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 45 GLN : amide:sc= -0.522 K(o=-0.52,f=-3.5!) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 TYR OH : rot 30:sc= 0.478 USER MOD Set 2.2: A 63 THR OG1 : rot 118:sc= 0.0561 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0293 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -61:sc= 1.15 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 24:sc= 0.404 USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.0315 (180deg=-0.228) USER MOD Single : A 20 GLN : amide:sc= -0.0475 X(o=-0.048,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.159) 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 -65:sc= 0.781 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 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -1.72 USER MOD Single : A 54 TYR OH : rot -109:sc= -2.06 USER MOD Single : A 56 SER OG : rot 180:sc= -0.416 USER MOD Single : A 59 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.44) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.171 K(o=-0.17,f=-2!) USER MOD Single : A 70 HIS : no HE2:sc= -7.47! C(o=-7.5!,f=-8.3!) USER MOD Single : A 74 THR OG1 : rot 96:sc= 1.12 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.286 USER MOD Single : A 95 SER OG : rot 180:sc= -1.01 USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.032) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.08 K(o=-2.1,f=-4.4!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.881 -0.392 7.207 1.00 0.00 N ATOM 2 CA GLY A 1 -32.578 0.196 7.619 1.00 0.00 C ATOM 3 C GLY A 1 -31.415 -0.753 7.399 1.00 0.00 C ATOM 4 O GLY A 1 -31.587 -1.971 7.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.614 -0.129 7.896 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.143 -0.031 6.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.798 -1.428 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.404 1.114 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.624 0.470 8.673 1.00 0.00 H new ATOM 10 N PRO A 2 -30.207 -0.223 7.140 1.00 0.00 N ATOM 11 CA PRO A 2 -29.016 -1.047 6.913 1.00 0.00 C ATOM 12 C PRO A 2 -28.534 -1.733 8.185 1.00 0.00 C ATOM 13 O PRO A 2 -28.792 -1.260 9.293 1.00 0.00 O ATOM 14 CB PRO A 2 -27.975 -0.038 6.423 1.00 0.00 C ATOM 15 CG PRO A 2 -28.406 1.263 7.005 1.00 0.00 C ATOM 16 CD PRO A 2 -29.910 1.219 7.050 1.00 0.00 C ATOM 0 HA PRO A 2 -29.209 -1.857 6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -26.973 -0.309 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.947 0.005 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -27.990 1.401 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.058 2.097 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -30.302 1.764 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -30.352 1.666 6.159 1.00 0.00 H new ATOM 24 N GLY A 3 -27.834 -2.849 8.021 1.00 0.00 N ATOM 25 CA GLY A 3 -27.328 -3.582 9.167 1.00 0.00 C ATOM 26 C GLY A 3 -27.012 -5.028 8.839 1.00 0.00 C ATOM 27 O GLY A 3 -26.650 -5.349 7.707 1.00 0.00 O ATOM 0 H GLY A 3 -27.607 -3.260 7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -26.428 -3.092 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -28.064 -3.548 9.970 1.00 0.00 H new ATOM 31 N SER A 4 -27.149 -5.902 9.830 1.00 0.00 N ATOM 32 CA SER A 4 -26.876 -7.322 9.640 1.00 0.00 C ATOM 33 C SER A 4 -28.077 -8.030 9.022 1.00 0.00 C ATOM 34 O SER A 4 -27.968 -8.646 7.963 1.00 0.00 O ATOM 35 CB SER A 4 -26.514 -7.977 10.975 1.00 0.00 C ATOM 36 OG SER A 4 -26.456 -9.388 10.853 1.00 0.00 O ATOM 0 H SER A 4 -27.447 -5.652 10.773 1.00 0.00 H new ATOM 0 HA SER A 4 -26.032 -7.415 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 4 -25.551 -7.599 11.320 1.00 0.00 H new ATOM 0 HB3 SER A 4 -27.252 -7.704 11.729 1.00 0.00 H new ATOM 0 HG SER A 4 -26.221 -9.782 11.719 1.00 0.00 H new ATOM 42 N LEU A 5 -29.221 -7.938 9.695 1.00 0.00 N ATOM 43 CA LEU A 5 -30.448 -8.568 9.217 1.00 0.00 C ATOM 44 C LEU A 5 -30.296 -10.086 9.152 1.00 0.00 C ATOM 45 O LEU A 5 -30.750 -10.801 10.044 1.00 0.00 O ATOM 46 CB LEU A 5 -30.831 -8.018 7.841 1.00 0.00 C ATOM 47 CG LEU A 5 -31.334 -6.572 7.837 1.00 0.00 C ATOM 48 CD1 LEU A 5 -30.891 -5.854 6.573 1.00 0.00 C ATOM 49 CD2 LEU A 5 -32.849 -6.537 7.970 1.00 0.00 C ATOM 0 H LEU A 5 -29.324 -7.432 10.575 1.00 0.00 H new ATOM 0 HA LEU A 5 -31.243 -8.334 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -29.963 -8.086 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -31.604 -8.657 7.414 1.00 0.00 H new ATOM 0 HG LEU A 5 -30.900 -6.054 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -31.259 -4.828 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -29.802 -5.849 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -31.294 -6.370 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -33.191 -5.502 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -33.300 -7.072 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -33.143 -7.012 8.906 1.00 0.00 H new ATOM 61 N SER A 6 -29.655 -10.570 8.093 1.00 0.00 N ATOM 62 CA SER A 6 -29.444 -12.001 7.914 1.00 0.00 C ATOM 63 C SER A 6 -30.774 -12.749 7.872 1.00 0.00 C ATOM 64 O SER A 6 -31.841 -12.139 7.934 1.00 0.00 O ATOM 65 CB SER A 6 -28.569 -12.555 9.043 1.00 0.00 C ATOM 66 OG SER A 6 -29.343 -12.843 10.196 1.00 0.00 O ATOM 0 H SER A 6 -29.273 -9.991 7.345 1.00 0.00 H new ATOM 0 HA SER A 6 -28.935 -12.150 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.064 -13.460 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.793 -11.832 9.294 1.00 0.00 H new ATOM 0 HG SER A 6 -29.762 -12.020 10.522 1.00 0.00 H new ATOM 72 N ASN A 7 -30.701 -14.072 7.766 1.00 0.00 N ATOM 73 CA ASN A 7 -31.898 -14.902 7.715 1.00 0.00 C ATOM 74 C ASN A 7 -32.053 -15.715 8.996 1.00 0.00 C ATOM 75 O ASN A 7 -31.257 -15.584 9.926 1.00 0.00 O ATOM 76 CB ASN A 7 -31.843 -15.839 6.506 1.00 0.00 C ATOM 77 CG ASN A 7 -31.800 -15.085 5.192 1.00 0.00 C ATOM 78 OD1 ASN A 7 -30.824 -15.168 4.448 1.00 0.00 O ATOM 79 ND2 ASN A 7 -32.862 -14.343 4.901 1.00 0.00 N ATOM 0 H ASN A 7 -29.825 -14.592 7.714 1.00 0.00 H new ATOM 0 HA ASN A 7 -32.762 -14.244 7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -30.963 -16.477 6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -32.714 -16.494 6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -32.890 -13.812 4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -33.650 -14.304 5.548 1.00 0.00 H new ATOM 86 N PHE A 8 -33.082 -16.556 9.038 1.00 0.00 N ATOM 87 CA PHE A 8 -33.340 -17.390 10.205 1.00 0.00 C ATOM 88 C PHE A 8 -32.846 -18.816 9.976 1.00 0.00 C ATOM 89 O PHE A 8 -33.415 -19.772 10.503 1.00 0.00 O ATOM 90 CB PHE A 8 -34.835 -17.402 10.527 1.00 0.00 C ATOM 91 CG PHE A 8 -35.703 -17.699 9.338 1.00 0.00 C ATOM 92 CD1 PHE A 8 -35.886 -19.002 8.904 1.00 0.00 C ATOM 93 CD2 PHE A 8 -36.337 -16.674 8.653 1.00 0.00 C ATOM 94 CE1 PHE A 8 -36.684 -19.279 7.811 1.00 0.00 C ATOM 95 CE2 PHE A 8 -37.136 -16.943 7.558 1.00 0.00 C ATOM 96 CZ PHE A 8 -37.309 -18.247 7.136 1.00 0.00 C ATOM 0 H PHE A 8 -33.750 -16.677 8.277 1.00 0.00 H new ATOM 0 HA PHE A 8 -32.796 -16.968 11.050 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -35.026 -18.146 11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -35.117 -16.433 10.940 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -35.398 -19.811 9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -36.205 -15.653 8.979 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -36.819 -20.300 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -37.624 -16.135 7.033 1.00 0.00 H new ATOM 0 HZ PHE A 8 -37.932 -18.460 6.280 1.00 0.00 H new ATOM 106 N ALA A 9 -31.784 -18.949 9.189 1.00 0.00 N ATOM 107 CA ALA A 9 -31.214 -20.257 8.892 1.00 0.00 C ATOM 108 C ALA A 9 -30.014 -20.549 9.786 1.00 0.00 C ATOM 109 O ALA A 9 -29.424 -19.637 10.366 1.00 0.00 O ATOM 110 CB ALA A 9 -30.813 -20.335 7.426 1.00 0.00 C ATOM 0 H ALA A 9 -31.301 -18.167 8.746 1.00 0.00 H new ATOM 0 HA ALA A 9 -31.974 -21.012 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.389 -21.317 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -31.691 -20.178 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -30.072 -19.566 7.210 1.00 0.00 H new ATOM 116 N ASN A 10 -29.659 -21.825 9.895 1.00 0.00 N ATOM 117 CA ASN A 10 -28.529 -22.235 10.720 1.00 0.00 C ATOM 118 C ASN A 10 -27.207 -21.899 10.036 1.00 0.00 C ATOM 119 O ASN A 10 -27.056 -22.088 8.830 1.00 0.00 O ATOM 120 CB ASN A 10 -28.600 -23.736 11.008 1.00 0.00 C ATOM 121 CG ASN A 10 -27.890 -24.112 12.295 1.00 0.00 C ATOM 122 OD1 ASN A 10 -26.753 -24.584 12.275 1.00 0.00 O ATOM 123 ND2 ASN A 10 -28.560 -23.903 13.423 1.00 0.00 N ATOM 0 H ASN A 10 -30.137 -22.592 9.423 1.00 0.00 H new ATOM 0 HA ASN A 10 -28.580 -21.688 11.662 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -29.644 -24.042 11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -28.155 -24.284 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -28.134 -24.136 14.320 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -29.501 -23.510 13.392 1.00 0.00 H new ATOM 130 N VAL A 11 -26.253 -21.402 10.817 1.00 0.00 N ATOM 131 CA VAL A 11 -24.944 -21.039 10.287 1.00 0.00 C ATOM 132 C VAL A 11 -23.830 -21.786 11.016 1.00 0.00 C ATOM 133 O VAL A 11 -22.889 -22.279 10.393 1.00 0.00 O ATOM 134 CB VAL A 11 -24.695 -19.522 10.399 1.00 0.00 C ATOM 135 CG1 VAL A 11 -24.714 -19.079 11.854 1.00 0.00 C ATOM 136 CG2 VAL A 11 -23.378 -19.144 9.735 1.00 0.00 C ATOM 0 H VAL A 11 -26.362 -21.242 11.818 1.00 0.00 H new ATOM 0 HA VAL A 11 -24.937 -21.322 9.234 1.00 0.00 H new ATOM 0 HB VAL A 11 -25.500 -19.004 9.877 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -24.536 -18.005 11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -25.685 -19.309 12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.934 -19.605 12.405 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -23.221 -18.069 9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -22.559 -19.673 10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.410 -19.419 8.681 1.00 0.00 H new ATOM 146 N GLY A 12 -23.944 -21.866 12.337 1.00 0.00 N ATOM 147 CA GLY A 12 -22.940 -22.554 13.128 1.00 0.00 C ATOM 148 C GLY A 12 -21.613 -21.821 13.145 1.00 0.00 C ATOM 149 O GLY A 12 -21.530 -20.684 13.610 1.00 0.00 O ATOM 0 H GLY A 12 -24.714 -21.467 12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -23.302 -22.668 14.150 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.792 -23.557 12.729 1.00 0.00 H new ATOM 153 N VAL A 13 -20.573 -22.473 12.638 1.00 0.00 N ATOM 154 CA VAL A 13 -19.242 -21.875 12.597 1.00 0.00 C ATOM 155 C VAL A 13 -18.629 -22.001 11.206 1.00 0.00 C ATOM 156 O VAL A 13 -18.849 -22.989 10.505 1.00 0.00 O ATOM 157 CB VAL A 13 -18.302 -22.528 13.628 1.00 0.00 C ATOM 158 CG1 VAL A 13 -18.133 -24.013 13.341 1.00 0.00 C ATOM 159 CG2 VAL A 13 -16.954 -21.823 13.646 1.00 0.00 C ATOM 0 H VAL A 13 -20.625 -23.415 12.250 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.358 -20.820 12.844 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.753 -22.425 14.615 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.465 -24.453 14.082 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.104 -24.506 13.390 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.709 -24.145 12.346 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.304 -22.299 14.380 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.496 -21.889 12.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.095 -20.775 13.911 1.00 0.00 H new ATOM 169 N GLY A 14 -17.856 -20.994 10.814 1.00 0.00 N ATOM 170 CA GLY A 14 -17.222 -21.010 9.509 1.00 0.00 C ATOM 171 C GLY A 14 -16.069 -21.992 9.438 1.00 0.00 C ATOM 172 O GLY A 14 -15.516 -22.387 10.465 1.00 0.00 O ATOM 0 H GLY A 14 -17.657 -20.167 11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -17.962 -21.268 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.859 -20.010 9.272 1.00 0.00 H new ATOM 176 N THR A 15 -15.705 -22.385 8.222 1.00 0.00 N ATOM 177 CA THR A 15 -14.609 -23.326 8.021 1.00 0.00 C ATOM 178 C THR A 15 -14.087 -23.255 6.589 1.00 0.00 C ATOM 179 O THR A 15 -14.826 -23.504 5.635 1.00 0.00 O ATOM 180 CB THR A 15 -15.069 -24.750 8.337 1.00 0.00 C ATOM 181 OG1 THR A 15 -13.990 -25.662 8.222 1.00 0.00 O ATOM 182 CG2 THR A 15 -16.180 -25.236 7.432 1.00 0.00 C ATOM 0 H THR A 15 -16.152 -22.067 7.362 1.00 0.00 H new ATOM 0 HA THR A 15 -13.800 -23.053 8.698 1.00 0.00 H new ATOM 0 HB THR A 15 -15.447 -24.711 9.359 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.303 -26.567 8.429 1.00 0.00 H new ATOM 0 HG21 THR A 15 -16.458 -26.252 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 15 -17.046 -24.582 7.535 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.838 -25.224 6.397 1.00 0.00 H new ATOM 190 N SER A 16 -12.811 -22.913 6.447 1.00 0.00 N ATOM 191 CA SER A 16 -12.190 -22.809 5.132 1.00 0.00 C ATOM 192 C SER A 16 -11.024 -23.783 5.003 1.00 0.00 C ATOM 193 O SER A 16 -10.307 -24.039 5.971 1.00 0.00 O ATOM 194 CB SER A 16 -11.705 -21.379 4.886 1.00 0.00 C ATOM 195 OG SER A 16 -12.747 -20.443 5.099 1.00 0.00 O ATOM 0 H SER A 16 -12.187 -22.703 7.226 1.00 0.00 H new ATOM 0 HA SER A 16 -12.939 -23.065 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.870 -21.156 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.334 -21.288 3.865 1.00 0.00 H new ATOM 0 HG SER A 16 -12.411 -19.537 4.937 1.00 0.00 H new ATOM 201 N SER A 17 -10.840 -24.324 3.803 1.00 0.00 N ATOM 202 CA SER A 17 -9.761 -25.270 3.548 1.00 0.00 C ATOM 203 C SER A 17 -8.975 -24.878 2.302 1.00 0.00 C ATOM 204 O SER A 17 -9.529 -24.805 1.205 1.00 0.00 O ATOM 205 CB SER A 17 -10.322 -26.685 3.389 1.00 0.00 C ATOM 206 OG SER A 17 -11.217 -26.756 2.292 1.00 0.00 O ATOM 0 H SER A 17 -11.425 -24.123 2.992 1.00 0.00 H new ATOM 0 HA SER A 17 -9.084 -25.249 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.504 -27.390 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.837 -26.981 4.303 1.00 0.00 H new ATOM 0 HG SER A 17 -11.009 -26.043 1.653 1.00 0.00 H new ATOM 212 N GLY A 18 -7.683 -24.627 2.478 1.00 0.00 N ATOM 213 CA GLY A 18 -6.841 -24.246 1.359 1.00 0.00 C ATOM 214 C GLY A 18 -5.606 -23.483 1.796 1.00 0.00 C ATOM 215 O GLY A 18 -4.527 -24.061 1.932 1.00 0.00 O ATOM 0 H GLY A 18 -7.203 -24.681 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.538 -25.141 0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.418 -23.632 0.667 1.00 0.00 H new ATOM 219 N LYS A 19 -5.764 -22.182 2.018 1.00 0.00 N ATOM 220 CA LYS A 19 -4.652 -21.339 2.442 1.00 0.00 C ATOM 221 C LYS A 19 -4.707 -21.083 3.945 1.00 0.00 C ATOM 222 O LYS A 19 -5.783 -20.909 4.517 1.00 0.00 O ATOM 223 CB LYS A 19 -4.674 -20.009 1.686 1.00 0.00 C ATOM 224 CG LYS A 19 -5.986 -19.253 1.823 1.00 0.00 C ATOM 225 CD LYS A 19 -5.790 -17.911 2.513 1.00 0.00 C ATOM 226 CE LYS A 19 -6.634 -16.823 1.867 1.00 0.00 C ATOM 227 NZ LYS A 19 -6.160 -16.495 0.493 1.00 0.00 N ATOM 0 H LYS A 19 -6.651 -21.689 1.911 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.724 -21.863 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.862 -19.380 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.482 -20.198 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.420 -19.095 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.696 -19.855 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.054 -18.000 3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.738 -17.630 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.674 -17.147 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.605 -15.926 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.471 -15.536 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.121 -16.542 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.557 -17.178 -0.183 1.00 0.00 H new ATOM 241 N GLN A 20 -3.538 -21.062 4.579 1.00 0.00 N ATOM 242 CA GLN A 20 -3.453 -20.828 6.015 1.00 0.00 C ATOM 243 C GLN A 20 -2.271 -19.922 6.349 1.00 0.00 C ATOM 244 O GLN A 20 -1.335 -19.792 5.560 1.00 0.00 O ATOM 245 CB GLN A 20 -3.320 -22.156 6.763 1.00 0.00 C ATOM 246 CG GLN A 20 -4.524 -23.070 6.598 1.00 0.00 C ATOM 247 CD GLN A 20 -5.014 -23.635 7.917 1.00 0.00 C ATOM 248 OE1 GLN A 20 -5.032 -24.849 8.115 1.00 0.00 O ATOM 249 NE2 GLN A 20 -5.415 -22.754 8.827 1.00 0.00 N ATOM 0 H GLN A 20 -2.638 -21.204 4.120 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.370 -20.331 6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.429 -22.675 6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.171 -21.953 7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.333 -22.516 6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.263 -23.891 5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.383 -21.756 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.755 -23.076 9.733 1.00 0.00 H new ATOM 258 N LYS A 21 -2.323 -19.297 7.521 1.00 0.00 N ATOM 259 CA LYS A 21 -1.258 -18.402 7.958 1.00 0.00 C ATOM 260 C LYS A 21 -1.090 -17.240 6.984 1.00 0.00 C ATOM 261 O LYS A 21 0.008 -16.709 6.820 1.00 0.00 O ATOM 262 CB LYS A 21 0.060 -19.169 8.088 1.00 0.00 C ATOM 263 CG LYS A 21 0.111 -20.088 9.299 1.00 0.00 C ATOM 264 CD LYS A 21 -0.298 -21.506 8.939 1.00 0.00 C ATOM 265 CE LYS A 21 -0.960 -22.211 10.112 1.00 0.00 C ATOM 266 NZ LYS A 21 -1.557 -23.514 9.712 1.00 0.00 N ATOM 0 H LYS A 21 -3.091 -19.394 8.185 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.533 -17.999 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.217 -19.761 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.882 -18.456 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.120 -20.093 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.549 -19.704 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.984 -21.484 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.580 -22.070 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.224 -22.375 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.736 -21.569 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.349 -23.742 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.904 -23.451 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.836 -24.261 9.777 1.00 0.00 H new ATOM 280 N ARG A 22 -2.187 -16.851 6.340 1.00 0.00 N ATOM 281 CA ARG A 22 -2.160 -15.752 5.382 1.00 0.00 C ATOM 282 C ARG A 22 -2.694 -14.470 6.015 1.00 0.00 C ATOM 283 O ARG A 22 -3.794 -14.452 6.568 1.00 0.00 O ATOM 284 CB ARG A 22 -2.985 -16.108 4.144 1.00 0.00 C ATOM 285 CG ARG A 22 -2.174 -16.765 3.040 1.00 0.00 C ATOM 286 CD ARG A 22 -1.810 -15.772 1.948 1.00 0.00 C ATOM 287 NE ARG A 22 -0.487 -16.036 1.386 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.233 -17.008 0.513 1.00 0.00 C ATOM 289 NH1 ARG A 22 -1.205 -17.811 0.100 1.00 0.00 N ATOM 290 NH2 ARG A 22 0.999 -17.180 0.054 1.00 0.00 N ATOM 0 H ARG A 22 -3.104 -17.280 6.464 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.125 -15.585 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.794 -16.778 4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.448 -15.202 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.265 -17.193 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.744 -17.588 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.556 -15.816 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.836 -14.761 2.354 1.00 0.00 H new ATOM 0 HE ARG A 22 0.287 -15.440 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.154 -17.686 0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.003 -18.554 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.751 -16.568 0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.195 -17.925 -0.615 1.00 0.00 H new ATOM 304 N TYR A 23 -1.909 -13.401 5.931 1.00 0.00 N ATOM 305 CA TYR A 23 -2.305 -12.118 6.499 1.00 0.00 C ATOM 306 C TYR A 23 -3.382 -11.453 5.644 1.00 0.00 C ATOM 307 O TYR A 23 -4.574 -11.570 5.932 1.00 0.00 O ATOM 308 CB TYR A 23 -1.090 -11.197 6.632 1.00 0.00 C ATOM 309 CG TYR A 23 -0.137 -11.607 7.732 1.00 0.00 C ATOM 310 CD1 TYR A 23 0.882 -12.521 7.492 1.00 0.00 C ATOM 311 CD2 TYR A 23 -0.256 -11.082 9.012 1.00 0.00 C ATOM 312 CE1 TYR A 23 1.754 -12.898 8.494 1.00 0.00 C ATOM 313 CE2 TYR A 23 0.611 -11.454 10.021 1.00 0.00 C ATOM 314 CZ TYR A 23 1.615 -12.362 9.757 1.00 0.00 C ATOM 315 OH TYR A 23 2.481 -12.735 10.759 1.00 0.00 O ATOM 0 H TYR A 23 -0.996 -13.398 5.476 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.719 -12.299 7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.552 -11.180 5.684 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.434 -10.180 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.994 -12.944 6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.040 -10.370 9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.541 -13.609 8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.503 -11.036 11.011 1.00 0.00 H new ATOM 0 HH TYR A 23 2.246 -12.265 11.586 1.00 0.00 H new ATOM 325 N LYS A 24 -2.960 -10.753 4.591 1.00 0.00 N ATOM 326 CA LYS A 24 -3.893 -10.071 3.697 1.00 0.00 C ATOM 327 C LYS A 24 -4.927 -9.275 4.485 1.00 0.00 C ATOM 328 O LYS A 24 -6.108 -9.255 4.139 1.00 0.00 O ATOM 329 CB LYS A 24 -4.590 -11.082 2.782 1.00 0.00 C ATOM 330 CG LYS A 24 -3.897 -11.266 1.441 1.00 0.00 C ATOM 331 CD LYS A 24 -4.862 -11.770 0.381 1.00 0.00 C ATOM 332 CE LYS A 24 -4.669 -11.042 -0.940 1.00 0.00 C ATOM 333 NZ LYS A 24 -5.245 -9.669 -0.908 1.00 0.00 N ATOM 0 H LYS A 24 -1.978 -10.644 4.337 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.322 -9.373 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.641 -12.045 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.616 -10.757 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.465 -10.318 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.073 -11.971 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.715 -12.840 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.887 -11.634 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.605 -10.984 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.138 -11.614 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.092 -9.207 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.265 -9.725 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.780 -9.115 -0.161 1.00 0.00 H new ATOM 347 N PHE A 25 -4.469 -8.607 5.537 1.00 0.00 N ATOM 348 CA PHE A 25 -5.348 -7.794 6.368 1.00 0.00 C ATOM 349 C PHE A 25 -6.213 -6.891 5.495 1.00 0.00 C ATOM 350 O PHE A 25 -5.721 -6.314 4.526 1.00 0.00 O ATOM 351 CB PHE A 25 -4.519 -6.946 7.335 1.00 0.00 C ATOM 352 CG PHE A 25 -4.382 -7.554 8.702 1.00 0.00 C ATOM 353 CD1 PHE A 25 -5.482 -8.092 9.349 1.00 0.00 C ATOM 354 CD2 PHE A 25 -3.152 -7.587 9.339 1.00 0.00 C ATOM 355 CE1 PHE A 25 -5.358 -8.653 10.606 1.00 0.00 C ATOM 356 CE2 PHE A 25 -3.022 -8.145 10.596 1.00 0.00 C ATOM 357 CZ PHE A 25 -4.126 -8.679 11.231 1.00 0.00 C ATOM 0 H PHE A 25 -3.493 -8.612 5.835 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.997 -8.455 6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.526 -6.795 6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.979 -5.962 7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.448 -8.073 8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.285 -7.172 8.847 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.223 -9.071 11.099 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.058 -8.164 11.082 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.027 -9.116 12.214 1.00 0.00 H new ATOM 367 N SER A 26 -7.493 -6.767 5.833 1.00 0.00 N ATOM 368 CA SER A 26 -8.395 -5.920 5.065 1.00 0.00 C ATOM 369 C SER A 26 -7.997 -4.461 5.239 1.00 0.00 C ATOM 370 O SER A 26 -8.734 -3.669 5.827 1.00 0.00 O ATOM 371 CB SER A 26 -9.843 -6.133 5.512 1.00 0.00 C ATOM 372 OG SER A 26 -10.696 -5.138 4.971 1.00 0.00 O ATOM 0 H SER A 26 -7.925 -7.239 6.627 1.00 0.00 H new ATOM 0 HA SER A 26 -8.321 -6.188 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.183 -7.119 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.898 -6.111 6.600 1.00 0.00 H new ATOM 0 HG SER A 26 -10.457 -4.264 5.344 1.00 0.00 H new ATOM 378 N ALA A 27 -6.812 -4.120 4.744 1.00 0.00 N ATOM 379 CA ALA A 27 -6.299 -2.765 4.866 1.00 0.00 C ATOM 380 C ALA A 27 -6.038 -2.420 6.330 1.00 0.00 C ATOM 381 O ALA A 27 -5.962 -1.247 6.695 1.00 0.00 O ATOM 382 CB ALA A 27 -7.269 -1.769 4.246 1.00 0.00 C ATOM 0 H ALA A 27 -6.191 -4.765 4.255 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.354 -2.705 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.869 -0.760 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.404 -2.002 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.230 -1.831 4.757 1.00 0.00 H new ATOM 388 N SER A 28 -5.904 -3.448 7.170 1.00 0.00 N ATOM 389 CA SER A 28 -5.652 -3.239 8.593 1.00 0.00 C ATOM 390 C SER A 28 -4.331 -2.509 8.818 1.00 0.00 C ATOM 391 O SER A 28 -4.118 -1.904 9.867 1.00 0.00 O ATOM 392 CB SER A 28 -5.641 -4.577 9.335 1.00 0.00 C ATOM 393 OG SER A 28 -5.861 -4.394 10.722 1.00 0.00 O ATOM 0 H SER A 28 -5.966 -4.427 6.890 1.00 0.00 H new ATOM 0 HA SER A 28 -6.457 -2.619 8.986 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.411 -5.230 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.684 -5.075 9.178 1.00 0.00 H new ATOM 0 HG SER A 28 -5.851 -5.264 11.172 1.00 0.00 H new ATOM 399 N GLU A 29 -3.445 -2.570 7.827 1.00 0.00 N ATOM 400 CA GLU A 29 -2.146 -1.913 7.923 1.00 0.00 C ATOM 401 C GLU A 29 -2.308 -0.425 8.226 1.00 0.00 C ATOM 402 O GLU A 29 -1.712 0.095 9.171 1.00 0.00 O ATOM 403 CB GLU A 29 -1.363 -2.097 6.622 1.00 0.00 C ATOM 404 CG GLU A 29 0.095 -1.678 6.728 1.00 0.00 C ATOM 405 CD GLU A 29 0.516 -0.738 5.614 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.164 -0.718 4.567 1.00 0.00 O ATOM 407 OE2 GLU A 29 1.526 -0.025 5.790 1.00 0.00 O ATOM 0 H GLU A 29 -3.603 -3.067 6.950 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.593 -2.373 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.411 -3.144 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.843 -1.518 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.260 -1.192 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.727 -2.566 6.707 1.00 0.00 H new ATOM 414 N ASP A 30 -3.119 0.253 7.419 1.00 0.00 N ATOM 415 CA ASP A 30 -3.361 1.679 7.602 1.00 0.00 C ATOM 416 C ASP A 30 -3.885 1.965 9.005 1.00 0.00 C ATOM 417 O ASP A 30 -3.609 3.019 9.579 1.00 0.00 O ATOM 418 CB ASP A 30 -4.360 2.185 6.560 1.00 0.00 C ATOM 419 CG ASP A 30 -3.814 2.102 5.147 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.956 1.232 4.892 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.246 2.909 4.296 1.00 0.00 O ATOM 0 H ASP A 30 -3.619 -0.162 6.633 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.414 2.203 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.278 1.601 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.623 3.219 6.785 1.00 0.00 H new ATOM 426 N GLU A 31 -4.637 1.017 9.553 1.00 0.00 N ATOM 427 CA GLU A 31 -5.193 1.164 10.891 1.00 0.00 C ATOM 428 C GLU A 31 -4.093 1.087 11.942 1.00 0.00 C ATOM 429 O GLU A 31 -4.169 1.734 12.988 1.00 0.00 O ATOM 430 CB GLU A 31 -6.245 0.083 11.153 1.00 0.00 C ATOM 431 CG GLU A 31 -7.664 0.523 10.830 1.00 0.00 C ATOM 432 CD GLU A 31 -8.619 -0.645 10.685 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.325 -1.724 11.240 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.659 -0.481 10.016 1.00 0.00 O ATOM 0 H GLU A 31 -4.875 0.139 9.091 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.669 2.143 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.003 -0.799 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.195 -0.214 12.201 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.023 1.185 11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.660 1.101 9.906 1.00 0.00 H new ATOM 441 N ALA A 32 -3.065 0.295 11.655 1.00 0.00 N ATOM 442 CA ALA A 32 -1.949 0.136 12.574 1.00 0.00 C ATOM 443 C ALA A 32 -1.091 1.393 12.616 1.00 0.00 C ATOM 444 O ALA A 32 -0.561 1.760 13.664 1.00 0.00 O ATOM 445 CB ALA A 32 -1.107 -1.071 12.182 1.00 0.00 C ATOM 0 H ALA A 32 -2.984 -0.245 10.794 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.354 -0.029 13.573 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.276 -1.177 12.879 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.723 -1.970 12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.719 -0.932 11.173 1.00 0.00 H new ATOM 451 N ILE A 33 -0.958 2.055 11.471 1.00 0.00 N ATOM 452 CA ILE A 33 -0.164 3.276 11.394 1.00 0.00 C ATOM 453 C ILE A 33 -0.859 4.422 12.115 1.00 0.00 C ATOM 454 O ILE A 33 -0.221 5.202 12.821 1.00 0.00 O ATOM 455 CB ILE A 33 0.121 3.707 9.941 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.379 2.485 9.055 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.309 4.657 9.906 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.816 2.837 7.648 1.00 0.00 C ATOM 0 H ILE A 33 -1.386 1.769 10.590 1.00 0.00 H new ATOM 0 HA ILE A 33 0.786 3.049 11.878 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.755 4.226 9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.145 1.865 9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.529 1.885 9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.505 4.957 8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.087 5.540 10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.188 4.155 10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.980 1.922 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.041 3.431 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.742 3.411 7.687 1.00 0.00 H new ATOM 470 N ILE A 34 -2.172 4.515 11.936 1.00 0.00 N ATOM 471 CA ILE A 34 -2.946 5.569 12.578 1.00 0.00 C ATOM 472 C ILE A 34 -2.926 5.401 14.091 1.00 0.00 C ATOM 473 O ILE A 34 -2.848 6.382 14.832 1.00 0.00 O ATOM 474 CB ILE A 34 -4.406 5.592 12.087 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.064 4.231 12.301 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.464 5.989 10.620 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.535 4.209 11.951 1.00 0.00 C ATOM 0 H ILE A 34 -2.719 3.878 11.356 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.480 6.516 12.307 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.956 6.333 12.668 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.544 3.486 11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.943 3.938 13.344 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.502 6.001 10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.031 6.981 10.494 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.901 5.270 10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.936 3.211 12.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.068 4.929 12.572 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.663 4.471 10.901 1.00 0.00 H new ATOM 489 N LYS A 35 -2.982 4.153 14.544 1.00 0.00 N ATOM 490 CA LYS A 35 -2.956 3.864 15.971 1.00 0.00 C ATOM 491 C LYS A 35 -1.565 4.125 16.533 1.00 0.00 C ATOM 492 O LYS A 35 -1.414 4.569 17.672 1.00 0.00 O ATOM 493 CB LYS A 35 -3.367 2.412 16.230 1.00 0.00 C ATOM 494 CG LYS A 35 -3.372 2.036 17.703 1.00 0.00 C ATOM 495 CD LYS A 35 -4.008 0.674 17.927 1.00 0.00 C ATOM 496 CE LYS A 35 -4.780 0.626 19.236 1.00 0.00 C ATOM 497 NZ LYS A 35 -4.573 -0.661 19.955 1.00 0.00 N ATOM 0 H LYS A 35 -3.045 3.329 13.946 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.668 4.520 16.472 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.362 2.245 15.817 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.686 1.749 15.696 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.350 2.028 18.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.916 2.791 18.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.679 0.445 17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.234 -0.093 17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.466 1.453 19.873 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.843 0.764 19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.116 -0.654 20.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.896 -1.448 19.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.562 -0.781 20.169 1.00 0.00 H new ATOM 511 N GLY A 36 -0.550 3.851 15.719 1.00 0.00 N ATOM 512 CA GLY A 36 0.820 4.066 16.138 1.00 0.00 C ATOM 513 C GLY A 36 1.186 5.537 16.171 1.00 0.00 C ATOM 514 O GLY A 36 1.885 5.992 17.076 1.00 0.00 O ATOM 0 H GLY A 36 -0.654 3.483 14.774 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.967 3.635 17.128 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.492 3.541 15.459 1.00 0.00 H new ATOM 518 N LEU A 37 0.708 6.281 15.177 1.00 0.00 N ATOM 519 CA LEU A 37 0.982 7.711 15.089 1.00 0.00 C ATOM 520 C LEU A 37 0.156 8.490 16.110 1.00 0.00 C ATOM 521 O LEU A 37 0.529 9.593 16.511 1.00 0.00 O ATOM 522 CB LEU A 37 0.686 8.221 13.676 1.00 0.00 C ATOM 523 CG LEU A 37 1.905 8.728 12.900 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.379 7.680 11.905 1.00 0.00 C ATOM 525 CD2 LEU A 37 1.581 10.033 12.188 1.00 0.00 C ATOM 0 H LEU A 37 0.129 5.916 14.421 1.00 0.00 H new ATOM 0 HA LEU A 37 2.038 7.868 15.311 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.221 7.417 13.106 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.044 9.028 13.743 1.00 0.00 H new ATOM 0 HG LEU A 37 2.710 8.916 13.611 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.246 8.058 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.653 6.770 12.438 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.578 7.460 11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.459 10.377 11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.760 9.872 11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.291 10.786 12.921 1.00 0.00 H new ATOM 537 N ALA A 38 -0.969 7.915 16.523 1.00 0.00 N ATOM 538 CA ALA A 38 -1.844 8.561 17.492 1.00 0.00 C ATOM 539 C ALA A 38 -1.427 8.241 18.926 1.00 0.00 C ATOM 540 O ALA A 38 -1.858 8.908 19.866 1.00 0.00 O ATOM 541 CB ALA A 38 -3.287 8.143 17.257 1.00 0.00 C ATOM 0 H ALA A 38 -1.295 7.004 16.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.757 9.639 17.354 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.931 8.632 17.988 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.591 8.435 16.252 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.374 7.062 17.363 1.00 0.00 H new ATOM 547 N ARG A 39 -0.597 7.215 19.092 1.00 0.00 N ATOM 548 CA ARG A 39 -0.142 6.815 20.418 1.00 0.00 C ATOM 549 C ARG A 39 1.283 7.286 20.687 1.00 0.00 C ATOM 550 O ARG A 39 1.558 7.908 21.714 1.00 0.00 O ATOM 551 CB ARG A 39 -0.225 5.296 20.572 1.00 0.00 C ATOM 552 CG ARG A 39 0.137 4.803 21.963 1.00 0.00 C ATOM 553 CD ARG A 39 -0.304 3.364 22.177 1.00 0.00 C ATOM 554 NE ARG A 39 -1.753 3.251 22.324 1.00 0.00 N ATOM 555 CZ ARG A 39 -2.427 2.114 22.170 1.00 0.00 C ATOM 556 NH1 ARG A 39 -1.790 0.991 21.862 1.00 0.00 N ATOM 557 NH2 ARG A 39 -3.744 2.100 22.322 1.00 0.00 N ATOM 0 H ARG A 39 -0.228 6.649 18.328 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.798 7.289 21.148 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.237 4.970 20.333 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.440 4.829 19.846 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.215 4.880 22.108 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.332 5.443 22.710 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.023 2.756 21.334 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.183 2.964 23.067 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.279 4.093 22.558 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.777 0.996 21.742 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.313 0.123 21.746 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.239 2.960 22.557 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.262 1.229 22.204 1.00 0.00 H new ATOM 571 N PHE A 40 2.183 6.984 19.763 1.00 0.00 N ATOM 572 CA PHE A 40 3.582 7.374 19.905 1.00 0.00 C ATOM 573 C PHE A 40 4.094 8.062 18.644 1.00 0.00 C ATOM 574 O PHE A 40 3.831 7.613 17.528 1.00 0.00 O ATOM 575 CB PHE A 40 4.446 6.150 20.218 1.00 0.00 C ATOM 576 CG PHE A 40 4.104 4.944 19.390 1.00 0.00 C ATOM 577 CD1 PHE A 40 2.965 4.202 19.661 1.00 0.00 C ATOM 578 CD2 PHE A 40 4.921 4.553 18.342 1.00 0.00 C ATOM 579 CE1 PHE A 40 2.648 3.093 18.901 1.00 0.00 C ATOM 580 CE2 PHE A 40 4.609 3.444 17.578 1.00 0.00 C ATOM 581 CZ PHE A 40 3.471 2.713 17.858 1.00 0.00 C ATOM 0 H PHE A 40 1.972 6.471 18.907 1.00 0.00 H new ATOM 0 HA PHE A 40 3.649 8.081 20.732 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.494 6.405 20.058 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.337 5.899 21.273 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.318 4.494 20.475 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.812 5.121 18.119 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.757 2.523 19.122 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.254 3.150 16.763 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.225 1.846 17.263 1.00 0.00 H new ATOM 591 N THR A 41 4.830 9.154 18.832 1.00 0.00 N ATOM 592 CA THR A 41 5.382 9.907 17.712 1.00 0.00 C ATOM 593 C THR A 41 6.564 10.760 18.160 1.00 0.00 C ATOM 594 O THR A 41 6.787 11.852 17.635 1.00 0.00 O ATOM 595 CB THR A 41 4.306 10.795 17.089 1.00 0.00 C ATOM 596 OG1 THR A 41 3.633 11.544 18.085 1.00 0.00 O ATOM 597 CG2 THR A 41 3.262 10.014 16.318 1.00 0.00 C ATOM 0 H THR A 41 5.057 9.536 19.750 1.00 0.00 H new ATOM 0 HA THR A 41 5.733 9.195 16.965 1.00 0.00 H new ATOM 0 HB THR A 41 4.836 11.449 16.396 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.950 12.107 17.665 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.527 10.703 15.901 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.743 9.463 15.510 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.763 9.313 16.988 1.00 0.00 H new ATOM 605 N LYS A 42 7.319 10.256 19.130 1.00 0.00 N ATOM 606 CA LYS A 42 8.479 10.973 19.647 1.00 0.00 C ATOM 607 C LYS A 42 9.685 10.784 18.734 1.00 0.00 C ATOM 608 O LYS A 42 10.513 9.901 18.959 1.00 0.00 O ATOM 609 CB LYS A 42 8.812 10.493 21.060 1.00 0.00 C ATOM 610 CG LYS A 42 7.620 10.498 22.003 1.00 0.00 C ATOM 611 CD LYS A 42 7.520 11.808 22.767 1.00 0.00 C ATOM 612 CE LYS A 42 8.338 11.771 24.047 1.00 0.00 C ATOM 613 NZ LYS A 42 7.653 12.476 25.165 1.00 0.00 N ATOM 0 H LYS A 42 7.149 9.354 19.574 1.00 0.00 H new ATOM 0 HA LYS A 42 8.235 12.035 19.680 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.217 9.482 21.005 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.595 11.128 21.475 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.704 10.336 21.434 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.708 9.671 22.707 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.867 12.626 22.136 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.476 12.012 23.007 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.522 10.735 24.330 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.310 12.231 23.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.244 12.428 26.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.500 13.471 24.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.736 12.022 25.352 1.00 0.00 H new ATOM 627 N GLY A 43 9.779 11.618 17.704 1.00 0.00 N ATOM 628 CA GLY A 43 10.888 11.526 16.774 1.00 0.00 C ATOM 629 C GLY A 43 10.695 12.400 15.550 1.00 0.00 C ATOM 630 O GLY A 43 9.566 12.713 15.173 1.00 0.00 O ATOM 0 H GLY A 43 9.106 12.356 17.497 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.808 11.816 17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.010 10.489 16.460 1.00 0.00 H new ATOM 634 N GLN A 44 11.801 12.794 14.928 1.00 0.00 N ATOM 635 CA GLN A 44 11.751 13.637 13.738 1.00 0.00 C ATOM 636 C GLN A 44 10.974 12.957 12.612 1.00 0.00 C ATOM 637 O GLN A 44 10.491 13.617 11.694 1.00 0.00 O ATOM 638 CB GLN A 44 13.167 13.973 13.266 1.00 0.00 C ATOM 639 CG GLN A 44 14.110 14.361 14.395 1.00 0.00 C ATOM 640 CD GLN A 44 14.670 15.761 14.234 1.00 0.00 C ATOM 641 OE1 GLN A 44 15.844 15.939 13.914 1.00 0.00 O ATOM 642 NE2 GLN A 44 13.829 16.763 14.459 1.00 0.00 N ATOM 0 H GLN A 44 12.743 12.543 15.228 1.00 0.00 H new ATOM 0 HA GLN A 44 11.233 14.559 14.002 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.579 13.112 12.739 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.117 14.792 12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.580 14.293 15.345 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.933 13.647 14.437 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.863 16.569 14.722 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.149 17.727 14.368 1.00 0.00 H new ATOM 651 N GLN A 45 10.859 11.633 12.690 1.00 0.00 N ATOM 652 CA GLN A 45 10.142 10.867 11.679 1.00 0.00 C ATOM 653 C GLN A 45 9.368 9.720 12.322 1.00 0.00 C ATOM 654 O GLN A 45 9.857 8.591 12.398 1.00 0.00 O ATOM 655 CB GLN A 45 11.118 10.320 10.635 1.00 0.00 C ATOM 656 CG GLN A 45 10.532 10.247 9.234 1.00 0.00 C ATOM 657 CD GLN A 45 11.581 10.418 8.154 1.00 0.00 C ATOM 658 OE1 GLN A 45 12.369 9.509 7.889 1.00 0.00 O ATOM 659 NE2 GLN A 45 11.597 11.586 7.523 1.00 0.00 N ATOM 0 H GLN A 45 11.254 11.070 13.444 1.00 0.00 H new ATOM 0 HA GLN A 45 9.433 11.532 11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.007 10.950 10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.440 9.324 10.938 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.033 9.287 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.771 11.019 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.925 12.311 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.281 11.758 6.786 1.00 0.00 H new ATOM 668 N ARG A 46 8.164 10.020 12.790 1.00 0.00 N ATOM 669 CA ARG A 46 7.318 9.023 13.435 1.00 0.00 C ATOM 670 C ARG A 46 6.766 8.020 12.425 1.00 0.00 C ATOM 671 O ARG A 46 6.408 6.901 12.787 1.00 0.00 O ATOM 672 CB ARG A 46 6.165 9.707 14.170 1.00 0.00 C ATOM 673 CG ARG A 46 5.302 10.576 13.269 1.00 0.00 C ATOM 674 CD ARG A 46 4.922 11.881 13.949 1.00 0.00 C ATOM 675 NE ARG A 46 4.891 13.000 13.008 1.00 0.00 N ATOM 676 CZ ARG A 46 5.973 13.663 12.609 1.00 0.00 C ATOM 677 NH1 ARG A 46 7.173 13.326 13.061 1.00 0.00 N ATOM 678 NH2 ARG A 46 5.853 14.669 11.753 1.00 0.00 N ATOM 0 H ARG A 46 7.749 10.950 12.735 1.00 0.00 H new ATOM 0 HA ARG A 46 7.933 8.478 14.151 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.539 8.946 14.635 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.571 10.321 14.974 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.839 10.789 12.345 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.399 10.032 12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.944 11.774 14.418 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.635 12.096 14.745 1.00 0.00 H new ATOM 0 HE ARG A 46 3.986 13.289 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.271 12.553 13.720 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.998 13.839 12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.932 14.933 11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.681 15.179 11.446 1.00 0.00 H new ATOM 692 N PHE A 47 6.682 8.429 11.161 1.00 0.00 N ATOM 693 CA PHE A 47 6.156 7.561 10.111 1.00 0.00 C ATOM 694 C PHE A 47 7.034 6.327 9.907 1.00 0.00 C ATOM 695 O PHE A 47 6.541 5.199 9.888 1.00 0.00 O ATOM 696 CB PHE A 47 6.036 8.337 8.799 1.00 0.00 C ATOM 697 CG PHE A 47 5.379 9.678 8.955 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.069 9.774 9.401 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.068 10.843 8.657 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.461 11.005 9.547 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.464 12.077 8.801 1.00 0.00 C ATOM 702 CZ PHE A 47 4.160 12.160 9.248 1.00 0.00 C ATOM 0 H PHE A 47 6.971 9.353 10.840 1.00 0.00 H new ATOM 0 HA PHE A 47 5.169 7.222 10.425 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.031 8.476 8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.466 7.743 8.085 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.518 8.875 9.637 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.089 10.785 8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.440 11.066 9.894 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.012 12.977 8.564 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.688 13.124 9.364 1.00 0.00 H new ATOM 712 N GLN A 48 8.337 6.542 9.750 1.00 0.00 N ATOM 713 CA GLN A 48 9.267 5.437 9.547 1.00 0.00 C ATOM 714 C GLN A 48 9.426 4.617 10.824 1.00 0.00 C ATOM 715 O GLN A 48 9.482 3.386 10.781 1.00 0.00 O ATOM 716 CB GLN A 48 10.627 5.956 9.078 1.00 0.00 C ATOM 717 CG GLN A 48 11.196 7.062 9.950 1.00 0.00 C ATOM 718 CD GLN A 48 12.427 6.624 10.720 1.00 0.00 C ATOM 719 OE1 GLN A 48 12.380 6.447 11.938 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.536 6.446 10.013 1.00 0.00 N ATOM 0 H GLN A 48 8.770 7.465 9.759 1.00 0.00 H new ATOM 0 HA GLN A 48 8.855 4.790 8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.333 5.126 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.532 6.324 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.449 7.918 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.432 7.395 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.529 6.604 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.395 6.151 10.477 1.00 0.00 H new ATOM 729 N GLN A 49 9.494 5.305 11.959 1.00 0.00 N ATOM 730 CA GLN A 49 9.645 4.639 13.247 1.00 0.00 C ATOM 731 C GLN A 49 8.409 3.808 13.575 1.00 0.00 C ATOM 732 O GLN A 49 8.516 2.634 13.933 1.00 0.00 O ATOM 733 CB GLN A 49 9.889 5.669 14.352 1.00 0.00 C ATOM 734 CG GLN A 49 10.859 5.194 15.423 1.00 0.00 C ATOM 735 CD GLN A 49 10.875 6.102 16.636 1.00 0.00 C ATOM 736 OE1 GLN A 49 10.225 5.823 17.644 1.00 0.00 O ATOM 737 NE2 GLN A 49 11.622 7.197 16.546 1.00 0.00 N ATOM 0 H GLN A 49 9.447 6.322 12.013 1.00 0.00 H new ATOM 0 HA GLN A 49 10.505 3.972 13.186 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.275 6.585 13.905 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.937 5.919 14.821 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.588 4.185 15.732 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.863 5.139 15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.145 7.389 15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.673 7.846 17.332 1.00 0.00 H new ATOM 746 N ILE A 50 7.238 4.423 13.447 1.00 0.00 N ATOM 747 CA ILE A 50 5.983 3.734 13.729 1.00 0.00 C ATOM 748 C ILE A 50 5.833 2.502 12.844 1.00 0.00 C ATOM 749 O ILE A 50 5.354 1.459 13.288 1.00 0.00 O ATOM 750 CB ILE A 50 4.765 4.671 13.537 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.535 4.098 14.244 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.475 4.905 12.060 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.987 2.842 13.601 1.00 0.00 C ATOM 0 H ILE A 50 7.131 5.393 13.151 1.00 0.00 H new ATOM 0 HA ILE A 50 6.012 3.421 14.773 1.00 0.00 H new ATOM 0 HB ILE A 50 5.007 5.635 13.985 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.792 3.881 15.281 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.752 4.856 14.262 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.615 5.567 11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.343 5.364 11.587 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.259 3.952 11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.117 2.497 14.159 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.697 3.057 12.573 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.753 2.066 13.607 1.00 0.00 H new ATOM 765 N TYR A 51 6.255 2.630 11.590 1.00 0.00 N ATOM 766 CA TYR A 51 6.176 1.525 10.644 1.00 0.00 C ATOM 767 C TYR A 51 6.994 0.338 11.136 1.00 0.00 C ATOM 768 O TYR A 51 6.531 -0.802 11.118 1.00 0.00 O ATOM 769 CB TYR A 51 6.671 1.966 9.264 1.00 0.00 C ATOM 770 CG TYR A 51 6.686 0.854 8.239 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.548 0.096 7.994 1.00 0.00 C ATOM 772 CD2 TYR A 51 7.836 0.561 7.518 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.556 -0.923 7.061 1.00 0.00 C ATOM 774 CE2 TYR A 51 7.853 -0.455 6.582 1.00 0.00 C ATOM 775 CZ TYR A 51 6.711 -1.194 6.357 1.00 0.00 C ATOM 776 OH TYR A 51 6.723 -2.209 5.426 1.00 0.00 O ATOM 0 H TYR A 51 6.654 3.487 11.207 1.00 0.00 H new ATOM 0 HA TYR A 51 5.133 1.220 10.563 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.036 2.774 8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.678 2.372 9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.642 0.307 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.733 1.137 7.692 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.663 -1.504 6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.756 -0.669 6.030 1.00 0.00 H new ATOM 0 HH TYR A 51 5.828 -2.308 5.039 1.00 0.00 H new ATOM 786 N TYR A 52 8.215 0.619 11.571 1.00 0.00 N ATOM 787 CA TYR A 52 9.110 -0.419 12.068 1.00 0.00 C ATOM 788 C TYR A 52 8.611 -1.004 13.386 1.00 0.00 C ATOM 789 O TYR A 52 8.956 -2.128 13.743 1.00 0.00 O ATOM 790 CB TYR A 52 10.521 0.142 12.250 1.00 0.00 C ATOM 791 CG TYR A 52 11.324 0.191 10.968 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.677 -0.976 10.301 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.727 1.405 10.426 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.411 -0.933 9.131 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.459 1.455 9.256 1.00 0.00 C ATOM 796 CZ TYR A 52 12.799 0.284 8.612 1.00 0.00 C ATOM 797 OH TYR A 52 13.529 0.329 7.447 1.00 0.00 O ATOM 0 H TYR A 52 8.610 1.559 11.590 1.00 0.00 H new ATOM 0 HA TYR A 52 9.131 -1.220 11.329 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.452 1.148 12.664 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.054 -0.468 12.980 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.373 -1.931 10.703 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.464 2.324 10.928 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.680 -1.849 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.764 2.407 8.847 1.00 0.00 H new ATOM 0 HH TYR A 52 13.720 1.262 7.217 1.00 0.00 H new ATOM 807 N ALA A 53 7.803 -0.240 14.114 1.00 0.00 N ATOM 808 CA ALA A 53 7.279 -0.710 15.389 1.00 0.00 C ATOM 809 C ALA A 53 6.162 -1.725 15.185 1.00 0.00 C ATOM 810 O ALA A 53 6.203 -2.826 15.731 1.00 0.00 O ATOM 811 CB ALA A 53 6.784 0.464 16.220 1.00 0.00 C ATOM 0 H ALA A 53 7.500 0.696 13.846 1.00 0.00 H new ATOM 0 HA ALA A 53 8.088 -1.206 15.925 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.395 0.099 17.170 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.609 1.152 16.406 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.993 0.984 15.680 1.00 0.00 H new ATOM 817 N TYR A 54 5.169 -1.348 14.392 1.00 0.00 N ATOM 818 CA TYR A 54 4.040 -2.228 14.110 1.00 0.00 C ATOM 819 C TYR A 54 4.386 -3.278 13.049 1.00 0.00 C ATOM 820 O TYR A 54 3.545 -4.105 12.697 1.00 0.00 O ATOM 821 CB TYR A 54 2.808 -1.408 13.694 1.00 0.00 C ATOM 822 CG TYR A 54 2.674 -1.173 12.204 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.150 -2.153 11.368 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.065 0.032 11.635 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.021 -1.938 10.009 1.00 0.00 C ATOM 826 CE2 TYR A 54 2.939 0.253 10.277 1.00 0.00 C ATOM 827 CZ TYR A 54 2.417 -0.733 9.470 1.00 0.00 C ATOM 828 OH TYR A 54 2.294 -0.516 8.117 1.00 0.00 O ATOM 0 H TYR A 54 5.121 -0.439 13.932 1.00 0.00 H new ATOM 0 HA TYR A 54 3.804 -2.766 15.028 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.913 -1.919 14.049 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.845 -0.442 14.198 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.839 -3.098 11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.474 0.809 12.264 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.612 -2.710 9.373 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.249 1.195 9.850 1.00 0.00 H new ATOM 0 HH TYR A 54 3.183 -0.509 7.705 1.00 0.00 H new ATOM 838 N ARG A 55 5.616 -3.246 12.533 1.00 0.00 N ATOM 839 CA ARG A 55 6.031 -4.202 11.509 1.00 0.00 C ATOM 840 C ARG A 55 5.775 -5.637 11.963 1.00 0.00 C ATOM 841 O ARG A 55 6.488 -6.171 12.813 1.00 0.00 O ATOM 842 CB ARG A 55 7.511 -4.012 11.158 1.00 0.00 C ATOM 843 CG ARG A 55 8.468 -4.385 12.279 1.00 0.00 C ATOM 844 CD ARG A 55 9.053 -5.774 12.082 1.00 0.00 C ATOM 845 NE ARG A 55 10.471 -5.725 11.729 1.00 0.00 N ATOM 846 CZ ARG A 55 11.420 -5.259 12.538 1.00 0.00 C ATOM 847 NH1 ARG A 55 11.109 -4.809 13.748 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.684 -5.246 12.137 1.00 0.00 N ATOM 0 H ARG A 55 6.335 -2.575 12.805 1.00 0.00 H new ATOM 0 HA ARG A 55 5.435 -4.014 10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.745 -4.614 10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.678 -2.970 10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.275 -3.654 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.944 -4.343 13.234 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.927 -6.354 12.996 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.502 -6.292 11.297 1.00 0.00 H new ATOM 0 HE ARG A 55 10.749 -6.068 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.139 -4.819 14.062 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.841 -4.453 14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.928 -5.593 11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.412 -4.889 12.756 1.00 0.00 H new ATOM 862 N SER A 56 4.743 -6.252 11.390 1.00 0.00 N ATOM 863 CA SER A 56 4.374 -7.625 11.725 1.00 0.00 C ATOM 864 C SER A 56 3.012 -7.977 11.136 1.00 0.00 C ATOM 865 O SER A 56 2.765 -9.121 10.756 1.00 0.00 O ATOM 866 CB SER A 56 4.348 -7.821 13.243 1.00 0.00 C ATOM 867 OG SER A 56 4.003 -6.618 13.908 1.00 0.00 O ATOM 0 H SER A 56 4.144 -5.818 10.687 1.00 0.00 H new ATOM 0 HA SER A 56 5.125 -8.289 11.296 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.631 -8.600 13.500 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.325 -8.162 13.585 1.00 0.00 H new ATOM 0 HG SER A 56 3.992 -6.771 14.876 1.00 0.00 H new ATOM 873 N VAL A 57 2.130 -6.985 11.069 1.00 0.00 N ATOM 874 CA VAL A 57 0.790 -7.186 10.532 1.00 0.00 C ATOM 875 C VAL A 57 0.811 -7.318 9.011 1.00 0.00 C ATOM 876 O VAL A 57 -0.087 -7.919 8.421 1.00 0.00 O ATOM 877 CB VAL A 57 -0.151 -6.028 10.922 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.323 -5.964 12.431 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.373 -4.706 10.382 1.00 0.00 C ATOM 0 H VAL A 57 2.320 -6.033 11.381 1.00 0.00 H new ATOM 0 HA VAL A 57 0.417 -8.114 10.965 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.128 -6.214 10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.990 -5.141 12.687 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.749 -6.901 12.789 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.647 -5.804 12.901 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.305 -3.902 10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.362 -4.511 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.438 -4.757 9.295 1.00 0.00 H new ATOM 889 N TRP A 58 1.836 -6.750 8.379 1.00 0.00 N ATOM 890 CA TRP A 58 1.959 -6.807 6.926 1.00 0.00 C ATOM 891 C TRP A 58 3.203 -7.587 6.506 1.00 0.00 C ATOM 892 O TRP A 58 3.110 -8.750 6.109 1.00 0.00 O ATOM 893 CB TRP A 58 2.002 -5.390 6.343 1.00 0.00 C ATOM 894 CG TRP A 58 0.885 -5.111 5.384 1.00 0.00 C ATOM 895 CD1 TRP A 58 -0.372 -5.641 5.410 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.928 -4.235 4.251 1.00 0.00 C ATOM 897 NE1 TRP A 58 -1.116 -5.148 4.365 1.00 0.00 N ATOM 898 CE2 TRP A 58 -0.340 -4.282 3.640 1.00 0.00 C ATOM 899 CE3 TRP A 58 1.913 -3.414 3.696 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -0.645 -3.541 2.502 1.00 0.00 C ATOM 901 CZ3 TRP A 58 1.608 -2.678 2.566 1.00 0.00 C ATOM 902 CH2 TRP A 58 0.337 -2.746 1.979 1.00 0.00 C ATOM 0 H TRP A 58 2.589 -6.248 8.848 1.00 0.00 H new ATOM 0 HA TRP A 58 1.086 -7.328 6.534 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.961 -4.668 7.158 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.954 -5.243 5.834 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.730 -6.346 6.145 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.087 -5.387 4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.895 -3.355 4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.623 -3.592 2.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.362 -2.040 2.128 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.129 -2.159 1.097 1.00 0.00 H new ATOM 913 N HIS A 59 4.363 -6.943 6.589 1.00 0.00 N ATOM 914 CA HIS A 59 5.618 -7.582 6.210 1.00 0.00 C ATOM 915 C HIS A 59 6.791 -7.006 7.004 1.00 0.00 C ATOM 916 O HIS A 59 7.206 -5.871 6.770 1.00 0.00 O ATOM 917 CB HIS A 59 5.868 -7.405 4.712 1.00 0.00 C ATOM 918 CG HIS A 59 5.464 -8.590 3.891 1.00 0.00 C ATOM 919 ND1 HIS A 59 5.594 -9.891 4.331 1.00 0.00 N ATOM 920 CD2 HIS A 59 4.927 -8.667 2.651 1.00 0.00 C ATOM 921 CE1 HIS A 59 5.156 -10.716 3.396 1.00 0.00 C ATOM 922 NE2 HIS A 59 4.746 -9.998 2.366 1.00 0.00 N ATOM 0 H HIS A 59 4.460 -5.981 6.915 1.00 0.00 H new ATOM 0 HA HIS A 59 5.538 -8.645 6.439 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.322 -6.529 4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.927 -7.206 4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.686 -7.836 2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.137 -11.794 3.463 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.358 -10.371 1.500 1.00 0.00 H new ATOM 931 N PRO A 60 7.346 -7.781 7.955 1.00 0.00 N ATOM 932 CA PRO A 60 8.477 -7.335 8.778 1.00 0.00 C ATOM 933 C PRO A 60 9.727 -7.070 7.946 1.00 0.00 C ATOM 934 O PRO A 60 10.514 -7.980 7.685 1.00 0.00 O ATOM 935 CB PRO A 60 8.717 -8.507 9.741 1.00 0.00 C ATOM 936 CG PRO A 60 7.471 -9.322 9.689 1.00 0.00 C ATOM 937 CD PRO A 60 6.920 -9.144 8.305 1.00 0.00 C ATOM 0 HA PRO A 60 8.260 -6.394 9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.584 -9.094 9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.912 -8.151 10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.682 -10.372 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.755 -8.989 10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.322 -9.883 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.835 -9.246 8.286 1.00 0.00 H new ATOM 945 N ALA A 61 9.908 -5.818 7.533 1.00 0.00 N ATOM 946 CA ALA A 61 11.066 -5.437 6.732 1.00 0.00 C ATOM 947 C ALA A 61 11.063 -3.942 6.435 1.00 0.00 C ATOM 948 O ALA A 61 10.052 -3.263 6.619 1.00 0.00 O ATOM 949 CB ALA A 61 11.095 -6.234 5.435 1.00 0.00 C ATOM 0 H ALA A 61 9.268 -5.051 7.740 1.00 0.00 H new ATOM 0 HA ALA A 61 11.964 -5.664 7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.964 -5.940 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.154 -7.298 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.187 -6.035 4.865 1.00 0.00 H new ATOM 955 N ARG A 62 12.201 -3.434 5.971 1.00 0.00 N ATOM 956 CA ARG A 62 12.333 -2.018 5.645 1.00 0.00 C ATOM 957 C ARG A 62 11.472 -1.661 4.438 1.00 0.00 C ATOM 958 O ARG A 62 11.587 -2.276 3.377 1.00 0.00 O ATOM 959 CB ARG A 62 13.795 -1.670 5.368 1.00 0.00 C ATOM 960 CG ARG A 62 14.739 -2.072 6.490 1.00 0.00 C ATOM 961 CD ARG A 62 16.100 -1.414 6.338 1.00 0.00 C ATOM 962 NE ARG A 62 17.113 -2.355 5.863 1.00 0.00 N ATOM 963 CZ ARG A 62 17.718 -3.248 6.642 1.00 0.00 C ATOM 964 NH1 ARG A 62 17.414 -3.328 7.931 1.00 0.00 N ATOM 965 NH2 ARG A 62 18.628 -4.065 6.130 1.00 0.00 N ATOM 0 H ARG A 62 13.046 -3.983 5.812 1.00 0.00 H new ATOM 0 HA ARG A 62 11.989 -1.437 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.109 -2.161 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.879 -0.596 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.304 -1.793 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.857 -3.156 6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.024 -0.580 5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.411 -0.999 7.297 1.00 0.00 H new ATOM 0 HE ARG A 62 17.371 -2.325 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.713 -2.703 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.881 -4.015 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.864 -4.009 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.092 -4.750 6.727 1.00 0.00 H new ATOM 979 N THR A 63 10.607 -0.666 4.606 1.00 0.00 N ATOM 980 CA THR A 63 9.724 -0.229 3.530 1.00 0.00 C ATOM 981 C THR A 63 9.101 1.125 3.853 1.00 0.00 C ATOM 982 O THR A 63 7.923 1.358 3.575 1.00 0.00 O ATOM 983 CB THR A 63 8.623 -1.265 3.290 1.00 0.00 C ATOM 984 OG1 THR A 63 8.957 -2.507 3.885 1.00 0.00 O ATOM 985 CG2 THR A 63 8.352 -1.520 1.822 1.00 0.00 C ATOM 0 H THR A 63 10.498 -0.147 5.477 1.00 0.00 H new ATOM 0 HA THR A 63 10.321 -0.128 2.624 1.00 0.00 H new ATOM 0 HB THR A 63 7.727 -0.840 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.289 -2.734 4.565 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.562 -2.264 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.040 -0.592 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.259 -1.888 1.343 1.00 0.00 H new ATOM 993 N VAL A 64 9.894 2.019 4.435 1.00 0.00 N ATOM 994 CA VAL A 64 9.411 3.349 4.787 1.00 0.00 C ATOM 995 C VAL A 64 8.842 4.058 3.562 1.00 0.00 C ATOM 996 O VAL A 64 7.883 4.823 3.665 1.00 0.00 O ATOM 997 CB VAL A 64 10.529 4.211 5.409 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.027 5.616 5.713 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.062 3.548 6.669 1.00 0.00 C ATOM 0 H VAL A 64 10.871 1.847 4.672 1.00 0.00 H new ATOM 0 HA VAL A 64 8.622 3.220 5.528 1.00 0.00 H new ATOM 0 HB VAL A 64 11.342 4.294 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.834 6.204 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.692 6.090 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.196 5.561 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.851 4.165 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.253 3.437 7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.465 2.566 6.421 1.00 0.00 H new ATOM 1009 N SER A 65 9.429 3.786 2.400 1.00 0.00 N ATOM 1010 CA SER A 65 8.965 4.387 1.156 1.00 0.00 C ATOM 1011 C SER A 65 7.518 3.993 0.898 1.00 0.00 C ATOM 1012 O SER A 65 6.658 4.845 0.655 1.00 0.00 O ATOM 1013 CB SER A 65 9.846 3.946 -0.015 1.00 0.00 C ATOM 1014 OG SER A 65 10.031 5.003 -0.941 1.00 0.00 O ATOM 0 H SER A 65 10.224 3.156 2.295 1.00 0.00 H new ATOM 0 HA SER A 65 9.029 5.471 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.814 3.613 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.388 3.094 -0.518 1.00 0.00 H new ATOM 0 HG SER A 65 10.599 4.696 -1.679 1.00 0.00 H new ATOM 1020 N GLN A 66 7.253 2.696 0.980 1.00 0.00 N ATOM 1021 CA GLN A 66 5.906 2.182 0.779 1.00 0.00 C ATOM 1022 C GLN A 66 4.955 2.823 1.781 1.00 0.00 C ATOM 1023 O GLN A 66 3.810 3.141 1.458 1.00 0.00 O ATOM 1024 CB GLN A 66 5.887 0.660 0.932 1.00 0.00 C ATOM 1025 CG GLN A 66 6.002 -0.086 -0.389 1.00 0.00 C ATOM 1026 CD GLN A 66 4.705 -0.083 -1.173 1.00 0.00 C ATOM 1027 OE1 GLN A 66 4.259 0.959 -1.654 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.092 -1.253 -1.307 1.00 0.00 N ATOM 0 H GLN A 66 7.952 1.982 1.184 1.00 0.00 H new ATOM 0 HA GLN A 66 5.581 2.431 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.708 0.358 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.962 0.364 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.788 0.369 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.304 -1.116 -0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.498 -2.092 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.216 -1.313 -1.825 1.00 0.00 H new ATOM 1037 N LEU A 67 5.453 3.026 2.998 1.00 0.00 N ATOM 1038 CA LEU A 67 4.669 3.645 4.058 1.00 0.00 C ATOM 1039 C LEU A 67 4.165 5.008 3.615 1.00 0.00 C ATOM 1040 O LEU A 67 2.975 5.307 3.717 1.00 0.00 O ATOM 1041 CB LEU A 67 5.514 3.786 5.327 1.00 0.00 C ATOM 1042 CG LEU A 67 4.726 3.840 6.634 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.681 4.944 6.582 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.073 2.496 6.917 1.00 0.00 C ATOM 0 H LEU A 67 6.401 2.769 3.273 1.00 0.00 H new ATOM 0 HA LEU A 67 3.812 3.007 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.209 2.948 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.113 4.693 5.246 1.00 0.00 H new ATOM 0 HG LEU A 67 5.418 4.063 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.129 4.967 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.173 5.904 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.990 4.753 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.516 2.552 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.393 2.243 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.842 1.728 6.999 1.00 0.00 H new ATOM 1056 N TYR A 68 5.075 5.821 3.107 1.00 0.00 N ATOM 1057 CA TYR A 68 4.723 7.148 2.627 1.00 0.00 C ATOM 1058 C TYR A 68 3.728 7.042 1.479 1.00 0.00 C ATOM 1059 O TYR A 68 2.913 7.938 1.263 1.00 0.00 O ATOM 1060 CB TYR A 68 5.975 7.901 2.170 1.00 0.00 C ATOM 1061 CG TYR A 68 6.782 8.501 3.303 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.830 7.895 4.553 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.497 9.678 3.119 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.569 8.443 5.586 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.238 10.232 4.146 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.272 9.612 5.376 1.00 0.00 C ATOM 1067 OH TYR A 68 9.009 10.161 6.399 1.00 0.00 O ATOM 0 H TYR A 68 6.063 5.586 3.016 1.00 0.00 H new ATOM 0 HA TYR A 68 4.263 7.703 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.611 7.219 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.678 8.697 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.281 6.980 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.473 10.168 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.596 7.959 6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.788 11.147 3.985 1.00 0.00 H new ATOM 0 HH TYR A 68 9.444 10.982 6.085 1.00 0.00 H new ATOM 1077 N ASP A 69 3.802 5.934 0.742 1.00 0.00 N ATOM 1078 CA ASP A 69 2.909 5.709 -0.388 1.00 0.00 C ATOM 1079 C ASP A 69 1.464 5.541 0.067 1.00 0.00 C ATOM 1080 O ASP A 69 0.563 6.195 -0.459 1.00 0.00 O ATOM 1081 CB ASP A 69 3.358 4.483 -1.188 1.00 0.00 C ATOM 1082 CG ASP A 69 4.009 4.860 -2.505 1.00 0.00 C ATOM 1083 OD1 ASP A 69 3.271 5.106 -3.482 1.00 0.00 O ATOM 1084 OD2 ASP A 69 5.255 4.909 -2.559 1.00 0.00 O ATOM 0 H ASP A 69 4.470 5.182 0.909 1.00 0.00 H new ATOM 0 HA ASP A 69 2.958 6.589 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.061 3.901 -0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.497 3.843 -1.381 1.00 0.00 H new ATOM 1089 N HIS A 70 1.242 4.680 1.054 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.112 4.467 1.564 1.00 0.00 C ATOM 1091 C HIS A 70 -0.523 5.644 2.435 1.00 0.00 C ATOM 1092 O HIS A 70 -1.695 6.016 2.487 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.243 3.160 2.366 1.00 0.00 C ATOM 1094 CG HIS A 70 0.956 2.266 2.324 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.815 2.120 3.388 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.427 1.456 1.347 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.763 1.259 3.071 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.552 0.839 1.837 1.00 0.00 N ATOM 0 H HIS A 70 1.966 4.126 1.512 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.773 4.386 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.454 3.410 3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.103 2.606 1.990 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.732 2.602 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.998 1.320 0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.575 0.950 3.713 1.00 0.00 H new ATOM 1107 N TRP A 71 0.458 6.229 3.111 1.00 0.00 N ATOM 1108 CA TRP A 71 0.215 7.371 3.975 1.00 0.00 C ATOM 1109 C TRP A 71 -0.075 8.620 3.146 1.00 0.00 C ATOM 1110 O TRP A 71 -0.792 9.517 3.590 1.00 0.00 O ATOM 1111 CB TRP A 71 1.418 7.602 4.890 1.00 0.00 C ATOM 1112 CG TRP A 71 1.049 8.170 6.225 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.533 9.316 6.793 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.118 7.622 7.163 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.958 9.510 8.025 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.086 8.484 8.276 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.695 6.483 7.170 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.725 8.244 9.382 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -1.500 6.245 8.269 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -1.510 7.122 9.363 1.00 0.00 C ATOM 0 H TRP A 71 1.432 5.928 3.075 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.659 7.162 4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.940 6.656 5.037 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.116 8.278 4.396 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.261 9.972 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.149 10.292 8.652 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.694 5.802 6.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.735 8.919 10.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.132 5.369 8.285 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.149 6.909 10.207 1.00 0.00 H new ATOM 1131 N ARG A 72 0.478 8.668 1.935 1.00 0.00 N ATOM 1132 CA ARG A 72 0.265 9.806 1.047 1.00 0.00 C ATOM 1133 C ARG A 72 -1.105 9.721 0.387 1.00 0.00 C ATOM 1134 O ARG A 72 -1.798 10.728 0.233 1.00 0.00 O ATOM 1135 CB ARG A 72 1.355 9.864 -0.025 1.00 0.00 C ATOM 1136 CG ARG A 72 2.597 10.628 0.406 1.00 0.00 C ATOM 1137 CD ARG A 72 3.658 10.629 -0.684 1.00 0.00 C ATOM 1138 NE ARG A 72 4.278 11.943 -0.840 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.729 12.947 -1.520 1.00 0.00 C ATOM 1140 NH1 ARG A 72 2.549 12.793 -2.107 1.00 0.00 N ATOM 1141 NH2 ARG A 72 4.361 14.109 -1.612 1.00 0.00 N ATOM 0 H ARG A 72 1.074 7.935 1.549 1.00 0.00 H new ATOM 0 HA ARG A 72 0.312 10.715 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.640 8.847 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.946 10.330 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.326 11.655 0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.005 10.180 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.425 9.892 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.208 10.326 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 72 5.186 12.100 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.058 11.902 -2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.133 13.566 -2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.268 14.233 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.940 14.878 -2.133 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.489 8.510 0.000 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.776 8.307 -0.639 1.00 0.00 C ATOM 1157 C GLY A 73 -3.927 8.353 0.349 1.00 0.00 C ATOM 1158 O GLY A 73 -5.051 8.701 -0.014 1.00 0.00 O ATOM 0 H GLY A 73 -0.931 7.664 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.925 9.072 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.777 7.344 -1.149 1.00 0.00 H new ATOM 1162 N THR A 74 -3.647 7.998 1.599 1.00 0.00 N ATOM 1163 CA THR A 74 -4.669 7.999 2.639 1.00 0.00 C ATOM 1164 C THR A 74 -4.928 9.415 3.145 1.00 0.00 C ATOM 1165 O THR A 74 -6.076 9.830 3.296 1.00 0.00 O ATOM 1166 CB THR A 74 -4.245 7.098 3.801 1.00 0.00 C ATOM 1167 OG1 THR A 74 -4.007 5.777 3.350 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.274 7.024 4.909 1.00 0.00 C ATOM 0 H THR A 74 -2.722 7.706 1.916 1.00 0.00 H new ATOM 0 HA THR A 74 -5.592 7.612 2.208 1.00 0.00 H new ATOM 0 HB THR A 74 -3.337 7.551 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.049 5.657 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.910 6.369 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.445 8.022 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.209 6.628 4.512 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.851 10.153 3.403 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.964 11.522 3.891 1.00 0.00 C ATOM 1178 C LEU A 75 -4.741 12.389 2.904 1.00 0.00 C ATOM 1179 O LEU A 75 -5.418 13.339 3.296 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.573 12.115 4.132 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.144 12.185 5.597 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -3.033 13.149 6.369 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.181 10.802 6.229 1.00 0.00 C ATOM 0 H LEU A 75 -2.893 9.825 3.282 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.510 11.503 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.842 11.521 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.546 13.121 3.713 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.120 12.555 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.712 13.185 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.957 14.144 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.067 12.809 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.873 10.870 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.195 10.405 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.502 10.139 5.693 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.636 12.056 1.621 1.00 0.00 N ATOM 1196 CA ARG A 76 -5.330 12.804 0.578 1.00 0.00 C ATOM 1197 C ARG A 76 -6.541 12.030 0.069 1.00 0.00 C ATOM 1198 O ARG A 76 -6.809 10.915 0.515 1.00 0.00 O ATOM 1199 CB ARG A 76 -4.378 13.104 -0.582 1.00 0.00 C ATOM 1200 CG ARG A 76 -3.482 14.307 -0.338 1.00 0.00 C ATOM 1201 CD ARG A 76 -4.277 15.603 -0.346 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.429 16.766 -0.090 1.00 0.00 N ATOM 1203 CZ ARG A 76 -2.550 17.249 -0.964 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -2.400 16.674 -2.153 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -1.820 18.310 -0.651 1.00 0.00 N ATOM 0 H ARG A 76 -4.078 11.274 1.279 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.676 13.744 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.755 12.229 -0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.963 13.274 -1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.974 14.196 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.709 14.348 -1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.771 15.720 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.061 15.552 0.410 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.516 17.235 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.960 15.858 -2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.725 17.049 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.932 18.756 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.146 18.681 -1.321 1.00 0.00 H new ATOM 1219 N TYR A 77 -7.270 12.629 -0.866 1.00 0.00 N ATOM 1220 CA TYR A 77 -8.454 11.994 -1.435 1.00 0.00 C ATOM 1221 C TYR A 77 -8.769 12.570 -2.813 1.00 0.00 C ATOM 1222 O TYR A 77 -9.930 12.660 -3.208 1.00 0.00 O ATOM 1223 CB TYR A 77 -9.654 12.177 -0.503 1.00 0.00 C ATOM 1224 CG TYR A 77 -10.343 10.881 -0.142 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -10.688 9.958 -1.123 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -10.647 10.578 1.180 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -11.316 8.772 -0.795 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -11.275 9.394 1.514 1.00 0.00 C ATOM 1229 CZ TYR A 77 -11.608 8.494 0.524 1.00 0.00 C ATOM 1230 OH TYR A 77 -12.233 7.313 0.852 1.00 0.00 O ATOM 0 H TYR A 77 -7.063 13.553 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.249 10.929 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.322 12.669 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.375 12.842 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.462 10.171 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.388 11.280 1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.577 8.065 -1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.504 9.174 2.546 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.365 7.271 1.822 1.00 0.00 H new ATOM 1240 N LYS A 78 -7.726 12.956 -3.540 1.00 0.00 N ATOM 1241 CA LYS A 78 -7.890 13.522 -4.874 1.00 0.00 C ATOM 1242 C LYS A 78 -7.000 12.805 -5.883 1.00 0.00 C ATOM 1243 O LYS A 78 -5.848 13.184 -6.090 1.00 0.00 O ATOM 1244 CB LYS A 78 -7.565 15.017 -4.861 1.00 0.00 C ATOM 1245 CG LYS A 78 -8.308 15.792 -3.783 1.00 0.00 C ATOM 1246 CD LYS A 78 -8.908 17.078 -4.332 1.00 0.00 C ATOM 1247 CE LYS A 78 -7.844 18.145 -4.538 1.00 0.00 C ATOM 1248 NZ LYS A 78 -8.087 18.940 -5.774 1.00 0.00 N ATOM 0 H LYS A 78 -6.757 12.887 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.929 13.386 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.492 15.146 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.808 15.442 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.100 15.169 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.625 16.028 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.407 16.873 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.668 17.449 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.826 18.811 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.863 17.673 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.340 19.656 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.079 18.308 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.012 19.411 -5.708 1.00 0.00 H new ATOM 1262 N VAL A 79 -7.542 11.764 -6.508 1.00 0.00 N ATOM 1263 CA VAL A 79 -6.797 10.993 -7.496 1.00 0.00 C ATOM 1264 C VAL A 79 -7.737 10.165 -8.368 1.00 0.00 C ATOM 1265 O VAL A 79 -8.599 9.447 -7.861 1.00 0.00 O ATOM 1266 CB VAL A 79 -5.773 10.059 -6.821 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -6.476 9.052 -5.922 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -4.924 9.350 -7.867 1.00 0.00 C ATOM 0 H VAL A 79 -8.494 11.436 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.264 11.707 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.113 10.665 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.736 8.402 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.033 9.581 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.163 8.450 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.207 8.695 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.568 8.757 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.388 10.089 -8.463 1.00 0.00 H new ATOM 1278 N ILE A 80 -7.565 10.270 -9.681 1.00 0.00 N ATOM 1279 CA ILE A 80 -8.397 9.532 -10.624 1.00 0.00 C ATOM 1280 C ILE A 80 -7.542 8.779 -11.641 1.00 0.00 C ATOM 1281 O ILE A 80 -7.775 8.862 -12.847 1.00 0.00 O ATOM 1282 CB ILE A 80 -9.363 10.471 -11.373 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -8.602 11.659 -11.960 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -10.467 10.947 -10.440 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -9.080 12.061 -13.338 1.00 0.00 C ATOM 0 H ILE A 80 -6.856 10.860 -10.117 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.977 8.815 -10.042 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.821 9.919 -12.194 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.700 12.511 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.541 11.412 -12.010 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.142 11.609 -10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.024 10.087 -10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.027 11.486 -9.601 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.496 12.910 -13.692 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.957 11.223 -14.025 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.133 12.339 -13.291 1.00 0.00 H new ATOM 1297 N GLN A 81 -6.552 8.045 -11.144 1.00 0.00 N ATOM 1298 CA GLN A 81 -5.662 7.278 -12.007 1.00 0.00 C ATOM 1299 C GLN A 81 -6.008 5.793 -11.965 1.00 0.00 C ATOM 1300 O GLN A 81 -5.898 5.091 -12.969 1.00 0.00 O ATOM 1301 CB GLN A 81 -4.206 7.487 -11.588 1.00 0.00 C ATOM 1302 CG GLN A 81 -3.751 8.935 -11.666 1.00 0.00 C ATOM 1303 CD GLN A 81 -2.328 9.128 -11.180 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -2.059 9.082 -9.980 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -1.408 9.345 -12.113 1.00 0.00 N ATOM 0 H GLN A 81 -6.346 7.965 -10.148 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.793 7.633 -13.029 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.076 7.129 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.563 6.878 -12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.829 9.281 -12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.421 9.555 -11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.676 9.375 -13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.433 9.482 -11.846 1.00 0.00 H new ATOM 1314 N GLN A 82 -6.429 5.322 -10.795 1.00 0.00 N ATOM 1315 CA GLN A 82 -6.792 3.921 -10.622 1.00 0.00 C ATOM 1316 C GLN A 82 -8.298 3.727 -10.757 1.00 0.00 C ATOM 1317 O GLN A 82 -9.084 4.494 -10.199 1.00 0.00 O ATOM 1318 CB GLN A 82 -6.322 3.416 -9.255 1.00 0.00 C ATOM 1319 CG GLN A 82 -6.040 1.922 -9.224 1.00 0.00 C ATOM 1320 CD GLN A 82 -4.588 1.608 -8.924 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -4.230 1.287 -7.790 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -3.741 1.697 -9.944 1.00 0.00 N ATOM 0 H GLN A 82 -6.527 5.890 -9.954 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.299 3.345 -11.405 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.418 3.954 -8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.082 3.650 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.672 1.452 -8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.311 1.485 -10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.081 1.967 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.751 1.496 -9.804 1.00 0.00 H new ATOM 1331 N GLN A 83 -8.694 2.701 -11.500 1.00 0.00 N ATOM 1332 CA GLN A 83 -10.107 2.407 -11.709 1.00 0.00 C ATOM 1333 C GLN A 83 -10.330 0.912 -11.911 1.00 0.00 C ATOM 1334 O GLN A 83 -9.417 0.187 -12.307 1.00 0.00 O ATOM 1335 CB GLN A 83 -10.637 3.182 -12.918 1.00 0.00 C ATOM 1336 CG GLN A 83 -9.926 2.841 -14.218 1.00 0.00 C ATOM 1337 CD GLN A 83 -10.789 2.021 -15.157 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -11.765 2.521 -15.717 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -10.432 0.755 -15.335 1.00 0.00 N ATOM 0 H GLN A 83 -8.056 2.058 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.652 2.719 -10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.702 2.978 -13.032 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.535 4.250 -12.727 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.627 3.763 -14.717 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.013 2.289 -13.995 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.615 0.382 -14.850 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.974 0.155 -15.956 1.00 0.00 H new ATOM 1348 N GLY A 84 -11.549 0.458 -11.637 1.00 0.00 N ATOM 1349 CA GLY A 84 -11.869 -0.949 -11.795 1.00 0.00 C ATOM 1350 C GLY A 84 -11.475 -1.772 -10.585 1.00 0.00 C ATOM 1351 O GLY A 84 -10.440 -1.523 -9.967 1.00 0.00 O ATOM 0 H GLY A 84 -12.320 1.039 -11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.939 -1.058 -11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.359 -1.338 -12.677 1.00 0.00 H new ATOM 1355 N TYR A 85 -12.302 -2.754 -10.246 1.00 0.00 N ATOM 1356 CA TYR A 85 -12.035 -3.619 -9.102 1.00 0.00 C ATOM 1357 C TYR A 85 -12.573 -5.026 -9.343 1.00 0.00 C ATOM 1358 O TYR A 85 -13.779 -5.223 -9.490 1.00 0.00 O ATOM 1359 CB TYR A 85 -12.659 -3.028 -7.835 1.00 0.00 C ATOM 1360 CG TYR A 85 -11.715 -2.990 -6.655 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -10.473 -2.375 -6.755 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -12.064 -3.568 -5.440 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -9.607 -2.339 -5.678 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -11.204 -3.535 -4.361 1.00 0.00 C ATOM 1365 CZ TYR A 85 -9.977 -2.920 -4.484 1.00 0.00 C ATOM 1366 OH TYR A 85 -9.116 -2.885 -3.412 1.00 0.00 O ATOM 0 H TYR A 85 -13.163 -2.972 -10.747 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.955 -3.684 -8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.002 -2.015 -8.048 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -13.539 -3.613 -7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.180 -1.918 -7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -13.025 -4.051 -5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.645 -1.858 -5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.491 -3.989 -3.424 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.528 -3.338 -2.647 1.00 0.00 H new ATOM 1376 N ARG A 86 -11.669 -6.000 -9.383 1.00 0.00 N ATOM 1377 CA ARG A 86 -12.052 -7.389 -9.608 1.00 0.00 C ATOM 1378 C ARG A 86 -10.971 -8.337 -9.102 1.00 0.00 C ATOM 1379 O ARG A 86 -10.727 -9.389 -9.691 1.00 0.00 O ATOM 1380 CB ARG A 86 -12.307 -7.636 -11.096 1.00 0.00 C ATOM 1381 CG ARG A 86 -13.443 -8.612 -11.365 1.00 0.00 C ATOM 1382 CD ARG A 86 -12.919 -9.977 -11.780 1.00 0.00 C ATOM 1383 NE ARG A 86 -12.083 -9.903 -12.976 1.00 0.00 N ATOM 1384 CZ ARG A 86 -11.706 -10.964 -13.685 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -12.087 -12.183 -13.322 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -10.947 -10.807 -14.761 1.00 0.00 N ATOM 0 H ARG A 86 -10.667 -5.853 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.970 -7.582 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.533 -6.686 -11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.395 -8.018 -11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.056 -8.714 -10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.087 -8.215 -12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.343 -10.408 -10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.759 -10.646 -11.966 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.770 -8.983 -13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.672 -12.310 -12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.795 -12.993 -13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.652 -9.873 -15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.658 -11.620 -15.304 1.00 0.00 H new ATOM 1400 N GLY A 87 -10.325 -7.958 -8.003 1.00 0.00 N ATOM 1401 CA GLY A 87 -9.277 -8.784 -7.434 1.00 0.00 C ATOM 1402 C GLY A 87 -9.488 -9.056 -5.958 1.00 0.00 C ATOM 1403 O GLY A 87 -8.528 -9.256 -5.214 1.00 0.00 O ATOM 0 H GLY A 87 -10.510 -7.092 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.233 -9.731 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.315 -8.292 -7.575 1.00 0.00 H new ATOM 1407 N LYS A 88 -10.747 -9.062 -5.534 1.00 0.00 N ATOM 1408 CA LYS A 88 -11.081 -9.312 -4.136 1.00 0.00 C ATOM 1409 C LYS A 88 -12.539 -9.734 -3.990 1.00 0.00 C ATOM 1410 O LYS A 88 -13.432 -8.894 -3.896 1.00 0.00 O ATOM 1411 CB LYS A 88 -10.814 -8.061 -3.295 1.00 0.00 C ATOM 1412 CG LYS A 88 -10.987 -8.287 -1.801 1.00 0.00 C ATOM 1413 CD LYS A 88 -10.076 -9.392 -1.294 1.00 0.00 C ATOM 1414 CE LYS A 88 -9.649 -9.145 0.144 1.00 0.00 C ATOM 1415 NZ LYS A 88 -9.089 -10.373 0.776 1.00 0.00 N ATOM 0 H LYS A 88 -11.553 -8.897 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.449 -10.125 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.799 -7.714 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.489 -7.267 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.772 -7.363 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.025 -8.544 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.591 -10.350 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.194 -9.459 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.903 -8.351 0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.505 -8.797 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.810 -10.163 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.809 -11.123 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.257 -10.691 0.239 1.00 0.00 H new ATOM 1429 N ASN A 89 -12.772 -11.043 -3.976 1.00 0.00 N ATOM 1430 CA ASN A 89 -14.122 -11.578 -3.843 1.00 0.00 C ATOM 1431 C ASN A 89 -14.107 -12.914 -3.109 1.00 0.00 C ATOM 1432 O ASN A 89 -14.762 -13.077 -2.080 1.00 0.00 O ATOM 1433 CB ASN A 89 -14.765 -11.743 -5.222 1.00 0.00 C ATOM 1434 CG ASN A 89 -15.723 -10.616 -5.552 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -16.898 -10.657 -5.189 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -15.223 -9.600 -6.247 1.00 0.00 N ATOM 0 H ASN A 89 -12.043 -11.752 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.712 -10.872 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.984 -11.786 -5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.299 -12.693 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -15.820 -8.813 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.242 -9.607 -6.527 1.00 0.00 H new ATOM 1443 N SER A 90 -13.354 -13.871 -3.645 1.00 0.00 N ATOM 1444 CA SER A 90 -13.254 -15.193 -3.040 1.00 0.00 C ATOM 1445 C SER A 90 -12.061 -15.959 -3.603 1.00 0.00 C ATOM 1446 O SER A 90 -11.261 -16.519 -2.853 1.00 0.00 O ATOM 1447 CB SER A 90 -14.541 -15.984 -3.278 1.00 0.00 C ATOM 1448 OG SER A 90 -14.637 -16.411 -4.625 1.00 0.00 O ATOM 0 H SER A 90 -12.805 -13.754 -4.497 1.00 0.00 H new ATOM 0 HA SER A 90 -13.108 -15.065 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.567 -16.850 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.403 -15.366 -3.027 1.00 0.00 H new ATOM 0 HG SER A 90 -15.468 -16.916 -4.750 1.00 0.00 H new ATOM 1454 N VAL A 91 -11.949 -15.981 -4.926 1.00 0.00 N ATOM 1455 CA VAL A 91 -10.853 -16.678 -5.589 1.00 0.00 C ATOM 1456 C VAL A 91 -9.729 -15.715 -5.954 1.00 0.00 C ATOM 1457 O VAL A 91 -9.977 -14.603 -6.420 1.00 0.00 O ATOM 1458 CB VAL A 91 -11.335 -17.395 -6.865 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -12.235 -18.568 -6.512 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -12.051 -16.421 -7.787 1.00 0.00 C ATOM 0 H VAL A 91 -12.604 -15.524 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.477 -17.419 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.464 -17.783 -7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.565 -19.061 -7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.683 -19.278 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.103 -18.207 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.384 -16.946 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.914 -15.999 -7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.369 -15.619 -8.069 1.00 0.00 H new ATOM 1470 N ALA A 92 -8.492 -16.151 -5.744 1.00 0.00 N ATOM 1471 CA ALA A 92 -7.328 -15.329 -6.051 1.00 0.00 C ATOM 1472 C ALA A 92 -6.557 -15.892 -7.238 1.00 0.00 C ATOM 1473 O ALA A 92 -5.907 -16.933 -7.132 1.00 0.00 O ATOM 1474 CB ALA A 92 -6.423 -15.220 -4.834 1.00 0.00 C ATOM 0 H ALA A 92 -8.270 -17.070 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.678 -14.332 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.558 -14.603 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.973 -14.764 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.088 -16.215 -4.539 1.00 0.00 H new ATOM 1480 N ALA A 93 -6.633 -15.200 -8.371 1.00 0.00 N ATOM 1481 CA ALA A 93 -5.942 -15.632 -9.579 1.00 0.00 C ATOM 1482 C ALA A 93 -4.882 -14.619 -9.999 1.00 0.00 C ATOM 1483 O ALA A 93 -5.043 -13.416 -9.790 1.00 0.00 O ATOM 1484 CB ALA A 93 -6.937 -15.852 -10.707 1.00 0.00 C ATOM 0 H ALA A 93 -7.167 -14.337 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.441 -16.575 -9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.406 -16.174 -11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.655 -16.619 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.465 -14.921 -10.913 1.00 0.00 H new ATOM 1490 N ARG A 94 -3.800 -15.112 -10.591 1.00 0.00 N ATOM 1491 CA ARG A 94 -2.714 -14.248 -11.040 1.00 0.00 C ATOM 1492 C ARG A 94 -2.982 -13.725 -12.448 1.00 0.00 C ATOM 1493 O ARG A 94 -3.949 -14.124 -13.095 1.00 0.00 O ATOM 1494 CB ARG A 94 -1.385 -15.007 -11.008 1.00 0.00 C ATOM 1495 CG ARG A 94 -0.239 -14.200 -10.415 1.00 0.00 C ATOM 1496 CD ARG A 94 1.110 -14.799 -10.782 1.00 0.00 C ATOM 1497 NE ARG A 94 2.146 -14.446 -9.814 1.00 0.00 N ATOM 1498 CZ ARG A 94 3.303 -15.094 -9.697 1.00 0.00 C ATOM 1499 NH1 ARG A 94 3.575 -16.127 -10.485 1.00 0.00 N ATOM 1500 NH2 ARG A 94 4.191 -14.708 -8.791 1.00 0.00 N ATOM 0 H ARG A 94 -3.651 -16.105 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.655 -13.397 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.512 -15.922 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.122 -15.306 -12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.292 -13.172 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.340 -14.165 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.022 -15.884 -10.839 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.404 -14.450 -11.772 1.00 0.00 H new ATOM 0 HE ARG A 94 1.973 -13.657 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.896 -16.428 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.463 -16.620 -10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.988 -13.914 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.077 -15.205 -8.702 1.00 0.00 H new ATOM 1514 N SER A 95 -2.118 -12.830 -12.914 1.00 0.00 N ATOM 1515 CA SER A 95 -2.261 -12.250 -14.245 1.00 0.00 C ATOM 1516 C SER A 95 -0.925 -11.711 -14.751 1.00 0.00 C ATOM 1517 O SER A 95 -0.086 -11.273 -13.964 1.00 0.00 O ATOM 1518 CB SER A 95 -3.304 -11.131 -14.228 1.00 0.00 C ATOM 1519 OG SER A 95 -4.116 -11.170 -15.389 1.00 0.00 O ATOM 0 H SER A 95 -1.311 -12.490 -12.390 1.00 0.00 H new ATOM 0 HA SER A 95 -2.594 -13.036 -14.923 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.929 -11.226 -13.340 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.804 -10.165 -14.163 1.00 0.00 H new ATOM 0 HG SER A 95 -4.775 -10.446 -15.352 1.00 0.00 H new ATOM 1525 N PRO A 96 -0.710 -11.735 -16.078 1.00 0.00 N ATOM 1526 CA PRO A 96 0.532 -11.245 -16.686 1.00 0.00 C ATOM 1527 C PRO A 96 0.668 -9.730 -16.582 1.00 0.00 C ATOM 1528 O PRO A 96 -0.243 -9.045 -16.117 1.00 0.00 O ATOM 1529 CB PRO A 96 0.405 -11.671 -18.149 1.00 0.00 C ATOM 1530 CG PRO A 96 -1.061 -11.779 -18.389 1.00 0.00 C ATOM 1531 CD PRO A 96 -1.659 -12.240 -17.089 1.00 0.00 C ATOM 0 HA PRO A 96 1.415 -11.645 -16.188 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.862 -10.939 -18.815 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.906 -12.622 -18.329 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.479 -10.819 -18.692 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.274 -12.487 -19.190 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.659 -11.833 -16.940 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.748 -13.326 -17.050 1.00 0.00 H new ATOM 1539 N GLU A 97 1.812 -9.213 -17.018 1.00 0.00 N ATOM 1540 CA GLU A 97 2.068 -7.778 -16.975 1.00 0.00 C ATOM 1541 C GLU A 97 2.982 -7.353 -18.121 1.00 0.00 C ATOM 1542 O GLU A 97 3.460 -8.187 -18.888 1.00 0.00 O ATOM 1543 CB GLU A 97 2.695 -7.391 -15.632 1.00 0.00 C ATOM 1544 CG GLU A 97 2.022 -6.202 -14.968 1.00 0.00 C ATOM 1545 CD GLU A 97 2.805 -4.915 -15.141 1.00 0.00 C ATOM 1546 OE1 GLU A 97 3.988 -4.883 -14.743 1.00 0.00 O ATOM 1547 OE2 GLU A 97 2.235 -3.940 -15.674 1.00 0.00 O ATOM 0 H GLU A 97 2.576 -9.766 -17.405 1.00 0.00 H new ATOM 0 HA GLU A 97 1.115 -7.260 -17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.649 -8.247 -14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.750 -7.162 -15.785 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.024 -6.074 -15.387 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.898 -6.407 -13.905 1.00 0.00 H new ATOM 1554 N LYS A 98 3.220 -6.048 -18.228 1.00 0.00 N ATOM 1555 CA LYS A 98 4.077 -5.512 -19.279 1.00 0.00 C ATOM 1556 C LYS A 98 5.335 -4.882 -18.686 1.00 0.00 C ATOM 1557 O LYS A 98 5.315 -4.373 -17.566 1.00 0.00 O ATOM 1558 CB LYS A 98 3.312 -4.478 -20.111 1.00 0.00 C ATOM 1559 CG LYS A 98 2.934 -4.973 -21.497 1.00 0.00 C ATOM 1560 CD LYS A 98 3.773 -4.308 -22.577 1.00 0.00 C ATOM 1561 CE LYS A 98 2.953 -4.027 -23.827 1.00 0.00 C ATOM 1562 NZ LYS A 98 2.409 -5.277 -24.424 1.00 0.00 N ATOM 0 H LYS A 98 2.832 -5.344 -17.600 1.00 0.00 H new ATOM 0 HA LYS A 98 4.378 -6.336 -19.926 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.406 -4.192 -19.577 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.921 -3.580 -20.209 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.066 -6.054 -21.547 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.878 -4.772 -21.680 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.187 -3.375 -22.195 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.616 -4.950 -22.831 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.131 -3.355 -23.579 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.574 -3.514 -24.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.973 -5.061 -25.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.180 -5.962 -24.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.693 -5.683 -23.788 1.00 0.00 H new ATOM 1576 N ALA A 99 6.424 -4.919 -19.446 1.00 0.00 N ATOM 1577 CA ALA A 99 7.689 -4.352 -18.996 1.00 0.00 C ATOM 1578 C ALA A 99 8.610 -4.062 -20.176 1.00 0.00 C ATOM 1579 O ALA A 99 8.970 -4.964 -20.933 1.00 0.00 O ATOM 1580 CB ALA A 99 8.368 -5.294 -18.012 1.00 0.00 C ATOM 0 H ALA A 99 6.456 -5.336 -20.376 1.00 0.00 H new ATOM 0 HA ALA A 99 7.479 -3.408 -18.493 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.312 -4.859 -17.684 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.720 -5.448 -17.149 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.559 -6.251 -18.497 1.00 0.00 H new ATOM 1586 N SER A 100 8.988 -2.796 -20.327 1.00 0.00 N ATOM 1587 CA SER A 100 9.868 -2.387 -21.415 1.00 0.00 C ATOM 1588 C SER A 100 11.331 -2.610 -21.044 1.00 0.00 C ATOM 1589 O SER A 100 11.797 -2.143 -20.004 1.00 0.00 O ATOM 1590 CB SER A 100 9.635 -0.915 -21.759 1.00 0.00 C ATOM 1591 OG SER A 100 8.433 -0.746 -22.490 1.00 0.00 O ATOM 0 H SER A 100 8.699 -2.037 -19.710 1.00 0.00 H new ATOM 0 HA SER A 100 9.636 -2.998 -22.287 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.593 -0.326 -20.843 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.475 -0.537 -22.342 1.00 0.00 H new ATOM 0 HG SER A 100 8.306 0.204 -22.696 1.00 0.00 H new ATOM 1597 N ASN A 101 12.050 -3.326 -21.902 1.00 0.00 N ATOM 1598 CA ASN A 101 13.461 -3.611 -21.665 1.00 0.00 C ATOM 1599 C ASN A 101 14.279 -3.407 -22.937 1.00 0.00 C ATOM 1600 O ASN A 101 15.329 -2.766 -22.915 1.00 0.00 O ATOM 1601 CB ASN A 101 13.635 -5.044 -21.160 1.00 0.00 C ATOM 1602 CG ASN A 101 13.570 -5.135 -19.647 1.00 0.00 C ATOM 1603 OD1 ASN A 101 12.487 -5.190 -19.063 1.00 0.00 O ATOM 1604 ND2 ASN A 101 14.732 -5.151 -19.005 1.00 0.00 N ATOM 0 H ASN A 101 11.680 -3.719 -22.767 1.00 0.00 H new ATOM 0 HA ASN A 101 13.823 -2.918 -20.906 1.00 0.00 H new ATOM 0 HB2 ASN A 101 12.860 -5.676 -21.593 1.00 0.00 H new ATOM 0 HB3 ASN A 101 14.593 -5.434 -21.504 1.00 0.00 H new ATOM 0 HD21 ASN A 101 14.751 -5.211 -17.987 1.00 0.00 H new ATOM 0 HD22 ASN A 101 15.605 -5.103 -19.530 1.00 0.00 H new ATOM 1611 N MET A 102 13.788 -3.957 -24.043 1.00 0.00 N ATOM 1612 CA MET A 102 14.472 -3.834 -25.325 1.00 0.00 C ATOM 1613 C MET A 102 13.470 -3.780 -26.473 1.00 0.00 C ATOM 1614 O MET A 102 12.879 -4.794 -26.843 1.00 0.00 O ATOM 1615 CB MET A 102 15.435 -5.006 -25.526 1.00 0.00 C ATOM 1616 CG MET A 102 16.842 -4.732 -25.017 1.00 0.00 C ATOM 1617 SD MET A 102 17.657 -6.216 -24.398 1.00 0.00 S ATOM 1618 CE MET A 102 19.202 -5.530 -23.804 1.00 0.00 C ATOM 0 H MET A 102 12.920 -4.492 -24.077 1.00 0.00 H new ATOM 0 HA MET A 102 15.039 -2.903 -25.319 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.038 -5.884 -25.016 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.482 -5.249 -26.588 1.00 0.00 H new ATOM 0 HG2 MET A 102 17.439 -4.303 -25.822 1.00 0.00 H new ATOM 0 HG3 MET A 102 16.798 -3.988 -24.222 1.00 0.00 H new ATOM 0 HE1 MET A 102 19.819 -6.327 -23.390 1.00 0.00 H new ATOM 0 HE2 MET A 102 19.731 -5.055 -24.630 1.00 0.00 H new ATOM 0 HE3 MET A 102 18.998 -4.790 -23.030 1.00 0.00 H new ATOM 1628 N GLU A 103 13.282 -2.589 -27.033 1.00 0.00 N ATOM 1629 CA GLU A 103 12.352 -2.402 -28.139 1.00 0.00 C ATOM 1630 C GLU A 103 13.009 -1.635 -29.281 1.00 0.00 C ATOM 1631 O GLU A 103 13.012 -0.404 -29.293 1.00 0.00 O ATOM 1632 CB GLU A 103 11.102 -1.659 -27.662 1.00 0.00 C ATOM 1633 CG GLU A 103 9.989 -1.614 -28.697 1.00 0.00 C ATOM 1634 CD GLU A 103 8.619 -1.842 -28.087 1.00 0.00 C ATOM 1635 OE1 GLU A 103 8.088 -0.906 -27.454 1.00 0.00 O ATOM 1636 OE2 GLU A 103 8.077 -2.955 -28.245 1.00 0.00 O ATOM 0 H GLU A 103 13.762 -1.739 -26.738 1.00 0.00 H new ATOM 0 HA GLU A 103 12.063 -3.386 -28.507 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.727 -2.139 -26.758 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.377 -0.639 -27.391 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.003 -0.647 -29.199 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.175 -2.371 -29.459 1.00 0.00 H new ATOM 1643 N ASN A 104 13.566 -2.369 -30.238 1.00 0.00 N ATOM 1644 CA ASN A 104 14.227 -1.757 -31.386 1.00 0.00 C ATOM 1645 C ASN A 104 13.444 -2.017 -32.667 1.00 0.00 C ATOM 1646 O ASN A 104 12.811 -3.062 -32.818 1.00 0.00 O ATOM 1647 CB ASN A 104 15.652 -2.295 -31.526 1.00 0.00 C ATOM 1648 CG ASN A 104 16.555 -1.348 -32.293 1.00 0.00 C ATOM 1649 OD1 ASN A 104 17.192 -1.737 -33.272 1.00 0.00 O ATOM 1650 ND2 ASN A 104 16.614 -0.098 -31.848 1.00 0.00 N ATOM 0 H ASN A 104 13.573 -3.389 -30.242 1.00 0.00 H new ATOM 0 HA ASN A 104 14.267 -0.681 -31.220 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.071 -2.469 -30.535 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.625 -3.259 -32.034 1.00 0.00 H new ATOM 0 HD21 ASN A 104 17.205 0.585 -32.322 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.068 0.179 -31.032 1.00 0.00 H new ATOM 1657 N ASN A 105 13.488 -1.058 -33.586 1.00 0.00 N ATOM 1658 CA ASN A 105 12.781 -1.183 -34.856 1.00 0.00 C ATOM 1659 C ASN A 105 13.710 -0.883 -36.028 1.00 0.00 C ATOM 1660 O ASN A 105 13.726 -1.610 -37.022 1.00 0.00 O ATOM 1661 CB ASN A 105 11.577 -0.240 -34.888 1.00 0.00 C ATOM 1662 CG ASN A 105 10.377 -0.857 -35.579 1.00 0.00 C ATOM 1663 OD1 ASN A 105 9.554 -1.518 -34.946 1.00 0.00 O ATOM 1664 ND2 ASN A 105 10.272 -0.646 -36.885 1.00 0.00 N ATOM 0 H ASN A 105 14.005 -0.186 -33.475 1.00 0.00 H new ATOM 0 HA ASN A 105 12.430 -2.211 -34.949 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.305 0.032 -33.868 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.854 0.681 -35.401 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.486 -1.038 -37.403 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.977 -0.092 -37.370 1.00 0.00 H new ATOM 1671 N GLU A 106 14.482 0.193 -35.905 1.00 0.00 N ATOM 1672 CA GLU A 106 15.414 0.589 -36.955 1.00 0.00 C ATOM 1673 C GLU A 106 14.674 0.881 -38.256 1.00 0.00 C ATOM 1674 O GLU A 106 15.350 1.083 -39.287 1.00 0.00 O ATOM 1675 CB GLU A 106 16.456 -0.508 -37.182 1.00 0.00 C ATOM 1676 CG GLU A 106 17.533 -0.554 -36.111 1.00 0.00 C ATOM 1677 CD GLU A 106 18.363 -1.821 -36.174 1.00 0.00 C ATOM 1678 OE1 GLU A 106 19.263 -1.897 -37.035 1.00 0.00 O ATOM 1679 OE2 GLU A 106 18.113 -2.736 -35.362 1.00 0.00 O ATOM 1680 OXT GLU A 106 13.425 0.905 -38.234 1.00 0.00 O ATOM 0 H GLU A 106 14.480 0.805 -35.089 1.00 0.00 H new ATOM 0 HA GLU A 106 15.920 1.499 -36.633 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.952 -1.474 -37.221 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.927 -0.355 -38.153 1.00 0.00 H new ATOM 0 HG2 GLU A 106 18.187 0.311 -36.221 1.00 0.00 H new ATOM 0 HG3 GLU A 106 17.067 -0.478 -35.129 1.00 0.00 H new TER 1687 GLU A 106