USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 765 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 47 LYS NZ :NH3+ -142:sc=-0.00255 (180deg=0) USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= -0.0106 F(o=-1,f=-0.013) USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.0693 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.16! X(o=-2.2!,f=-2.1) USER MOD Single : A 9 THR OG1 : rot -38:sc= 1.16 USER MOD Single : A 11 ASN : amide:sc= -2.08! C(o=-2.1!,f=-8.1!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.0614 (180deg=-0.491) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.93) USER MOD Single : A 25 GLN :FLIP amide:sc= -22.2! C(o=-25!,f=-22!) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -0.0376 (180deg=-0.621) USER MOD Single : A 31 THR OG1 : rot 40:sc= -0.536 USER MOD Single : A 32 LYS NZ :NH3+ -147:sc= -0.192 (180deg=-1.13) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.57! C(o=-3.3!,f=-2.6!) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0.714 (180deg=0.497) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.137 (180deg=-0.711) USER MOD Single : A 52 SER OG : rot 180:sc= -1.24 USER MOD Single : A 55 SER OG : rot 180:sc= 0.106 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0764) USER MOD Single : A 63 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A 71 GLN : amide:sc= -8.48! C(o=-8.5!,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= -3.57! (180deg=-3.74!) USER MOD Single : A 80 ASN : amide:sc= -0.155 K(o=-0.15,f=-0.89) USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= -0.171 (180deg=-1.22!) USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= -0.0323 (180deg=-0.551) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.11 F(o=-5.8!,f=-3.1) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.179 F(o=-1,f=-0.18) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.133) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.509 -40.130 -2.932 1.00 0.00 N ATOM 2 CA ALA A 1 7.036 -39.979 -3.093 1.00 0.00 C ATOM 3 C ALA A 1 6.672 -38.494 -3.019 1.00 0.00 C ATOM 4 O ALA A 1 7.378 -37.701 -2.427 1.00 0.00 O ATOM 5 CB ALA A 1 6.320 -40.744 -1.978 1.00 0.00 C ATOM 0 H1 ALA A 1 8.707 -40.849 -2.207 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.929 -40.426 -3.836 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.921 -39.221 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 1 6.727 -40.381 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.242 -40.634 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.585 -41.800 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.622 -40.344 -1.010 1.00 0.00 H new ATOM 13 N ASP A 2 5.581 -38.106 -3.622 1.00 0.00 N ATOM 14 CA ASP A 2 5.184 -36.672 -3.591 1.00 0.00 C ATOM 15 C ASP A 2 4.649 -36.308 -2.203 1.00 0.00 C ATOM 16 O ASP A 2 3.518 -36.604 -1.870 1.00 0.00 O ATOM 17 CB ASP A 2 4.095 -36.423 -4.638 1.00 0.00 C ATOM 18 CG ASP A 2 4.495 -37.086 -5.956 1.00 0.00 C ATOM 19 OD1 ASP A 2 5.663 -37.409 -6.104 1.00 0.00 O ATOM 20 OD2 ASP A 2 3.628 -37.262 -6.796 1.00 0.00 O ATOM 0 H ASP A 2 4.949 -38.721 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 2 6.055 -36.054 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.143 -36.824 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.955 -35.352 -4.785 1.00 0.00 H new ATOM 25 N LEU A 3 5.450 -35.666 -1.391 1.00 0.00 N ATOM 26 CA LEU A 3 4.982 -35.280 -0.028 1.00 0.00 C ATOM 27 C LEU A 3 4.285 -33.920 -0.094 1.00 0.00 C ATOM 28 O LEU A 3 4.214 -33.200 0.882 1.00 0.00 O ATOM 29 CB LEU A 3 6.183 -35.183 0.922 1.00 0.00 C ATOM 30 CG LEU A 3 7.100 -36.397 0.741 1.00 0.00 C ATOM 31 CD1 LEU A 3 8.135 -36.417 1.871 1.00 0.00 C ATOM 32 CD2 LEU A 3 6.272 -37.688 0.787 1.00 0.00 C ATOM 0 H LEU A 3 6.407 -35.393 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 3 4.286 -36.034 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.738 -34.266 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.836 -35.131 1.954 1.00 0.00 H new ATOM 0 HG LEU A 3 7.604 -36.329 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.791 -37.279 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.727 -35.502 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.624 -36.484 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.930 -38.547 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.765 -37.761 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.532 -37.674 -0.013 1.00 0.00 H new ATOM 44 N GLU A 4 3.771 -33.559 -1.239 1.00 0.00 N ATOM 45 CA GLU A 4 3.086 -32.242 -1.362 1.00 0.00 C ATOM 46 C GLU A 4 1.661 -32.350 -0.817 1.00 0.00 C ATOM 47 O GLU A 4 0.864 -31.444 -0.957 1.00 0.00 O ATOM 48 CB GLU A 4 3.041 -31.827 -2.835 1.00 0.00 C ATOM 49 CG GLU A 4 4.457 -31.839 -3.416 1.00 0.00 C ATOM 50 CD GLU A 4 5.327 -30.828 -2.668 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.780 -29.852 -2.181 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.524 -31.047 -2.596 1.00 0.00 O ATOM 0 H GLU A 4 3.796 -34.118 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 4 3.634 -31.494 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.401 -32.509 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.607 -30.832 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.887 -32.837 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.427 -31.593 -4.478 1.00 0.00 H new ATOM 59 N ASP A 5 1.334 -33.447 -0.187 1.00 0.00 N ATOM 60 CA ASP A 5 -0.039 -33.600 0.376 1.00 0.00 C ATOM 61 C ASP A 5 -0.104 -32.895 1.735 1.00 0.00 C ATOM 62 O ASP A 5 -0.914 -33.221 2.579 1.00 0.00 O ATOM 63 CB ASP A 5 -0.358 -35.090 0.550 1.00 0.00 C ATOM 64 CG ASP A 5 0.699 -35.742 1.444 1.00 0.00 C ATOM 65 OD1 ASP A 5 1.744 -36.101 0.925 1.00 0.00 O ATOM 66 OD2 ASP A 5 0.446 -35.877 2.630 1.00 0.00 O ATOM 0 H ASP A 5 1.956 -34.241 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.768 -33.155 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.347 -35.211 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.381 -35.583 -0.422 1.00 0.00 H new ATOM 71 N ASN A 6 0.759 -31.932 1.956 1.00 0.00 N ATOM 72 CA ASN A 6 0.772 -31.202 3.263 1.00 0.00 C ATOM 73 C ASN A 6 -0.047 -29.907 3.170 1.00 0.00 C ATOM 74 O ASN A 6 0.014 -29.192 2.189 1.00 0.00 O ATOM 75 CB ASN A 6 2.220 -30.838 3.625 1.00 0.00 C ATOM 76 CG ASN A 6 3.155 -31.999 3.282 1.00 0.00 C ATOM 77 OD1 ASN A 6 2.789 -33.150 3.408 1.00 0.00 O ATOM 78 ND2 ASN A 6 4.361 -31.738 2.852 1.00 0.00 N ATOM 0 H ASN A 6 1.459 -31.619 1.283 1.00 0.00 H new ATOM 0 HA ASN A 6 0.335 -31.849 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.525 -29.943 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.290 -30.606 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.997 -32.502 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.667 -30.771 2.747 1.00 0.00 H new ATOM 85 N ASP A 7 -0.787 -29.579 4.203 1.00 0.00 N ATOM 86 CA ASP A 7 -1.577 -28.311 4.199 1.00 0.00 C ATOM 87 C ASP A 7 -0.755 -27.236 4.920 1.00 0.00 C ATOM 88 O ASP A 7 -1.024 -26.900 6.055 1.00 0.00 O ATOM 89 CB ASP A 7 -2.900 -28.515 4.947 1.00 0.00 C ATOM 90 CG ASP A 7 -3.792 -29.483 4.166 1.00 0.00 C ATOM 91 OD1 ASP A 7 -4.196 -29.132 3.069 1.00 0.00 O ATOM 92 OD2 ASP A 7 -4.058 -30.556 4.679 1.00 0.00 O ATOM 0 H ASP A 7 -0.877 -30.139 5.051 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.793 -28.011 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.707 -28.908 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.408 -27.559 5.074 1.00 0.00 H new ATOM 97 N GLU A 8 0.257 -26.714 4.274 1.00 0.00 N ATOM 98 CA GLU A 8 1.121 -25.676 4.915 1.00 0.00 C ATOM 99 C GLU A 8 1.690 -26.209 6.234 1.00 0.00 C ATOM 100 O GLU A 8 2.424 -25.524 6.916 1.00 0.00 O ATOM 101 CB GLU A 8 0.306 -24.412 5.192 1.00 0.00 C ATOM 102 CG GLU A 8 -0.164 -23.794 3.871 1.00 0.00 C ATOM 103 CD GLU A 8 -1.307 -22.811 4.144 1.00 0.00 C ATOM 104 OE1 GLU A 8 -2.245 -23.196 4.825 1.00 0.00 O ATOM 105 OE2 GLU A 8 -1.227 -21.693 3.666 1.00 0.00 O ATOM 0 H GLU A 8 0.524 -26.965 3.322 1.00 0.00 H new ATOM 0 HA GLU A 8 1.940 -25.437 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.554 -24.653 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.910 -23.693 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.664 -23.279 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.498 -24.577 3.190 1.00 0.00 H new ATOM 112 N THR A 9 1.357 -27.422 6.596 1.00 0.00 N ATOM 113 CA THR A 9 1.869 -28.022 7.865 1.00 0.00 C ATOM 114 C THR A 9 1.840 -26.995 8.996 1.00 0.00 C ATOM 115 O THR A 9 2.638 -27.040 9.912 1.00 0.00 O ATOM 116 CB THR A 9 3.290 -28.578 7.675 1.00 0.00 C ATOM 117 OG1 THR A 9 3.718 -29.171 8.891 1.00 0.00 O ATOM 118 CG2 THR A 9 4.278 -27.474 7.280 1.00 0.00 C ATOM 0 H THR A 9 0.742 -28.031 6.057 1.00 0.00 H new ATOM 0 HA THR A 9 1.215 -28.851 8.136 1.00 0.00 H new ATOM 0 HB THR A 9 3.266 -29.315 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.398 -28.635 9.647 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.272 -27.903 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.958 -27.018 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.307 -26.715 8.062 1.00 0.00 H new ATOM 126 N GLY A 10 0.916 -26.081 8.946 1.00 0.00 N ATOM 127 CA GLY A 10 0.809 -25.053 10.021 1.00 0.00 C ATOM 128 C GLY A 10 -0.648 -24.618 10.136 1.00 0.00 C ATOM 129 O GLY A 10 -0.947 -23.463 10.367 1.00 0.00 O ATOM 0 H GLY A 10 0.223 -25.999 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.158 -25.460 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.442 -24.197 9.790 1.00 0.00 H new ATOM 133 N ASN A 11 -1.561 -25.539 9.974 1.00 0.00 N ATOM 134 CA ASN A 11 -3.004 -25.185 10.072 1.00 0.00 C ATOM 135 C ASN A 11 -3.428 -25.244 11.539 1.00 0.00 C ATOM 136 O ASN A 11 -4.524 -24.861 11.897 1.00 0.00 O ATOM 137 CB ASN A 11 -3.833 -26.173 9.245 1.00 0.00 C ATOM 138 CG ASN A 11 -3.775 -27.565 9.877 1.00 0.00 C ATOM 139 OD1 ASN A 11 -2.819 -27.903 10.546 1.00 0.00 O ATOM 140 ND2 ASN A 11 -4.765 -28.393 9.685 1.00 0.00 N ATOM 0 H ASN A 11 -1.368 -26.521 9.778 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.168 -24.179 9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.867 -25.834 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.454 -26.213 8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.737 -29.326 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.567 -28.108 9.123 1.00 0.00 H new ATOM 147 N ASP A 12 -2.552 -25.706 12.393 1.00 0.00 N ATOM 148 CA ASP A 12 -2.873 -25.783 13.847 1.00 0.00 C ATOM 149 C ASP A 12 -2.283 -24.557 14.540 1.00 0.00 C ATOM 150 O ASP A 12 -2.646 -24.218 15.649 1.00 0.00 O ATOM 151 CB ASP A 12 -2.255 -27.049 14.441 1.00 0.00 C ATOM 152 CG ASP A 12 -3.073 -28.268 14.004 1.00 0.00 C ATOM 153 OD1 ASP A 12 -3.222 -28.455 12.808 1.00 0.00 O ATOM 154 OD2 ASP A 12 -3.534 -28.990 14.871 1.00 0.00 O ATOM 0 H ASP A 12 -1.620 -26.036 12.142 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.953 -25.811 13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.222 -27.153 14.109 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.235 -26.981 15.529 1.00 0.00 H new ATOM 159 N ASN A 13 -1.381 -23.883 13.879 1.00 0.00 N ATOM 160 CA ASN A 13 -0.764 -22.669 14.474 1.00 0.00 C ATOM 161 C ASN A 13 -1.663 -21.474 14.187 1.00 0.00 C ATOM 162 O ASN A 13 -2.145 -20.812 15.084 1.00 0.00 O ATOM 163 CB ASN A 13 0.603 -22.421 13.834 1.00 0.00 C ATOM 164 CG ASN A 13 1.578 -23.518 14.254 1.00 0.00 C ATOM 165 OD1 ASN A 13 1.453 -24.654 13.839 1.00 0.00 O ATOM 166 ND2 ASN A 13 2.557 -23.221 15.063 1.00 0.00 N ATOM 0 H ASN A 13 -1.045 -24.125 12.947 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.645 -22.808 15.549 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.508 -22.402 12.748 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.985 -21.446 14.137 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.219 -23.942 15.349 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.660 -22.267 15.410 1.00 0.00 H new ATOM 173 N GLY A 14 -1.888 -21.191 12.937 1.00 0.00 N ATOM 174 CA GLY A 14 -2.748 -20.035 12.582 1.00 0.00 C ATOM 175 C GLY A 14 -2.152 -18.777 13.207 1.00 0.00 C ATOM 176 O GLY A 14 -2.804 -17.758 13.319 1.00 0.00 O ATOM 0 H GLY A 14 -1.512 -21.712 12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.809 -19.927 11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.764 -20.193 12.945 1.00 0.00 H new ATOM 180 N LYS A 15 -0.915 -18.849 13.627 1.00 0.00 N ATOM 181 CA LYS A 15 -0.264 -17.669 14.259 1.00 0.00 C ATOM 182 C LYS A 15 1.252 -17.734 14.029 1.00 0.00 C ATOM 183 O LYS A 15 2.035 -17.628 14.953 1.00 0.00 O ATOM 184 CB LYS A 15 -0.559 -17.693 15.762 1.00 0.00 C ATOM 185 CG LYS A 15 0.113 -18.925 16.419 1.00 0.00 C ATOM 186 CD LYS A 15 -0.783 -19.496 17.527 1.00 0.00 C ATOM 187 CE LYS A 15 -0.935 -18.469 18.652 1.00 0.00 C ATOM 188 NZ LYS A 15 0.389 -18.238 19.296 1.00 0.00 N ATOM 0 H LYS A 15 -0.327 -19.680 13.558 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.651 -16.750 13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.192 -16.778 16.227 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.636 -17.725 15.928 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.302 -19.689 15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.080 -18.641 16.834 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.762 -19.751 17.121 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.351 -20.417 17.919 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.326 -17.533 18.254 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.653 -18.826 19.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.248 -17.842 20.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.902 -19.140 19.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.942 -17.570 18.722 1.00 0.00 H new ATOM 202 N GLY A 16 1.672 -17.905 12.799 1.00 0.00 N ATOM 203 CA GLY A 16 3.138 -17.972 12.504 1.00 0.00 C ATOM 204 C GLY A 16 3.646 -16.576 12.131 1.00 0.00 C ATOM 205 O GLY A 16 4.679 -16.137 12.598 1.00 0.00 O ATOM 0 H GLY A 16 1.063 -18.001 11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.678 -18.347 13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.324 -18.669 11.687 1.00 0.00 H new ATOM 209 N GLY A 17 2.929 -15.874 11.294 1.00 0.00 N ATOM 210 CA GLY A 17 3.369 -14.507 10.894 1.00 0.00 C ATOM 211 C GLY A 17 4.439 -14.611 9.809 1.00 0.00 C ATOM 212 O GLY A 17 4.833 -13.629 9.213 1.00 0.00 O ATOM 0 H GLY A 17 2.057 -16.189 10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.518 -13.933 10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.764 -13.973 11.759 1.00 0.00 H new ATOM 216 N GLU A 18 4.906 -15.799 9.543 1.00 0.00 N ATOM 217 CA GLU A 18 5.947 -15.985 8.491 1.00 0.00 C ATOM 218 C GLU A 18 5.755 -17.364 7.863 1.00 0.00 C ATOM 219 O GLU A 18 6.648 -18.188 7.852 1.00 0.00 O ATOM 220 CB GLU A 18 7.340 -15.887 9.124 1.00 0.00 C ATOM 221 CG GLU A 18 8.393 -15.668 8.032 1.00 0.00 C ATOM 222 CD GLU A 18 9.781 -16.020 8.573 1.00 0.00 C ATOM 223 OE1 GLU A 18 10.390 -15.164 9.193 1.00 0.00 O ATOM 224 OE2 GLU A 18 10.212 -17.140 8.355 1.00 0.00 O ATOM 0 H GLU A 18 4.610 -16.655 10.012 1.00 0.00 H new ATOM 0 HA GLU A 18 5.855 -15.213 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.368 -15.064 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.562 -16.799 9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.164 -16.286 7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.375 -14.630 7.699 1.00 0.00 H new ATOM 231 N LYS A 19 4.580 -17.624 7.359 1.00 0.00 N ATOM 232 CA LYS A 19 4.302 -18.952 6.749 1.00 0.00 C ATOM 233 C LYS A 19 4.929 -19.041 5.361 1.00 0.00 C ATOM 234 O LYS A 19 5.100 -20.113 4.816 1.00 0.00 O ATOM 235 CB LYS A 19 2.792 -19.118 6.602 1.00 0.00 C ATOM 236 CG LYS A 19 2.244 -18.035 5.662 1.00 0.00 C ATOM 237 CD LYS A 19 0.711 -18.030 5.723 1.00 0.00 C ATOM 238 CE LYS A 19 0.167 -16.774 5.032 1.00 0.00 C ATOM 239 NZ LYS A 19 -1.280 -16.970 4.723 1.00 0.00 N ATOM 0 H LYS A 19 3.798 -16.970 7.344 1.00 0.00 H new ATOM 0 HA LYS A 19 4.721 -19.729 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.562 -20.107 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.311 -19.044 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.633 -17.058 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.577 -18.222 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.316 -18.923 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.379 -18.058 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.299 -15.904 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.724 -16.579 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.653 -16.120 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.393 -17.790 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.804 -17.136 5.606 1.00 0.00 H new ATOM 253 N ALA A 20 5.251 -17.929 4.772 1.00 0.00 N ATOM 254 CA ALA A 20 5.843 -17.971 3.405 1.00 0.00 C ATOM 255 C ALA A 20 4.940 -18.842 2.517 1.00 0.00 C ATOM 256 O ALA A 20 5.357 -19.866 2.013 1.00 0.00 O ATOM 257 CB ALA A 20 7.251 -18.576 3.473 1.00 0.00 C ATOM 0 H ALA A 20 5.133 -16.998 5.171 1.00 0.00 H new ATOM 0 HA ALA A 20 5.915 -16.965 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.683 -18.606 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.879 -17.964 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.193 -19.588 3.874 1.00 0.00 H new ATOM 263 N ASP A 21 3.702 -18.452 2.329 1.00 0.00 N ATOM 264 CA ASP A 21 2.793 -19.277 1.478 1.00 0.00 C ATOM 265 C ASP A 21 3.265 -19.171 0.038 1.00 0.00 C ATOM 266 O ASP A 21 2.733 -19.798 -0.855 1.00 0.00 O ATOM 267 CB ASP A 21 1.347 -18.775 1.591 1.00 0.00 C ATOM 268 CG ASP A 21 0.391 -19.847 1.065 1.00 0.00 C ATOM 269 OD1 ASP A 21 0.340 -20.910 1.658 1.00 0.00 O ATOM 270 OD2 ASP A 21 -0.273 -19.585 0.075 1.00 0.00 O ATOM 0 H ASP A 21 3.287 -17.608 2.724 1.00 0.00 H new ATOM 0 HA ASP A 21 2.818 -20.315 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.112 -18.541 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.225 -17.853 1.022 1.00 0.00 H new ATOM 275 N ASN A 22 4.293 -18.398 -0.167 1.00 0.00 N ATOM 276 CA ASN A 22 4.888 -18.238 -1.532 1.00 0.00 C ATOM 277 C ASN A 22 4.079 -17.257 -2.392 1.00 0.00 C ATOM 278 O ASN A 22 4.427 -16.983 -3.523 1.00 0.00 O ATOM 279 CB ASN A 22 4.959 -19.608 -2.233 1.00 0.00 C ATOM 280 CG ASN A 22 6.096 -19.624 -3.257 1.00 0.00 C ATOM 281 OD1 ASN A 22 7.020 -20.406 -3.145 1.00 0.00 O ATOM 282 ND2 ASN A 22 6.064 -18.793 -4.260 1.00 0.00 N ATOM 0 H ASN A 22 4.758 -17.859 0.564 1.00 0.00 H new ATOM 0 HA ASN A 22 5.892 -17.830 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.115 -20.394 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.012 -19.820 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.814 -18.799 -4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.289 -18.137 -4.354 1.00 0.00 H new ATOM 289 N ALA A 23 3.015 -16.728 -1.875 1.00 0.00 N ATOM 290 CA ALA A 23 2.205 -15.762 -2.679 1.00 0.00 C ATOM 291 C ALA A 23 1.127 -15.116 -1.806 1.00 0.00 C ATOM 292 O ALA A 23 0.820 -13.950 -1.959 1.00 0.00 O ATOM 293 CB ALA A 23 1.542 -16.499 -3.849 1.00 0.00 C ATOM 0 H ALA A 23 2.665 -16.916 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 23 2.864 -14.982 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.952 -15.795 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.311 -16.943 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.892 -17.284 -3.463 1.00 0.00 H new ATOM 299 N ALA A 24 0.545 -15.850 -0.897 1.00 0.00 N ATOM 300 CA ALA A 24 -0.513 -15.252 -0.036 1.00 0.00 C ATOM 301 C ALA A 24 0.092 -14.098 0.761 1.00 0.00 C ATOM 302 O ALA A 24 -0.389 -12.983 0.731 1.00 0.00 O ATOM 303 CB ALA A 24 -1.055 -16.311 0.934 1.00 0.00 C ATOM 0 H ALA A 24 0.755 -16.831 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.329 -14.888 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.829 -15.868 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.478 -17.141 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.244 -16.678 1.563 1.00 0.00 H new ATOM 309 N GLN A 25 1.147 -14.364 1.475 1.00 0.00 N ATOM 310 CA GLN A 25 1.795 -13.297 2.281 1.00 0.00 C ATOM 311 C GLN A 25 2.245 -12.136 1.385 1.00 0.00 C ATOM 312 O GLN A 25 2.256 -10.994 1.805 1.00 0.00 O ATOM 313 CB GLN A 25 2.970 -13.880 3.102 1.00 0.00 C ATOM 314 CG GLN A 25 4.048 -14.622 2.260 1.00 0.00 C ATOM 315 CD GLN A 25 3.509 -15.162 0.938 1.00 0.00 C ATOM 316 OE1 GLN A 25 3.039 -16.367 0.903 1.00 0.00 O flip ATOM 317 NE2 GLN A 25 3.555 -14.501 -0.077 1.00 0.00 N flip ATOM 0 H GLN A 25 1.591 -15.280 1.535 1.00 0.00 H new ATOM 0 HA GLN A 25 1.066 -12.897 2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.451 -13.069 3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.569 -14.571 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.874 -13.941 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.452 -15.448 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.925 -13.551 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.223 -14.895 -0.958 1.00 0.00 H new ATOM 326 N VAL A 26 2.597 -12.396 0.157 1.00 0.00 N ATOM 327 CA VAL A 26 3.018 -11.284 -0.741 1.00 0.00 C ATOM 328 C VAL A 26 1.778 -10.522 -1.233 1.00 0.00 C ATOM 329 O VAL A 26 1.754 -9.311 -1.232 1.00 0.00 O ATOM 330 CB VAL A 26 3.821 -11.841 -1.935 1.00 0.00 C ATOM 331 CG1 VAL A 26 3.843 -10.828 -3.086 1.00 0.00 C ATOM 332 CG2 VAL A 26 5.266 -12.123 -1.501 1.00 0.00 C ATOM 0 H VAL A 26 2.612 -13.326 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 26 3.658 -10.596 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 26 3.343 -12.761 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.414 -11.237 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.823 -10.623 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.309 -9.902 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.830 -12.516 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.729 -11.199 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.267 -12.854 -0.693 1.00 0.00 H new ATOM 342 N LYS A 27 0.756 -11.213 -1.664 1.00 0.00 N ATOM 343 CA LYS A 27 -0.456 -10.502 -2.171 1.00 0.00 C ATOM 344 C LYS A 27 -1.060 -9.662 -1.049 1.00 0.00 C ATOM 345 O LYS A 27 -1.379 -8.503 -1.235 1.00 0.00 O ATOM 346 CB LYS A 27 -1.489 -11.525 -2.657 1.00 0.00 C ATOM 347 CG LYS A 27 -1.056 -12.105 -4.013 1.00 0.00 C ATOM 348 CD LYS A 27 -1.696 -13.482 -4.220 1.00 0.00 C ATOM 349 CE LYS A 27 -3.218 -13.372 -4.098 1.00 0.00 C ATOM 350 NZ LYS A 27 -3.714 -12.285 -4.988 1.00 0.00 N ATOM 0 H LYS A 27 0.707 -12.232 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.173 -9.853 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.592 -12.326 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.466 -11.051 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.352 -11.432 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.030 -12.190 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.428 -13.873 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.313 -14.186 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.684 -14.319 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.496 -13.165 -3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.671 -12.519 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.740 -11.389 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.077 -12.187 -5.805 1.00 0.00 H new ATOM 364 N ASP A 28 -1.209 -10.222 0.115 1.00 0.00 N ATOM 365 CA ASP A 28 -1.776 -9.435 1.238 1.00 0.00 C ATOM 366 C ASP A 28 -0.906 -8.199 1.438 1.00 0.00 C ATOM 367 O ASP A 28 -1.374 -7.144 1.822 1.00 0.00 O ATOM 368 CB ASP A 28 -1.767 -10.285 2.508 1.00 0.00 C ATOM 369 CG ASP A 28 -2.407 -11.642 2.210 1.00 0.00 C ATOM 370 OD1 ASP A 28 -2.812 -11.845 1.077 1.00 0.00 O ATOM 371 OD2 ASP A 28 -2.480 -12.455 3.117 1.00 0.00 O ATOM 0 H ASP A 28 -0.964 -11.187 0.336 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.802 -9.140 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.745 -10.421 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.314 -9.778 3.303 1.00 0.00 H new ATOM 376 N ALA A 29 0.363 -8.322 1.158 1.00 0.00 N ATOM 377 CA ALA A 29 1.280 -7.168 1.303 1.00 0.00 C ATOM 378 C ALA A 29 0.900 -6.101 0.281 1.00 0.00 C ATOM 379 O ALA A 29 0.706 -4.950 0.611 1.00 0.00 O ATOM 380 CB ALA A 29 2.722 -7.644 1.087 1.00 0.00 C ATOM 0 H ALA A 29 0.803 -9.183 0.832 1.00 0.00 H new ATOM 0 HA ALA A 29 1.201 -6.739 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.403 -6.800 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.969 -8.404 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.820 -8.067 0.087 1.00 0.00 H new ATOM 386 N LEU A 30 0.791 -6.469 -0.965 1.00 0.00 N ATOM 387 CA LEU A 30 0.425 -5.461 -1.985 1.00 0.00 C ATOM 388 C LEU A 30 -0.941 -4.858 -1.643 1.00 0.00 C ATOM 389 O LEU A 30 -1.097 -3.656 -1.581 1.00 0.00 O ATOM 390 CB LEU A 30 0.370 -6.092 -3.377 1.00 0.00 C ATOM 391 CG LEU A 30 1.607 -6.963 -3.626 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.391 -7.784 -4.900 1.00 0.00 C ATOM 393 CD2 LEU A 30 2.846 -6.081 -3.803 1.00 0.00 C ATOM 0 H LEU A 30 0.939 -7.416 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 30 1.185 -4.679 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.532 -6.697 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.311 -5.310 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 30 1.758 -7.624 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.267 -8.407 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.513 -8.419 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.239 -7.112 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.718 -6.710 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.701 -5.416 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.002 -5.488 -2.902 1.00 0.00 H new ATOM 405 N THR A 31 -1.932 -5.683 -1.424 1.00 0.00 N ATOM 406 CA THR A 31 -3.286 -5.149 -1.090 1.00 0.00 C ATOM 407 C THR A 31 -3.199 -4.303 0.183 1.00 0.00 C ATOM 408 O THR A 31 -3.902 -3.325 0.338 1.00 0.00 O ATOM 409 CB THR A 31 -4.261 -6.315 -0.877 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.598 -7.358 -0.185 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.759 -6.842 -2.228 1.00 0.00 C ATOM 0 H THR A 31 -1.863 -6.700 -1.462 1.00 0.00 H new ATOM 0 HA THR A 31 -3.647 -4.529 -1.910 1.00 0.00 H new ATOM 0 HB THR A 31 -5.113 -5.964 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.017 -6.975 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.450 -7.669 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.271 -6.043 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.911 -7.190 -2.818 1.00 0.00 H new ATOM 419 N LYS A 32 -2.337 -4.659 1.090 1.00 0.00 N ATOM 420 CA LYS A 32 -2.211 -3.849 2.332 1.00 0.00 C ATOM 421 C LYS A 32 -1.787 -2.436 1.924 1.00 0.00 C ATOM 422 O LYS A 32 -2.411 -1.462 2.287 1.00 0.00 O ATOM 423 CB LYS A 32 -1.164 -4.477 3.263 1.00 0.00 C ATOM 424 CG LYS A 32 -0.914 -3.570 4.500 1.00 0.00 C ATOM 425 CD LYS A 32 0.435 -2.849 4.376 1.00 0.00 C ATOM 426 CE LYS A 32 0.605 -1.878 5.544 1.00 0.00 C ATOM 427 NZ LYS A 32 -0.524 -0.905 5.546 1.00 0.00 N ATOM 0 H LYS A 32 -1.719 -5.468 1.028 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.159 -3.816 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.503 -5.460 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.230 -4.626 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.717 -2.838 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.929 -4.172 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.248 -3.575 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.485 -2.309 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.630 -2.426 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.555 -1.350 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.189 0.014 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.888 -0.793 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.284 -1.256 6.163 1.00 0.00 H new ATOM 441 N MET A 33 -0.739 -2.325 1.150 1.00 0.00 N ATOM 442 CA MET A 33 -0.284 -0.980 0.694 1.00 0.00 C ATOM 443 C MET A 33 -1.386 -0.320 -0.141 1.00 0.00 C ATOM 444 O MET A 33 -1.551 0.884 -0.130 1.00 0.00 O ATOM 445 CB MET A 33 0.961 -1.123 -0.183 1.00 0.00 C ATOM 446 CG MET A 33 2.061 -1.851 0.585 1.00 0.00 C ATOM 447 SD MET A 33 3.640 -1.611 -0.269 1.00 0.00 S ATOM 448 CE MET A 33 4.515 -3.012 0.467 1.00 0.00 C ATOM 0 H MET A 33 -0.179 -3.109 0.814 1.00 0.00 H new ATOM 0 HA MET A 33 -0.057 -0.372 1.570 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.715 -1.674 -1.091 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.313 -0.139 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.123 -1.470 1.604 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.830 -2.914 0.656 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.530 -3.054 0.073 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.551 -2.891 1.550 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.992 -3.937 0.223 1.00 0.00 H new ATOM 458 N ARG A 34 -2.132 -1.094 -0.882 1.00 0.00 N ATOM 459 CA ARG A 34 -3.207 -0.503 -1.732 1.00 0.00 C ATOM 460 C ARG A 34 -4.175 0.302 -0.870 1.00 0.00 C ATOM 461 O ARG A 34 -4.340 1.492 -1.056 1.00 0.00 O ATOM 462 CB ARG A 34 -3.974 -1.628 -2.436 1.00 0.00 C ATOM 463 CG ARG A 34 -5.123 -1.029 -3.242 1.00 0.00 C ATOM 464 CD ARG A 34 -5.703 -2.089 -4.182 1.00 0.00 C ATOM 465 NE ARG A 34 -6.842 -1.505 -4.946 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.448 -2.215 -5.863 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.027 -3.419 -6.141 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.471 -1.718 -6.510 1.00 0.00 N ATOM 0 H ARG A 34 -2.044 -2.109 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.753 0.157 -2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.305 -2.184 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.360 -2.335 -1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.899 -0.662 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.769 -0.174 -3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.933 -2.442 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.040 -2.953 -3.609 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.149 -0.552 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.225 -3.807 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.500 -3.972 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.798 -0.775 -6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.941 -2.274 -7.224 1.00 0.00 H new ATOM 482 N ALA A 35 -4.828 -0.326 0.059 1.00 0.00 N ATOM 483 CA ALA A 35 -5.791 0.425 0.909 1.00 0.00 C ATOM 484 C ALA A 35 -5.055 1.507 1.708 1.00 0.00 C ATOM 485 O ALA A 35 -5.633 2.502 2.094 1.00 0.00 O ATOM 486 CB ALA A 35 -6.490 -0.536 1.868 1.00 0.00 C ATOM 0 H ALA A 35 -4.740 -1.320 0.268 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.534 0.900 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.194 0.018 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.027 -1.293 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.748 -1.019 2.504 1.00 0.00 H new ATOM 492 N ALA A 36 -3.782 1.329 1.957 1.00 0.00 N ATOM 493 CA ALA A 36 -3.028 2.361 2.725 1.00 0.00 C ATOM 494 C ALA A 36 -3.005 3.671 1.936 1.00 0.00 C ATOM 495 O ALA A 36 -3.398 4.708 2.428 1.00 0.00 O ATOM 496 CB ALA A 36 -1.595 1.889 2.973 1.00 0.00 C ATOM 0 H ALA A 36 -3.237 0.519 1.663 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.521 2.520 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.053 2.650 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.611 0.960 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.097 1.720 2.018 1.00 0.00 H new ATOM 502 N ALA A 37 -2.546 3.633 0.712 1.00 0.00 N ATOM 503 CA ALA A 37 -2.504 4.881 -0.100 1.00 0.00 C ATOM 504 C ALA A 37 -3.923 5.424 -0.251 1.00 0.00 C ATOM 505 O ALA A 37 -4.159 6.607 -0.120 1.00 0.00 O ATOM 506 CB ALA A 37 -1.930 4.574 -1.483 1.00 0.00 C ATOM 0 H ALA A 37 -2.201 2.796 0.243 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.874 5.620 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.900 5.488 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.921 4.176 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.560 3.838 -1.983 1.00 0.00 H new ATOM 512 N LEU A 38 -4.874 4.568 -0.517 1.00 0.00 N ATOM 513 CA LEU A 38 -6.273 5.050 -0.668 1.00 0.00 C ATOM 514 C LEU A 38 -6.753 5.625 0.660 1.00 0.00 C ATOM 515 O LEU A 38 -7.145 6.759 0.741 1.00 0.00 O ATOM 516 CB LEU A 38 -7.182 3.889 -1.085 1.00 0.00 C ATOM 517 CG LEU A 38 -6.848 3.441 -2.518 1.00 0.00 C ATOM 518 CD1 LEU A 38 -7.456 2.060 -2.771 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.419 4.436 -3.542 1.00 0.00 C ATOM 0 H LEU A 38 -4.742 3.564 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.309 5.823 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.056 3.054 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.226 4.196 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.764 3.402 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.221 1.739 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.043 1.345 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.538 2.111 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.173 4.102 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.502 4.490 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.988 5.422 -3.371 1.00 0.00 H new ATOM 531 N ASP A 39 -6.726 4.859 1.704 1.00 0.00 N ATOM 532 CA ASP A 39 -7.198 5.395 3.014 1.00 0.00 C ATOM 533 C ASP A 39 -6.387 6.635 3.393 1.00 0.00 C ATOM 534 O ASP A 39 -6.911 7.585 3.943 1.00 0.00 O ATOM 535 CB ASP A 39 -7.009 4.327 4.093 1.00 0.00 C ATOM 536 CG ASP A 39 -7.805 4.707 5.340 1.00 0.00 C ATOM 537 OD1 ASP A 39 -7.491 5.725 5.935 1.00 0.00 O ATOM 538 OD2 ASP A 39 -8.714 3.969 5.684 1.00 0.00 O ATOM 0 H ASP A 39 -6.402 3.892 1.715 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.251 5.663 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.340 3.358 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.952 4.230 4.340 1.00 0.00 H new ATOM 543 N ALA A 40 -5.120 6.639 3.102 1.00 0.00 N ATOM 544 CA ALA A 40 -4.286 7.818 3.442 1.00 0.00 C ATOM 545 C ALA A 40 -4.666 8.975 2.527 1.00 0.00 C ATOM 546 O ALA A 40 -4.264 10.102 2.731 1.00 0.00 O ATOM 547 CB ALA A 40 -2.805 7.483 3.264 1.00 0.00 C ATOM 0 H ALA A 40 -4.625 5.875 2.642 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.459 8.097 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.202 8.355 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.538 6.655 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.618 7.200 2.228 1.00 0.00 H new ATOM 553 N GLN A 41 -5.440 8.706 1.512 1.00 0.00 N ATOM 554 CA GLN A 41 -5.844 9.781 0.588 1.00 0.00 C ATOM 555 C GLN A 41 -6.712 10.782 1.353 1.00 0.00 C ATOM 556 O GLN A 41 -6.641 10.888 2.561 1.00 0.00 O ATOM 557 CB GLN A 41 -6.610 9.162 -0.603 1.00 0.00 C ATOM 558 CG GLN A 41 -8.105 8.948 -0.269 1.00 0.00 C ATOM 559 CD GLN A 41 -8.676 7.782 -1.085 1.00 0.00 C ATOM 560 OE1 GLN A 41 -9.291 6.812 -0.467 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 -8.566 7.761 -2.295 1.00 0.00 N flip ATOM 0 H GLN A 41 -5.807 7.781 1.289 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.973 10.306 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.520 9.814 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.156 8.208 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.220 8.745 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.665 9.858 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.085 8.520 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.955 6.984 -2.829 1.00 0.00 H new ATOM 570 N LYS A 42 -7.529 11.504 0.656 1.00 0.00 N ATOM 571 CA LYS A 42 -8.426 12.500 1.331 1.00 0.00 C ATOM 572 C LYS A 42 -9.669 11.777 1.886 1.00 0.00 C ATOM 573 O LYS A 42 -10.780 12.252 1.815 1.00 0.00 O ATOM 574 CB LYS A 42 -8.760 13.674 0.360 1.00 0.00 C ATOM 575 CG LYS A 42 -10.000 13.441 -0.536 1.00 0.00 C ATOM 576 CD LYS A 42 -9.951 12.067 -1.211 1.00 0.00 C ATOM 577 CE LYS A 42 -10.788 12.078 -2.498 1.00 0.00 C ATOM 578 NZ LYS A 42 -10.001 12.715 -3.591 1.00 0.00 N ATOM 0 H LYS A 42 -7.624 11.456 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.920 12.955 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.918 14.579 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.896 13.855 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.906 13.521 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.053 14.220 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.919 11.804 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.329 11.305 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.061 11.060 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.717 12.625 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.445 12.503 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.978 13.745 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.030 12.343 -3.582 1.00 0.00 H new ATOM 592 N ALA A 43 -9.468 10.618 2.466 1.00 0.00 N ATOM 593 CA ALA A 43 -10.612 9.833 3.047 1.00 0.00 C ATOM 594 C ALA A 43 -10.562 9.947 4.566 1.00 0.00 C ATOM 595 O ALA A 43 -11.522 10.316 5.214 1.00 0.00 O ATOM 596 CB ALA A 43 -10.483 8.363 2.641 1.00 0.00 C ATOM 0 H ALA A 43 -8.554 10.176 2.564 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.558 10.225 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.312 7.795 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.503 8.283 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.541 7.963 3.017 1.00 0.00 H new ATOM 602 N THR A 44 -9.422 9.658 5.120 1.00 0.00 N ATOM 603 CA THR A 44 -9.217 9.761 6.584 1.00 0.00 C ATOM 604 C THR A 44 -7.836 10.384 6.765 1.00 0.00 C ATOM 605 O THR A 44 -6.963 9.821 7.394 1.00 0.00 O ATOM 606 CB THR A 44 -9.252 8.362 7.216 1.00 0.00 C ATOM 607 OG1 THR A 44 -10.483 7.728 6.890 1.00 0.00 O ATOM 608 CG2 THR A 44 -9.122 8.465 8.744 1.00 0.00 C ATOM 0 H THR A 44 -8.601 9.346 4.602 1.00 0.00 H new ATOM 0 HA THR A 44 -9.994 10.358 7.062 1.00 0.00 H new ATOM 0 HB THR A 44 -8.419 7.777 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.507 6.834 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.148 7.466 9.180 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.177 8.947 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.948 9.056 9.140 1.00 0.00 H new ATOM 616 N PRO A 45 -7.648 11.551 6.195 1.00 0.00 N ATOM 617 CA PRO A 45 -6.369 12.291 6.255 1.00 0.00 C ATOM 618 C PRO A 45 -5.608 12.058 7.571 1.00 0.00 C ATOM 619 O PRO A 45 -5.873 12.709 8.562 1.00 0.00 O ATOM 620 CB PRO A 45 -6.821 13.746 6.155 1.00 0.00 C ATOM 621 CG PRO A 45 -8.019 13.708 5.255 1.00 0.00 C ATOM 622 CD PRO A 45 -8.651 12.312 5.417 1.00 0.00 C ATOM 0 HA PRO A 45 -5.676 11.978 5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.074 14.151 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.035 14.378 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.730 14.488 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.730 13.884 4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.606 12.365 5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.843 11.846 4.450 1.00 0.00 H new ATOM 630 N PRO A 46 -4.661 11.149 7.588 1.00 0.00 N ATOM 631 CA PRO A 46 -3.871 10.865 8.808 1.00 0.00 C ATOM 632 C PRO A 46 -2.714 11.863 8.971 1.00 0.00 C ATOM 633 O PRO A 46 -2.886 12.939 9.509 1.00 0.00 O ATOM 634 CB PRO A 46 -3.366 9.426 8.596 1.00 0.00 C ATOM 635 CG PRO A 46 -3.396 9.183 7.104 1.00 0.00 C ATOM 636 CD PRO A 46 -4.244 10.300 6.460 1.00 0.00 C ATOM 0 HA PRO A 46 -4.456 10.965 9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.357 9.306 8.990 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.000 8.710 9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.385 9.188 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.824 8.205 6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.665 10.866 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.106 9.890 5.933 1.00 0.00 H new ATOM 644 N LYS A 47 -1.540 11.527 8.511 1.00 0.00 N ATOM 645 CA LYS A 47 -0.398 12.473 8.652 1.00 0.00 C ATOM 646 C LYS A 47 -0.696 13.764 7.880 1.00 0.00 C ATOM 647 O LYS A 47 -0.068 14.783 8.095 1.00 0.00 O ATOM 648 CB LYS A 47 0.876 11.823 8.104 1.00 0.00 C ATOM 649 CG LYS A 47 0.586 11.161 6.755 1.00 0.00 C ATOM 650 CD LYS A 47 1.906 10.867 6.028 1.00 0.00 C ATOM 651 CE LYS A 47 2.811 10.012 6.919 1.00 0.00 C ATOM 652 NZ LYS A 47 3.923 9.447 6.104 1.00 0.00 N ATOM 0 H LYS A 47 -1.323 10.645 8.047 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.256 12.713 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.657 12.574 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.248 11.081 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.029 10.236 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.038 11.814 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.707 10.347 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.408 11.801 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.213 10.616 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.235 9.207 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.125 8.476 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.648 9.437 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.774 10.033 6.223 1.00 0.00 H new ATOM 666 N LEU A 48 -1.664 13.742 6.998 1.00 0.00 N ATOM 667 CA LEU A 48 -2.006 14.978 6.236 1.00 0.00 C ATOM 668 C LEU A 48 -2.841 15.890 7.135 1.00 0.00 C ATOM 669 O LEU A 48 -4.043 15.752 7.238 1.00 0.00 O ATOM 670 CB LEU A 48 -2.827 14.627 4.988 1.00 0.00 C ATOM 671 CG LEU A 48 -2.061 13.652 4.083 1.00 0.00 C ATOM 672 CD1 LEU A 48 -3.023 13.089 3.032 1.00 0.00 C ATOM 673 CD2 LEU A 48 -0.903 14.375 3.378 1.00 0.00 C ATOM 0 H LEU A 48 -2.230 12.923 6.774 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.086 15.475 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.777 14.183 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.060 15.536 4.434 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.653 12.844 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.488 12.395 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.839 12.565 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.427 13.906 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.369 13.671 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.298 15.188 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.219 14.779 4.124 1.00 0.00 H new ATOM 685 N GLU A 49 -2.205 16.823 7.783 1.00 0.00 N ATOM 686 CA GLU A 49 -2.934 17.763 8.686 1.00 0.00 C ATOM 687 C GLU A 49 -2.216 19.113 8.646 1.00 0.00 C ATOM 688 O GLU A 49 -2.071 19.790 9.643 1.00 0.00 O ATOM 689 CB GLU A 49 -2.919 17.203 10.114 1.00 0.00 C ATOM 690 CG GLU A 49 -3.979 17.904 10.969 1.00 0.00 C ATOM 691 CD GLU A 49 -3.839 17.445 12.421 1.00 0.00 C ATOM 692 OE1 GLU A 49 -2.846 17.793 13.040 1.00 0.00 O ATOM 693 OE2 GLU A 49 -4.725 16.751 12.890 1.00 0.00 O ATOM 0 H GLU A 49 -1.199 16.979 7.727 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.969 17.883 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.109 16.130 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.933 17.343 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.859 18.985 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.976 17.671 10.596 1.00 0.00 H new ATOM 700 N ASP A 50 -1.754 19.495 7.490 1.00 0.00 N ATOM 701 CA ASP A 50 -1.025 20.786 7.355 1.00 0.00 C ATOM 702 C ASP A 50 -0.751 21.039 5.872 1.00 0.00 C ATOM 703 O ASP A 50 0.247 21.622 5.500 1.00 0.00 O ATOM 704 CB ASP A 50 0.301 20.694 8.117 1.00 0.00 C ATOM 705 CG ASP A 50 1.080 22.001 7.963 1.00 0.00 C ATOM 706 OD1 ASP A 50 0.756 22.946 8.663 1.00 0.00 O ATOM 707 OD2 ASP A 50 1.992 22.030 7.153 1.00 0.00 O ATOM 0 H ASP A 50 -1.851 18.964 6.625 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.620 21.603 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.112 20.495 9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.892 19.861 7.737 1.00 0.00 H new ATOM 712 N LYS A 51 -1.638 20.590 5.024 1.00 0.00 N ATOM 713 CA LYS A 51 -1.460 20.780 3.554 1.00 0.00 C ATOM 714 C LYS A 51 -2.833 20.921 2.901 1.00 0.00 C ATOM 715 O LYS A 51 -3.190 21.980 2.422 1.00 0.00 O ATOM 716 CB LYS A 51 -0.730 19.569 2.960 1.00 0.00 C ATOM 717 CG LYS A 51 0.642 19.420 3.625 1.00 0.00 C ATOM 718 CD LYS A 51 1.440 18.322 2.920 1.00 0.00 C ATOM 719 CE LYS A 51 2.703 18.007 3.731 1.00 0.00 C ATOM 720 NZ LYS A 51 2.321 17.418 5.045 1.00 0.00 N ATOM 0 H LYS A 51 -2.488 20.094 5.290 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.870 21.677 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.320 18.665 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.612 19.694 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.184 20.364 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.521 19.174 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.830 17.425 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.711 18.643 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.337 17.312 3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.285 18.916 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.103 16.833 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.120 18.181 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.473 16.828 4.927 1.00 0.00 H new ATOM 734 N SER A 52 -3.622 19.877 2.881 1.00 0.00 N ATOM 735 CA SER A 52 -4.971 20.003 2.259 1.00 0.00 C ATOM 736 C SER A 52 -4.796 20.601 0.857 1.00 0.00 C ATOM 737 O SER A 52 -3.684 20.760 0.400 1.00 0.00 O ATOM 738 CB SER A 52 -5.816 20.915 3.167 1.00 0.00 C ATOM 739 OG SER A 52 -7.102 20.341 3.357 1.00 0.00 O ATOM 0 H SER A 52 -3.395 18.958 3.262 1.00 0.00 H new ATOM 0 HA SER A 52 -5.475 19.041 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.320 21.047 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.911 21.904 2.719 1.00 0.00 H new ATOM 0 HG SER A 52 -7.637 20.922 3.937 1.00 0.00 H new ATOM 745 N PRO A 53 -5.869 20.917 0.175 1.00 0.00 N ATOM 746 CA PRO A 53 -5.802 21.507 -1.202 1.00 0.00 C ATOM 747 C PRO A 53 -5.047 22.843 -1.218 1.00 0.00 C ATOM 748 O PRO A 53 -5.434 23.786 -1.880 1.00 0.00 O ATOM 749 CB PRO A 53 -7.280 21.686 -1.588 1.00 0.00 C ATOM 750 CG PRO A 53 -8.010 20.725 -0.710 1.00 0.00 C ATOM 751 CD PRO A 53 -7.262 20.744 0.613 1.00 0.00 C ATOM 0 HA PRO A 53 -5.255 20.875 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.614 22.710 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.445 21.466 -2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.050 21.024 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.018 19.725 -1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.592 21.560 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.401 19.820 1.174 1.00 0.00 H new ATOM 759 N ASP A 54 -3.964 22.913 -0.489 1.00 0.00 N ATOM 760 CA ASP A 54 -3.143 24.156 -0.427 1.00 0.00 C ATOM 761 C ASP A 54 -1.826 23.908 -1.168 1.00 0.00 C ATOM 762 O ASP A 54 -1.607 24.405 -2.254 1.00 0.00 O ATOM 763 CB ASP A 54 -2.855 24.485 1.044 1.00 0.00 C ATOM 764 CG ASP A 54 -2.381 25.935 1.160 1.00 0.00 C ATOM 765 OD1 ASP A 54 -1.447 26.292 0.460 1.00 0.00 O ATOM 766 OD2 ASP A 54 -2.962 26.665 1.946 1.00 0.00 O ATOM 0 H ASP A 54 -3.608 22.143 0.078 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.673 24.989 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.753 24.336 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.094 23.810 1.436 1.00 0.00 H new ATOM 771 N SER A 55 -0.952 23.136 -0.585 1.00 0.00 N ATOM 772 CA SER A 55 0.350 22.840 -1.245 1.00 0.00 C ATOM 773 C SER A 55 0.091 21.936 -2.473 1.00 0.00 C ATOM 774 O SER A 55 -1.047 21.709 -2.827 1.00 0.00 O ATOM 775 CB SER A 55 1.262 22.141 -0.218 1.00 0.00 C ATOM 776 OG SER A 55 0.810 22.463 1.090 1.00 0.00 O ATOM 0 H SER A 55 -1.084 22.695 0.325 1.00 0.00 H new ATOM 0 HA SER A 55 0.839 23.752 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.242 21.062 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.295 22.463 -0.350 1.00 0.00 H new ATOM 0 HG SER A 55 1.382 22.022 1.752 1.00 0.00 H new ATOM 782 N PRO A 56 1.118 21.424 -3.128 1.00 0.00 N ATOM 783 CA PRO A 56 0.939 20.543 -4.334 1.00 0.00 C ATOM 784 C PRO A 56 0.155 19.257 -4.017 1.00 0.00 C ATOM 785 O PRO A 56 0.328 18.245 -4.659 1.00 0.00 O ATOM 786 CB PRO A 56 2.374 20.188 -4.768 1.00 0.00 C ATOM 787 CG PRO A 56 3.244 21.206 -4.113 1.00 0.00 C ATOM 788 CD PRO A 56 2.544 21.613 -2.818 1.00 0.00 C ATOM 0 HA PRO A 56 0.364 21.054 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.642 19.180 -4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.477 20.221 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.232 20.795 -3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.387 22.069 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.859 20.992 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.764 22.646 -2.550 1.00 0.00 H new ATOM 796 N GLU A 57 -0.685 19.291 -3.029 1.00 0.00 N ATOM 797 CA GLU A 57 -1.465 18.073 -2.661 1.00 0.00 C ATOM 798 C GLU A 57 -2.466 17.726 -3.780 1.00 0.00 C ATOM 799 O GLU A 57 -2.687 16.574 -4.092 1.00 0.00 O ATOM 800 CB GLU A 57 -2.211 18.349 -1.347 1.00 0.00 C ATOM 801 CG GLU A 57 -3.290 17.287 -1.099 1.00 0.00 C ATOM 802 CD GLU A 57 -3.819 17.429 0.330 1.00 0.00 C ATOM 803 OE1 GLU A 57 -3.034 17.763 1.202 1.00 0.00 O ATOM 804 OE2 GLU A 57 -5.002 17.203 0.528 1.00 0.00 O ATOM 0 H GLU A 57 -0.870 20.112 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.791 17.226 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.504 18.356 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.669 19.337 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.104 17.405 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.876 16.290 -1.249 1.00 0.00 H new ATOM 811 N MET A 58 -3.092 18.714 -4.355 1.00 0.00 N ATOM 812 CA MET A 58 -4.110 18.454 -5.423 1.00 0.00 C ATOM 813 C MET A 58 -3.487 17.796 -6.665 1.00 0.00 C ATOM 814 O MET A 58 -3.939 18.016 -7.771 1.00 0.00 O ATOM 815 CB MET A 58 -4.743 19.788 -5.838 1.00 0.00 C ATOM 816 CG MET A 58 -6.089 19.546 -6.549 1.00 0.00 C ATOM 817 SD MET A 58 -6.389 20.878 -7.743 1.00 0.00 S ATOM 818 CE MET A 58 -7.582 21.826 -6.765 1.00 0.00 C ATOM 0 H MET A 58 -2.944 19.699 -4.133 1.00 0.00 H new ATOM 0 HA MET A 58 -4.856 17.771 -5.017 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.896 20.414 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.067 20.328 -6.500 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.075 18.582 -7.058 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.897 19.509 -5.818 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.899 22.703 -7.329 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.449 21.203 -6.545 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.117 22.143 -5.831 1.00 0.00 H new ATOM 828 N LYS A 59 -2.468 16.997 -6.525 1.00 0.00 N ATOM 829 CA LYS A 59 -1.888 16.365 -7.744 1.00 0.00 C ATOM 830 C LYS A 59 -0.917 15.239 -7.362 1.00 0.00 C ATOM 831 O LYS A 59 -1.084 14.116 -7.798 1.00 0.00 O ATOM 832 CB LYS A 59 -1.193 17.418 -8.618 1.00 0.00 C ATOM 833 CG LYS A 59 -0.368 18.408 -7.756 1.00 0.00 C ATOM 834 CD LYS A 59 1.130 18.064 -7.836 1.00 0.00 C ATOM 835 CE LYS A 59 1.760 18.781 -9.043 1.00 0.00 C ATOM 836 NZ LYS A 59 2.215 20.136 -8.626 1.00 0.00 N ATOM 0 H LYS A 59 -2.019 16.757 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.700 15.926 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.538 16.924 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.939 17.967 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.533 19.428 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.703 18.366 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.633 18.367 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.261 16.986 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.602 18.204 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.035 18.861 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.548 20.662 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.423 20.648 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.992 20.046 -7.940 1.00 0.00 H new ATOM 850 N ASP A 60 0.082 15.485 -6.554 1.00 0.00 N ATOM 851 CA ASP A 60 0.992 14.360 -6.192 1.00 0.00 C ATOM 852 C ASP A 60 0.140 13.235 -5.618 1.00 0.00 C ATOM 853 O ASP A 60 0.493 12.081 -5.684 1.00 0.00 O ATOM 854 CB ASP A 60 2.028 14.815 -5.155 1.00 0.00 C ATOM 855 CG ASP A 60 1.425 15.910 -4.279 1.00 0.00 C ATOM 856 OD1 ASP A 60 0.212 15.937 -4.161 1.00 0.00 O ATOM 857 OD2 ASP A 60 2.182 16.700 -3.742 1.00 0.00 O ATOM 0 H ASP A 60 0.303 16.390 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 60 1.532 14.019 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.337 13.970 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.921 15.187 -5.657 1.00 0.00 H new ATOM 862 N PHE A 61 -0.997 13.568 -5.079 1.00 0.00 N ATOM 863 CA PHE A 61 -1.896 12.534 -4.530 1.00 0.00 C ATOM 864 C PHE A 61 -2.434 11.752 -5.715 1.00 0.00 C ATOM 865 O PHE A 61 -2.440 10.541 -5.721 1.00 0.00 O ATOM 866 CB PHE A 61 -3.006 13.251 -3.736 1.00 0.00 C ATOM 867 CG PHE A 61 -4.355 12.572 -3.869 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.465 11.179 -3.777 1.00 0.00 C ATOM 869 CD2 PHE A 61 -5.503 13.352 -4.072 1.00 0.00 C ATOM 870 CE1 PHE A 61 -5.719 10.567 -3.890 1.00 0.00 C ATOM 871 CE2 PHE A 61 -6.753 12.748 -4.182 1.00 0.00 C ATOM 872 CZ PHE A 61 -6.866 11.353 -4.090 1.00 0.00 C ATOM 0 H PHE A 61 -1.340 14.525 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.400 11.841 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.726 13.290 -2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.087 14.281 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.582 10.577 -3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.417 14.426 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.804 9.492 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.634 13.353 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.835 10.883 -4.173 1.00 0.00 H new ATOM 882 N ARG A 62 -2.866 12.448 -6.727 1.00 0.00 N ATOM 883 CA ARG A 62 -3.394 11.762 -7.929 1.00 0.00 C ATOM 884 C ARG A 62 -2.290 10.882 -8.529 1.00 0.00 C ATOM 885 O ARG A 62 -2.442 9.686 -8.670 1.00 0.00 O ATOM 886 CB ARG A 62 -3.848 12.803 -8.971 1.00 0.00 C ATOM 887 CG ARG A 62 -4.786 13.852 -8.331 1.00 0.00 C ATOM 888 CD ARG A 62 -6.247 13.402 -8.432 1.00 0.00 C ATOM 889 NE ARG A 62 -7.109 14.388 -7.722 1.00 0.00 N ATOM 890 CZ ARG A 62 -8.374 14.132 -7.516 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.897 13.017 -7.951 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.120 14.994 -6.876 1.00 0.00 N ATOM 0 H ARG A 62 -2.875 13.467 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.248 11.145 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.977 13.300 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.362 12.302 -9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.517 13.999 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.660 14.813 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.546 13.325 -9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.367 12.412 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.710 15.268 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.318 12.344 -8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.884 12.820 -7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.715 15.867 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.107 14.794 -6.715 1.00 0.00 H new ATOM 906 N HIS A 63 -1.183 11.476 -8.889 1.00 0.00 N ATOM 907 CA HIS A 63 -0.061 10.695 -9.488 1.00 0.00 C ATOM 908 C HIS A 63 0.576 9.777 -8.432 1.00 0.00 C ATOM 909 O HIS A 63 0.950 8.655 -8.713 1.00 0.00 O ATOM 910 CB HIS A 63 0.993 11.683 -10.027 1.00 0.00 C ATOM 911 CG HIS A 63 1.709 11.087 -11.212 1.00 0.00 C ATOM 912 ND1 HIS A 63 3.083 10.898 -11.231 1.00 0.00 N ATOM 913 CD2 HIS A 63 1.252 10.637 -12.426 1.00 0.00 C ATOM 914 CE1 HIS A 63 3.401 10.357 -12.422 1.00 0.00 C ATOM 915 NE2 HIS A 63 2.324 10.177 -13.188 1.00 0.00 N ATOM 0 H HIS A 63 -1.007 12.476 -8.793 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.441 10.073 -10.298 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.512 12.617 -10.316 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.711 11.924 -9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.219 10.639 -12.742 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.406 10.100 -12.721 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.292 9.786 -14.130 1.00 0.00 H new ATOM 923 N GLY A 64 0.735 10.263 -7.232 1.00 0.00 N ATOM 924 CA GLY A 64 1.384 9.450 -6.161 1.00 0.00 C ATOM 925 C GLY A 64 0.591 8.166 -5.879 1.00 0.00 C ATOM 926 O GLY A 64 1.140 7.084 -5.863 1.00 0.00 O ATOM 0 H GLY A 64 0.441 11.196 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.400 9.194 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.460 10.041 -5.248 1.00 0.00 H new ATOM 930 N PHE A 65 -0.688 8.269 -5.638 1.00 0.00 N ATOM 931 CA PHE A 65 -1.492 7.045 -5.337 1.00 0.00 C ATOM 932 C PHE A 65 -1.634 6.181 -6.607 1.00 0.00 C ATOM 933 O PHE A 65 -1.798 4.978 -6.534 1.00 0.00 O ATOM 934 CB PHE A 65 -2.880 7.460 -4.754 1.00 0.00 C ATOM 935 CG PHE A 65 -4.012 7.238 -5.749 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.427 5.939 -6.048 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.643 8.327 -6.358 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.469 5.724 -6.958 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.685 8.117 -7.266 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.098 6.814 -7.567 1.00 0.00 C ATOM 0 H PHE A 65 -1.212 9.144 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.982 6.441 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.077 6.887 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.852 8.511 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.943 5.097 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.325 9.333 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.786 4.718 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.171 8.960 -7.735 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.902 6.651 -8.269 1.00 0.00 H new ATOM 950 N ASP A 66 -1.578 6.781 -7.763 1.00 0.00 N ATOM 951 CA ASP A 66 -1.716 5.990 -9.022 1.00 0.00 C ATOM 952 C ASP A 66 -0.490 5.102 -9.210 1.00 0.00 C ATOM 953 O ASP A 66 -0.604 3.929 -9.497 1.00 0.00 O ATOM 954 CB ASP A 66 -1.843 6.948 -10.210 1.00 0.00 C ATOM 955 CG ASP A 66 -1.845 6.152 -11.516 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.721 5.319 -11.678 1.00 0.00 O ATOM 957 OD2 ASP A 66 -0.973 6.392 -12.335 1.00 0.00 O ATOM 0 H ASP A 66 -1.443 7.784 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.606 5.363 -8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.762 7.528 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.016 7.658 -10.207 1.00 0.00 H new ATOM 962 N ILE A 67 0.679 5.643 -9.053 1.00 0.00 N ATOM 963 CA ILE A 67 1.902 4.814 -9.223 1.00 0.00 C ATOM 964 C ILE A 67 1.870 3.673 -8.198 1.00 0.00 C ATOM 965 O ILE A 67 2.087 2.527 -8.525 1.00 0.00 O ATOM 966 CB ILE A 67 3.139 5.709 -9.049 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.151 6.747 -10.192 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.434 4.861 -9.093 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.037 7.933 -9.804 1.00 0.00 C ATOM 0 H ILE A 67 0.844 6.621 -8.815 1.00 0.00 H new ATOM 0 HA ILE A 67 1.945 4.374 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 67 3.096 6.211 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.522 6.288 -11.109 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.137 7.090 -10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.299 5.512 -8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.414 4.125 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.501 4.348 -10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.043 8.663 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.647 8.398 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.054 7.584 -9.623 1.00 0.00 H new ATOM 981 N LEU A 68 1.565 3.972 -6.965 1.00 0.00 N ATOM 982 CA LEU A 68 1.486 2.901 -5.930 1.00 0.00 C ATOM 983 C LEU A 68 0.424 1.885 -6.359 1.00 0.00 C ATOM 984 O LEU A 68 0.672 0.698 -6.403 1.00 0.00 O ATOM 985 CB LEU A 68 1.078 3.524 -4.580 1.00 0.00 C ATOM 986 CG LEU A 68 2.296 4.183 -3.908 1.00 0.00 C ATOM 987 CD1 LEU A 68 1.820 5.092 -2.766 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.248 3.115 -3.333 1.00 0.00 C ATOM 0 H LEU A 68 1.367 4.914 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 68 2.454 2.411 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.294 4.265 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.665 2.755 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 68 2.830 4.766 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.682 5.559 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.163 5.865 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.276 4.498 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.102 3.604 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.718 2.517 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.598 2.468 -4.138 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.751 2.346 -6.679 1.00 0.00 N ATOM 1001 CA VAL A 69 -1.835 1.417 -7.111 1.00 0.00 C ATOM 1002 C VAL A 69 -1.454 0.778 -8.458 1.00 0.00 C ATOM 1003 O VAL A 69 -1.667 -0.399 -8.681 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.152 2.215 -7.229 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -4.154 1.487 -8.137 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -3.762 2.389 -5.832 1.00 0.00 C ATOM 0 H VAL A 69 -1.011 3.332 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.969 0.619 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.933 3.188 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.073 2.069 -8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.725 1.370 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.376 0.505 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.692 2.952 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.965 1.409 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.063 2.930 -5.194 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.903 1.548 -9.354 1.00 0.00 N ATOM 1017 CA GLY A 70 -0.516 0.998 -10.688 1.00 0.00 C ATOM 1018 C GLY A 70 0.574 -0.068 -10.534 1.00 0.00 C ATOM 1019 O GLY A 70 0.703 -0.958 -11.350 1.00 0.00 O ATOM 0 H GLY A 70 -0.702 2.539 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.389 0.566 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.158 1.803 -11.330 1.00 0.00 H new ATOM 1023 N GLN A 71 1.367 0.019 -9.504 1.00 0.00 N ATOM 1024 CA GLN A 71 2.453 -0.983 -9.309 1.00 0.00 C ATOM 1025 C GLN A 71 1.878 -2.215 -8.641 1.00 0.00 C ATOM 1026 O GLN A 71 2.353 -3.321 -8.812 1.00 0.00 O ATOM 1027 CB GLN A 71 3.519 -0.384 -8.398 1.00 0.00 C ATOM 1028 CG GLN A 71 4.294 0.696 -9.148 1.00 0.00 C ATOM 1029 CD GLN A 71 5.022 1.586 -8.139 1.00 0.00 C ATOM 1030 OE1 GLN A 71 6.230 1.533 -8.039 1.00 0.00 O ATOM 1031 NE2 GLN A 71 4.334 2.399 -7.371 1.00 0.00 N ATOM 0 H GLN A 71 1.311 0.742 -8.787 1.00 0.00 H new ATOM 0 HA GLN A 71 2.887 -1.250 -10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.053 0.041 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.201 -1.164 -8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.010 0.239 -9.831 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.613 1.294 -9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.318 2.443 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.815 2.986 -6.690 1.00 0.00 H new ATOM 1040 N ILE A 72 0.859 -2.022 -7.878 1.00 0.00 N ATOM 1041 CA ILE A 72 0.231 -3.156 -7.176 1.00 0.00 C ATOM 1042 C ILE A 72 -0.314 -4.128 -8.217 1.00 0.00 C ATOM 1043 O ILE A 72 -0.211 -5.331 -8.068 1.00 0.00 O ATOM 1044 CB ILE A 72 -0.869 -2.589 -6.275 1.00 0.00 C ATOM 1045 CG1 ILE A 72 -0.192 -1.941 -5.046 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -1.830 -3.699 -5.831 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -1.135 -0.967 -4.333 1.00 0.00 C ATOM 0 H ILE A 72 0.426 -1.114 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 72 0.939 -3.703 -6.554 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.452 -1.847 -6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.123 -2.719 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.708 -1.413 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.604 -3.275 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.292 -4.153 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.278 -4.459 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.626 -0.530 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.429 -0.175 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.023 -1.502 -3.995 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.845 -3.630 -9.296 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.326 -4.555 -10.350 1.00 0.00 C ATOM 1061 C ASP A 73 -0.099 -5.197 -10.999 1.00 0.00 C ATOM 1062 O ASP A 73 -0.053 -6.391 -11.223 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.130 -3.796 -11.408 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.675 -4.795 -12.435 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -1.894 -5.268 -13.242 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -3.863 -5.072 -12.392 1.00 0.00 O ATOM 0 H ASP A 73 -0.965 -2.636 -9.491 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.976 -5.312 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.951 -3.253 -10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.499 -3.056 -11.901 1.00 0.00 H new ATOM 1071 N ASP A 74 0.910 -4.411 -11.292 1.00 0.00 N ATOM 1072 CA ASP A 74 2.140 -4.984 -11.913 1.00 0.00 C ATOM 1073 C ASP A 74 2.820 -5.946 -10.932 1.00 0.00 C ATOM 1074 O ASP A 74 3.377 -6.946 -11.323 1.00 0.00 O ATOM 1075 CB ASP A 74 3.120 -3.862 -12.282 1.00 0.00 C ATOM 1076 CG ASP A 74 2.350 -2.656 -12.818 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.277 -2.854 -13.360 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.852 -1.552 -12.679 1.00 0.00 O ATOM 0 H ASP A 74 0.933 -3.404 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 74 1.855 -5.524 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.702 -3.573 -11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.827 -4.216 -13.032 1.00 0.00 H new ATOM 1083 N ALA A 75 2.802 -5.634 -9.664 1.00 0.00 N ATOM 1084 CA ALA A 75 3.463 -6.521 -8.667 1.00 0.00 C ATOM 1085 C ALA A 75 2.593 -7.747 -8.386 1.00 0.00 C ATOM 1086 O ALA A 75 3.085 -8.841 -8.189 1.00 0.00 O ATOM 1087 CB ALA A 75 3.685 -5.750 -7.364 1.00 0.00 C ATOM 0 H ALA A 75 2.357 -4.802 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 75 4.421 -6.850 -9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.169 -6.400 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.320 -4.885 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.725 -5.415 -6.971 1.00 0.00 H new ATOM 1093 N LEU A 76 1.302 -7.568 -8.347 1.00 0.00 N ATOM 1094 CA LEU A 76 0.394 -8.711 -8.053 1.00 0.00 C ATOM 1095 C LEU A 76 0.448 -9.726 -9.198 1.00 0.00 C ATOM 1096 O LEU A 76 0.662 -10.902 -8.977 1.00 0.00 O ATOM 1097 CB LEU A 76 -1.034 -8.177 -7.879 1.00 0.00 C ATOM 1098 CG LEU A 76 -2.015 -9.334 -7.537 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -3.021 -8.878 -6.471 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.790 -9.761 -8.790 1.00 0.00 C ATOM 0 H LEU A 76 0.835 -6.675 -8.507 1.00 0.00 H new ATOM 0 HA LEU A 76 0.709 -9.210 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.054 -7.430 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.356 -7.679 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.432 -10.174 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.702 -9.697 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.486 -8.585 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.590 -8.028 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.473 -10.572 -8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.359 -8.913 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.090 -10.102 -9.552 1.00 0.00 H new ATOM 1112 N LYS A 77 0.278 -9.291 -10.415 1.00 0.00 N ATOM 1113 CA LYS A 77 0.345 -10.264 -11.546 1.00 0.00 C ATOM 1114 C LYS A 77 1.703 -10.948 -11.495 1.00 0.00 C ATOM 1115 O LYS A 77 1.824 -12.135 -11.720 1.00 0.00 O ATOM 1116 CB LYS A 77 0.193 -9.547 -12.904 1.00 0.00 C ATOM 1117 CG LYS A 77 1.208 -8.378 -13.035 1.00 0.00 C ATOM 1118 CD LYS A 77 2.463 -8.820 -13.813 1.00 0.00 C ATOM 1119 CE LYS A 77 2.216 -8.746 -15.330 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.767 -8.928 -15.630 1.00 0.00 N ATOM 0 H LYS A 77 0.098 -8.321 -10.676 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.466 -10.986 -11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.347 -10.259 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.823 -9.164 -13.005 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.737 -7.538 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.495 -8.028 -12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.306 -8.183 -13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.731 -9.839 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.555 -7.784 -15.714 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.798 -9.515 -15.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.618 -8.893 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.450 -9.849 -15.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.220 -8.169 -15.175 1.00 0.00 H new ATOM 1134 N LEU A 78 2.732 -10.205 -11.191 1.00 0.00 N ATOM 1135 CA LEU A 78 4.082 -10.809 -11.115 1.00 0.00 C ATOM 1136 C LEU A 78 4.045 -11.898 -10.051 1.00 0.00 C ATOM 1137 O LEU A 78 4.476 -13.003 -10.269 1.00 0.00 O ATOM 1138 CB LEU A 78 5.106 -9.719 -10.745 1.00 0.00 C ATOM 1139 CG LEU A 78 6.484 -10.022 -11.365 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.971 -11.407 -10.906 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.407 -9.963 -12.913 1.00 0.00 C ATOM 0 H LEU A 78 2.691 -9.205 -10.993 1.00 0.00 H new ATOM 0 HA LEU A 78 4.375 -11.241 -12.072 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.752 -8.749 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.197 -9.654 -9.661 1.00 0.00 H new ATOM 0 HG LEU A 78 7.195 -9.267 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.945 -11.615 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.055 -11.422 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.258 -12.167 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.389 -10.179 -13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.688 -10.701 -13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.090 -8.968 -13.224 1.00 0.00 H new ATOM 1153 N ALA A 79 3.510 -11.597 -8.906 1.00 0.00 N ATOM 1154 CA ALA A 79 3.431 -12.629 -7.843 1.00 0.00 C ATOM 1155 C ALA A 79 2.633 -13.816 -8.374 1.00 0.00 C ATOM 1156 O ALA A 79 3.069 -14.944 -8.305 1.00 0.00 O ATOM 1157 CB ALA A 79 2.751 -12.039 -6.606 1.00 0.00 C ATOM 0 H ALA A 79 3.125 -10.685 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 79 4.431 -12.961 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.693 -12.798 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.329 -11.189 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.745 -11.709 -6.866 1.00 0.00 H new ATOM 1163 N ASN A 80 1.479 -13.580 -8.921 1.00 0.00 N ATOM 1164 CA ASN A 80 0.688 -14.709 -9.475 1.00 0.00 C ATOM 1165 C ASN A 80 1.513 -15.392 -10.572 1.00 0.00 C ATOM 1166 O ASN A 80 1.933 -16.524 -10.441 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.623 -14.178 -10.064 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.659 -14.018 -8.955 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -1.796 -14.867 -8.095 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.394 -12.956 -8.951 1.00 0.00 N ATOM 0 H ASN A 80 1.049 -12.659 -9.009 1.00 0.00 H new ATOM 0 HA ASN A 80 0.455 -15.425 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.451 -13.220 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.995 -14.864 -10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.096 -12.824 -8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.272 -12.249 -9.676 1.00 0.00 H new ATOM 1177 N GLU A 81 1.733 -14.698 -11.658 1.00 0.00 N ATOM 1178 CA GLU A 81 2.518 -15.267 -12.796 1.00 0.00 C ATOM 1179 C GLU A 81 4.007 -15.399 -12.424 1.00 0.00 C ATOM 1180 O GLU A 81 4.842 -15.659 -13.266 1.00 0.00 O ATOM 1181 CB GLU A 81 2.367 -14.324 -13.999 1.00 0.00 C ATOM 1182 CG GLU A 81 2.754 -15.040 -15.309 1.00 0.00 C ATOM 1183 CD GLU A 81 1.549 -15.799 -15.869 1.00 0.00 C ATOM 1184 OE1 GLU A 81 0.933 -16.532 -15.115 1.00 0.00 O ATOM 1185 OE2 GLU A 81 1.268 -15.636 -17.045 1.00 0.00 O ATOM 0 H GLU A 81 1.397 -13.747 -11.808 1.00 0.00 H new ATOM 0 HA GLU A 81 2.142 -16.262 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.338 -13.971 -14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.997 -13.446 -13.860 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.107 -14.312 -16.040 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.576 -15.732 -15.125 1.00 0.00 H new ATOM 1192 N GLY A 82 4.362 -15.220 -11.176 1.00 0.00 N ATOM 1193 CA GLY A 82 5.807 -15.336 -10.784 1.00 0.00 C ATOM 1194 C GLY A 82 5.923 -16.010 -9.424 1.00 0.00 C ATOM 1195 O GLY A 82 4.954 -16.186 -8.718 1.00 0.00 O ATOM 0 H GLY A 82 3.721 -15.000 -10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.351 -15.912 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.264 -14.347 -10.749 1.00 0.00 H new ATOM 1199 N LYS A 83 7.106 -16.378 -9.037 1.00 0.00 N ATOM 1200 CA LYS A 83 7.276 -17.017 -7.711 1.00 0.00 C ATOM 1201 C LYS A 83 7.254 -15.924 -6.656 1.00 0.00 C ATOM 1202 O LYS A 83 6.926 -14.786 -6.934 1.00 0.00 O ATOM 1203 CB LYS A 83 8.618 -17.740 -7.640 1.00 0.00 C ATOM 1204 CG LYS A 83 8.569 -19.029 -8.469 1.00 0.00 C ATOM 1205 CD LYS A 83 9.760 -19.915 -8.102 1.00 0.00 C ATOM 1206 CE LYS A 83 9.537 -21.321 -8.661 1.00 0.00 C ATOM 1207 NZ LYS A 83 8.305 -21.901 -8.056 1.00 0.00 N ATOM 0 H LYS A 83 7.961 -16.264 -9.581 1.00 0.00 H new ATOM 0 HA LYS A 83 6.476 -17.739 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.410 -17.090 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.859 -17.975 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.636 -19.560 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.593 -18.791 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.680 -19.493 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.877 -19.956 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.440 -21.282 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.397 -21.953 -8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.407 -22.933 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.162 -21.500 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.485 -21.675 -8.655 1.00 0.00 H new ATOM 1221 N VAL A 84 7.615 -16.245 -5.448 1.00 0.00 N ATOM 1222 CA VAL A 84 7.624 -15.212 -4.386 1.00 0.00 C ATOM 1223 C VAL A 84 8.971 -14.487 -4.434 1.00 0.00 C ATOM 1224 O VAL A 84 9.067 -13.310 -4.150 1.00 0.00 O ATOM 1225 CB VAL A 84 7.372 -15.890 -3.020 1.00 0.00 C ATOM 1226 CG1 VAL A 84 8.671 -16.371 -2.367 1.00 0.00 C ATOM 1227 CG2 VAL A 84 6.679 -14.915 -2.066 1.00 0.00 C ATOM 0 H VAL A 84 7.904 -17.178 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 84 6.834 -14.476 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 84 6.737 -16.756 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.445 -16.841 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.160 -17.094 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.334 -15.521 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.507 -15.404 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.311 -14.039 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.725 -14.606 -2.492 1.00 0.00 H new ATOM 1237 N LYS A 85 10.009 -15.185 -4.811 1.00 0.00 N ATOM 1238 CA LYS A 85 11.348 -14.546 -4.903 1.00 0.00 C ATOM 1239 C LYS A 85 11.311 -13.497 -6.027 1.00 0.00 C ATOM 1240 O LYS A 85 11.795 -12.394 -5.880 1.00 0.00 O ATOM 1241 CB LYS A 85 12.406 -15.636 -5.201 1.00 0.00 C ATOM 1242 CG LYS A 85 13.645 -15.442 -4.313 1.00 0.00 C ATOM 1243 CD LYS A 85 14.820 -16.247 -4.878 1.00 0.00 C ATOM 1244 CE LYS A 85 16.084 -15.956 -4.065 1.00 0.00 C ATOM 1245 NZ LYS A 85 16.488 -14.534 -4.261 1.00 0.00 N ATOM 0 H LYS A 85 9.984 -16.174 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 85 11.610 -14.055 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.978 -16.623 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.694 -15.594 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.907 -14.385 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.428 -15.764 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.592 -17.312 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.981 -15.987 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.902 -16.150 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.890 -16.620 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.493 -14.492 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.913 -14.111 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.340 -14.006 -3.377 1.00 0.00 H new ATOM 1259 N GLU A 86 10.728 -13.842 -7.147 1.00 0.00 N ATOM 1260 CA GLU A 86 10.645 -12.875 -8.279 1.00 0.00 C ATOM 1261 C GLU A 86 9.828 -11.663 -7.845 1.00 0.00 C ATOM 1262 O GLU A 86 10.143 -10.537 -8.175 1.00 0.00 O ATOM 1263 CB GLU A 86 9.963 -13.540 -9.477 1.00 0.00 C ATOM 1264 CG GLU A 86 10.725 -14.809 -9.857 1.00 0.00 C ATOM 1265 CD GLU A 86 12.122 -14.435 -10.355 1.00 0.00 C ATOM 1266 OE1 GLU A 86 12.225 -13.480 -11.109 1.00 0.00 O ATOM 1267 OE2 GLU A 86 13.065 -15.109 -9.977 1.00 0.00 O ATOM 0 H GLU A 86 10.306 -14.753 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 86 11.650 -12.562 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.929 -13.783 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.937 -12.852 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.800 -15.473 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.184 -15.352 -10.632 1.00 0.00 H new ATOM 1274 N ALA A 87 8.778 -11.885 -7.106 1.00 0.00 N ATOM 1275 CA ALA A 87 7.942 -10.740 -6.648 1.00 0.00 C ATOM 1276 C ALA A 87 8.757 -9.877 -5.681 1.00 0.00 C ATOM 1277 O ALA A 87 8.674 -8.664 -5.694 1.00 0.00 O ATOM 1278 CB ALA A 87 6.686 -11.268 -5.948 1.00 0.00 C ATOM 0 H ALA A 87 8.463 -12.806 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 87 7.642 -10.137 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.076 -10.429 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.112 -11.880 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.975 -11.872 -5.088 1.00 0.00 H new ATOM 1284 N GLN A 88 9.553 -10.492 -4.851 1.00 0.00 N ATOM 1285 CA GLN A 88 10.382 -9.715 -3.902 1.00 0.00 C ATOM 1286 C GLN A 88 11.300 -8.805 -4.726 1.00 0.00 C ATOM 1287 O GLN A 88 11.417 -7.623 -4.474 1.00 0.00 O ATOM 1288 CB GLN A 88 11.162 -10.735 -3.028 1.00 0.00 C ATOM 1289 CG GLN A 88 12.642 -10.372 -2.845 1.00 0.00 C ATOM 1290 CD GLN A 88 12.769 -9.096 -2.012 1.00 0.00 C ATOM 1291 OE1 GLN A 88 12.896 -7.947 -2.612 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 12.755 -9.147 -0.797 1.00 0.00 N flip ATOM 0 H GLN A 88 9.662 -11.504 -4.793 1.00 0.00 H new ATOM 0 HA GLN A 88 9.797 -9.080 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.688 -10.801 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.091 -11.723 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.168 -11.191 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.113 -10.229 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.656 -10.046 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.843 -8.291 -0.250 1.00 0.00 H new ATOM 1301 N ALA A 89 11.938 -9.359 -5.716 1.00 0.00 N ATOM 1302 CA ALA A 89 12.849 -8.552 -6.576 1.00 0.00 C ATOM 1303 C ALA A 89 12.070 -7.398 -7.218 1.00 0.00 C ATOM 1304 O ALA A 89 12.572 -6.300 -7.346 1.00 0.00 O ATOM 1305 CB ALA A 89 13.427 -9.454 -7.670 1.00 0.00 C ATOM 0 H ALA A 89 11.868 -10.344 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 89 13.657 -8.141 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.095 -8.873 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.982 -10.272 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.615 -9.860 -8.273 1.00 0.00 H new ATOM 1311 N ALA A 90 10.849 -7.633 -7.616 1.00 0.00 N ATOM 1312 CA ALA A 90 10.046 -6.544 -8.241 1.00 0.00 C ATOM 1313 C ALA A 90 9.918 -5.383 -7.257 1.00 0.00 C ATOM 1314 O ALA A 90 10.010 -4.230 -7.626 1.00 0.00 O ATOM 1315 CB ALA A 90 8.649 -7.070 -8.581 1.00 0.00 C ATOM 0 H ALA A 90 10.373 -8.532 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 90 10.541 -6.204 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.062 -6.274 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.734 -7.904 -9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.155 -7.407 -7.670 1.00 0.00 H new ATOM 1321 N ALA A 91 9.696 -5.681 -6.006 1.00 0.00 N ATOM 1322 CA ALA A 91 9.550 -4.598 -4.994 1.00 0.00 C ATOM 1323 C ALA A 91 10.844 -3.777 -4.913 1.00 0.00 C ATOM 1324 O ALA A 91 10.809 -2.570 -4.785 1.00 0.00 O ATOM 1325 CB ALA A 91 9.251 -5.222 -3.629 1.00 0.00 C ATOM 0 H ALA A 91 9.609 -6.630 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 91 8.731 -3.940 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.143 -4.433 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.326 -5.796 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.070 -5.881 -3.343 1.00 0.00 H new ATOM 1331 N GLU A 92 11.984 -4.415 -4.983 1.00 0.00 N ATOM 1332 CA GLU A 92 13.263 -3.650 -4.906 1.00 0.00 C ATOM 1333 C GLU A 92 13.352 -2.666 -6.070 1.00 0.00 C ATOM 1334 O GLU A 92 13.512 -1.476 -5.878 1.00 0.00 O ATOM 1335 CB GLU A 92 14.454 -4.604 -4.953 1.00 0.00 C ATOM 1336 CG GLU A 92 14.210 -5.767 -3.998 1.00 0.00 C ATOM 1337 CD GLU A 92 15.471 -6.629 -3.913 1.00 0.00 C ATOM 1338 OE1 GLU A 92 16.553 -6.066 -3.933 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.335 -7.840 -3.833 1.00 0.00 O ATOM 0 H GLU A 92 12.084 -5.425 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 92 13.284 -3.101 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.596 -4.976 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.367 -4.077 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.946 -5.391 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.369 -6.367 -4.346 1.00 0.00 H new ATOM 1346 N GLN A 93 13.251 -3.131 -7.287 1.00 0.00 N ATOM 1347 CA GLN A 93 13.337 -2.168 -8.416 1.00 0.00 C ATOM 1348 C GLN A 93 12.188 -1.170 -8.276 1.00 0.00 C ATOM 1349 O GLN A 93 12.347 0.010 -8.525 1.00 0.00 O ATOM 1350 CB GLN A 93 13.262 -2.895 -9.764 1.00 0.00 C ATOM 1351 CG GLN A 93 12.082 -3.860 -9.773 1.00 0.00 C ATOM 1352 CD GLN A 93 12.026 -4.576 -11.123 1.00 0.00 C ATOM 1353 OE1 GLN A 93 11.977 -5.878 -11.156 1.00 0.00 O flip ATOM 1354 NE2 GLN A 93 12.026 -3.941 -12.160 1.00 0.00 N flip ATOM 0 H GLN A 93 13.116 -4.109 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 93 14.293 -1.646 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.156 -2.171 -10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.189 -3.440 -9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.185 -4.586 -8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.153 -3.318 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.064 -2.922 -12.134 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.988 -4.427 -13.056 1.00 0.00 H new ATOM 1363 N LEU A 94 11.037 -1.621 -7.842 1.00 0.00 N ATOM 1364 CA LEU A 94 9.905 -0.672 -7.653 1.00 0.00 C ATOM 1365 C LEU A 94 10.144 0.125 -6.375 1.00 0.00 C ATOM 1366 O LEU A 94 9.446 1.071 -6.095 1.00 0.00 O ATOM 1367 CB LEU A 94 8.573 -1.410 -7.524 1.00 0.00 C ATOM 1368 CG LEU A 94 8.210 -2.105 -8.842 1.00 0.00 C ATOM 1369 CD1 LEU A 94 6.988 -2.999 -8.621 1.00 0.00 C ATOM 1370 CD2 LEU A 94 7.908 -1.059 -9.937 1.00 0.00 C ATOM 0 H LEU A 94 10.837 -2.595 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 94 9.855 -0.018 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.636 -2.147 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.787 -0.707 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 94 9.053 -2.713 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.726 -3.495 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.218 -3.749 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.148 -2.391 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.652 -1.568 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.071 -0.435 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.787 -0.434 -10.096 1.00 0.00 H new ATOM 1382 N LYS A 95 11.120 -0.244 -5.584 1.00 0.00 N ATOM 1383 CA LYS A 95 11.363 0.522 -4.329 1.00 0.00 C ATOM 1384 C LYS A 95 11.885 1.908 -4.696 1.00 0.00 C ATOM 1385 O LYS A 95 11.344 2.913 -4.282 1.00 0.00 O ATOM 1386 CB LYS A 95 12.396 -0.204 -3.451 1.00 0.00 C ATOM 1387 CG LYS A 95 12.569 0.531 -2.093 1.00 0.00 C ATOM 1388 CD LYS A 95 13.861 1.361 -2.095 1.00 0.00 C ATOM 1389 CE LYS A 95 13.959 2.164 -0.796 1.00 0.00 C ATOM 1390 NZ LYS A 95 14.207 1.237 0.348 1.00 0.00 N ATOM 0 H LYS A 95 11.749 -1.030 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 95 10.432 0.607 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.076 -1.231 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.353 -0.252 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.712 1.180 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.597 -0.195 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.726 0.705 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.871 2.034 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.766 2.894 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.038 2.723 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.474 1.787 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.343 0.695 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.977 0.582 0.104 1.00 0.00 H new ATOM 1404 N THR A 96 12.932 1.976 -5.471 1.00 0.00 N ATOM 1405 CA THR A 96 13.479 3.299 -5.860 1.00 0.00 C ATOM 1406 C THR A 96 12.550 3.979 -6.870 1.00 0.00 C ATOM 1407 O THR A 96 12.518 5.187 -6.978 1.00 0.00 O ATOM 1408 CB THR A 96 14.852 3.095 -6.499 1.00 0.00 C ATOM 1409 OG1 THR A 96 15.692 2.388 -5.598 1.00 0.00 O ATOM 1410 CG2 THR A 96 15.471 4.449 -6.827 1.00 0.00 C ATOM 0 H THR A 96 13.430 1.171 -5.850 1.00 0.00 H new ATOM 0 HA THR A 96 13.562 3.930 -4.975 1.00 0.00 H new ATOM 0 HB THR A 96 14.743 2.520 -7.418 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.572 2.255 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.450 4.301 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.825 4.986 -7.522 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.581 5.030 -5.911 1.00 0.00 H new ATOM 1418 N THR A 97 11.805 3.216 -7.623 1.00 0.00 N ATOM 1419 CA THR A 97 10.893 3.811 -8.639 1.00 0.00 C ATOM 1420 C THR A 97 9.494 3.993 -8.034 1.00 0.00 C ATOM 1421 O THR A 97 8.705 4.791 -8.500 1.00 0.00 O ATOM 1422 CB THR A 97 10.847 2.858 -9.834 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.051 2.979 -10.575 1.00 0.00 O ATOM 1424 CG2 THR A 97 9.659 3.182 -10.733 1.00 0.00 C ATOM 0 H THR A 97 11.790 2.197 -7.577 1.00 0.00 H new ATOM 0 HA THR A 97 11.249 4.790 -8.958 1.00 0.00 H new ATOM 0 HB THR A 97 10.737 1.837 -9.468 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.026 2.368 -11.341 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.643 2.493 -11.578 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.734 3.080 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.749 4.204 -11.100 1.00 0.00 H new ATOM 1432 N GLY A 98 9.183 3.255 -7.008 1.00 0.00 N ATOM 1433 CA GLY A 98 7.836 3.377 -6.374 1.00 0.00 C ATOM 1434 C GLY A 98 7.816 4.592 -5.440 1.00 0.00 C ATOM 1435 O GLY A 98 8.331 5.642 -5.762 1.00 0.00 O ATOM 0 H GLY A 98 9.803 2.569 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.070 3.483 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.603 2.471 -5.814 1.00 0.00 H new ATOM 1439 N ARG A 99 7.218 4.455 -4.286 1.00 0.00 N ATOM 1440 CA ARG A 99 7.154 5.594 -3.327 1.00 0.00 C ATOM 1441 C ARG A 99 6.710 6.862 -4.073 1.00 0.00 C ATOM 1442 O ARG A 99 5.700 6.866 -4.743 1.00 0.00 O ATOM 1443 CB ARG A 99 8.534 5.795 -2.684 1.00 0.00 C ATOM 1444 CG ARG A 99 8.811 4.641 -1.716 1.00 0.00 C ATOM 1445 CD ARG A 99 10.132 4.888 -0.980 1.00 0.00 C ATOM 1446 NE ARG A 99 10.248 3.937 0.165 1.00 0.00 N ATOM 1447 CZ ARG A 99 11.320 3.941 0.909 1.00 0.00 C ATOM 1448 NH1 ARG A 99 12.306 4.749 0.631 1.00 0.00 N ATOM 1449 NH2 ARG A 99 11.408 3.131 1.927 1.00 0.00 N ATOM 0 H ARG A 99 6.769 3.597 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 99 6.431 5.381 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.305 5.833 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 99 8.566 6.746 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.995 4.552 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.859 3.699 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.971 4.756 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.173 5.916 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 99 9.490 3.285 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.239 5.379 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.143 4.751 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.640 2.495 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.245 3.133 2.509 1.00 0.00 H new ATOM 1463 N ALA A 100 7.446 7.933 -3.945 1.00 0.00 N ATOM 1464 CA ALA A 100 7.070 9.207 -4.624 1.00 0.00 C ATOM 1465 C ALA A 100 5.853 9.791 -3.918 1.00 0.00 C ATOM 1466 O ALA A 100 5.483 10.929 -4.129 1.00 0.00 O ATOM 1467 CB ALA A 100 6.758 8.951 -6.109 1.00 0.00 C ATOM 0 H ALA A 100 8.302 7.980 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 100 7.900 9.912 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.485 9.890 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.638 8.534 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.930 8.247 -6.191 1.00 0.00 H new ATOM 1473 N GLY A 101 5.232 9.017 -3.068 1.00 0.00 N ATOM 1474 CA GLY A 101 4.046 9.516 -2.330 1.00 0.00 C ATOM 1475 C GLY A 101 4.512 10.295 -1.103 1.00 0.00 C ATOM 1476 O GLY A 101 3.719 10.832 -0.353 1.00 0.00 O ATOM 0 H GLY A 101 5.500 8.056 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.444 10.156 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.413 8.682 -2.028 1.00 0.00 H new ATOM 1480 N ASN A 102 5.799 10.346 -0.887 1.00 0.00 N ATOM 1481 CA ASN A 102 6.340 11.073 0.295 1.00 0.00 C ATOM 1482 C ASN A 102 7.736 11.609 -0.040 1.00 0.00 C ATOM 1483 O ASN A 102 8.688 11.380 0.680 1.00 0.00 O ATOM 1484 CB ASN A 102 6.432 10.083 1.466 1.00 0.00 C ATOM 1485 CG ASN A 102 6.289 10.825 2.796 1.00 0.00 C ATOM 1486 OD1 ASN A 102 6.863 11.987 2.942 1.00 0.00 O flip ATOM 1487 ND2 ASN A 102 5.647 10.343 3.708 1.00 0.00 N flip ATOM 0 H ASN A 102 6.503 9.912 -1.484 1.00 0.00 H new ATOM 0 HA ASN A 102 5.692 11.908 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.651 9.328 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.387 9.558 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.199 9.434 3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.556 10.847 4.590 1.00 0.00 H new ATOM 1494 N GLN A 103 7.868 12.307 -1.138 1.00 0.00 N ATOM 1495 CA GLN A 103 9.192 12.844 -1.542 1.00 0.00 C ATOM 1496 C GLN A 103 9.022 14.259 -2.080 1.00 0.00 C ATOM 1497 O GLN A 103 9.832 15.132 -1.837 1.00 0.00 O ATOM 1498 CB GLN A 103 9.735 11.953 -2.646 1.00 0.00 C ATOM 1499 CG GLN A 103 11.199 12.291 -2.909 1.00 0.00 C ATOM 1500 CD GLN A 103 11.756 11.347 -3.977 1.00 0.00 C ATOM 1501 OE1 GLN A 103 12.482 10.422 -3.669 1.00 0.00 O ATOM 1502 NE2 GLN A 103 11.441 11.540 -5.229 1.00 0.00 N ATOM 0 H GLN A 103 7.103 12.528 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 103 9.873 12.864 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.640 10.905 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.151 12.090 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.291 13.326 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.776 12.198 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.832 12.316 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.804 10.915 -5.948 1.00 0.00 H new ATOM 1511 N LYS A 104 7.968 14.492 -2.809 1.00 0.00 N ATOM 1512 CA LYS A 104 7.730 15.847 -3.365 1.00 0.00 C ATOM 1513 C LYS A 104 6.974 16.653 -2.316 1.00 0.00 C ATOM 1514 O LYS A 104 7.520 17.513 -1.651 1.00 0.00 O ATOM 1515 CB LYS A 104 6.873 15.743 -4.639 1.00 0.00 C ATOM 1516 CG LYS A 104 6.239 17.107 -4.974 1.00 0.00 C ATOM 1517 CD LYS A 104 5.693 17.080 -6.408 1.00 0.00 C ATOM 1518 CE LYS A 104 4.994 18.415 -6.753 1.00 0.00 C ATOM 1519 NZ LYS A 104 5.880 19.217 -7.644 1.00 0.00 N ATOM 0 H LYS A 104 7.259 13.797 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 104 8.677 16.326 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.489 15.407 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.091 14.996 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.435 17.329 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.980 17.900 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.508 16.899 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.988 16.256 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.041 18.223 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.776 18.971 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.414 20.116 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.779 19.410 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.066 18.685 -8.518 1.00 0.00 H new ATOM 1533 N GLY A 105 5.715 16.370 -2.170 1.00 0.00 N ATOM 1534 CA GLY A 105 4.891 17.092 -1.174 1.00 0.00 C ATOM 1535 C GLY A 105 5.046 16.387 0.168 1.00 0.00 C ATOM 1536 O GLY A 105 4.126 16.307 0.959 1.00 0.00 O ATOM 0 H GLY A 105 5.217 15.660 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.210 18.131 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.845 17.102 -1.480 1.00 0.00 H new ATOM 1540 N GLY A 106 6.225 15.868 0.420 1.00 0.00 N ATOM 1541 CA GLY A 106 6.502 15.150 1.698 1.00 0.00 C ATOM 1542 C GLY A 106 7.807 15.679 2.296 1.00 0.00 C ATOM 1543 O GLY A 106 7.760 16.704 2.956 1.00 0.00 O ATOM 1544 OXT GLY A 106 8.832 15.053 2.081 1.00 0.00 O ATOM 0 H GLY A 106 7.018 15.915 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.680 15.298 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.578 14.078 1.518 1.00 0.00 H new TER 1548 GLY A 106