 OD1 ASN A 10 -15.504 -21.126 16.238 1.00 0.00 O ATOM 123 ND2 ASN A 10 -16.746 -19.406 15.503 1.00 0.00 N ATOM 0 H ASN A 10 -17.354 -24.073 15.393 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.755 -21.569 16.063 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.521 -22.392 14.230 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.525 -21.044 13.733 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.258 -18.739 16.101 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.498 -19.087 14.892 1.00 0.00 H new ATOM 130 N VAL A 11 -20.410 -23.404 14.628 1.00 0.00 N ATOM 131 CA VAL A 11 -21.544 -23.753 13.771 1.00 0.00 C ATOM 132 C VAL A 11 -21.103 -24.091 12.346 1.00 0.00 C ATOM 133 O VAL A 11 -20.000 -23.747 11.923 1.00 0.00 O ATOM 134 CB VAL A 11 -22.607 -22.626 13.738 1.00 0.00 C ATOM 135 CG1 VAL A 11 -22.102 -21.401 12.989 1.00 0.00 C ATOM 136 CG2 VAL A 11 -23.902 -23.135 13.125 1.00 0.00 C ATOM 0 H VAL A 11 -20.379 -23.923 15.505 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.995 -24.643 14.210 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.802 -22.323 14.767 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.874 -20.632 12.987 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.209 -21.016 13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.861 -21.676 11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -24.638 -22.331 13.109 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.714 -23.474 12.106 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.284 -23.965 13.719 1.00 0.00 H new ATOM 146 N GLY A 12 -21.971 -24.778 11.611 1.00 0.00 N ATOM 147 CA GLY A 12 -21.653 -25.156 10.247 1.00 0.00 C ATOM 148 C GLY A 12 -22.657 -26.130 9.663 1.00 0.00 C ATOM 149 O GLY A 12 -23.784 -26.234 10.148 1.00 0.00 O ATOM 0 H GLY A 12 -22.890 -25.080 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -21.616 -24.262 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.660 -25.604 10.220 1.00 0.00 H new ATOM 153 N VAL A 13 -22.248 -26.844 8.620 1.00 0.00 N ATOM 154 CA VAL A 13 -23.121 -27.813 7.968 1.00 0.00 C ATOM 155 C VAL A 13 -22.647 -29.242 8.224 1.00 0.00 C ATOM 156 O VAL A 13 -22.880 -30.137 7.412 1.00 0.00 O ATOM 157 CB VAL A 13 -23.193 -27.574 6.449 1.00 0.00 C ATOM 158 CG1 VAL A 13 -23.957 -26.295 6.144 1.00 0.00 C ATOM 159 CG2 VAL A 13 -21.795 -27.523 5.850 1.00 0.00 C ATOM 0 H VAL A 13 -21.318 -26.770 8.208 1.00 0.00 H new ATOM 0 HA VAL A 13 -24.114 -27.679 8.397 1.00 0.00 H new ATOM 0 HB VAL A 13 -23.729 -28.407 5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -23.997 -26.144 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -24.971 -26.374 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -23.452 -25.449 6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.865 -27.353 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -21.232 -26.711 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -21.285 -28.468 6.035 1.00 0.00 H new ATOM 169 N GLY A 14 -21.982 -29.446 9.357 1.00 0.00 N ATOM 170 CA GLY A 14 -21.488 -30.769 9.698 1.00 0.00 C ATOM 171 C GLY A 14 -19.993 -30.783 9.951 1.00 0.00 C ATOM 172 O GLY A 14 -19.230 -31.360 9.175 1.00 0.00 O ATOM 0 H GLY A 14 -21.776 -28.721 10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -22.007 -31.129 10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -21.723 -31.461 8.889 1.00 0.00 H new ATOM 176 N THR A 15 -19.573 -30.146 11.041 1.00 0.00 N ATOM 177 CA THR A 15 -18.159 -30.087 11.399 1.00 0.00 C ATOM 178 C THR A 15 -17.325 -29.526 10.249 1.00 0.00 C ATOM 179 O THR A 15 -16.313 -30.109 9.859 1.00 0.00 O ATOM 180 CB THR A 15 -17.651 -31.477 11.786 1.00 0.00 C ATOM 181 OG1 THR A 15 -17.444 -32.274 10.634 1.00 0.00 O ATOM 182 CG2 THR A 15 -18.595 -32.229 12.700 1.00 0.00 C ATOM 0 H THR A 15 -20.192 -29.663 11.692 1.00 0.00 H new ATOM 0 HA THR A 15 -18.055 -29.419 12.254 1.00 0.00 H new ATOM 0 HB THR A 15 -16.717 -31.303 12.320 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.822 -31.822 9.851 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.173 -33.206 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.736 -31.664 13.621 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.556 -32.359 12.203 1.00 0.00 H new ATOM 190 N SER A 16 -17.758 -28.390 9.710 1.00 0.00 N ATOM 191 CA SER A 16 -17.051 -27.751 8.606 1.00 0.00 C ATOM 192 C SER A 16 -16.684 -26.314 8.957 1.00 0.00 C ATOM 193 O SER A 16 -17.537 -25.426 8.957 1.00 0.00 O ATOM 194 CB SER A 16 -17.909 -27.779 7.336 1.00 0.00 C ATOM 195 OG SER A 16 -19.166 -28.388 7.580 1.00 0.00 O ATOM 0 H SER A 16 -18.594 -27.894 10.020 1.00 0.00 H new ATOM 0 HA SER A 16 -16.132 -28.308 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.059 -26.762 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.384 -28.324 6.551 1.00 0.00 H new ATOM 0 HG SER A 16 -19.337 -29.071 6.898 1.00 0.00 H new ATOM 201 N SER A 17 -15.408 -26.090 9.255 1.00 0.00 N ATOM 202 CA SER A 17 -14.928 -24.758 9.607 1.00 0.00 C ATOM 203 C SER A 17 -13.569 -24.484 8.970 1.00 0.00 C ATOM 204 O SER A 17 -12.538 -24.934 9.468 1.00 0.00 O ATOM 205 CB SER A 17 -14.830 -24.615 11.126 1.00 0.00 C ATOM 206 OG SER A 17 -15.978 -25.146 11.765 1.00 0.00 O ATOM 0 H SER A 17 -14.688 -26.813 9.260 1.00 0.00 H new ATOM 0 HA SER A 17 -15.642 -24.028 9.225 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.939 -25.130 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.718 -23.563 11.389 1.00 0.00 H new ATOM 0 HG SER A 17 -15.889 -25.043 12.736 1.00 0.00 H new ATOM 212 N GLY A 18 -13.577 -23.743 7.868 1.00 0.00 N ATOM 213 CA GLY A 18 -12.340 -23.421 7.181 1.00 0.00 C ATOM 214 C GLY A 18 -11.822 -22.042 7.537 1.00 0.00 C ATOM 215 O GLY A 18 -12.376 -21.032 7.101 1.00 0.00 O ATOM 0 H GLY A 18 -14.418 -23.359 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.584 -24.166 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.500 -23.479 6.104 1.00 0.00 H new ATOM 219 N LYS A 19 -10.758 -21.998 8.333 1.00 0.00 N ATOM 220 CA LYS A 19 -10.166 -20.731 8.748 1.00 0.00 C ATOM 221 C LYS A 19 -9.085 -20.286 7.768 1.00 0.00 C ATOM 222 O LYS A 19 -9.224 -19.266 7.097 1.00 0.00 O ATOM 223 CB LYS A 19 -9.577 -20.857 10.155 1.00 0.00 C ATOM 224 CG LYS A 19 -10.511 -20.367 11.250 1.00 0.00 C ATOM 225 CD LYS A 19 -11.297 -21.513 11.865 1.00 0.00 C ATOM 226 CE LYS A 19 -12.356 -21.007 12.831 1.00 0.00 C ATOM 227 NZ LYS A 19 -13.618 -21.793 12.733 1.00 0.00 N ATOM 0 H LYS A 19 -10.289 -22.824 8.703 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.953 -19.977 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.326 -21.901 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.646 -20.292 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.933 -19.864 12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.201 -19.630 10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.772 -22.095 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.615 -22.183 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.973 -21.061 13.850 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.565 -19.957 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.290 -21.461 13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.033 -21.667 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.413 -22.800 12.889 1.00 0.00 H new ATOM 241 N GLN A 20 -8.006 -21.059 7.695 1.00 0.00 N ATOM 242 CA GLN A 20 -6.899 -20.744 6.799 1.00 0.00 C ATOM 243 C GLN A 20 -6.271 -19.402 7.165 1.00 0.00 C ATOM 244 O GLN A 20 -6.590 -18.820 8.203 1.00 0.00 O ATOM 245 CB GLN A 20 -7.382 -20.721 5.347 1.00 0.00 C ATOM 246 CG GLN A 20 -6.911 -21.913 4.531 1.00 0.00 C ATOM 247 CD GLN A 20 -8.051 -22.812 4.095 1.00 0.00 C ATOM 248 OE1 GLN A 20 -9.123 -22.337 3.720 1.00 0.00 O ATOM 249 NE2 GLN A 20 -7.826 -24.120 4.142 1.00 0.00 N ATOM 0 H GLN A 20 -7.875 -21.908 8.245 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.141 -21.520 6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.472 -20.691 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.033 -19.805 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.378 -21.557 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.201 -22.494 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.922 -24.471 4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.557 -24.774 3.861 1.00 0.00 H new ATOM 258 N LYS A 21 -5.379 -18.919 6.309 1.00 0.00 N ATOM 259 CA LYS A 21 -4.705 -17.645 6.543 1.00 0.00 C ATOM 260 C LYS A 21 -5.315 -16.540 5.689 1.00 0.00 C ATOM 261 O LYS A 21 -6.115 -16.806 4.790 1.00 0.00 O ATOM 262 CB LYS A 21 -3.211 -17.771 6.244 1.00 0.00 C ATOM 263 CG LYS A 21 -2.582 -19.036 6.810 1.00 0.00 C ATOM 264 CD LYS A 21 -1.294 -18.732 7.559 1.00 0.00 C ATOM 265 CE LYS A 21 -1.572 -18.129 8.926 1.00 0.00 C ATOM 266 NZ LYS A 21 -0.341 -17.569 9.548 1.00 0.00 N ATOM 0 H LYS A 21 -5.105 -19.389 5.446 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.837 -17.382 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.062 -17.753 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.693 -16.903 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.288 -19.525 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.376 -19.735 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.715 -19.648 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.686 -18.043 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.320 -17.342 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.994 -18.892 9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.574 -17.168 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.364 -18.325 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.048 -16.823 8.937 1.00 0.00 H new ATOM 280 N ARG A 22 -4.934 -15.299 5.974 1.00 0.00 N ATOM 281 CA ARG A 22 -5.444 -14.153 5.231 1.00 0.00 C ATOM 282 C ARG A 22 -4.382 -13.063 5.110 1.00 0.00 C ATOM 283 O ARG A 22 -3.822 -12.615 6.111 1.00 0.00 O ATOM 284 CB ARG A 22 -6.692 -13.589 5.914 1.00 0.00 C ATOM 285 CG ARG A 22 -7.597 -12.806 4.979 1.00 0.00 C ATOM 286 CD ARG A 22 -8.227 -11.614 5.679 1.00 0.00 C ATOM 287 NE ARG A 22 -9.449 -11.168 5.013 1.00 0.00 N ATOM 288 CZ ARG A 22 -10.307 -10.302 5.543 1.00 0.00 C ATOM 289 NH1 ARG A 22 -10.085 -9.786 6.746 1.00 0.00 N ATOM 290 NH2 ARG A 22 -11.394 -9.949 4.868 1.00 0.00 N ATOM 0 H ARG A 22 -4.274 -15.062 6.714 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.707 -14.492 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.259 -14.411 6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.385 -12.941 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.022 -12.462 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.381 -13.461 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.454 -11.879 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.511 -10.793 5.710 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.656 -11.543 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.252 -10.054 7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.748 -9.122 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.570 -10.342 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.053 -9.285 5.274 1.00 0.00 H new ATOM 304 N TYR A 23 -4.108 -12.646 3.878 1.00 0.00 N ATOM 305 CA TYR A 23 -3.112 -11.611 3.625 1.00 0.00 C ATOM 306 C TYR A 23 -3.768 -10.237 3.506 1.00 0.00 C ATOM 307 O TYR A 23 -3.294 -9.260 4.083 1.00 0.00 O ATOM 308 CB TYR A 23 -2.329 -11.930 2.348 1.00 0.00 C ATOM 309 CG TYR A 23 -0.830 -11.927 2.541 1.00 0.00 C ATOM 310 CD1 TYR A 23 -0.182 -10.821 3.077 1.00 0.00 C ATOM 311 CD2 TYR A 23 -0.063 -13.029 2.185 1.00 0.00 C ATOM 312 CE1 TYR A 23 1.189 -10.815 3.254 1.00 0.00 C ATOM 313 CE2 TYR A 23 1.308 -13.029 2.359 1.00 0.00 C ATOM 314 CZ TYR A 23 1.928 -11.921 2.893 1.00 0.00 C ATOM 315 OH TYR A 23 3.293 -11.918 3.068 1.00 0.00 O ATOM 0 H TYR A 23 -4.562 -13.009 3.040 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.424 -11.590 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.637 -12.908 1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.590 -11.201 1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.758 -9.953 3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.546 -13.899 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.678 -9.948 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.891 -13.894 2.078 1.00 0.00 H new ATOM 0 HH TYR A 23 3.664 -12.773 2.765 1.00 0.00 H new ATOM 325 N LYS A 24 -4.860 -10.172 2.750 1.00 0.00 N ATOM 326 CA LYS A 24 -5.582 -8.920 2.551 1.00 0.00 C ATOM 327 C LYS A 24 -6.272 -8.474 3.832 1.00 0.00 C ATOM 328 O LYS A 24 -7.499 -8.475 3.923 1.00 0.00 O ATOM 329 CB LYS A 24 -6.611 -9.072 1.428 1.00 0.00 C ATOM 330 CG LYS A 24 -6.885 -7.780 0.676 1.00 0.00 C ATOM 331 CD LYS A 24 -7.620 -8.040 -0.630 1.00 0.00 C ATOM 332 CE LYS A 24 -9.105 -7.737 -0.507 1.00 0.00 C ATOM 333 NZ LYS A 24 -9.939 -8.954 -0.710 1.00 0.00 N ATOM 0 H LYS A 24 -5.264 -10.973 2.265 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.857 -8.156 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.259 -9.825 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.545 -9.442 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.478 -7.112 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.943 -7.271 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.187 -7.426 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.484 -9.081 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.309 -7.317 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.383 -6.980 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.945 -8.705 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.763 -9.341 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.692 -9.667 0.005 1.00 0.00 H new ATOM 347 N PHE A 25 -5.473 -8.074 4.815 1.00 0.00 N ATOM 348 CA PHE A 25 -6.007 -7.600 6.085 1.00 0.00 C ATOM 349 C PHE A 25 -7.076 -6.548 5.839 1.00 0.00 C ATOM 350 O PHE A 25 -6.941 -5.730 4.930 1.00 0.00 O ATOM 351 CB PHE A 25 -4.884 -7.012 6.941 1.00 0.00 C ATOM 352 CG PHE A 25 -4.047 -8.052 7.631 1.00 0.00 C ATOM 353 CD1 PHE A 25 -4.579 -8.823 8.651 1.00 0.00 C ATOM 354 CD2 PHE A 25 -2.728 -8.257 7.258 1.00 0.00 C ATOM 355 CE1 PHE A 25 -3.812 -9.780 9.287 1.00 0.00 C ATOM 356 CE2 PHE A 25 -1.956 -9.212 7.890 1.00 0.00 C ATOM 357 CZ PHE A 25 -2.497 -9.974 8.907 1.00 0.00 C ATOM 0 H PHE A 25 -4.455 -8.069 4.756 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.452 -8.442 6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.240 -6.399 6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.318 -6.351 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.605 -8.674 8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.299 -7.663 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.239 -10.376 10.080 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.930 -9.363 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.894 -10.720 9.404 1.00 0.00 H new ATOM 367 N SER A 26 -8.134 -6.560 6.645 1.00 0.00 N ATOM 368 CA SER A 26 -9.202 -5.583 6.492 1.00 0.00 C ATOM 369 C SER A 26 -8.687 -4.208 6.891 1.00 0.00 C ATOM 370 O SER A 26 -9.170 -3.603 7.850 1.00 0.00 O ATOM 371 CB SER A 26 -10.409 -5.967 7.349 1.00 0.00 C ATOM 372 OG SER A 26 -10.443 -7.364 7.589 1.00 0.00 O ATOM 0 H SER A 26 -8.272 -7.229 7.403 1.00 0.00 H new ATOM 0 HA SER A 26 -9.520 -5.562 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.369 -5.433 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.327 -5.659 6.848 1.00 0.00 H new ATOM 0 HG SER A 26 -11.223 -7.582 8.140 1.00 0.00 H new ATOM 378 N ALA A 27 -7.682 -3.729 6.162 1.00 0.00 N ATOM 379 CA ALA A 27 -7.078 -2.442 6.456 1.00 0.00 C ATOM 380 C ALA A 27 -6.388 -2.477 7.817 1.00 0.00 C ATOM 381 O ALA A 27 -6.175 -1.436 8.438 1.00 0.00 O ATOM 382 CB ALA A 27 -8.124 -1.338 6.416 1.00 0.00 C ATOM 0 H ALA A 27 -7.272 -4.216 5.365 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.328 -2.231 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.652 -0.381 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.573 -1.298 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.897 -1.542 7.157 1.00 0.00 H new ATOM 388 N SER A 28 -6.041 -3.682 8.280 1.00 0.00 N ATOM 389 CA SER A 28 -5.378 -3.832 9.571 1.00 0.00 C ATOM 390 C SER A 28 -4.063 -3.064 9.604 1.00 0.00 C ATOM 391 O SER A 28 -3.707 -2.466 10.619 1.00 0.00 O ATOM 392 CB SER A 28 -5.126 -5.312 9.875 1.00 0.00 C ATOM 393 OG SER A 28 -4.818 -5.506 11.245 1.00 0.00 O ATOM 0 H SER A 28 -6.208 -4.557 7.783 1.00 0.00 H new ATOM 0 HA SER A 28 -6.037 -3.419 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.008 -5.896 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.305 -5.678 9.259 1.00 0.00 H new ATOM 0 HG SER A 28 -4.663 -6.459 11.414 1.00 0.00 H new ATOM 399 N GLU A 29 -3.344 -3.087 8.488 1.00 0.00 N ATOM 400 CA GLU A 29 -2.065 -2.392 8.390 1.00 0.00 C ATOM 401 C GLU A 29 -2.231 -0.897 8.656 1.00 0.00 C ATOM 402 O GLU A 29 -1.538 -0.325 9.500 1.00 0.00 O ATOM 403 CB GLU A 29 -1.447 -2.611 7.005 1.00 0.00 C ATOM 404 CG GLU A 29 -2.418 -2.384 5.857 1.00 0.00 C ATOM 405 CD GLU A 29 -2.300 -3.438 4.772 1.00 0.00 C ATOM 406 OE1 GLU A 29 -1.771 -4.533 5.061 1.00 0.00 O ATOM 407 OE2 GLU A 29 -2.739 -3.170 3.634 1.00 0.00 O ATOM 0 H GLU A 29 -3.624 -3.578 7.639 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.399 -2.803 9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.596 -1.940 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.061 -3.629 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.437 -2.380 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.238 -1.400 5.423 1.00 0.00 H new ATOM 414 N ASP A 30 -3.156 -0.269 7.935 1.00 0.00 N ATOM 415 CA ASP A 30 -3.411 1.158 8.097 1.00 0.00 C ATOM 416 C ASP A 30 -3.894 1.466 9.508 1.00 0.00 C ATOM 417 O ASP A 30 -3.502 2.469 10.106 1.00 0.00 O ATOM 418 CB ASP A 30 -4.445 1.634 7.073 1.00 0.00 C ATOM 419 CG ASP A 30 -3.800 2.216 5.830 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.901 3.071 5.973 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.195 1.816 4.714 1.00 0.00 O ATOM 0 H ASP A 30 -3.740 -0.725 7.234 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.475 1.691 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.084 0.798 6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.088 2.385 7.532 1.00 0.00 H new ATOM 426 N GLU A 31 -4.745 0.596 10.037 1.00 0.00 N ATOM 427 CA GLU A 31 -5.279 0.770 11.380 1.00 0.00 C ATOM 428 C GLU A 31 -4.156 0.771 12.410 1.00 0.00 C ATOM 429 O GLU A 31 -4.262 1.409 13.459 1.00 0.00 O ATOM 430 CB GLU A 31 -6.289 -0.333 11.702 1.00 0.00 C ATOM 431 CG GLU A 31 -7.520 0.167 12.441 1.00 0.00 C ATOM 432 CD GLU A 31 -8.420 -0.960 12.905 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.851 -1.766 12.053 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.696 -1.038 14.122 1.00 0.00 O ATOM 0 H GLU A 31 -5.080 -0.238 9.555 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.788 1.733 11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.602 -0.810 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.799 -1.098 12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.207 0.755 13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.085 0.833 11.789 1.00 0.00 H new ATOM 441 N ALA A 32 -3.081 0.056 12.106 1.00 0.00 N ATOM 442 CA ALA A 32 -1.943 -0.015 13.006 1.00 0.00 C ATOM 443 C ALA A 32 -1.118 1.262 12.936 1.00 0.00 C ATOM 444 O ALA A 32 -0.628 1.752 13.953 1.00 0.00 O ATOM 445 CB ALA A 32 -1.082 -1.227 12.686 1.00 0.00 C ATOM 0 H ALA A 32 -2.975 -0.481 11.245 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.320 -0.121 14.023 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.235 -1.263 13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.676 -2.134 12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.717 -1.154 11.661 1.00 0.00 H new ATOM 451 N ILE A 33 -0.972 1.804 11.732 1.00 0.00 N ATOM 452 CA ILE A 33 -0.207 3.031 11.549 1.00 0.00 C ATOM 453 C ILE A 33 -0.960 4.230 12.106 1.00 0.00 C ATOM 454 O ILE A 33 -0.360 5.129 12.695 1.00 0.00 O ATOM 455 CB ILE A 33 0.138 3.301 10.072 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.412 1.986 9.333 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.339 4.236 9.988 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.204 2.148 8.052 1.00 0.00 C ATOM 0 H ILE A 33 -1.369 1.417 10.876 1.00 0.00 H new ATOM 0 HA ILE A 33 0.725 2.889 12.096 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.713 3.782 9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.953 1.314 9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.539 1.507 9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.581 4.425 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.102 5.178 10.482 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.195 3.774 10.480 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.354 1.172 7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.656 2.793 7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.172 2.596 8.277 1.00 0.00 H new ATOM 470 N ILE A 34 -2.278 4.237 11.931 1.00 0.00 N ATOM 471 CA ILE A 34 -3.093 5.333 12.438 1.00 0.00 C ATOM 472 C ILE A 34 -3.126 5.302 13.959 1.00 0.00 C ATOM 473 O ILE A 34 -3.062 6.343 14.616 1.00 0.00 O ATOM 474 CB ILE A 34 -4.535 5.288 11.889 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.213 3.975 12.275 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.533 5.467 10.379 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.896 4.018 13.624 1.00 0.00 C ATOM 0 H ILE A 34 -2.799 3.505 11.448 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.634 6.261 12.096 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.101 6.108 12.332 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.949 3.718 11.513 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.468 3.179 12.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.557 5.433 10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.087 6.429 10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.953 4.667 9.919 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.355 3.051 13.830 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.161 4.243 14.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.665 4.791 13.618 1.00 0.00 H new ATOM 489 N LYS A 35 -3.200 4.097 14.516 1.00 0.00 N ATOM 490 CA LYS A 35 -3.214 3.931 15.962 1.00 0.00 C ATOM 491 C LYS A 35 -1.828 4.217 16.521 1.00 0.00 C ATOM 492 O LYS A 35 -1.681 4.876 17.552 1.00 0.00 O ATOM 493 CB LYS A 35 -3.653 2.514 16.338 1.00 0.00 C ATOM 494 CG LYS A 35 -3.897 2.327 17.826 1.00 0.00 C ATOM 495 CD LYS A 35 -2.664 1.783 18.529 1.00 0.00 C ATOM 496 CE LYS A 35 -3.005 1.228 19.903 1.00 0.00 C ATOM 497 NZ LYS A 35 -2.704 2.206 20.987 1.00 0.00 N ATOM 0 H LYS A 35 -3.251 3.225 13.989 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.928 4.634 16.391 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.566 2.270 15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.890 1.808 16.012 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.180 3.280 18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.733 1.644 17.976 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.213 0.999 17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.922 2.575 18.629 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.062 0.963 19.936 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.441 0.311 20.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.950 1.790 21.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.691 2.440 20.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.261 3.072 20.838 1.00 0.00 H new ATOM 511 N GLY A 36 -0.813 3.730 15.817 1.00 0.00 N ATOM 512 CA GLY A 36 0.554 3.955 16.237 1.00 0.00 C ATOM 513 C GLY A 36 0.895 5.428 16.260 1.00 0.00 C ATOM 514 O GLY A 36 1.437 5.934 17.243 1.00 0.00 O ATOM 0 H GLY A 36 -0.914 3.183 14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.705 3.531 17.230 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.233 3.434 15.562 1.00 0.00 H new ATOM 518 N LEU A 37 0.561 6.122 15.175 1.00 0.00 N ATOM 519 CA LEU A 37 0.820 7.552 15.072 1.00 0.00 C ATOM 520 C LEU A 37 0.127 8.300 16.207 1.00 0.00 C ATOM 521 O LEU A 37 0.703 9.204 16.811 1.00 0.00 O ATOM 522 CB LEU A 37 0.341 8.085 13.719 1.00 0.00 C ATOM 523 CG LEU A 37 1.452 8.530 12.767 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.811 7.410 11.804 1.00 0.00 C ATOM 525 CD2 LEU A 37 1.034 9.778 12.003 1.00 0.00 C ATOM 0 H LEU A 37 0.110 5.715 14.355 1.00 0.00 H new ATOM 0 HA LEU A 37 1.895 7.715 15.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.248 7.310 13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.326 8.929 13.894 1.00 0.00 H new ATOM 0 HG LEU A 37 2.335 8.770 13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.603 7.746 11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.155 6.542 12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.933 7.138 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.837 10.079 11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.136 9.566 11.423 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.829 10.584 12.707 1.00 0.00 H new ATOM 537 N ALA A 38 -1.111 7.912 16.493 1.00 0.00 N ATOM 538 CA ALA A 38 -1.879 8.541 17.561 1.00 0.00 C ATOM 539 C ALA A 38 -1.126 8.478 18.885 1.00 0.00 C ATOM 540 O ALA A 38 -1.281 9.348 19.742 1.00 0.00 O ATOM 541 CB ALA A 38 -3.242 7.878 17.694 1.00 0.00 C ATOM 0 H ALA A 38 -1.603 7.166 16.001 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.023 9.590 17.303 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.804 8.358 18.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.789 7.979 16.756 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.111 6.821 17.926 1.00 0.00 H new ATOM 547 N ARG A 39 -0.307 7.442 19.045 1.00 0.00 N ATOM 548 CA ARG A 39 0.474 7.266 20.266 1.00 0.00 C ATOM 549 C ARG A 39 1.972 7.304 19.975 1.00 0.00 C ATOM 550 O ARG A 39 2.768 6.705 20.697 1.00 0.00 O ATOM 551 CB ARG A 39 0.103 5.944 20.944 1.00 0.00 C ATOM 552 CG ARG A 39 -0.651 6.123 22.252 1.00 0.00 C ATOM 553 CD ARG A 39 0.289 6.103 23.447 1.00 0.00 C ATOM 554 NE ARG A 39 0.295 7.378 24.160 1.00 0.00 N ATOM 555 CZ ARG A 39 -0.757 7.865 24.815 1.00 0.00 C ATOM 556 NH1 ARG A 39 -1.898 7.188 24.850 1.00 0.00 N ATOM 557 NH2 ARG A 39 -0.668 9.032 25.438 1.00 0.00 N ATOM 0 H ARG A 39 -0.167 6.713 18.346 1.00 0.00 H new ATOM 0 HA ARG A 39 0.239 8.092 20.938 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.507 5.353 20.260 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.013 5.374 21.133 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.196 7.067 22.232 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.391 5.330 22.357 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.009 5.307 24.130 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.299 5.871 23.110 1.00 0.00 H new ATOM 0 HE ARG A 39 1.155 7.927 24.156 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.973 6.289 24.373 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.700 7.566 25.353 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.206 9.557 25.415 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.474 9.405 25.940 1.00 0.00 H new ATOM 571 N PHE A 40 2.352 8.012 18.914 1.00 0.00 N ATOM 572 CA PHE A 40 3.758 8.127 18.536 1.00 0.00 C ATOM 573 C PHE A 40 3.980 9.335 17.631 1.00 0.00 C ATOM 574 O PHE A 40 3.839 9.244 16.413 1.00 0.00 O ATOM 575 CB PHE A 40 4.228 6.856 17.826 1.00 0.00 C ATOM 576 CG PHE A 40 4.389 5.679 18.745 1.00 0.00 C ATOM 577 CD1 PHE A 40 5.226 5.752 19.848 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.705 4.497 18.506 1.00 0.00 C ATOM 579 CE1 PHE A 40 5.377 4.671 20.694 1.00 0.00 C ATOM 580 CE2 PHE A 40 3.853 3.412 19.348 1.00 0.00 C ATOM 581 CZ PHE A 40 4.690 3.499 20.443 1.00 0.00 C ATOM 0 H PHE A 40 1.708 8.513 18.302 1.00 0.00 H new ATOM 0 HA PHE A 40 4.340 8.261 19.448 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.513 6.601 17.044 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.180 7.055 17.334 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.766 6.665 20.048 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.049 4.424 17.651 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.031 4.742 21.550 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.315 2.497 19.150 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.807 2.652 21.102 1.00 0.00 H new ATOM 591 N THR A 41 4.331 10.466 18.237 1.00 0.00 N ATOM 592 CA THR A 41 4.576 11.691 17.485 1.00 0.00 C ATOM 593 C THR A 41 5.372 12.690 18.319 1.00 0.00 C ATOM 594 O THR A 41 4.817 13.651 18.852 1.00 0.00 O ATOM 595 CB THR A 41 3.253 12.317 17.043 1.00 0.00 C ATOM 596 OG1 THR A 41 2.300 12.267 18.089 1.00 0.00 O ATOM 597 CG2 THR A 41 2.644 11.640 15.834 1.00 0.00 C ATOM 0 H THR A 41 4.452 10.559 19.246 1.00 0.00 H new ATOM 0 HA THR A 41 5.161 11.435 16.601 1.00 0.00 H new ATOM 0 HB THR A 41 3.495 13.346 16.779 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.658 12.722 18.880 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.708 12.134 15.574 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.335 11.706 14.993 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.450 10.592 16.063 1.00 0.00 H new ATOM 605 N LYS A 42 6.676 12.454 18.426 1.00 0.00 N ATOM 606 CA LYS A 42 7.550 13.333 19.194 1.00 0.00 C ATOM 607 C LYS A 42 8.532 14.058 18.280 1.00 0.00 C ATOM 608 O LYS A 42 8.863 15.222 18.505 1.00 0.00 O ATOM 609 CB LYS A 42 8.315 12.530 20.249 1.00 0.00 C ATOM 610 CG LYS A 42 7.416 11.699 21.151 1.00 0.00 C ATOM 611 CD LYS A 42 7.779 10.221 21.104 1.00 0.00 C ATOM 612 CE LYS A 42 6.670 9.392 20.475 1.00 0.00 C ATOM 613 NZ LYS A 42 5.530 9.183 21.412 1.00 0.00 N ATOM 0 H LYS A 42 7.150 11.662 17.991 1.00 0.00 H new ATOM 0 HA LYS A 42 6.929 14.077 19.693 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.023 11.870 19.748 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.898 13.216 20.863 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.496 12.060 22.176 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.377 11.828 20.847 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.699 10.090 20.535 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.975 9.861 22.114 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.312 9.890 19.574 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.069 8.425 20.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.233 8.187 21.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.826 9.426 22.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.734 9.791 21.131 1.00 0.00 H new ATOM 627 N GLY A 43 8.995 13.361 17.247 1.00 0.00 N ATOM 628 CA GLY A 43 9.936 13.953 16.315 1.00 0.00 C ATOM 629 C GLY A 43 9.329 14.185 14.945 1.00 0.00 C ATOM 630 O GLY A 43 8.107 14.204 14.795 1.00 0.00 O ATOM 0 H GLY A 43 8.735 12.397 17.039 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.292 14.902 16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.805 13.302 16.218 1.00 0.00 H new ATOM 634 N GLN A 44 10.184 14.363 13.942 1.00 0.00 N ATOM 635 CA GLN A 44 9.724 14.596 12.579 1.00 0.00 C ATOM 636 C GLN A 44 9.792 13.315 11.754 1.00 0.00 C ATOM 637 O GLN A 44 10.039 13.355 10.548 1.00 0.00 O ATOM 638 CB GLN A 44 10.566 15.687 11.914 1.00 0.00 C ATOM 639 CG GLN A 44 12.059 15.406 11.943 1.00 0.00 C ATOM 640 CD GLN A 44 12.672 15.348 10.557 1.00 0.00 C ATOM 641 OE1 GLN A 44 12.089 14.779 9.633 1.00 0.00 O ATOM 642 NE2 GLN A 44 13.852 15.937 10.406 1.00 0.00 N ATOM 0 H GLN A 44 11.198 14.350 14.049 1.00 0.00 H new ATOM 0 HA GLN A 44 8.685 14.923 12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.246 15.800 10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.374 16.637 12.413 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.559 16.181 12.524 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.236 14.460 12.454 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.298 16.397 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.313 15.930 9.496 1.00 0.00 H new ATOM 651 N GLN A 45 9.573 12.181 12.409 1.00 0.00 N ATOM 652 CA GLN A 45 9.608 10.889 11.734 1.00 0.00 C ATOM 653 C GLN A 45 8.797 9.850 12.501 1.00 0.00 C ATOM 654 O GLN A 45 9.355 9.010 13.208 1.00 0.00 O ATOM 655 CB GLN A 45 11.054 10.411 11.577 1.00 0.00 C ATOM 656 CG GLN A 45 11.869 10.508 12.856 1.00 0.00 C ATOM 657 CD GLN A 45 13.359 10.602 12.590 1.00 0.00 C ATOM 658 OE1 GLN A 45 13.792 10.680 11.440 1.00 0.00 O ATOM 659 NE2 GLN A 45 14.152 10.592 13.655 1.00 0.00 N ATOM 0 H GLN A 45 9.369 12.130 13.407 1.00 0.00 H new ATOM 0 HA GLN A 45 9.163 11.012 10.746 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.051 9.376 11.236 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.541 11.001 10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.548 11.383 13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.669 9.635 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.750 10.526 14.590 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.164 10.650 13.538 1.00 0.00 H new ATOM 668 N ARG A 46 7.477 9.911 12.353 1.00 0.00 N ATOM 669 CA ARG A 46 6.588 8.974 13.030 1.00 0.00 C ATOM 670 C ARG A 46 6.129 7.876 12.075 1.00 0.00 C ATOM 671 O ARG A 46 5.836 6.757 12.494 1.00 0.00 O ATOM 672 CB ARG A 46 5.374 9.710 13.598 1.00 0.00 C ATOM 673 CG ARG A 46 4.683 10.612 12.589 1.00 0.00 C ATOM 674 CD ARG A 46 5.239 12.028 12.631 1.00 0.00 C ATOM 675 NE ARG A 46 4.290 12.971 13.216 1.00 0.00 N ATOM 676 CZ ARG A 46 3.252 13.484 12.558 1.00 0.00 C ATOM 677 NH1 ARG A 46 3.028 13.150 11.294 1.00 0.00 N ATOM 678 NH2 ARG A 46 2.437 14.333 13.167 1.00 0.00 N ATOM 0 H ARG A 46 7.000 10.599 11.771 1.00 0.00 H new ATOM 0 HA ARG A 46 7.141 8.513 13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.657 8.978 13.970 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.690 10.309 14.452 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.808 10.201 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.613 10.635 12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.163 12.038 13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.492 12.348 11.620 1.00 0.00 H new ATOM 0 HE ARG A 46 4.430 13.254 14.186 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.652 12.497 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.231 13.546 10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.605 14.593 14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.642 14.726 12.664 1.00 0.00 H new ATOM 692 N PHE A 47 6.068 8.205 10.788 1.00 0.00 N ATOM 693 CA PHE A 47 5.643 7.249 9.772 1.00 0.00 C ATOM 694 C PHE A 47 6.619 6.080 9.681 1.00 0.00 C ATOM 695 O PHE A 47 6.216 4.917 9.710 1.00 0.00 O ATOM 696 CB PHE A 47 5.525 7.942 8.414 1.00 0.00 C ATOM 697 CG PHE A 47 4.656 9.167 8.439 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.320 9.079 8.794 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.177 10.408 8.108 1.00 0.00 C ATOM 700 CE1 PHE A 47 2.520 10.205 8.818 1.00 0.00 C ATOM 701 CE2 PHE A 47 4.382 11.538 8.131 1.00 0.00 C ATOM 702 CZ PHE A 47 3.051 11.436 8.486 1.00 0.00 C ATOM 0 H PHE A 47 6.308 9.127 10.424 1.00 0.00 H new ATOM 0 HA PHE A 47 4.667 6.858 10.059 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.521 8.220 8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.122 7.235 7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.899 8.119 9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.217 10.493 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.480 10.123 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.801 12.499 7.872 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.427 12.317 8.504 1.00 0.00 H new ATOM 712 N GLN A 48 7.906 6.393 9.571 1.00 0.00 N ATOM 713 CA GLN A 48 8.932 5.361 9.479 1.00 0.00 C ATOM 714 C GLN A 48 9.091 4.633 10.811 1.00 0.00 C ATOM 715 O GLN A 48 9.210 3.407 10.850 1.00 0.00 O ATOM 716 CB GLN A 48 10.271 5.968 9.047 1.00 0.00 C ATOM 717 CG GLN A 48 10.646 7.236 9.799 1.00 0.00 C ATOM 718 CD GLN A 48 11.954 7.105 10.552 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.033 7.235 9.973 1.00 0.00 O ATOM 720 NE2 GLN A 48 11.866 6.846 11.852 1.00 0.00 N ATOM 0 H GLN A 48 8.262 7.348 9.543 1.00 0.00 H new ATOM 0 HA GLN A 48 8.616 4.639 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.057 5.227 9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.231 6.189 7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.719 8.064 9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.851 7.485 10.501 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.951 6.746 12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.714 6.747 12.411 1.00 0.00 H new ATOM 729 N GLN A 49 9.091 5.394 11.900 1.00 0.00 N ATOM 730 CA GLN A 49 9.235 4.820 13.233 1.00 0.00 C ATOM 731 C GLN A 49 8.070 3.889 13.552 1.00 0.00 C ATOM 732 O GLN A 49 8.270 2.750 13.972 1.00 0.00 O ATOM 733 CB GLN A 49 9.326 5.928 14.284 1.00 0.00 C ATOM 734 CG GLN A 49 10.419 5.698 15.314 1.00 0.00 C ATOM 735 CD GLN A 49 10.495 6.811 16.341 1.00 0.00 C ATOM 736 OE1 GLN A 49 9.767 6.807 17.334 1.00 0.00 O ATOM 737 NE2 GLN A 49 11.379 7.774 16.107 1.00 0.00 N ATOM 0 H GLN A 49 8.993 6.409 11.886 1.00 0.00 H new ATOM 0 HA GLN A 49 10.156 4.238 13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.504 6.879 13.783 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.367 6.012 14.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.240 4.751 15.823 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.379 5.611 14.806 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.963 7.738 15.271 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.474 8.549 16.763 1.00 0.00 H new ATOM 746 N ILE A 50 6.850 4.380 13.348 1.00 0.00 N ATOM 747 CA ILE A 50 5.659 3.582 13.612 1.00 0.00 C ATOM 748 C ILE A 50 5.668 2.311 12.771 1.00 0.00 C ATOM 749 O ILE A 50 5.273 1.241 13.233 1.00 0.00 O ATOM 750 CB ILE A 50 4.364 4.386 13.342 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.183 3.758 14.087 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.068 4.485 11.850 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.797 2.389 13.573 1.00 0.00 C ATOM 0 H ILE A 50 6.662 5.321 13.003 1.00 0.00 H new ATOM 0 HA ILE A 50 5.675 3.311 14.668 1.00 0.00 H new ATOM 0 HB ILE A 50 4.515 5.399 13.714 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.432 3.682 15.145 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.322 4.421 14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.152 5.056 11.698 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.895 4.986 11.347 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.945 3.484 11.436 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.954 2.008 14.149 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.516 2.461 12.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.643 1.710 13.676 1.00 0.00 H new ATOM 765 N TYR A 51 6.133 2.440 11.532 1.00 0.00 N ATOM 766 CA TYR A 51 6.205 1.303 10.624 1.00 0.00 C ATOM 767 C TYR A 51 7.109 0.216 11.191 1.00 0.00 C ATOM 768 O TYR A 51 6.812 -0.973 11.083 1.00 0.00 O ATOM 769 CB TYR A 51 6.718 1.750 9.251 1.00 0.00 C ATOM 770 CG TYR A 51 6.898 0.614 8.269 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.805 -0.107 7.801 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.160 0.260 7.811 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.966 -1.145 6.906 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.329 -0.779 6.915 1.00 0.00 C ATOM 775 CZ TYR A 51 7.229 -1.478 6.466 1.00 0.00 C ATOM 776 OH TYR A 51 7.393 -2.513 5.574 1.00 0.00 O ATOM 0 H TYR A 51 6.465 3.319 11.135 1.00 0.00 H new ATOM 0 HA TYR A 51 5.201 0.893 10.510 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.020 2.474 8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.671 2.263 9.379 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.813 0.150 8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.024 0.806 8.161 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.106 -1.694 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.318 -1.042 6.569 1.00 0.00 H new ATOM 0 HH TYR A 51 7.344 -3.367 6.052 1.00 0.00 H new ATOM 786 N TYR A 52 8.215 0.636 11.796 1.00 0.00 N ATOM 787 CA TYR A 52 9.168 -0.300 12.380 1.00 0.00 C ATOM 788 C TYR A 52 8.582 -1.004 13.600 1.00 0.00 C ATOM 789 O TYR A 52 8.851 -2.180 13.835 1.00 0.00 O ATOM 790 CB TYR A 52 10.457 0.426 12.766 1.00 0.00 C ATOM 791 CG TYR A 52 11.495 0.440 11.668 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.233 1.048 10.446 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.735 -0.158 11.850 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.179 1.061 9.439 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.686 -0.149 10.848 1.00 0.00 C ATOM 796 CZ TYR A 52 13.403 0.462 9.644 1.00 0.00 C ATOM 797 OH TYR A 52 14.347 0.471 8.644 1.00 0.00 O ATOM 0 H TYR A 52 8.473 1.618 11.895 1.00 0.00 H new ATOM 0 HA TYR A 52 9.393 -1.056 11.628 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.217 1.453 13.041 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.882 -0.050 13.650 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.275 1.518 10.281 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.960 -0.638 12.791 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.960 1.539 8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.646 -0.618 11.006 1.00 0.00 H new ATOM 0 HH TYR A 52 15.154 0.007 8.952 1.00 0.00 H new ATOM 807 N ALA A 53 7.781 -0.280 14.376 1.00 0.00 N ATOM 808 CA ALA A 53 7.171 -0.853 15.570 1.00 0.00 C ATOM 809 C ALA A 53 6.109 -1.879 15.199 1.00 0.00 C ATOM 810 O ALA A 53 6.142 -3.019 15.663 1.00 0.00 O ATOM 811 CB ALA A 53 6.569 0.244 16.434 1.00 0.00 C ATOM 0 H ALA A 53 7.541 0.696 14.201 1.00 0.00 H new ATOM 0 HA ALA A 53 7.949 -1.361 16.140 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.117 -0.199 17.322 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.351 0.941 16.734 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.806 0.777 15.866 1.00 0.00 H new ATOM 817 N TYR A 54 5.177 -1.471 14.348 1.00 0.00 N ATOM 818 CA TYR A 54 4.112 -2.361 13.900 1.00 0.00 C ATOM 819 C TYR A 54 4.607 -3.310 12.804 1.00 0.00 C ATOM 820 O TYR A 54 3.842 -4.128 12.291 1.00 0.00 O ATOM 821 CB TYR A 54 2.892 -1.544 13.433 1.00 0.00 C ATOM 822 CG TYR A 54 2.752 -1.401 11.931 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.158 -2.399 11.169 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.203 -0.261 11.278 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.021 -2.268 9.800 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.069 -0.122 9.911 1.00 0.00 C ATOM 827 CZ TYR A 54 2.480 -1.128 9.177 1.00 0.00 C ATOM 828 OH TYR A 54 2.345 -0.992 7.814 1.00 0.00 O ATOM 0 H TYR A 54 5.136 -0.531 13.954 1.00 0.00 H new ATOM 0 HA TYR A 54 3.802 -2.978 14.743 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.989 -2.013 13.824 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.950 -0.549 13.873 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.797 -3.293 11.655 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.666 0.530 11.849 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.557 -3.054 9.222 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.424 0.771 9.419 1.00 0.00 H new ATOM 0 HH TYR A 54 3.220 -0.802 7.416 1.00 0.00 H new ATOM 838 N ARG A 55 5.888 -3.203 12.446 1.00 0.00 N ATOM 839 CA ARG A 55 6.467 -4.053 11.411 1.00 0.00 C ATOM 840 C ARG A 55 6.212 -5.528 11.711 1.00 0.00 C ATOM 841 O ARG A 55 6.971 -6.166 12.441 1.00 0.00 O ATOM 842 CB ARG A 55 7.972 -3.796 11.293 1.00 0.00 C ATOM 843 CG ARG A 55 8.455 -3.660 9.858 1.00 0.00 C ATOM 844 CD ARG A 55 9.761 -4.405 9.633 1.00 0.00 C ATOM 845 NE ARG A 55 10.849 -3.859 10.443 1.00 0.00 N ATOM 846 CZ ARG A 55 12.072 -4.383 10.491 1.00 0.00 C ATOM 847 NH1 ARG A 55 12.365 -5.465 9.780 1.00 0.00 N ATOM 848 NH2 ARG A 55 13.002 -3.824 11.252 1.00 0.00 N ATOM 0 H ARG A 55 6.541 -2.537 12.858 1.00 0.00 H new ATOM 0 HA ARG A 55 5.988 -3.806 10.463 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.221 -2.886 11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.510 -4.613 11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.694 -4.046 9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.591 -2.606 9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.623 -5.459 9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.032 -4.352 8.579 1.00 0.00 H new ATOM 0 HE ARG A 55 10.660 -3.028 11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.652 -5.899 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.303 -5.863 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.781 -2.993 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.939 -4.225 11.289 1.00 0.00 H new ATOM 862 N SER A 56 5.135 -6.055 11.140 1.00 0.00 N ATOM 863 CA SER A 56 4.760 -7.450 11.336 1.00 0.00 C ATOM 864 C SER A 56 3.444 -7.756 10.628 1.00 0.00 C ATOM 865 O SER A 56 3.249 -8.851 10.102 1.00 0.00 O ATOM 866 CB SER A 56 4.636 -7.767 12.830 1.00 0.00 C ATOM 867 OG SER A 56 5.321 -8.964 13.155 1.00 0.00 O ATOM 0 H SER A 56 4.502 -5.533 10.534 1.00 0.00 H new ATOM 0 HA SER A 56 5.542 -8.076 10.907 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.042 -6.942 13.415 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.584 -7.862 13.099 1.00 0.00 H new ATOM 0 HG SER A 56 5.229 -9.144 14.114 1.00 0.00 H new ATOM 873 N VAL A 57 2.546 -6.776 10.618 1.00 0.00 N ATOM 874 CA VAL A 57 1.246 -6.932 9.976 1.00 0.00 C ATOM 875 C VAL A 57 1.362 -6.806 8.459 1.00 0.00 C ATOM 876 O VAL A 57 0.997 -7.721 7.722 1.00 0.00 O ATOM 877 CB VAL A 57 0.238 -5.888 10.490 1.00 0.00 C ATOM 878 CG1 VAL A 57 -1.159 -6.195 9.973 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.253 -5.829 12.011 1.00 0.00 C ATOM 0 H VAL A 57 2.696 -5.863 11.048 1.00 0.00 H new ATOM 0 HA VAL A 57 0.886 -7.930 10.228 1.00 0.00 H new ATOM 0 HB VAL A 57 0.533 -4.909 10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.858 -5.447 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.156 -6.176 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.466 -7.182 10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.466 -5.085 12.353 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.014 -6.805 12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.250 -5.554 12.355 1.00 0.00 H new ATOM 889 N TRP A 58 1.868 -5.665 8.000 1.00 0.00 N ATOM 890 CA TRP A 58 2.027 -5.422 6.570 1.00 0.00 C ATOM 891 C TRP A 58 3.112 -6.321 5.981 1.00 0.00 C ATOM 892 O TRP A 58 2.817 -7.293 5.288 1.00 0.00 O ATOM 893 CB TRP A 58 2.365 -3.950 6.314 1.00 0.00 C ATOM 894 CG TRP A 58 1.552 -3.319 5.217 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.257 -1.994 5.082 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.935 -3.982 4.105 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.496 -1.790 3.956 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.285 -2.995 3.340 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.868 -5.312 3.679 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -0.420 -3.296 2.176 1.00 0.00 C ATOM 901 CZ3 TRP A 58 0.169 -5.609 2.524 1.00 0.00 C ATOM 902 CH2 TRP A 58 -0.467 -4.604 1.785 1.00 0.00 C ATOM 0 H TRP A 58 2.174 -4.896 8.596 1.00 0.00 H new ATOM 0 HA TRP A 58 1.083 -5.658 6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.213 -3.387 7.235 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.422 -3.869 6.062 1.00 0.00 H new ATOM 0 HD1 TRP A 58 1.575 -1.218 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.146 -0.889 3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.354 -6.094 4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.911 -2.523 1.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.112 -6.633 2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.006 -4.868 0.887 1.00 0.00 H new ATOM 913 N HIS A 59 4.370 -5.990 6.260 1.00 0.00 N ATOM 914 CA HIS A 59 5.494 -6.770 5.752 1.00 0.00 C ATOM 915 C HIS A 59 6.749 -6.540 6.595 1.00 0.00 C ATOM 916 O HIS A 59 7.319 -5.450 6.580 1.00 0.00 O ATOM 917 CB HIS A 59 5.774 -6.402 4.294 1.00 0.00 C ATOM 918 CG HIS A 59 6.506 -7.467 3.538 1.00 0.00 C ATOM 919 ND1 HIS A 59 5.990 -8.727 3.323 1.00 0.00 N ATOM 920 CD2 HIS A 59 7.722 -7.453 2.943 1.00 0.00 C ATOM 921 CE1 HIS A 59 6.857 -9.443 2.630 1.00 0.00 C ATOM 922 NE2 HIS A 59 7.916 -8.694 2.387 1.00 0.00 N ATOM 0 H HIS A 59 4.636 -5.189 6.833 1.00 0.00 H new ATOM 0 HA HIS A 59 5.228 -7.825 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.829 -6.196 3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.357 -5.482 4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.411 -6.622 2.911 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.722 -10.467 2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.744 -8.989 1.870 1.00 0.00 H new ATOM 931 N PRO A 60 7.199 -7.566 7.342 1.00 0.00 N ATOM 932 CA PRO A 60 8.395 -7.459 8.189 1.00 0.00 C ATOM 933 C PRO A 60 9.662 -7.212 7.373 1.00 0.00 C ATOM 934 O PRO A 60 10.469 -8.118 7.170 1.00 0.00 O ATOM 935 CB PRO A 60 8.471 -8.822 8.893 1.00 0.00 C ATOM 936 CG PRO A 60 7.121 -9.431 8.725 1.00 0.00 C ATOM 937 CD PRO A 60 6.588 -8.901 7.426 1.00 0.00 C ATOM 0 HA PRO A 60 8.326 -6.617 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.243 -9.451 8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.721 -8.706 9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.183 -10.519 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.466 -9.163 9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.875 -9.531 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.499 -8.848 7.427 1.00 0.00 H new ATOM 945 N ALA A 61 9.828 -5.978 6.906 1.00 0.00 N ATOM 946 CA ALA A 61 10.998 -5.615 6.113 1.00 0.00 C ATOM 947 C ALA A 61 11.000 -4.126 5.784 1.00 0.00 C ATOM 948 O ALA A 61 9.978 -3.450 5.914 1.00 0.00 O ATOM 949 CB ALA A 61 11.046 -6.439 4.835 1.00 0.00 C ATOM 0 H ALA A 61 9.170 -5.215 7.062 1.00 0.00 H new ATOM 0 HA ALA A 61 11.887 -5.830 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.924 -6.158 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.102 -7.498 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.147 -6.253 4.248 1.00 0.00 H new ATOM 955 N ARG A 62 12.153 -3.621 5.357 1.00 0.00 N ATOM 956 CA ARG A 62 12.288 -2.211 5.007 1.00 0.00 C ATOM 957 C ARG A 62 11.329 -1.835 3.883 1.00 0.00 C ATOM 958 O ARG A 62 11.388 -2.398 2.790 1.00 0.00 O ATOM 959 CB ARG A 62 13.727 -1.904 4.587 1.00 0.00 C ATOM 960 CG ARG A 62 14.685 -1.755 5.759 1.00 0.00 C ATOM 961 CD ARG A 62 15.450 -0.441 5.694 1.00 0.00 C ATOM 962 NE ARG A 62 16.318 -0.372 4.521 1.00 0.00 N ATOM 963 CZ ARG A 62 17.509 -0.961 4.443 1.00 0.00 C ATOM 964 NH1 ARG A 62 17.977 -1.664 5.465 1.00 0.00 N ATOM 965 NH2 ARG A 62 18.233 -0.846 3.339 1.00 0.00 N ATOM 0 H ARG A 62 13.007 -4.167 5.245 1.00 0.00 H new ATOM 0 HA ARG A 62 12.038 -1.619 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.084 -2.701 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.737 -0.985 4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.127 -1.806 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.389 -2.587 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.744 0.389 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.050 -0.325 6.597 1.00 0.00 H new ATOM 0 HE ARG A 62 15.992 0.159 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.424 -1.756 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.890 -2.113 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.877 -0.306 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.146 -1.297 3.278 1.00 0.00 H new ATOM 979 N THR A 63 10.447 -0.881 4.158 1.00 0.00 N ATOM 980 CA THR A 63 9.476 -0.431 3.168 1.00 0.00 C ATOM 981 C THR A 63 8.894 0.928 3.552 1.00 0.00 C ATOM 982 O THR A 63 7.710 1.186 3.348 1.00 0.00 O ATOM 983 CB THR A 63 8.350 -1.456 3.024 1.00 0.00 C ATOM 984 OG1 THR A 63 8.794 -2.747 3.401 1.00 0.00 O ATOM 985 CG2 THR A 63 7.805 -1.551 1.615 1.00 0.00 C ATOM 0 H THR A 63 10.384 -0.405 5.058 1.00 0.00 H new ATOM 0 HA THR A 63 9.991 -0.329 2.213 1.00 0.00 H new ATOM 0 HB THR A 63 7.555 -1.105 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.632 -2.882 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.010 -2.296 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.408 -0.582 1.312 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.605 -1.844 0.935 1.00 0.00 H new ATOM 993 N VAL A 64 9.738 1.792 4.108 1.00 0.00 N ATOM 994 CA VAL A 64 9.303 3.121 4.517 1.00 0.00 C ATOM 995 C VAL A 64 8.771 3.912 3.326 1.00 0.00 C ATOM 996 O VAL A 64 7.822 4.683 3.456 1.00 0.00 O ATOM 997 CB VAL A 64 10.446 3.908 5.188 1.00 0.00 C ATOM 998 CG1 VAL A 64 9.975 5.291 5.616 1.00 0.00 C ATOM 999 CG2 VAL A 64 10.991 3.133 6.377 1.00 0.00 C ATOM 0 H VAL A 64 10.723 1.596 4.285 1.00 0.00 H new ATOM 0 HA VAL A 64 8.501 2.985 5.243 1.00 0.00 H new ATOM 0 HB VAL A 64 11.248 4.038 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.799 5.827 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.634 5.846 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.154 5.192 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.798 3.700 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.194 2.973 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.372 2.169 6.039 1.00 0.00 H new ATOM 1009 N SER A 65 9.381 3.706 2.163 1.00 0.00 N ATOM 1010 CA SER A 65 8.955 4.393 0.950 1.00 0.00 C ATOM 1011 C SER A 65 7.504 4.059 0.640 1.00 0.00 C ATOM 1012 O SER A 65 6.678 4.946 0.424 1.00 0.00 O ATOM 1013 CB SER A 65 9.848 4.003 -0.230 1.00 0.00 C ATOM 1014 OG SER A 65 11.168 4.490 -0.054 1.00 0.00 O ATOM 0 H SER A 65 10.169 3.071 2.036 1.00 0.00 H new ATOM 0 HA SER A 65 9.044 5.467 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.868 2.918 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.430 4.402 -1.154 1.00 0.00 H new ATOM 0 HG SER A 65 11.719 4.226 -0.820 1.00 0.00 H new ATOM 1020 N GLN A 66 7.197 2.768 0.645 1.00 0.00 N ATOM 1021 CA GLN A 66 5.842 2.300 0.389 1.00 0.00 C ATOM 1022 C GLN A 66 4.890 2.866 1.438 1.00 0.00 C ATOM 1023 O GLN A 66 3.720 3.125 1.160 1.00 0.00 O ATOM 1024 CB GLN A 66 5.793 0.771 0.398 1.00 0.00 C ATOM 1025 CG GLN A 66 5.079 0.179 -0.806 1.00 0.00 C ATOM 1026 CD GLN A 66 5.116 -1.336 -0.820 1.00 0.00 C ATOM 1027 OE1 GLN A 66 5.763 -1.946 -1.672 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.423 -1.954 0.128 1.00 0.00 N ATOM 0 H GLN A 66 7.872 2.024 0.824 1.00 0.00 H new ATOM 0 HA GLN A 66 5.531 2.648 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.811 0.383 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.293 0.437 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.042 0.513 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.539 0.558 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.901 -1.410 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.413 -2.973 0.170 1.00 0.00 H new ATOM 1037 N LEU A 67 5.410 3.056 2.646 1.00 0.00 N ATOM 1038 CA LEU A 67 4.618 3.594 3.743 1.00 0.00 C ATOM 1039 C LEU A 67 4.188 5.019 3.439 1.00 0.00 C ATOM 1040 O LEU A 67 3.008 5.357 3.528 1.00 0.00 O ATOM 1041 CB LEU A 67 5.439 3.558 5.037 1.00 0.00 C ATOM 1042 CG LEU A 67 4.638 3.536 6.341 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.518 4.565 6.310 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.088 2.143 6.603 1.00 0.00 C ATOM 0 H LEU A 67 6.378 2.845 2.889 1.00 0.00 H new ATOM 0 HA LEU A 67 3.724 2.982 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.080 2.676 5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.095 4.428 5.052 1.00 0.00 H new ATOM 0 HG LEU A 67 5.309 3.799 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.964 4.529 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.942 5.560 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.844 4.344 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.521 2.145 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.435 1.849 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.913 1.435 6.682 1.00 0.00 H new ATOM 1056 N TYR A 68 5.147 5.844 3.061 1.00 0.00 N ATOM 1057 CA TYR A 68 4.866 7.230 2.724 1.00 0.00 C ATOM 1058 C TYR A 68 3.909 7.290 1.538 1.00 0.00 C ATOM 1059 O TYR A 68 3.152 8.247 1.381 1.00 0.00 O ATOM 1060 CB TYR A 68 6.162 7.974 2.398 1.00 0.00 C ATOM 1061 CG TYR A 68 7.001 8.314 3.615 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.922 7.561 4.783 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.877 9.393 3.591 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.691 7.874 5.888 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.650 9.710 4.692 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.552 8.949 5.837 1.00 0.00 C ATOM 1067 OH TYR A 68 9.319 9.263 6.935 1.00 0.00 O ATOM 0 H TYR A 68 6.129 5.579 2.979 1.00 0.00 H new ATOM 0 HA TYR A 68 4.399 7.713 3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.757 7.365 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.917 8.895 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.248 6.718 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.955 9.994 2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.618 7.279 6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.328 10.550 4.655 1.00 0.00 H new ATOM 0 HH TYR A 68 9.872 10.047 6.734 1.00 0.00 H new ATOM 1077 N ASP A 69 3.966 6.258 0.702 1.00 0.00 N ATOM 1078 CA ASP A 69 3.123 6.176 -0.480 1.00 0.00 C ATOM 1079 C ASP A 69 1.652 6.037 -0.125 1.00 0.00 C ATOM 1080 O ASP A 69 0.810 6.769 -0.650 1.00 0.00 O ATOM 1081 CB ASP A 69 3.550 4.988 -1.340 1.00 0.00 C ATOM 1082 CG ASP A 69 4.733 5.311 -2.232 1.00 0.00 C ATOM 1083 OD1 ASP A 69 5.515 6.219 -1.875 1.00 0.00 O ATOM 1084 OD2 ASP A 69 4.878 4.657 -3.286 1.00 0.00 O ATOM 0 H ASP A 69 4.593 5.463 0.825 1.00 0.00 H new ATOM 0 HA ASP A 69 3.248 7.107 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.806 4.149 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.710 4.670 -1.957 1.00 0.00 H new ATOM 1089 N HIS A 70 1.337 5.098 0.755 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.050 4.892 1.144 1.00 0.00 C ATOM 1091 C HIS A 70 -0.489 5.922 2.177 1.00 0.00 C ATOM 1092 O HIS A 70 -1.684 6.123 2.396 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.284 3.463 1.638 1.00 0.00 C ATOM 1094 CG HIS A 70 0.480 3.097 2.860 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.257 1.964 2.935 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.573 3.700 4.063 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.793 1.883 4.133 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.394 2.925 4.840 1.00 0.00 N ATOM 0 H HIS A 70 2.009 4.477 1.206 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.669 5.033 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.347 3.331 1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.021 2.769 0.840 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.395 1.292 2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.091 4.620 4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.448 1.098 4.480 1.00 0.00 H new ATOM 1107 N TRP A 71 0.479 6.605 2.781 1.00 0.00 N ATOM 1108 CA TRP A 71 0.175 7.645 3.752 1.00 0.00 C ATOM 1109 C TRP A 71 -0.045 8.966 3.023 1.00 0.00 C ATOM 1110 O TRP A 71 -0.847 9.800 3.446 1.00 0.00 O ATOM 1111 CB TRP A 71 1.303 7.788 4.776 1.00 0.00 C ATOM 1112 CG TRP A 71 0.857 7.604 6.198 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.591 7.071 7.219 1.00 0.00 C ATOM 1114 CD2 TRP A 71 -0.417 7.953 6.760 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.854 7.064 8.378 1.00 0.00 N ATOM 1116 CE2 TRP A 71 -0.380 7.599 8.123 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -1.583 8.529 6.247 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -1.463 7.804 8.975 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -2.656 8.729 7.094 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -2.589 8.368 8.445 1.00 0.00 C ATOM 0 H TRP A 71 1.474 6.457 2.615 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.731 7.368 4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.080 7.057 4.551 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.754 8.775 4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.604 6.708 7.128 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.174 6.717 9.282 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.644 8.813 5.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.414 7.527 10.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -3.562 9.171 6.707 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -3.445 8.539 9.081 1.00 0.00 H new ATOM 1131 N ARG A 72 0.664 9.143 1.907 1.00 0.00 N ATOM 1132 CA ARG A 72 0.535 10.353 1.108 1.00 0.00 C ATOM 1133 C ARG A 72 -0.745 10.301 0.283 1.00 0.00 C ATOM 1134 O ARG A 72 -1.376 11.326 0.028 1.00 0.00 O ATOM 1135 CB ARG A 72 1.748 10.518 0.189 1.00 0.00 C ATOM 1136 CG ARG A 72 1.757 11.833 -0.573 1.00 0.00 C ATOM 1137 CD ARG A 72 1.180 11.673 -1.970 1.00 0.00 C ATOM 1138 NE ARG A 72 1.301 12.897 -2.756 1.00 0.00 N ATOM 1139 CZ ARG A 72 0.670 13.102 -3.911 1.00 0.00 C ATOM 1140 NH1 ARG A 72 -0.127 12.168 -4.413 1.00 0.00 N ATOM 1141 NH2 ARG A 72 0.835 14.245 -4.563 1.00 0.00 N ATOM 0 H ARG A 72 1.330 8.463 1.540 1.00 0.00 H new ATOM 0 HA ARG A 72 0.489 11.211 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.658 10.446 0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.768 9.694 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.180 12.577 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.778 12.208 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.694 10.860 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.130 11.391 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 72 1.904 13.639 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.259 11.288 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.608 12.330 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.445 14.967 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.352 14.402 -5.447 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.123 9.093 -0.126 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.329 8.919 -0.912 1.00 0.00 C ATOM 1157 C GLY A 73 -3.576 8.914 -0.052 1.00 0.00 C ATOM 1158 O GLY A 73 -4.597 9.493 -0.424 1.00 0.00 O ATOM 0 H GLY A 73 -0.614 8.232 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.400 9.720 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.268 7.982 -1.466 1.00 0.00 H new ATOM 1162 N THR A 74 -3.497 8.262 1.106 1.00 0.00 N ATOM 1163 CA THR A 74 -4.631 8.191 2.019 1.00 0.00 C ATOM 1164 C THR A 74 -4.942 9.567 2.597 1.00 0.00 C ATOM 1165 O THR A 74 -6.102 9.974 2.669 1.00 0.00 O ATOM 1166 CB THR A 74 -4.344 7.198 3.149 1.00 0.00 C ATOM 1167 OG1 THR A 74 -4.134 5.897 2.630 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.462 7.107 4.168 1.00 0.00 C ATOM 0 H THR A 74 -2.661 7.777 1.432 1.00 0.00 H new ATOM 0 HA THR A 74 -5.500 7.845 1.459 1.00 0.00 H new ATOM 0 HB THR A 74 -3.451 7.578 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.295 5.878 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.193 6.386 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.619 8.085 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.379 6.785 3.674 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.898 10.285 3.004 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.063 11.616 3.571 1.00 0.00 C ATOM 1178 C LEU A 75 -4.102 12.673 2.470 1.00 0.00 C ATOM 1179 O LEU A 75 -5.125 13.324 2.257 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.927 11.923 4.550 1.00 0.00 C ATOM 1181 CG LEU A 75 -3.345 12.683 5.810 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -2.132 12.994 6.671 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -4.083 13.960 5.440 1.00 0.00 C ATOM 0 H LEU A 75 -2.931 9.966 2.951 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.011 11.640 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.461 10.984 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.166 12.504 4.029 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.021 12.052 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.448 13.535 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.646 12.064 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.431 13.607 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.373 14.489 6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.431 14.597 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.974 13.711 4.864 1.00 0.00 H new ATOM 1195 N ARG A 76 -2.983 12.834 1.773 1.00 0.00 N ATOM 1196 CA ARG A 76 -2.888 13.807 0.691 1.00 0.00 C ATOM 1197 C ARG A 76 -3.182 15.217 1.197 1.00 0.00 C ATOM 1198 O ARG A 76 -3.481 15.414 2.375 1.00 0.00 O ATOM 1199 CB ARG A 76 -3.857 13.443 -0.436 1.00 0.00 C ATOM 1200 CG ARG A 76 -3.235 13.515 -1.821 1.00 0.00 C ATOM 1201 CD ARG A 76 -4.224 13.104 -2.899 1.00 0.00 C ATOM 1202 NE ARG A 76 -4.931 14.253 -3.460 1.00 0.00 N ATOM 1203 CZ ARG A 76 -4.406 15.075 -4.365 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -3.173 14.879 -4.814 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -5.115 16.098 -4.821 1.00 0.00 N ATOM 0 H ARG A 76 -2.128 12.303 1.938 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.869 13.786 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.234 12.434 -0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.715 14.114 -0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.888 14.530 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.360 12.866 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.695 12.580 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.946 12.403 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.882 14.436 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.622 14.095 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.776 15.513 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.063 16.255 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.713 16.728 -5.515 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.095 16.192 0.299 1.00 0.00 N ATOM 1220 CA TYR A 77 -3.353 17.584 0.652 1.00 0.00 C ATOM 1221 C TYR A 77 -2.367 18.069 1.711 1.00 0.00 C ATOM 1222 O TYR A 77 -2.551 17.825 2.904 1.00 0.00 O ATOM 1223 CB TYR A 77 -4.789 17.746 1.158 1.00 0.00 C ATOM 1224 CG TYR A 77 -5.625 18.685 0.316 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -6.283 18.229 -0.820 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -5.755 20.025 0.656 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -7.048 19.082 -1.592 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -6.518 20.885 -0.110 1.00 0.00 C ATOM 1229 CZ TYR A 77 -7.162 20.409 -1.232 1.00 0.00 C ATOM 1230 OH TYR A 77 -7.923 21.262 -1.998 1.00 0.00 O ATOM 0 H TYR A 77 -2.848 16.044 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.221 18.191 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.269 16.768 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.765 18.115 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.195 17.191 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.251 20.401 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.554 18.712 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.609 21.924 0.169 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.900 22.161 -1.608 1.00 0.00 H new ATOM 1240 N LYS A 78 -1.321 18.759 1.266 1.00 0.00 N ATOM 1241 CA LYS A 78 -0.306 19.281 2.175 1.00 0.00 C ATOM 1242 C LYS A 78 -0.309 20.806 2.176 1.00 0.00 C ATOM 1243 O LYS A 78 -0.069 21.438 3.206 1.00 0.00 O ATOM 1244 CB LYS A 78 1.078 18.761 1.782 1.00 0.00 C ATOM 1245 CG LYS A 78 1.340 18.803 0.286 1.00 0.00 C ATOM 1246 CD LYS A 78 0.945 17.496 -0.382 1.00 0.00 C ATOM 1247 CE LYS A 78 1.149 17.556 -1.889 1.00 0.00 C ATOM 1248 NZ LYS A 78 2.552 17.913 -2.247 1.00 0.00 N ATOM 0 H LYS A 78 -1.154 18.970 0.282 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.543 18.935 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.838 19.353 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.185 17.734 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.781 19.625 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.396 19.001 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.536 16.680 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.100 17.276 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.897 16.591 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.467 18.290 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.704 17.747 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.721 18.916 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.211 17.325 -1.698 1.00 0.00 H new ATOM 1262 N VAL A 79 -0.581 21.395 1.015 1.00 0.00 N ATOM 1263 CA VAL A 79 -0.614 22.845 0.882 1.00 0.00 C ATOM 1264 C VAL A 79 -1.903 23.307 0.209 1.00 0.00 C ATOM 1265 O VAL A 79 -2.565 22.533 -0.484 1.00 0.00 O ATOM 1266 CB VAL A 79 0.592 23.362 0.073 1.00 0.00 C ATOM 1267 CG1 VAL A 79 0.577 22.793 -1.339 1.00 0.00 C ATOM 1268 CG2 VAL A 79 0.608 24.884 0.044 1.00 0.00 C ATOM 0 H VAL A 79 -0.782 20.888 0.153 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.568 23.257 1.890 1.00 0.00 H new ATOM 0 HB VAL A 79 1.504 23.023 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.437 23.171 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.624 21.705 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.341 23.095 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.467 25.228 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.309 25.249 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.677 25.267 1.062 1.00 0.00 H new ATOM 1278 N ILE A 80 -2.257 24.571 0.420 1.00 0.00 N ATOM 1279 CA ILE A 80 -3.467 25.134 -0.165 1.00 0.00 C ATOM 1280 C ILE A 80 -3.269 26.603 -0.526 1.00 0.00 C ATOM 1281 O ILE A 80 -2.655 27.359 0.225 1.00 0.00 O ATOM 1282 CB ILE A 80 -4.667 25.010 0.792 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -4.753 23.590 1.357 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -5.957 25.380 0.075 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -5.893 23.396 2.332 1.00 0.00 C ATOM 0 H ILE A 80 -1.722 25.224 0.992 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.675 24.563 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.524 25.702 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.867 22.886 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.814 23.348 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.796 25.287 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.893 26.408 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.108 24.710 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.893 22.367 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.770 24.075 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.839 23.606 1.832 1.00 0.00 H new ATOM 1297 N GLN A 81 -3.796 27.001 -1.679 1.00 0.00 N ATOM 1298 CA GLN A 81 -3.678 28.379 -2.140 1.00 0.00 C ATOM 1299 C GLN A 81 -2.215 28.770 -2.324 1.00 0.00 C ATOM 1300 O GLN A 81 -1.462 28.870 -1.356 1.00 0.00 O ATOM 1301 CB GLN A 81 -4.351 29.330 -1.146 1.00 0.00 C ATOM 1302 CG GLN A 81 -5.131 30.453 -1.811 1.00 0.00 C ATOM 1303 CD GLN A 81 -4.434 31.794 -1.699 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -3.206 31.868 -1.670 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -5.218 32.864 -1.634 1.00 0.00 N ATOM 0 H GLN A 81 -4.310 26.388 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.179 28.457 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.026 28.758 -0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.589 29.763 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.281 30.212 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.119 30.522 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.232 32.756 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.806 33.794 -1.557 1.00 0.00 H new ATOM 1314 N GLN A 82 -1.821 28.991 -3.575 1.00 0.00 N ATOM 1315 CA GLN A 82 -0.448 29.371 -3.887 1.00 0.00 C ATOM 1316 C GLN A 82 -0.381 30.115 -5.218 1.00 0.00 C ATOM 1317 O GLN A 82 -1.339 30.109 -5.992 1.00 0.00 O ATOM 1318 CB GLN A 82 0.448 28.132 -3.935 1.00 0.00 C ATOM 1319 CG GLN A 82 1.825 28.356 -3.331 1.00 0.00 C ATOM 1320 CD GLN A 82 2.728 27.144 -3.471 1.00 0.00 C ATOM 1321 OE1 GLN A 82 3.222 26.606 -2.481 1.00 0.00 O ATOM 1322 NE2 GLN A 82 2.945 26.707 -4.705 1.00 0.00 N ATOM 0 H GLN A 82 -2.433 28.913 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.092 30.036 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.044 27.317 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.562 27.816 -4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.295 29.212 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.718 28.605 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.515 27.184 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.542 25.895 -4.861 1.00 0.00 H new ATOM 1331 N GLN A 83 0.754 30.754 -5.476 1.00 0.00 N ATOM 1332 CA GLN A 83 0.945 31.503 -6.713 1.00 0.00 C ATOM 1333 C GLN A 83 1.093 30.559 -7.902 1.00 0.00 C ATOM 1334 O GLN A 83 1.349 29.367 -7.732 1.00 0.00 O ATOM 1335 CB GLN A 83 2.176 32.407 -6.600 1.00 0.00 C ATOM 1336 CG GLN A 83 1.846 33.891 -6.610 1.00 0.00 C ATOM 1337 CD GLN A 83 1.391 34.394 -5.254 1.00 0.00 C ATOM 1338 OE1 GLN A 83 0.730 33.678 -4.503 1.00 0.00 O ATOM 1339 NE2 GLN A 83 1.744 35.635 -4.936 1.00 0.00 N ATOM 0 H GLN A 83 1.556 30.769 -4.846 1.00 0.00 H new ATOM 0 HA GLN A 83 0.064 32.123 -6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.708 32.168 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.853 32.189 -7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.725 34.453 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.064 34.081 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.293 36.193 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.466 36.030 -4.038 1.00 0.00 H new ATOM 1348 N GLY A 84 0.930 31.101 -9.104 1.00 0.00 N ATOM 1349 CA GLY A 84 1.048 30.292 -10.304 1.00 0.00 C ATOM 1350 C GLY A 84 2.313 30.595 -11.085 1.00 0.00 C ATOM 1351 O GLY A 84 3.223 31.250 -10.576 1.00 0.00 O ATOM 0 H GLY A 84 0.718 32.085 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.038 29.237 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.181 30.464 -10.942 1.00 0.00 H new ATOM 1355 N TYR A 85 2.370 30.119 -12.324 1.00 0.00 N ATOM 1356 CA TYR A 85 3.531 30.342 -13.176 1.00 0.00 C ATOM 1357 C TYR A 85 3.168 30.178 -14.648 1.00 0.00 C ATOM 1358 O TYR A 85 2.338 29.340 -15.004 1.00 0.00 O ATOM 1359 CB TYR A 85 4.656 29.373 -12.804 1.00 0.00 C ATOM 1360 CG TYR A 85 6.022 30.019 -12.754 1.00 0.00 C ATOM 1361 CD1 TYR A 85 6.236 31.179 -12.019 1.00 0.00 C ATOM 1362 CD2 TYR A 85 7.096 29.471 -13.443 1.00 0.00 C ATOM 1363 CE1 TYR A 85 7.483 31.773 -11.971 1.00 0.00 C ATOM 1364 CE2 TYR A 85 8.345 30.058 -13.400 1.00 0.00 C ATOM 1365 CZ TYR A 85 8.534 31.208 -12.663 1.00 0.00 C ATOM 1366 OH TYR A 85 9.777 31.797 -12.617 1.00 0.00 O ATOM 0 H TYR A 85 1.625 29.576 -12.760 1.00 0.00 H new ATOM 0 HA TYR A 85 3.874 31.365 -13.019 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.437 28.931 -11.832 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.675 28.558 -13.527 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.415 31.623 -11.477 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.952 28.571 -14.022 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.634 32.674 -11.395 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.170 29.619 -13.941 1.00 0.00 H new ATOM 0 HH TYR A 85 10.407 31.275 -13.157 1.00 0.00 H new ATOM 1376 N ARG A 86 3.792 30.985 -15.501 1.00 0.00 N ATOM 1377 CA ARG A 86 3.533 30.929 -16.935 1.00 0.00 C ATOM 1378 C ARG A 86 4.624 30.144 -17.655 1.00 0.00 C ATOM 1379 O ARG A 86 5.781 30.562 -17.695 1.00 0.00 O ATOM 1380 CB ARG A 86 3.439 32.343 -17.512 1.00 0.00 C ATOM 1381 CG ARG A 86 2.710 32.407 -18.844 1.00 0.00 C ATOM 1382 CD ARG A 86 3.620 32.904 -19.957 1.00 0.00 C ATOM 1383 NE ARG A 86 3.097 32.572 -21.280 1.00 0.00 N ATOM 1384 CZ ARG A 86 3.827 32.592 -22.394 1.00 0.00 C ATOM 1385 NH1 ARG A 86 5.110 32.927 -22.347 1.00 0.00 N ATOM 1386 NH2 ARG A 86 3.272 32.275 -23.556 1.00 0.00 N ATOM 0 H ARG A 86 4.480 31.685 -15.224 1.00 0.00 H new ATOM 0 HA ARG A 86 2.583 30.417 -17.088 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.928 32.986 -16.796 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.445 32.743 -17.638 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.329 31.418 -19.099 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.848 33.068 -18.756 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.737 33.984 -19.874 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.611 32.466 -19.838 1.00 0.00 H new ATOM 0 HE ARG A 86 2.114 32.309 -21.355 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.541 33.171 -21.455 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.665 32.941 -23.203 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.286 32.016 -23.597 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.831 32.290 -24.409 1.00 0.00 H new ATOM 1400 N GLY A 87 4.248 29.003 -18.223 1.00 0.00 N ATOM 1401 CA GLY A 87 5.206 28.176 -18.935 1.00 0.00 C ATOM 1402 C GLY A 87 4.536 27.134 -19.809 1.00 0.00 C ATOM 1403 O GLY A 87 4.907 25.960 -19.781 1.00 0.00 O ATOM 0 H GLY A 87 3.297 28.636 -18.203 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.840 28.811 -19.553 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.857 27.679 -18.216 1.00 0.00 H new ATOM 1407 N LYS A 88 3.547 27.563 -20.586 1.00 0.00 N ATOM 1408 CA LYS A 88 2.824 26.658 -21.472 1.00 0.00 C ATOM 1409 C LYS A 88 3.468 26.619 -22.854 1.00 0.00 C ATOM 1410 O LYS A 88 3.116 27.402 -23.737 1.00 0.00 O ATOM 1411 CB LYS A 88 1.361 27.089 -21.590 1.00 0.00 C ATOM 1412 CG LYS A 88 0.469 26.046 -22.248 1.00 0.00 C ATOM 1413 CD LYS A 88 0.056 26.465 -23.650 1.00 0.00 C ATOM 1414 CE LYS A 88 0.836 25.707 -24.713 1.00 0.00 C ATOM 1415 NZ LYS A 88 0.076 24.535 -25.227 1.00 0.00 N ATOM 0 H LYS A 88 3.228 28.531 -20.620 1.00 0.00 H new ATOM 0 HA LYS A 88 2.868 25.657 -21.043 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.975 27.309 -20.595 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.309 28.014 -22.164 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.996 25.093 -22.293 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.421 25.890 -21.638 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.011 26.287 -23.784 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.218 27.536 -23.773 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.071 26.378 -25.539 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.785 25.370 -24.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.641 24.045 -25.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.126 23.882 -24.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.818 24.859 -25.648 1.00 0.00 H new ATOM 1429 N ASN A 89 4.413 25.702 -23.035 1.00 0.00 N ATOM 1430 CA ASN A 89 5.106 25.560 -24.310 1.00 0.00 C ATOM 1431 C ASN A 89 4.809 24.205 -24.943 1.00 0.00 C ATOM 1432 O ASN A 89 4.143 24.123 -25.975 1.00 0.00 O ATOM 1433 CB ASN A 89 6.615 25.726 -24.115 1.00 0.00 C ATOM 1434 CG ASN A 89 7.268 26.469 -25.262 1.00 0.00 C ATOM 1435 OD1 ASN A 89 6.762 27.493 -25.722 1.00 0.00 O ATOM 1436 ND2 ASN A 89 8.398 25.956 -25.733 1.00 0.00 N ATOM 0 H ASN A 89 4.716 25.046 -22.315 1.00 0.00 H new ATOM 0 HA ASN A 89 4.745 26.340 -24.980 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.801 26.263 -23.185 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.076 24.743 -24.013 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.882 26.413 -26.506 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.782 25.105 -25.322 1.00 0.00 H new ATOM 1443 N SER A 90 5.308 23.143 -24.319 1.00 0.00 N ATOM 1444 CA SER A 90 5.096 21.791 -24.823 1.00 0.00 C ATOM 1445 C SER A 90 5.174 20.770 -23.692 1.00 0.00 C ATOM 1446 O SER A 90 6.179 20.685 -22.986 1.00 0.00 O ATOM 1447 CB SER A 90 6.131 21.457 -25.900 1.00 0.00 C ATOM 1448 OG SER A 90 5.622 21.723 -27.196 1.00 0.00 O ATOM 0 H SER A 90 5.862 23.192 -23.464 1.00 0.00 H new ATOM 0 HA SER A 90 4.099 21.746 -25.261 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.035 22.042 -25.734 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.413 20.407 -25.825 1.00 0.00 H new ATOM 0 HG SER A 90 5.043 22.513 -27.164 1.00 0.00 H new ATOM 1454 N VAL A 91 4.106 19.996 -23.525 1.00 0.00 N ATOM 1455 CA VAL A 91 4.054 18.982 -22.480 1.00 0.00 C ATOM 1456 C VAL A 91 4.806 17.723 -22.898 1.00 0.00 C ATOM 1457 O VAL A 91 5.367 17.015 -22.061 1.00 0.00 O ATOM 1458 CB VAL A 91 2.601 18.605 -22.134 1.00 0.00 C ATOM 1459 CG1 VAL A 91 2.561 17.699 -20.913 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.764 19.855 -21.908 1.00 0.00 C ATOM 0 H VAL A 91 3.266 20.052 -24.100 1.00 0.00 H new ATOM 0 HA VAL A 91 4.530 19.412 -21.599 1.00 0.00 H new ATOM 0 HB VAL A 91 2.176 18.059 -22.976 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.527 17.443 -20.684 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.123 16.788 -21.117 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.004 18.216 -20.062 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.741 19.569 -21.665 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.185 20.431 -21.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.765 20.462 -22.813 1.00 0.00 H new ATOM 1470 N ALA A 92 4.813 17.450 -24.199 1.00 0.00 N ATOM 1471 CA ALA A 92 5.496 16.275 -24.729 1.00 0.00 C ATOM 1472 C ALA A 92 6.998 16.350 -24.476 1.00 0.00 C ATOM 1473 O ALA A 92 7.597 17.423 -24.545 1.00 0.00 O ATOM 1474 CB ALA A 92 5.216 16.131 -26.218 1.00 0.00 C ATOM 0 H ALA A 92 4.354 18.026 -24.905 1.00 0.00 H new ATOM 0 HA ALA A 92 5.112 15.397 -24.210 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.731 15.250 -26.602 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.143 16.022 -26.378 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.573 17.017 -26.743 1.00 0.00 H new ATOM 1480 N ALA A 93 7.601 15.202 -24.184 1.00 0.00 N ATOM 1481 CA ALA A 93 9.033 15.135 -23.921 1.00 0.00 C ATOM 1482 C ALA A 93 9.497 13.691 -23.774 1.00 0.00 C ATOM 1483 O ALA A 93 8.694 12.760 -23.847 1.00 0.00 O ATOM 1484 CB ALA A 93 9.377 15.931 -22.671 1.00 0.00 C ATOM 0 H ALA A 93 7.119 14.305 -24.124 1.00 0.00 H new ATOM 0 HA ALA A 93 9.555 15.572 -24.773 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.450 15.873 -22.486 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.089 16.973 -22.812 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.839 15.519 -21.818 1.00 0.00 H new ATOM 1490 N ARG A 94 10.796 13.508 -23.567 1.00 0.00 N ATOM 1491 CA ARG A 94 11.367 12.173 -23.410 1.00 0.00 C ATOM 1492 C ARG A 94 11.883 11.963 -21.990 1.00 0.00 C ATOM 1493 O ARG A 94 12.775 11.147 -21.760 1.00 0.00 O ATOM 1494 CB ARG A 94 12.500 11.959 -24.415 1.00 0.00 C ATOM 1495 CG ARG A 94 12.128 12.333 -25.840 1.00 0.00 C ATOM 1496 CD ARG A 94 13.363 12.561 -26.695 1.00 0.00 C ATOM 1497 NE ARG A 94 13.023 13.052 -28.029 1.00 0.00 N ATOM 1498 CZ ARG A 94 13.890 13.649 -28.844 1.00 0.00 C ATOM 1499 NH1 ARG A 94 15.149 13.831 -28.464 1.00 0.00 N ATOM 1500 NH2 ARG A 94 13.498 14.065 -30.041 1.00 0.00 N ATOM 0 H ARG A 94 11.475 14.267 -23.504 1.00 0.00 H new ATOM 0 HA ARG A 94 10.579 11.444 -23.600 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.364 12.549 -24.107 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.803 10.912 -24.390 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.521 11.541 -26.279 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.517 13.236 -25.833 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.018 13.278 -26.201 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.920 11.628 -26.783 1.00 0.00 H new ATOM 0 HE ARG A 94 12.064 12.930 -28.355 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.455 13.513 -27.545 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.810 14.289 -29.092 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.532 13.928 -30.337 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.163 14.522 -30.665 1.00 0.00 H new ATOM 1514 N SER A 95 11.318 12.703 -21.040 1.00 0.00 N ATOM 1515 CA SER A 95 11.723 12.594 -19.642 1.00 0.00 C ATOM 1516 C SER A 95 10.923 13.561 -18.770 1.00 0.00 C ATOM 1517 O SER A 95 10.198 13.137 -17.868 1.00 0.00 O ATOM 1518 CB SER A 95 13.225 12.868 -19.499 1.00 0.00 C ATOM 1519 OG SER A 95 13.536 13.371 -18.211 1.00 0.00 O ATOM 0 H SER A 95 10.579 13.384 -21.213 1.00 0.00 H new ATOM 0 HA SER A 95 11.518 11.578 -19.305 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.783 11.949 -19.677 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.540 13.585 -20.258 1.00 0.00 H new ATOM 0 HG SER A 95 14.500 13.535 -18.148 1.00 0.00 H new ATOM 1525 N PRO A 96 11.043 14.875 -19.023 1.00 0.00 N ATOM 1526 CA PRO A 96 10.324 15.895 -18.254 1.00 0.00 C ATOM 1527 C PRO A 96 8.823 15.874 -18.528 1.00 0.00 C ATOM 1528 O PRO A 96 8.313 16.681 -19.306 1.00 0.00 O ATOM 1529 CB PRO A 96 10.938 17.209 -18.741 1.00 0.00 C ATOM 1530 CG PRO A 96 11.440 16.908 -20.110 1.00 0.00 C ATOM 1531 CD PRO A 96 11.885 15.472 -20.079 1.00 0.00 C ATOM 0 HA PRO A 96 10.420 15.738 -17.180 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.198 18.009 -18.758 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.746 17.535 -18.086 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.658 17.059 -20.855 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.266 17.567 -20.377 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.730 14.983 -21.041 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.946 15.385 -19.844 1.00 0.00 H new ATOM 1539 N GLU A 97 8.122 14.948 -17.885 1.00 0.00 N ATOM 1540 CA GLU A 97 6.680 14.821 -18.061 1.00 0.00 C ATOM 1541 C GLU A 97 5.931 15.590 -16.975 1.00 0.00 C ATOM 1542 O GLU A 97 5.202 16.539 -17.264 1.00 0.00 O ATOM 1543 CB GLU A 97 6.268 13.349 -18.036 1.00 0.00 C ATOM 1544 CG GLU A 97 4.895 13.091 -18.635 1.00 0.00 C ATOM 1545 CD GLU A 97 4.658 11.624 -18.938 1.00 0.00 C ATOM 1546 OE1 GLU A 97 5.532 11.002 -19.577 1.00 0.00 O ATOM 1547 OE2 GLU A 97 3.599 11.098 -18.537 1.00 0.00 O ATOM 0 H GLU A 97 8.529 14.274 -17.237 1.00 0.00 H new ATOM 0 HA GLU A 97 6.419 15.246 -19.030 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.009 12.764 -18.581 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.278 12.995 -17.005 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.129 13.444 -17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.788 13.670 -19.552 1.00 0.00 H new ATOM 1554 N LYS A 98 6.115 15.173 -15.727 1.00 0.00 N ATOM 1555 CA LYS A 98 5.457 15.821 -14.599 1.00 0.00 C ATOM 1556 C LYS A 98 6.448 16.084 -13.470 1.00 0.00 C ATOM 1557 O LYS A 98 7.337 15.274 -13.209 1.00 0.00 O ATOM 1558 CB LYS A 98 4.300 14.956 -14.092 1.00 0.00 C ATOM 1559 CG LYS A 98 3.029 15.742 -13.815 1.00 0.00 C ATOM 1560 CD LYS A 98 2.748 15.852 -12.323 1.00 0.00 C ATOM 1561 CE LYS A 98 3.007 17.257 -11.807 1.00 0.00 C ATOM 1562 NZ LYS A 98 2.348 18.288 -12.655 1.00 0.00 N ATOM 0 H LYS A 98 6.715 14.389 -15.471 1.00 0.00 H new ATOM 0 HA LYS A 98 5.062 16.778 -14.939 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.085 14.182 -14.829 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.610 14.449 -13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.118 16.741 -14.243 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.187 15.258 -14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.712 15.577 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.374 15.144 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.642 17.341 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.081 17.442 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.053 19.089 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.016 18.621 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.514 17.875 -13.119 1.00 0.00 H new ATOM 1576 N ALA A 99 6.290 17.224 -12.803 1.00 0.00 N ATOM 1577 CA ALA A 99 7.172 17.593 -11.702 1.00 0.00 C ATOM 1578 C ALA A 99 8.612 17.745 -12.180 1.00 0.00 C ATOM 1579 O ALA A 99 9.255 16.767 -12.563 1.00 0.00 O ATOM 1580 CB ALA A 99 7.089 16.559 -10.589 1.00 0.00 C ATOM 0 H ALA A 99 5.560 17.907 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 99 6.843 18.556 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.753 16.848 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.065 16.503 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.390 15.585 -10.974 1.00 0.00 H new ATOM 1586 N SER A 100 9.113 18.976 -12.154 1.00 0.00 N ATOM 1587 CA SER A 100 10.478 19.255 -12.584 1.00 0.00 C ATOM 1588 C SER A 100 10.879 20.684 -12.228 1.00 0.00 C ATOM 1589 O SER A 100 10.455 21.638 -12.878 1.00 0.00 O ATOM 1590 CB SER A 100 10.615 19.036 -14.093 1.00 0.00 C ATOM 1591 OG SER A 100 11.975 19.036 -14.487 1.00 0.00 O ATOM 0 H SER A 100 8.594 19.796 -11.840 1.00 0.00 H new ATOM 0 HA SER A 100 11.144 18.568 -12.062 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.153 18.088 -14.369 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.078 19.820 -14.628 1.00 0.00 H new ATOM 0 HG SER A 100 12.035 18.893 -15.455 1.00 0.00 H new ATOM 1597 N ASN A 101 11.699 20.821 -11.191 1.00 0.00 N ATOM 1598 CA ASN A 101 12.159 22.132 -10.747 1.00 0.00 C ATOM 1599 C ASN A 101 13.484 22.021 -10.001 1.00 0.00 C ATOM 1600 O ASN A 101 13.965 20.920 -9.730 1.00 0.00 O ATOM 1601 CB ASN A 101 11.108 22.787 -9.848 1.00 0.00 C ATOM 1602 CG ASN A 101 10.719 21.904 -8.677 1.00 0.00 C ATOM 1603 OD1 ASN A 101 10.484 20.707 -8.839 1.00 0.00 O ATOM 1604 ND2 ASN A 101 10.649 22.495 -7.491 1.00 0.00 N ATOM 0 H ASN A 101 12.059 20.040 -10.642 1.00 0.00 H new ATOM 0 HA ASN A 101 12.311 22.753 -11.630 1.00 0.00 H new ATOM 0 HB2 ASN A 101 11.494 23.735 -9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.220 23.016 -10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.392 21.954 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.853 23.491 -7.405 1.00 0.00 H new ATOM 1611 N MET A 102 14.070 23.167 -9.671 1.00 0.00 N ATOM 1612 CA MET A 102 15.339 23.199 -8.955 1.00 0.00 C ATOM 1613 C MET A 102 15.204 23.961 -7.640 1.00 0.00 C ATOM 1614 O MET A 102 16.148 24.607 -7.184 1.00 0.00 O ATOM 1615 CB MET A 102 16.424 23.843 -9.824 1.00 0.00 C ATOM 1616 CG MET A 102 17.739 23.079 -9.822 1.00 0.00 C ATOM 1617 SD MET A 102 18.982 23.835 -8.757 1.00 0.00 S ATOM 1618 CE MET A 102 20.462 22.998 -9.315 1.00 0.00 C ATOM 0 H MET A 102 13.686 24.086 -9.888 1.00 0.00 H new ATOM 0 HA MET A 102 15.626 22.172 -8.730 1.00 0.00 H new ATOM 0 HB2 MET A 102 16.059 23.919 -10.848 1.00 0.00 H new ATOM 0 HB3 MET A 102 16.603 24.859 -9.473 1.00 0.00 H new ATOM 0 HG2 MET A 102 17.559 22.055 -9.493 1.00 0.00 H new ATOM 0 HG3 MET A 102 18.124 23.024 -10.840 1.00 0.00 H new ATOM 0 HE1 MET A 102 21.320 23.360 -8.748 1.00 0.00 H new ATOM 0 HE2 MET A 102 20.352 21.924 -9.162 1.00 0.00 H new ATOM 0 HE3 MET A 102 20.616 23.200 -10.375 1.00 0.00 H new ATOM 1628 N GLU A 103 14.023 23.882 -7.035 1.00 0.00 N ATOM 1629 CA GLU A 103 13.761 24.563 -5.773 1.00 0.00 C ATOM 1630 C GLU A 103 14.021 23.637 -4.590 1.00 0.00 C ATOM 1631 O GLU A 103 13.212 22.759 -4.287 1.00 0.00 O ATOM 1632 CB GLU A 103 12.318 25.069 -5.733 1.00 0.00 C ATOM 1633 CG GLU A 103 12.167 26.425 -5.060 1.00 0.00 C ATOM 1634 CD GLU A 103 10.719 26.778 -4.778 1.00 0.00 C ATOM 1635 OE1 GLU A 103 9.951 26.950 -5.747 1.00 0.00 O ATOM 1636 OE2 GLU A 103 10.355 26.881 -3.588 1.00 0.00 O ATOM 0 H GLU A 103 13.231 23.352 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 103 14.439 25.413 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.936 25.134 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.701 24.341 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.726 26.426 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.607 27.193 -5.696 1.00 0.00 H new ATOM 1643 N ASN A 104 15.154 23.837 -3.925 1.00 0.00 N ATOM 1644 CA ASN A 104 15.521 23.020 -2.775 1.00 0.00 C ATOM 1645 C ASN A 104 15.819 23.894 -1.560 1.00 0.00 C ATOM 1646 O ASN A 104 15.949 25.111 -1.674 1.00 0.00 O ATOM 1647 CB ASN A 104 16.738 22.152 -3.107 1.00 0.00 C ATOM 1648 CG ASN A 104 16.353 20.729 -3.463 1.00 0.00 C ATOM 1649 OD1 ASN A 104 16.822 19.773 -2.844 1.00 0.00 O ATOM 1650 ND2 ASN A 104 15.493 20.582 -4.464 1.00 0.00 N ATOM 0 H ASN A 104 15.834 24.559 -4.163 1.00 0.00 H new ATOM 0 HA ASN A 104 14.677 22.373 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.282 22.597 -3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.416 22.139 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 104 15.196 19.649 -4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 104 15.130 21.403 -4.949 1.00 0.00 H new ATOM 1657 N ASN A 105 15.928 23.261 -0.395 1.00 0.00 N ATOM 1658 CA ASN A 105 16.212 23.979 0.842 1.00 0.00 C ATOM 1659 C ASN A 105 17.581 23.597 1.392 1.00 0.00 C ATOM 1660 O ASN A 105 17.759 22.508 1.939 1.00 0.00 O ATOM 1661 CB ASN A 105 15.130 23.690 1.884 1.00 0.00 C ATOM 1662 CG ASN A 105 15.033 24.777 2.936 1.00 0.00 C ATOM 1663 OD1 ASN A 105 15.351 24.557 4.104 1.00 0.00 O ATOM 1664 ND2 ASN A 105 14.590 25.959 2.525 1.00 0.00 N ATOM 0 H ASN A 105 15.824 22.253 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 105 16.216 25.046 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.167 23.586 1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.342 22.737 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 105 14.502 26.729 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.338 26.097 1.546 1.00 0.00 H new ATOM 1671 N GLU A 106 18.545 24.499 1.247 1.00 0.00 N ATOM 1672 CA GLU A 106 19.899 24.255 1.729 1.00 0.00 C ATOM 1673 C GLU A 106 19.909 24.057 3.242 1.00 0.00 C ATOM 1674 O GLU A 106 18.814 23.909 3.826 1.00 0.00 O ATOM 1675 CB GLU A 106 20.818 25.419 1.345 1.00 0.00 C ATOM 1676 CG GLU A 106 21.895 25.037 0.342 1.00 0.00 C ATOM 1677 CD GLU A 106 21.425 25.161 -1.094 1.00 0.00 C ATOM 1678 OE1 GLU A 106 21.526 26.270 -1.658 1.00 0.00 O ATOM 1679 OE2 GLU A 106 20.957 24.147 -1.655 1.00 0.00 O ATOM 1680 OXT GLU A 106 21.011 24.053 3.831 1.00 0.00 O ATOM 0 H GLU A 106 18.414 25.406 0.799 1.00 0.00 H new ATOM 0 HA GLU A 106 20.268 23.343 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.215 26.226 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.293 25.809 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.767 25.673 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.213 24.011 0.529 1.00 0.00 H new TER 1687 GLU A 106