USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 909 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 59 THR OG1 : rot 145:sc= 0.506 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.848 K(o=-0.34,f=-13!) USER MOD Set 2.1: A 26 TYR OH : rot 30:sc= -0.43 USER MOD Set 2.2: A 48 GLN : amide:sc= -8.13! C(o=-9.2!,f=-10!) USER MOD Set 2.3: A 87 LYS NZ :NH3+ -165:sc= -0.601 (180deg=-1.09) USER MOD Set 3.1: A 1 GLU N :NH3+ 152:sc= -0.167 (180deg=-1.71) USER MOD Set 3.2: A 3 LYS NZ :NH3+ 146:sc= -1.13 (180deg=-1.2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 40:sc= 0.363 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.0729 (180deg=-0.457) USER MOD Single : A 8 TYR OH : rot 70:sc= -0.021 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.25) USER MOD Single : A 19 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.107) USER MOD Single : A 28 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.5) USER MOD Single : A 31 MET CE :methyl -168:sc= 0 (180deg=-0.183) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.312) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -5.52! C(o=-6.7!,f=-5.5!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.26 (180deg=-1.01) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -5.14! C(o=-5.1!,f=-9.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 127:sc= -1.46! USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.587 F(o=-2,f=-0.59) USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= -0.0671 (180deg=-0.585) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -143:sc= 0.808 USER MOD Single : A 93 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -27.546 7.438 -0.316 1.00 0.00 N ATOM 2 CA GLU A 1 -28.373 7.112 -1.499 1.00 0.00 C ATOM 3 C GLU A 1 -27.809 7.766 -2.759 1.00 0.00 C ATOM 4 O GLU A 1 -27.873 8.988 -2.903 1.00 0.00 O ATOM 5 CB GLU A 1 -29.803 7.596 -1.246 1.00 0.00 C ATOM 6 CG GLU A 1 -29.916 9.100 -1.087 1.00 0.00 C ATOM 7 CD GLU A 1 -30.476 9.777 -2.311 1.00 0.00 C ATOM 8 OE1 GLU A 1 -31.291 9.148 -3.019 1.00 0.00 O ATOM 9 OE2 GLU A 1 -30.106 10.944 -2.576 1.00 0.00 O ATOM 0 H1 GLU A 1 -28.139 7.417 0.538 1.00 0.00 H new ATOM 0 H2 GLU A 1 -26.781 6.739 -0.224 1.00 0.00 H new ATOM 0 H3 GLU A 1 -27.136 8.387 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 1 -28.366 6.033 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -30.437 7.278 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -30.187 7.114 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -30.553 9.323 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -28.931 9.512 -0.868 1.00 0.00 H new ATOM 18 N ASP A 2 -27.270 6.952 -3.649 1.00 0.00 N ATOM 19 CA ASP A 2 -26.702 7.455 -4.893 1.00 0.00 C ATOM 20 C ASP A 2 -25.547 8.413 -4.615 1.00 0.00 C ATOM 21 O ASP A 2 -25.758 9.520 -4.115 1.00 0.00 O ATOM 22 CB ASP A 2 -27.771 8.156 -5.728 1.00 0.00 C ATOM 23 CG ASP A 2 -28.959 7.259 -6.021 1.00 0.00 C ATOM 24 OD1 ASP A 2 -29.384 6.515 -5.111 1.00 0.00 O ATOM 25 OD2 ASP A 2 -29.467 7.296 -7.157 1.00 0.00 O ATOM 0 H ASP A 2 -27.212 5.940 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 2 -26.319 6.603 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -28.113 9.047 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -27.332 8.491 -6.668 1.00 0.00 H new ATOM 30 N LYS A 3 -24.331 7.986 -4.951 1.00 0.00 N ATOM 31 CA LYS A 3 -23.148 8.807 -4.735 1.00 0.00 C ATOM 32 C LYS A 3 -22.197 8.704 -5.921 1.00 0.00 C ATOM 33 O LYS A 3 -21.523 7.694 -6.099 1.00 0.00 O ATOM 34 CB LYS A 3 -22.437 8.381 -3.449 1.00 0.00 C ATOM 35 CG LYS A 3 -22.849 9.193 -2.229 1.00 0.00 C ATOM 36 CD LYS A 3 -22.983 8.312 -0.999 1.00 0.00 C ATOM 37 CE LYS A 3 -24.392 7.746 -0.864 1.00 0.00 C ATOM 38 NZ LYS A 3 -24.624 6.604 -1.783 1.00 0.00 N ATOM 0 H LYS A 3 -24.142 7.077 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.464 9.846 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.644 7.327 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.360 8.474 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.110 9.972 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -23.797 9.693 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -22.266 7.493 -1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -22.736 8.890 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.556 7.423 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.119 8.531 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -25.261 5.918 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.057 6.949 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -23.717 6.143 -2.000 1.00 0.00 H new ATOM 52 N TYR A 4 -22.135 9.775 -6.716 1.00 0.00 N ATOM 53 CA TYR A 4 -21.271 9.837 -7.887 1.00 0.00 C ATOM 54 C TYR A 4 -21.149 8.483 -8.592 1.00 0.00 C ATOM 55 O TYR A 4 -21.984 8.141 -9.432 1.00 0.00 O ATOM 56 CB TYR A 4 -19.893 10.375 -7.491 1.00 0.00 C ATOM 57 CG TYR A 4 -19.487 10.086 -6.061 1.00 0.00 C ATOM 58 CD1 TYR A 4 -20.147 10.686 -4.996 1.00 0.00 C ATOM 59 CD2 TYR A 4 -18.437 9.225 -5.774 1.00 0.00 C ATOM 60 CE1 TYR A 4 -19.781 10.426 -3.688 1.00 0.00 C ATOM 61 CE2 TYR A 4 -18.060 8.961 -4.473 1.00 0.00 C ATOM 62 CZ TYR A 4 -18.741 9.565 -3.431 1.00 0.00 C ATOM 63 OH TYR A 4 -18.367 9.304 -2.134 1.00 0.00 O ATOM 0 H TYR A 4 -22.684 10.621 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 4 -21.730 10.520 -8.602 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.146 9.948 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -19.881 11.454 -7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -20.961 11.368 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -17.904 8.752 -6.585 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -20.310 10.897 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -17.240 8.288 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.616 8.674 -2.130 1.00 0.00 H new ATOM 73 N THR A 5 -20.122 7.727 -8.250 1.00 0.00 N ATOM 74 CA THR A 5 -19.895 6.413 -8.843 1.00 0.00 C ATOM 75 C THR A 5 -19.561 5.384 -7.762 1.00 0.00 C ATOM 76 O THR A 5 -19.802 5.613 -6.579 1.00 0.00 O ATOM 77 CB THR A 5 -18.760 6.487 -9.870 1.00 0.00 C ATOM 78 OG1 THR A 5 -18.615 5.251 -10.543 1.00 0.00 O ATOM 79 CG2 THR A 5 -17.425 6.844 -9.255 1.00 0.00 C ATOM 0 H THR A 5 -19.424 8.000 -7.559 1.00 0.00 H new ATOM 0 HA THR A 5 -20.809 6.099 -9.347 1.00 0.00 H new ATOM 0 HB THR A 5 -19.042 7.279 -10.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.500 4.875 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.664 6.880 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.496 7.818 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.152 6.091 -8.516 1.00 0.00 H new ATOM 87 N ASP A 6 -19.012 4.247 -8.186 1.00 0.00 N ATOM 88 CA ASP A 6 -18.648 3.189 -7.249 1.00 0.00 C ATOM 89 C ASP A 6 -17.750 3.723 -6.140 1.00 0.00 C ATOM 90 O ASP A 6 -16.595 4.066 -6.377 1.00 0.00 O ATOM 91 CB ASP A 6 -17.931 2.055 -7.989 1.00 0.00 C ATOM 92 CG ASP A 6 -18.898 1.008 -8.498 1.00 0.00 C ATOM 93 OD1 ASP A 6 -19.550 0.344 -7.668 1.00 0.00 O ATOM 94 OD2 ASP A 6 -19.004 0.844 -9.731 1.00 0.00 O ATOM 0 H ASP A 6 -18.811 4.037 -9.164 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.565 2.809 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.369 2.468 -8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.208 1.586 -7.321 1.00 0.00 H new ATOM 99 N LYS A 7 -18.290 3.787 -4.924 1.00 0.00 N ATOM 100 CA LYS A 7 -17.536 4.284 -3.781 1.00 0.00 C ATOM 101 C LYS A 7 -16.393 3.343 -3.439 1.00 0.00 C ATOM 102 O LYS A 7 -16.123 2.381 -4.162 1.00 0.00 O ATOM 103 CB LYS A 7 -18.455 4.450 -2.565 1.00 0.00 C ATOM 104 CG LYS A 7 -19.820 5.016 -2.905 1.00 0.00 C ATOM 105 CD LYS A 7 -20.300 5.992 -1.844 1.00 0.00 C ATOM 106 CE LYS A 7 -21.136 5.289 -0.782 1.00 0.00 C ATOM 107 NZ LYS A 7 -20.936 5.896 0.485 1.00 0.00 N ATOM 0 H LYS A 7 -19.245 3.501 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.120 5.256 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.583 3.481 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.970 5.105 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.776 5.520 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.538 4.202 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -19.442 6.473 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.890 6.780 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -22.191 5.334 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -20.864 4.235 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -21.767 5.726 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.093 5.487 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.801 6.920 0.362 1.00 0.00 H new ATOM 121 N TYR A 8 -15.705 3.627 -2.337 1.00 0.00 N ATOM 122 CA TYR A 8 -14.589 2.818 -1.889 1.00 0.00 C ATOM 123 C TYR A 8 -15.069 1.579 -1.155 1.00 0.00 C ATOM 124 O TYR A 8 -15.415 1.639 0.000 1.00 0.00 O ATOM 125 CB TYR A 8 -13.678 3.648 -0.984 1.00 0.00 C ATOM 126 CG TYR A 8 -12.902 4.713 -1.720 1.00 0.00 C ATOM 127 CD1 TYR A 8 -13.539 5.821 -2.263 1.00 0.00 C ATOM 128 CD2 TYR A 8 -11.525 4.618 -1.875 1.00 0.00 C ATOM 129 CE1 TYR A 8 -12.832 6.798 -2.938 1.00 0.00 C ATOM 130 CE2 TYR A 8 -10.810 5.591 -2.552 1.00 0.00 C ATOM 131 CZ TYR A 8 -11.472 6.674 -3.078 1.00 0.00 C ATOM 132 OH TYR A 8 -10.763 7.645 -3.747 1.00 0.00 O ATOM 0 H TYR A 8 -15.909 4.424 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 8 -14.028 2.492 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.282 4.121 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.977 2.983 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.609 5.921 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.002 3.769 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.346 7.653 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.740 5.500 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.747 8.466 -3.212 1.00 0.00 H new ATOM 142 N ASP A 9 -15.092 0.459 -1.856 1.00 0.00 N ATOM 143 CA ASP A 9 -15.528 -0.729 -1.283 1.00 0.00 C ATOM 144 C ASP A 9 -14.886 -0.971 0.013 1.00 0.00 C ATOM 145 O ASP A 9 -13.704 -0.678 0.199 1.00 0.00 O ATOM 146 CB ASP A 9 -15.209 -1.878 -2.247 1.00 0.00 C ATOM 147 CG ASP A 9 -13.836 -2.492 -2.008 1.00 0.00 C ATOM 148 OD1 ASP A 9 -12.864 -1.727 -1.820 1.00 0.00 O ATOM 149 OD2 ASP A 9 -13.732 -3.739 -2.018 1.00 0.00 O ATOM 0 H ASP A 9 -14.803 0.384 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.602 -0.663 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.970 -2.652 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.263 -1.511 -3.272 1.00 0.00 H new ATOM 154 N ASN A 10 -15.663 -1.494 0.938 1.00 0.00 N ATOM 155 CA ASN A 10 -15.166 -1.767 2.278 1.00 0.00 C ATOM 156 C ASN A 10 -14.131 -2.881 2.265 1.00 0.00 C ATOM 157 O ASN A 10 -14.424 -4.008 1.865 1.00 0.00 O ATOM 158 CB ASN A 10 -16.327 -2.141 3.205 1.00 0.00 C ATOM 159 CG ASN A 10 -17.073 -0.929 3.714 1.00 0.00 C ATOM 160 OD1 ASN A 10 -18.205 -0.664 3.305 1.00 0.00 O ATOM 161 ND2 ASN A 10 -16.440 -0.192 4.618 1.00 0.00 N ATOM 0 H ASN A 10 -16.642 -1.740 0.791 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.686 -0.862 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.019 -2.792 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.943 -2.710 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.891 0.636 5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.503 -0.454 4.924 1.00 0.00 H new ATOM 168 N ILE A 11 -12.923 -2.558 2.711 1.00 0.00 N ATOM 169 CA ILE A 11 -11.839 -3.519 2.763 1.00 0.00 C ATOM 170 C ILE A 11 -10.904 -3.221 3.939 1.00 0.00 C ATOM 171 O ILE A 11 -9.678 -3.274 3.807 1.00 0.00 O ATOM 172 CB ILE A 11 -11.026 -3.513 1.456 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.977 -4.622 1.472 1.00 0.00 C ATOM 174 CG2 ILE A 11 -10.374 -2.155 1.256 1.00 0.00 C ATOM 175 CD1 ILE A 11 -10.265 -5.751 0.498 1.00 0.00 C ATOM 0 H ILE A 11 -12.673 -1.627 3.044 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.286 -4.504 2.897 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.701 -3.700 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.003 -4.192 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.910 -5.032 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.801 -2.160 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.144 -1.386 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.708 -1.944 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.477 -6.501 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.223 -6.208 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.302 -5.355 -0.517 1.00 0.00 H new ATOM 187 N ASN A 12 -11.494 -2.906 5.079 1.00 0.00 N ATOM 188 CA ASN A 12 -10.747 -2.593 6.289 1.00 0.00 C ATOM 189 C ASN A 12 -9.579 -1.652 5.998 1.00 0.00 C ATOM 190 O ASN A 12 -8.591 -1.625 6.725 1.00 0.00 O ATOM 191 CB ASN A 12 -10.232 -3.870 6.941 1.00 0.00 C ATOM 192 CG ASN A 12 -10.153 -3.760 8.452 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.120 -3.361 9.105 1.00 0.00 O ATOM 194 ND2 ASN A 12 -9.005 -4.115 9.012 1.00 0.00 N ATOM 0 H ASN A 12 -12.506 -2.859 5.194 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.428 -2.088 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.886 -4.700 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.244 -4.103 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.894 -4.064 10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.232 -4.439 8.430 1.00 0.00 H new ATOM 201 N LEU A 13 -9.711 -0.864 4.939 1.00 0.00 N ATOM 202 CA LEU A 13 -8.670 0.036 4.546 1.00 0.00 C ATOM 203 C LEU A 13 -8.770 1.290 5.367 1.00 0.00 C ATOM 204 O LEU A 13 -8.629 2.394 4.836 1.00 0.00 O ATOM 205 CB LEU A 13 -8.779 0.326 3.051 1.00 0.00 C ATOM 206 CG LEU A 13 -7.472 0.206 2.277 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.695 -0.465 0.965 1.00 0.00 C ATOM 208 CD2 LEU A 13 -6.875 1.573 2.006 1.00 0.00 C ATOM 0 H LEU A 13 -10.539 -0.841 4.343 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.692 -0.411 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.507 -0.359 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.171 1.334 2.919 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.790 -0.383 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.749 -0.540 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.098 -1.464 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.401 0.118 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.943 1.460 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.576 2.166 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.676 2.077 2.952 1.00 0.00 H new ATOM 220 N ASP A 14 -8.993 1.139 6.661 1.00 0.00 N ATOM 221 CA ASP A 14 -9.081 2.270 7.562 1.00 0.00 C ATOM 222 C ASP A 14 -7.893 2.254 8.507 1.00 0.00 C ATOM 223 O ASP A 14 -7.292 3.290 8.800 1.00 0.00 O ATOM 224 CB ASP A 14 -10.390 2.225 8.360 1.00 0.00 C ATOM 225 CG ASP A 14 -10.885 3.600 8.740 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.650 4.196 7.946 1.00 0.00 O ATOM 227 OD2 ASP A 14 -10.508 4.098 9.822 1.00 0.00 O ATOM 0 H ASP A 14 -9.117 0.233 7.113 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.070 3.190 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.154 1.718 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.240 1.634 9.264 1.00 0.00 H new ATOM 232 N GLU A 15 -7.543 1.060 8.964 1.00 0.00 N ATOM 233 CA GLU A 15 -6.412 0.876 9.862 1.00 0.00 C ATOM 234 C GLU A 15 -5.130 1.380 9.208 1.00 0.00 C ATOM 235 O GLU A 15 -4.231 1.875 9.893 1.00 0.00 O ATOM 236 CB GLU A 15 -6.271 -0.520 10.246 1.00 0.00 C ATOM 237 CG GLU A 15 -6.664 -0.814 11.685 1.00 0.00 C ATOM 238 CD GLU A 15 -8.128 -0.534 11.955 1.00 0.00 C ATOM 239 OE1 GLU A 15 -8.977 -0.923 11.131 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.427 0.027 13.003 1.00 0.00 O ATOM 0 H GLU A 15 -8.031 0.197 8.725 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.598 1.457 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.883 -1.131 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.235 -0.824 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.450 -1.859 11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.052 -0.211 12.356 1.00 0.00 H new ATOM 247 N ILE A 16 -5.041 1.257 7.887 1.00 0.00 N ATOM 248 CA ILE A 16 -3.857 1.716 7.170 1.00 0.00 C ATOM 249 C ILE A 16 -4.087 3.089 6.550 1.00 0.00 C ATOM 250 O ILE A 16 -3.450 3.456 5.568 1.00 0.00 O ATOM 251 CB ILE A 16 -3.417 0.725 6.072 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.886 -0.618 6.402 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.904 0.759 5.915 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.503 -1.637 5.350 1.00 0.00 C ATOM 0 H ILE A 16 -5.766 0.848 7.297 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.058 1.782 7.909 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.860 1.016 5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.471 -0.919 7.364 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.970 -0.604 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.603 0.056 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.590 1.765 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.434 0.480 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.875 -2.619 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.940 -1.354 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.418 -1.673 5.257 1.00 0.00 H new ATOM 266 N LEU A 17 -5.003 3.849 7.154 1.00 0.00 N ATOM 267 CA LEU A 17 -5.318 5.192 6.683 1.00 0.00 C ATOM 268 C LEU A 17 -5.939 6.015 7.804 1.00 0.00 C ATOM 269 O LEU A 17 -6.751 6.908 7.558 1.00 0.00 O ATOM 270 CB LEU A 17 -6.279 5.140 5.493 1.00 0.00 C ATOM 271 CG LEU A 17 -5.624 4.934 4.135 1.00 0.00 C ATOM 272 CD1 LEU A 17 -6.676 4.885 3.043 1.00 0.00 C ATOM 273 CD2 LEU A 17 -4.610 6.031 3.853 1.00 0.00 C ATOM 0 H LEU A 17 -5.538 3.554 7.971 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.388 5.663 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.993 4.334 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.848 6.069 5.466 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.096 3.981 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.192 4.737 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.362 4.060 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.231 5.823 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.154 5.863 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.111 6.999 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.837 6.018 4.621 1.00 0.00 H new ATOM 285 N ALA A 18 -5.565 5.695 9.032 1.00 0.00 N ATOM 286 CA ALA A 18 -6.089 6.395 10.191 1.00 0.00 C ATOM 287 C ALA A 18 -4.987 6.764 11.180 1.00 0.00 C ATOM 288 O ALA A 18 -5.016 7.840 11.776 1.00 0.00 O ATOM 289 CB ALA A 18 -7.150 5.547 10.877 1.00 0.00 C ATOM 0 H ALA A 18 -4.899 4.954 9.251 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.538 7.324 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.537 6.081 11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.964 5.349 10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.710 4.603 11.198 1.00 0.00 H new ATOM 295 N ASN A 19 -4.019 5.869 11.365 1.00 0.00 N ATOM 296 CA ASN A 19 -2.933 6.134 12.303 1.00 0.00 C ATOM 297 C ASN A 19 -1.582 5.620 11.790 1.00 0.00 C ATOM 298 O ASN A 19 -1.423 4.444 11.438 1.00 0.00 O ATOM 299 CB ASN A 19 -3.235 5.518 13.677 1.00 0.00 C ATOM 300 CG ASN A 19 -3.922 4.167 13.570 1.00 0.00 C ATOM 301 OD1 ASN A 19 -5.008 3.968 14.088 1.00 0.00 O ATOM 302 ND2 ASN A 19 -3.267 3.226 12.890 1.00 0.00 N ATOM 0 H ASN A 19 -3.964 4.970 10.887 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.862 7.217 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.305 5.406 14.234 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.867 6.200 14.246 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.673 2.296 12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.360 3.436 12.473 1.00 0.00 H new ATOM 309 N LYS A 20 -0.605 6.524 11.786 1.00 0.00 N ATOM 310 CA LYS A 20 0.666 6.175 11.353 1.00 0.00 C ATOM 311 C LYS A 20 1.210 5.021 12.178 1.00 0.00 C ATOM 312 O LYS A 20 2.138 4.342 11.763 1.00 0.00 O ATOM 313 CB LYS A 20 1.618 7.383 11.444 1.00 0.00 C ATOM 314 CG LYS A 20 1.211 8.449 12.450 1.00 0.00 C ATOM 315 CD LYS A 20 0.944 7.856 13.829 1.00 0.00 C ATOM 316 CE LYS A 20 0.404 8.899 14.783 1.00 0.00 C ATOM 317 NZ LYS A 20 0.529 8.478 16.202 1.00 0.00 N ATOM 0 H LYS A 20 -0.709 7.493 12.085 1.00 0.00 H new ATOM 0 HA LYS A 20 0.598 5.861 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.614 7.023 11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.691 7.844 10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.999 9.199 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.316 8.960 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.231 7.036 13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.866 7.436 14.231 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.940 9.837 14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.644 9.091 14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.389 8.586 16.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.826 7.482 16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.238 9.071 16.679 1.00 0.00 H new ATOM 331 N ARG A 21 0.621 4.785 13.348 1.00 0.00 N ATOM 332 CA ARG A 21 1.061 3.688 14.192 1.00 0.00 C ATOM 333 C ARG A 21 1.033 2.375 13.420 1.00 0.00 C ATOM 334 O ARG A 21 1.931 1.545 13.547 1.00 0.00 O ATOM 335 CB ARG A 21 0.178 3.583 15.439 1.00 0.00 C ATOM 336 CG ARG A 21 0.119 4.871 16.248 1.00 0.00 C ATOM 337 CD ARG A 21 -0.776 4.743 17.416 1.00 0.00 C ATOM 338 NE ARG A 21 -1.551 5.957 17.623 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.189 6.251 18.753 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.146 5.410 19.779 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.878 7.380 18.851 1.00 0.00 N ATOM 0 H ARG A 21 -0.152 5.333 13.726 1.00 0.00 H new ATOM 0 HA ARG A 21 2.086 3.888 14.504 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.832 3.305 15.138 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.553 2.781 16.074 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.121 5.135 16.585 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.228 5.685 15.611 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.450 3.899 17.270 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.186 4.529 18.307 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.609 6.624 16.854 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.624 4.537 19.702 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.635 5.636 20.645 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.919 8.023 18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.367 7.605 19.717 1.00 0.00 H new ATOM 355 N LEU A 22 0.001 2.202 12.608 1.00 0.00 N ATOM 356 CA LEU A 22 -0.077 0.999 11.808 1.00 0.00 C ATOM 357 C LEU A 22 0.386 1.227 10.398 1.00 0.00 C ATOM 358 O LEU A 22 1.105 0.387 9.861 1.00 0.00 O ATOM 359 CB LEU A 22 -1.522 0.551 11.780 1.00 0.00 C ATOM 360 CG LEU A 22 -1.851 -0.450 10.752 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.060 -1.258 11.192 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.091 0.117 9.384 1.00 0.00 C ATOM 0 H LEU A 22 -0.770 2.859 12.490 1.00 0.00 H new ATOM 0 HA LEU A 22 0.573 0.245 12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.777 0.141 12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.154 1.426 11.627 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.969 -1.084 10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.301 -1.998 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.837 -1.765 12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.911 -0.592 11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.327 -0.691 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.925 0.817 9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.196 0.637 9.044 1.00 0.00 H new ATOM 374 N LEU A 23 0.044 2.360 9.803 1.00 0.00 N ATOM 375 CA LEU A 23 0.512 2.668 8.463 1.00 0.00 C ATOM 376 C LEU A 23 2.038 2.616 8.441 1.00 0.00 C ATOM 377 O LEU A 23 2.660 2.045 7.526 1.00 0.00 O ATOM 378 CB LEU A 23 0.043 4.049 8.013 1.00 0.00 C ATOM 379 CG LEU A 23 -1.318 4.093 7.462 1.00 0.00 C ATOM 380 CD1 LEU A 23 -2.306 4.401 8.573 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.423 5.121 6.346 1.00 0.00 C ATOM 0 H LEU A 23 -0.550 3.074 10.223 1.00 0.00 H new ATOM 0 HA LEU A 23 0.098 1.930 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.097 4.729 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.736 4.424 7.260 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.555 3.119 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.316 4.434 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.249 3.625 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.064 5.366 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.441 5.132 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.172 6.108 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.731 4.861 5.545 1.00 0.00 H new ATOM 393 N VAL A 24 2.633 3.182 9.481 1.00 0.00 N ATOM 394 CA VAL A 24 4.075 3.200 9.620 1.00 0.00 C ATOM 395 C VAL A 24 4.588 1.804 9.931 1.00 0.00 C ATOM 396 O VAL A 24 5.569 1.360 9.358 1.00 0.00 O ATOM 397 CB VAL A 24 4.536 4.171 10.723 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.034 4.060 10.952 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.153 5.601 10.365 1.00 0.00 C ATOM 0 H VAL A 24 2.132 3.637 10.244 1.00 0.00 H new ATOM 0 HA VAL A 24 4.487 3.546 8.672 1.00 0.00 H new ATOM 0 HB VAL A 24 4.032 3.898 11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.335 4.756 11.735 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.281 3.043 11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.562 4.302 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.486 6.275 11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.628 5.880 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.070 5.672 10.259 1.00 0.00 H new ATOM 409 N ALA A 25 3.907 1.098 10.834 1.00 0.00 N ATOM 410 CA ALA A 25 4.304 -0.181 11.193 1.00 0.00 C ATOM 411 C ALA A 25 4.522 -1.012 9.946 1.00 0.00 C ATOM 412 O ALA A 25 5.558 -1.668 9.798 1.00 0.00 O ATOM 413 CB ALA A 25 3.275 -0.813 12.104 1.00 0.00 C ATOM 0 H ALA A 25 3.071 1.434 11.313 1.00 0.00 H new ATOM 0 HA ALA A 25 5.244 -0.131 11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.599 -1.817 12.378 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.166 -0.208 13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.317 -0.870 11.587 1.00 0.00 H new ATOM 419 N TYR A 26 3.562 -0.970 9.028 1.00 0.00 N ATOM 420 CA TYR A 26 3.671 -1.706 7.779 1.00 0.00 C ATOM 421 C TYR A 26 4.855 -1.157 6.983 1.00 0.00 C ATOM 422 O TYR A 26 5.732 -1.904 6.539 1.00 0.00 O ATOM 423 CB TYR A 26 2.378 -1.601 6.957 1.00 0.00 C ATOM 424 CG TYR A 26 2.144 -2.767 6.014 1.00 0.00 C ATOM 425 CD1 TYR A 26 3.139 -3.704 5.756 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.924 -2.921 5.377 1.00 0.00 C ATOM 427 CE1 TYR A 26 2.925 -4.759 4.894 1.00 0.00 C ATOM 428 CE2 TYR A 26 0.696 -3.971 4.510 1.00 0.00 C ATOM 429 CZ TYR A 26 1.698 -4.892 4.267 1.00 0.00 C ATOM 430 OH TYR A 26 1.479 -5.940 3.412 1.00 0.00 O ATOM 0 H TYR A 26 2.700 -0.433 9.128 1.00 0.00 H new ATOM 0 HA TYR A 26 3.832 -2.761 8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.532 -1.525 7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.403 -0.679 6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.099 -3.603 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.136 -2.206 5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.710 -5.477 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.263 -4.073 4.023 1.00 0.00 H new ATOM 0 HH TYR A 26 2.019 -6.708 3.691 1.00 0.00 H new ATOM 440 N VAL A 27 4.882 0.102 6.835 1.00 0.00 N ATOM 441 CA VAL A 27 5.973 0.739 6.128 1.00 0.00 C ATOM 442 C VAL A 27 7.305 0.405 6.794 1.00 0.00 C ATOM 443 O VAL A 27 8.289 0.114 6.116 1.00 0.00 O ATOM 444 CB VAL A 27 5.790 2.262 6.083 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.977 2.923 5.403 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.485 2.622 5.392 1.00 0.00 C ATOM 0 H VAL A 27 4.168 0.740 7.187 1.00 0.00 H new ATOM 0 HA VAL A 27 5.973 0.358 5.107 1.00 0.00 H new ATOM 0 HB VAL A 27 5.741 2.637 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.829 4.003 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.888 2.693 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.067 2.548 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.372 3.706 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.495 2.237 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.651 2.182 5.938 1.00 0.00 H new ATOM 456 N ASN A 28 7.320 0.446 8.120 1.00 0.00 N ATOM 457 CA ASN A 28 8.518 0.147 8.880 1.00 0.00 C ATOM 458 C ASN A 28 8.909 -1.231 8.625 1.00 0.00 C ATOM 459 O ASN A 28 10.092 -1.569 8.601 1.00 0.00 O ATOM 460 CB ASN A 28 8.282 0.359 10.371 1.00 0.00 C ATOM 461 CG ASN A 28 8.661 1.752 10.812 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.838 2.654 9.988 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.788 1.949 12.120 1.00 0.00 N ATOM 0 H ASN A 28 6.509 0.685 8.691 1.00 0.00 H new ATOM 0 HA ASN A 28 9.316 0.821 8.568 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.232 0.179 10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.861 -0.370 10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.040 2.872 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.633 1.178 12.769 1.00 0.00 H new ATOM 470 N CYS A 29 7.903 -2.072 8.397 1.00 0.00 N ATOM 471 CA CYS A 29 8.144 -3.480 8.116 1.00 0.00 C ATOM 472 C CYS A 29 8.915 -3.613 6.822 1.00 0.00 C ATOM 473 O CYS A 29 9.891 -4.358 6.749 1.00 0.00 O ATOM 474 CB CYS A 29 6.829 -4.242 8.019 1.00 0.00 C ATOM 475 SG CYS A 29 7.047 -6.046 7.944 1.00 0.00 S ATOM 0 H CYS A 29 6.919 -1.802 8.402 1.00 0.00 H new ATOM 0 HA CYS A 29 8.727 -3.906 8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.209 -3.993 8.880 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.290 -3.911 7.131 1.00 0.00 H new ATOM 480 N VAL A 30 8.485 -2.871 5.803 1.00 0.00 N ATOM 481 CA VAL A 30 9.165 -2.912 4.509 1.00 0.00 C ATOM 482 C VAL A 30 10.671 -2.656 4.702 1.00 0.00 C ATOM 483 O VAL A 30 11.489 -3.096 3.906 1.00 0.00 O ATOM 484 CB VAL A 30 8.556 -1.905 3.501 1.00 0.00 C ATOM 485 CG1 VAL A 30 9.558 -1.453 2.447 1.00 0.00 C ATOM 486 CG2 VAL A 30 7.331 -2.527 2.845 1.00 0.00 C ATOM 0 H VAL A 30 7.682 -2.244 5.845 1.00 0.00 H new ATOM 0 HA VAL A 30 9.024 -3.906 4.085 1.00 0.00 H new ATOM 0 HB VAL A 30 8.267 -1.012 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.078 -0.749 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.404 -0.968 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.909 -2.318 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.900 -1.821 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.622 -3.437 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.593 -2.769 3.609 1.00 0.00 H new ATOM 496 N MET A 31 11.020 -1.956 5.779 1.00 0.00 N ATOM 497 CA MET A 31 12.422 -1.681 6.082 1.00 0.00 C ATOM 498 C MET A 31 13.185 -2.979 6.363 1.00 0.00 C ATOM 499 O MET A 31 14.410 -3.000 6.301 1.00 0.00 O ATOM 500 CB MET A 31 12.533 -0.718 7.272 1.00 0.00 C ATOM 501 CG MET A 31 12.790 -1.396 8.617 1.00 0.00 C ATOM 502 SD MET A 31 12.348 -0.358 10.021 1.00 0.00 S ATOM 503 CE MET A 31 13.463 0.948 9.777 1.00 0.00 C ATOM 0 H MET A 31 10.357 -1.571 6.452 1.00 0.00 H new ATOM 0 HA MET A 31 12.874 -1.207 5.210 1.00 0.00 H new ATOM 0 HB2 MET A 31 13.339 -0.011 7.076 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.612 -0.140 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.221 -2.324 8.665 1.00 0.00 H new ATOM 0 HG3 MET A 31 13.844 -1.664 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.482 1.580 10.665 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.460 0.546 9.596 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.148 1.539 8.917 1.00 0.00 H new ATOM 513 N GLU A 32 12.429 -4.048 6.664 1.00 0.00 N ATOM 514 CA GLU A 32 12.983 -5.379 6.951 1.00 0.00 C ATOM 515 C GLU A 32 13.027 -5.658 8.455 1.00 0.00 C ATOM 516 O GLU A 32 13.948 -6.320 8.943 1.00 0.00 O ATOM 517 CB GLU A 32 14.364 -5.578 6.316 1.00 0.00 C ATOM 518 CG GLU A 32 15.536 -5.152 7.194 1.00 0.00 C ATOM 519 CD GLU A 32 16.680 -4.559 6.395 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.152 -5.224 5.445 1.00 0.00 O ATOM 521 OE2 GLU A 32 17.105 -3.426 6.715 1.00 0.00 O ATOM 0 H GLU A 32 11.411 -4.011 6.715 1.00 0.00 H new ATOM 0 HA GLU A 32 12.308 -6.103 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.483 -6.631 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.404 -5.017 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.191 -4.420 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.898 -6.015 7.754 1.00 0.00 H new ATOM 528 N ARG A 33 12.033 -5.166 9.175 1.00 0.00 N ATOM 529 CA ARG A 33 11.962 -5.379 10.619 1.00 0.00 C ATOM 530 C ARG A 33 11.229 -6.683 10.950 1.00 0.00 C ATOM 531 O ARG A 33 11.336 -7.194 12.068 1.00 0.00 O ATOM 532 CB ARG A 33 11.277 -4.191 11.300 1.00 0.00 C ATOM 533 CG ARG A 33 9.763 -4.155 11.115 1.00 0.00 C ATOM 534 CD ARG A 33 9.039 -4.217 12.450 1.00 0.00 C ATOM 535 NE ARG A 33 9.511 -5.329 13.281 1.00 0.00 N ATOM 536 CZ ARG A 33 8.820 -5.839 14.298 1.00 0.00 C ATOM 537 NH1 ARG A 33 7.629 -5.341 14.612 1.00 0.00 N ATOM 538 NH2 ARG A 33 9.317 -6.845 15.002 1.00 0.00 N ATOM 0 H ARG A 33 11.264 -4.618 8.789 1.00 0.00 H new ATOM 0 HA ARG A 33 12.980 -5.461 10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.501 -4.218 12.366 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.702 -3.267 10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.481 -3.243 10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.451 -4.993 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.184 -3.278 12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.968 -4.323 12.277 1.00 0.00 H new ATOM 0 HE ARG A 33 10.422 -5.735 13.067 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.242 -4.566 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.102 -5.734 15.392 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.231 -7.231 14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.786 -7.234 15.781 1.00 0.00 H new ATOM 552 N GLY A 34 10.484 -7.213 9.979 1.00 0.00 N ATOM 553 CA GLY A 34 9.759 -8.456 10.200 1.00 0.00 C ATOM 554 C GLY A 34 8.263 -8.234 10.338 1.00 0.00 C ATOM 555 O GLY A 34 7.805 -7.114 10.560 1.00 0.00 O ATOM 0 H GLY A 34 10.370 -6.807 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.948 -9.137 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.137 -8.939 11.101 1.00 0.00 H new ATOM 559 N LYS A 35 7.494 -9.322 10.226 1.00 0.00 N ATOM 560 CA LYS A 35 6.042 -9.252 10.339 1.00 0.00 C ATOM 561 C LYS A 35 5.444 -8.375 9.249 1.00 0.00 C ATOM 562 O LYS A 35 4.924 -7.288 9.528 1.00 0.00 O ATOM 563 CB LYS A 35 5.649 -8.721 11.720 1.00 0.00 C ATOM 564 CG LYS A 35 4.227 -9.078 12.128 1.00 0.00 C ATOM 565 CD LYS A 35 4.192 -10.300 13.031 1.00 0.00 C ATOM 566 CE LYS A 35 4.753 -11.525 12.327 1.00 0.00 C ATOM 567 NZ LYS A 35 4.844 -12.698 13.230 1.00 0.00 N ATOM 0 H LYS A 35 7.858 -10.260 10.057 1.00 0.00 H new ATOM 0 HA LYS A 35 5.644 -10.259 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.341 -9.117 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.759 -7.637 11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.773 -8.232 12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.629 -9.267 11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.767 -10.103 13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.166 -10.495 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.121 -11.773 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.743 -11.294 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.232 -13.509 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.468 -12.472 14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.896 -12.936 13.586 1.00 0.00 H new ATOM 581 N CYS A 36 5.517 -8.842 8.011 1.00 0.00 N ATOM 582 CA CYS A 36 4.984 -8.103 6.876 1.00 0.00 C ATOM 583 C CYS A 36 3.751 -8.780 6.296 1.00 0.00 C ATOM 584 O CYS A 36 2.634 -8.311 6.473 1.00 0.00 O ATOM 585 CB CYS A 36 6.055 -7.953 5.794 1.00 0.00 C ATOM 586 SG CYS A 36 7.072 -6.448 5.954 1.00 0.00 S ATOM 0 H CYS A 36 5.943 -9.736 7.766 1.00 0.00 H new ATOM 0 HA CYS A 36 4.689 -7.116 7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.709 -8.825 5.822 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.571 -7.949 4.817 1.00 0.00 H new ATOM 591 N SER A 37 3.980 -9.884 5.588 1.00 0.00 N ATOM 592 CA SER A 37 2.887 -10.642 4.975 1.00 0.00 C ATOM 593 C SER A 37 1.736 -10.857 5.955 1.00 0.00 C ATOM 594 O SER A 37 0.607 -10.455 5.688 1.00 0.00 O ATOM 595 CB SER A 37 3.396 -11.984 4.454 1.00 0.00 C ATOM 596 OG SER A 37 2.323 -12.874 4.198 1.00 0.00 O ATOM 0 H SER A 37 4.908 -10.274 5.424 1.00 0.00 H new ATOM 0 HA SER A 37 2.507 -10.057 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.969 -11.829 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.074 -12.427 5.184 1.00 0.00 H new ATOM 0 HG SER A 37 2.676 -13.725 3.864 1.00 0.00 H new ATOM 602 N PRO A 38 2.015 -11.496 7.109 1.00 0.00 N ATOM 603 CA PRO A 38 0.974 -11.757 8.116 1.00 0.00 C ATOM 604 C PRO A 38 0.244 -10.489 8.526 1.00 0.00 C ATOM 605 O PRO A 38 -0.860 -10.539 8.896 1.00 0.00 O ATOM 606 CB PRO A 38 1.762 -12.330 9.311 1.00 0.00 C ATOM 607 CG PRO A 38 3.195 -12.054 9.024 1.00 0.00 C ATOM 608 CD PRO A 38 3.322 -12.016 7.529 1.00 0.00 C ATOM 0 HA PRO A 38 0.202 -12.427 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.453 -11.860 10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.584 -13.400 9.419 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.505 -11.107 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.834 -12.828 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.138 -11.368 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.517 -13.005 7.114 1.00 0.00 H new ATOM 616 N GLU A 39 0.923 -9.354 8.448 1.00 0.00 N ATOM 617 CA GLU A 39 0.329 -8.074 8.802 1.00 0.00 C ATOM 618 C GLU A 39 -0.551 -7.593 7.713 1.00 0.00 C ATOM 619 O GLU A 39 -1.754 -7.450 7.950 1.00 0.00 O ATOM 620 CB GLU A 39 1.417 -7.025 9.033 1.00 0.00 C ATOM 621 CG GLU A 39 1.868 -6.929 10.484 1.00 0.00 C ATOM 622 CD GLU A 39 1.498 -5.605 11.118 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.387 -5.099 10.847 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.321 -5.065 11.891 1.00 0.00 O ATOM 0 H GLU A 39 1.894 -9.294 8.140 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.250 -8.219 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.278 -7.262 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.047 -6.052 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.418 -7.741 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.948 -7.064 10.535 1.00 0.00 H new ATOM 631 N GLY A 40 -0.027 -7.341 6.525 1.00 0.00 N ATOM 632 CA GLY A 40 -0.843 -6.880 5.424 1.00 0.00 C ATOM 633 C GLY A 40 -1.303 -8.006 4.523 1.00 0.00 C ATOM 634 O GLY A 40 -1.528 -7.812 3.325 1.00 0.00 O ATOM 0 H GLY A 40 0.962 -7.449 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.714 -6.357 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.277 -6.158 4.835 1.00 0.00 H new ATOM 638 N LYS A 41 -1.425 -9.198 5.097 1.00 0.00 N ATOM 639 CA LYS A 41 -1.834 -10.380 4.354 1.00 0.00 C ATOM 640 C LYS A 41 -3.103 -10.130 3.535 1.00 0.00 C ATOM 641 O LYS A 41 -3.208 -10.587 2.403 1.00 0.00 O ATOM 642 CB LYS A 41 -2.062 -11.559 5.306 1.00 0.00 C ATOM 643 CG LYS A 41 -2.423 -12.856 4.602 1.00 0.00 C ATOM 644 CD LYS A 41 -3.391 -13.686 5.424 1.00 0.00 C ATOM 645 CE LYS A 41 -3.766 -14.974 4.710 1.00 0.00 C ATOM 646 NZ LYS A 41 -2.963 -16.131 5.202 1.00 0.00 N ATOM 0 H LYS A 41 -1.244 -9.370 6.086 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.027 -10.619 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.160 -11.716 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.859 -11.301 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.867 -12.633 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.517 -13.433 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.942 -13.921 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.291 -13.105 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.826 -15.177 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.612 -14.854 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.246 -16.992 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.953 -15.948 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.129 -16.261 6.220 1.00 0.00 H new ATOM 660 N GLU A 42 -4.060 -9.416 4.116 1.00 0.00 N ATOM 661 CA GLU A 42 -5.309 -9.127 3.419 1.00 0.00 C ATOM 662 C GLU A 42 -5.044 -8.318 2.156 1.00 0.00 C ATOM 663 O GLU A 42 -5.540 -8.657 1.080 1.00 0.00 O ATOM 664 CB GLU A 42 -6.273 -8.372 4.338 1.00 0.00 C ATOM 665 CG GLU A 42 -7.733 -8.673 4.064 1.00 0.00 C ATOM 666 CD GLU A 42 -8.323 -7.790 2.986 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.726 -7.724 1.885 1.00 0.00 O ATOM 668 OE2 GLU A 42 -9.367 -7.154 3.238 1.00 0.00 O ATOM 0 H GLU A 42 -3.998 -9.030 5.058 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.768 -10.074 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.047 -8.624 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.104 -7.301 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.834 -9.717 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.304 -8.546 4.984 1.00 0.00 H new ATOM 675 N LEU A 43 -4.263 -7.260 2.287 1.00 0.00 N ATOM 676 CA LEU A 43 -3.932 -6.418 1.148 1.00 0.00 C ATOM 677 C LEU A 43 -3.105 -7.203 0.143 1.00 0.00 C ATOM 678 O LEU A 43 -3.153 -6.923 -0.989 1.00 0.00 O ATOM 679 CB LEU A 43 -3.175 -5.171 1.598 1.00 0.00 C ATOM 680 CG LEU A 43 -3.735 -4.496 2.844 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.951 -4.914 4.079 1.00 0.00 C ATOM 682 CD2 LEU A 43 -3.719 -2.982 2.683 1.00 0.00 C ATOM 0 H LEU A 43 -3.846 -6.963 3.169 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.860 -6.100 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.136 -5.442 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.174 -4.450 0.781 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.769 -4.816 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.367 -4.421 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.018 -5.995 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.906 -4.626 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.122 -2.516 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.695 -2.643 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.329 -2.701 1.824 1.00 0.00 H new ATOM 694 N LYS A 44 -2.357 -8.194 0.614 1.00 0.00 N ATOM 695 CA LYS A 44 -1.537 -9.013 -0.196 1.00 0.00 C ATOM 696 C LYS A 44 -2.398 -10.022 -0.940 1.00 0.00 C ATOM 697 O LYS A 44 -2.237 -10.206 -2.141 1.00 0.00 O ATOM 698 CB LYS A 44 -0.448 -9.726 0.544 1.00 0.00 C ATOM 699 CG LYS A 44 0.198 -10.833 -0.166 1.00 0.00 C ATOM 700 CD LYS A 44 -0.366 -12.189 0.035 1.00 0.00 C ATOM 701 CE LYS A 44 0.311 -12.958 1.107 1.00 0.00 C ATOM 702 NZ LYS A 44 -0.530 -13.816 1.906 1.00 0.00 N ATOM 0 H LYS A 44 -2.320 -8.437 1.604 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.034 -8.340 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.317 -8.998 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.862 -10.112 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.171 -10.611 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.247 -10.857 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.426 -12.101 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.296 -12.745 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.089 -13.570 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.810 -12.253 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.031 -14.074 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.410 -13.316 2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.756 -14.678 1.370 1.00 0.00 H new ATOM 716 N GLU A 45 -3.311 -10.656 -0.235 1.00 0.00 N ATOM 717 CA GLU A 45 -4.198 -11.635 -0.838 1.00 0.00 C ATOM 718 C GLU A 45 -5.240 -10.921 -1.690 1.00 0.00 C ATOM 719 O GLU A 45 -5.777 -11.496 -2.633 1.00 0.00 O ATOM 720 CB GLU A 45 -4.884 -12.477 0.175 1.00 0.00 C ATOM 721 CG GLU A 45 -5.766 -11.675 1.105 1.00 0.00 C ATOM 722 CD GLU A 45 -6.203 -12.477 2.317 1.00 0.00 C ATOM 723 OE1 GLU A 45 -7.183 -13.238 2.203 1.00 0.00 O ATOM 724 OE2 GLU A 45 -5.555 -12.337 3.378 1.00 0.00 O ATOM 0 H GLU A 45 -3.461 -10.511 0.763 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.586 -12.294 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.488 -13.228 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.137 -13.012 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.229 -10.786 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.647 -11.332 0.562 1.00 0.00 H new ATOM 731 N HIS A 46 -5.510 -9.663 -1.353 1.00 0.00 N ATOM 732 CA HIS A 46 -6.485 -8.871 -2.073 1.00 0.00 C ATOM 733 C HIS A 46 -5.831 -8.123 -3.235 1.00 0.00 C ATOM 734 O HIS A 46 -6.448 -7.952 -4.286 1.00 0.00 O ATOM 735 CB HIS A 46 -7.173 -7.883 -1.145 1.00 0.00 C ATOM 736 CG HIS A 46 -8.511 -7.422 -1.634 1.00 0.00 C ATOM 737 ND1 HIS A 46 -9.753 -7.924 -1.425 1.00 0.00 N flip ATOM 738 CD2 HIS A 46 -8.675 -6.322 -2.446 1.00 0.00 C flip ATOM 739 CE1 HIS A 46 -10.634 -7.130 -2.106 1.00 0.00 C flip ATOM 740 NE2 HIS A 46 -9.960 -6.169 -2.716 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.060 -9.173 -0.579 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.233 -9.554 -2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.294 -8.344 -0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.527 -7.015 -1.011 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -9.987 -8.743 -0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.880 -5.685 -2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.705 -7.265 -2.140 1.00 0.00 H new ATOM 749 N LEU A 47 -4.590 -7.667 -3.048 1.00 0.00 N ATOM 750 CA LEU A 47 -3.882 -6.926 -4.094 1.00 0.00 C ATOM 751 C LEU A 47 -2.590 -6.313 -3.562 1.00 0.00 C ATOM 752 O LEU A 47 -2.587 -5.201 -3.052 1.00 0.00 O ATOM 753 CB LEU A 47 -4.774 -5.805 -4.652 1.00 0.00 C ATOM 754 CG LEU A 47 -4.083 -4.792 -5.570 1.00 0.00 C ATOM 755 CD1 LEU A 47 -4.000 -5.326 -6.987 1.00 0.00 C ATOM 756 CD2 LEU A 47 -4.821 -3.463 -5.538 1.00 0.00 C ATOM 0 H LEU A 47 -4.058 -7.797 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.637 -7.633 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.597 -6.262 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.213 -5.265 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.067 -4.631 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.506 -4.592 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.429 -6.255 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.005 -5.516 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.319 -2.752 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.847 -3.608 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.827 -3.074 -4.520 1.00 0.00 H new ATOM 768 N GLN A 48 -1.488 -7.053 -3.695 1.00 0.00 N ATOM 769 CA GLN A 48 -0.199 -6.552 -3.246 1.00 0.00 C ATOM 770 C GLN A 48 0.257 -5.510 -4.226 1.00 0.00 C ATOM 771 O GLN A 48 1.324 -5.671 -4.806 1.00 0.00 O ATOM 772 CB GLN A 48 0.733 -7.692 -3.092 1.00 0.00 C ATOM 773 CG GLN A 48 2.067 -7.257 -2.516 1.00 0.00 C ATOM 774 CD GLN A 48 2.165 -7.498 -1.034 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.342 -6.566 -0.254 1.00 0.00 O ATOM 776 NE2 GLN A 48 2.034 -8.754 -0.637 1.00 0.00 N ATOM 0 H GLN A 48 -1.466 -7.987 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.252 -6.073 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.284 -8.443 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.893 -8.164 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.869 -7.795 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.217 -6.197 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.888 -9.494 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.079 -8.982 0.356 1.00 0.00 H new ATOM 785 N ASP A 49 -0.445 -4.452 -4.417 1.00 0.00 N ATOM 786 CA ASP A 49 -0.083 -3.379 -5.334 1.00 0.00 C ATOM 787 C ASP A 49 -0.160 -3.851 -6.782 1.00 0.00 C ATOM 788 O ASP A 49 0.483 -3.350 -7.643 1.00 0.00 O ATOM 789 CB ASP A 49 1.254 -2.874 -5.028 1.00 0.00 C ATOM 790 CG ASP A 49 1.493 -1.471 -5.545 1.00 0.00 C ATOM 791 OD1 ASP A 49 1.515 -1.285 -6.781 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.666 -0.550 -4.716 1.00 0.00 O ATOM 0 H ASP A 49 -1.325 -4.283 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.798 -2.566 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.402 -2.887 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.997 -3.545 -5.460 1.00 0.00 H new ATOM 797 N ALA A 50 -1.037 -4.811 -7.057 1.00 0.00 N ATOM 798 CA ALA A 50 -1.206 -5.333 -8.413 1.00 0.00 C ATOM 799 C ALA A 50 -0.027 -6.192 -8.826 1.00 0.00 C ATOM 800 O ALA A 50 0.074 -6.493 -10.008 1.00 0.00 O ATOM 801 CB ALA A 50 -1.358 -4.189 -9.388 1.00 0.00 C ATOM 0 H ALA A 50 -1.643 -5.245 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.103 -5.952 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.483 -4.584 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.232 -3.596 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.468 -3.560 -9.353 1.00 0.00 H new ATOM 807 N ILE A 51 0.720 -6.586 -7.847 1.00 0.00 N ATOM 808 CA ILE A 51 1.917 -7.413 -8.104 1.00 0.00 C ATOM 809 C ILE A 51 1.795 -8.195 -9.408 1.00 0.00 C ATOM 810 O ILE A 51 0.748 -8.774 -9.689 1.00 0.00 O ATOM 811 CB ILE A 51 2.178 -8.412 -6.955 1.00 0.00 C ATOM 812 CG1 ILE A 51 0.865 -8.929 -6.368 1.00 0.00 C ATOM 813 CG2 ILE A 51 3.027 -7.758 -5.873 1.00 0.00 C ATOM 814 CD1 ILE A 51 0.119 -9.852 -7.296 1.00 0.00 C ATOM 0 H ILE A 51 0.550 -6.367 -6.865 1.00 0.00 H new ATOM 0 HA ILE A 51 2.753 -6.718 -8.177 1.00 0.00 H new ATOM 0 HB ILE A 51 2.722 -9.265 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.074 -9.454 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.227 -8.081 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.204 -8.472 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.981 -7.446 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.504 -6.887 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.803 -10.182 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.120 -9.324 -8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.740 -10.719 -7.524 1.00 0.00 H new ATOM 826 N GLU A 52 2.859 -8.190 -10.209 1.00 0.00 N ATOM 827 CA GLU A 52 2.841 -8.877 -11.497 1.00 0.00 C ATOM 828 C GLU A 52 1.560 -8.526 -12.245 1.00 0.00 C ATOM 829 O GLU A 52 0.990 -7.466 -12.013 1.00 0.00 O ATOM 830 CB GLU A 52 2.971 -10.396 -11.294 1.00 0.00 C ATOM 831 CG GLU A 52 1.732 -11.048 -10.685 1.00 0.00 C ATOM 832 CD GLU A 52 1.739 -12.553 -10.832 1.00 0.00 C ATOM 833 OE1 GLU A 52 2.363 -13.235 -9.995 1.00 0.00 O ATOM 834 OE2 GLU A 52 1.119 -13.054 -11.794 1.00 0.00 O ATOM 0 H GLU A 52 3.738 -7.721 -9.990 1.00 0.00 H new ATOM 0 HA GLU A 52 3.691 -8.549 -12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.180 -10.864 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.828 -10.594 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.672 -10.790 -9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.840 -10.643 -11.163 1.00 0.00 H new ATOM 841 N ASN A 53 1.095 -9.403 -13.127 1.00 0.00 N ATOM 842 CA ASN A 53 -0.059 -9.133 -13.861 1.00 0.00 C ATOM 843 C ASN A 53 -1.265 -9.304 -12.945 1.00 0.00 C ATOM 844 O ASN A 53 -2.082 -10.207 -13.143 1.00 0.00 O ATOM 845 CB ASN A 53 -0.171 -10.051 -15.077 1.00 0.00 C ATOM 846 CG ASN A 53 -0.049 -9.288 -16.381 1.00 0.00 C ATOM 847 OD1 ASN A 53 -0.973 -9.262 -17.184 1.00 0.00 O ATOM 848 ND2 ASN A 53 1.035 -8.680 -16.607 1.00 0.00 N ATOM 0 H ASN A 53 1.529 -10.304 -13.327 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.017 -8.110 -14.235 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.608 -10.812 -15.029 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.128 -10.572 -15.050 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.154 -8.154 -17.473 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.792 -8.715 -15.924 1.00 0.00 H new ATOM 855 N GLY A 54 -1.370 -8.434 -11.945 1.00 0.00 N ATOM 856 CA GLY A 54 -2.478 -8.509 -11.014 1.00 0.00 C ATOM 857 C GLY A 54 -3.817 -8.350 -11.702 1.00 0.00 C ATOM 858 O GLY A 54 -4.429 -9.336 -12.111 1.00 0.00 O ATOM 0 H GLY A 54 -0.708 -7.680 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.450 -9.467 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.367 -7.733 -10.257 1.00 0.00 H new ATOM 862 N CYS A 55 -4.258 -7.099 -11.848 1.00 0.00 N ATOM 863 CA CYS A 55 -5.523 -6.812 -12.506 1.00 0.00 C ATOM 864 C CYS A 55 -5.836 -5.321 -12.470 1.00 0.00 C ATOM 865 O CYS A 55 -6.631 -4.858 -11.658 1.00 0.00 O ATOM 866 CB CYS A 55 -6.687 -7.614 -11.898 1.00 0.00 C ATOM 867 SG CYS A 55 -7.054 -7.230 -10.153 1.00 0.00 S ATOM 0 H CYS A 55 -3.756 -6.274 -11.519 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.413 -7.122 -13.545 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.583 -7.433 -12.491 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.460 -8.677 -11.981 1.00 0.00 H new ATOM 872 N LYS A 56 -5.215 -4.588 -13.368 1.00 0.00 N ATOM 873 CA LYS A 56 -5.443 -3.139 -13.454 1.00 0.00 C ATOM 874 C LYS A 56 -6.823 -2.856 -14.052 1.00 0.00 C ATOM 875 O LYS A 56 -7.248 -1.701 -14.112 1.00 0.00 O ATOM 876 CB LYS A 56 -4.358 -2.454 -14.291 1.00 0.00 C ATOM 877 CG LYS A 56 -3.591 -3.373 -15.232 1.00 0.00 C ATOM 878 CD LYS A 56 -4.508 -3.970 -16.284 1.00 0.00 C ATOM 879 CE LYS A 56 -3.809 -4.053 -17.636 1.00 0.00 C ATOM 880 NZ LYS A 56 -3.369 -2.718 -18.120 1.00 0.00 N ATOM 0 H LYS A 56 -4.551 -4.956 -14.049 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.399 -2.732 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.821 -1.662 -14.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.648 -1.976 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.791 -2.815 -15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.120 -4.173 -14.660 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.824 -4.966 -15.973 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.409 -3.363 -16.373 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.945 -4.713 -17.557 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.484 -4.499 -18.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.395 -2.700 -19.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.005 -1.986 -17.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.399 -2.533 -17.795 1.00 0.00 H new ATOM 894 N LYS A 57 -7.519 -3.908 -14.478 1.00 0.00 N ATOM 895 CA LYS A 57 -8.846 -3.765 -15.069 1.00 0.00 C ATOM 896 C LYS A 57 -9.923 -4.295 -14.131 1.00 0.00 C ATOM 897 O LYS A 57 -11.049 -3.799 -14.123 1.00 0.00 O ATOM 898 CB LYS A 57 -8.908 -4.502 -16.401 1.00 0.00 C ATOM 899 CG LYS A 57 -10.096 -4.114 -17.260 1.00 0.00 C ATOM 900 CD LYS A 57 -9.860 -4.432 -18.725 1.00 0.00 C ATOM 901 CE LYS A 57 -8.680 -3.652 -19.278 1.00 0.00 C ATOM 902 NZ LYS A 57 -8.805 -3.427 -20.748 1.00 0.00 N ATOM 0 H LYS A 57 -7.184 -4.870 -14.424 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.030 -2.704 -15.236 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.991 -4.307 -16.957 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.944 -5.575 -16.211 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.984 -4.642 -16.912 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.294 -3.048 -17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.679 -5.500 -18.842 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.756 -4.195 -19.299 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.608 -2.691 -18.768 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.757 -4.193 -19.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.981 -2.892 -21.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.848 -4.344 -21.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.673 -2.889 -20.944 1.00 0.00 H new ATOM 916 N CYS A 58 -9.580 -5.310 -13.334 1.00 0.00 N ATOM 917 CA CYS A 58 -10.533 -5.910 -12.394 1.00 0.00 C ATOM 918 C CYS A 58 -11.269 -4.828 -11.612 1.00 0.00 C ATOM 919 O CYS A 58 -10.879 -3.660 -11.647 1.00 0.00 O ATOM 920 CB CYS A 58 -9.822 -6.861 -11.430 1.00 0.00 C ATOM 921 SG CYS A 58 -8.710 -6.043 -10.233 1.00 0.00 S ATOM 0 H CYS A 58 -8.652 -5.733 -13.320 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.259 -6.481 -12.972 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.573 -7.427 -10.879 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.243 -7.580 -12.010 1.00 0.00 H new ATOM 926 N THR A 59 -12.327 -5.225 -10.913 1.00 0.00 N ATOM 927 CA THR A 59 -13.131 -4.288 -10.113 1.00 0.00 C ATOM 928 C THR A 59 -12.275 -3.188 -9.513 1.00 0.00 C ATOM 929 O THR A 59 -11.329 -3.454 -8.771 1.00 0.00 O ATOM 930 CB THR A 59 -13.864 -5.046 -9.005 1.00 0.00 C ATOM 931 OG1 THR A 59 -14.736 -4.179 -8.302 1.00 0.00 O ATOM 932 CG2 THR A 59 -12.931 -5.685 -7.990 1.00 0.00 C ATOM 0 H THR A 59 -12.654 -6.191 -10.880 1.00 0.00 H new ATOM 0 HA THR A 59 -13.858 -3.819 -10.776 1.00 0.00 H new ATOM 0 HB THR A 59 -14.415 -5.838 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.541 -4.671 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.518 -6.206 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.277 -6.396 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.328 -4.912 -7.513 1.00 0.00 H new ATOM 940 N GLU A 60 -12.600 -1.940 -9.855 1.00 0.00 N ATOM 941 CA GLU A 60 -11.850 -0.790 -9.364 1.00 0.00 C ATOM 942 C GLU A 60 -11.650 -0.856 -7.847 1.00 0.00 C ATOM 943 O GLU A 60 -10.767 -1.568 -7.375 1.00 0.00 O ATOM 944 CB GLU A 60 -12.561 0.438 -9.752 1.00 0.00 C ATOM 945 CG GLU A 60 -12.489 0.753 -11.236 1.00 0.00 C ATOM 946 CD GLU A 60 -13.795 1.299 -11.781 1.00 0.00 C ATOM 947 OE1 GLU A 60 -14.691 0.489 -12.105 1.00 0.00 O ATOM 948 OE2 GLU A 60 -13.920 2.531 -11.887 1.00 0.00 O ATOM 0 H GLU A 60 -13.378 -1.703 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.856 -0.793 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.608 0.347 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.147 1.277 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.695 1.479 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.221 -0.151 -11.783 1.00 0.00 H new ATOM 955 N ASN A 61 -12.467 -0.122 -7.091 1.00 0.00 N ATOM 956 CA ASN A 61 -12.383 -0.090 -5.623 1.00 0.00 C ATOM 957 C ASN A 61 -10.959 -0.268 -5.109 1.00 0.00 C ATOM 958 O ASN A 61 -10.272 0.633 -4.819 1.00 0.00 O ATOM 959 CB ASN A 61 -13.308 -1.147 -5.010 1.00 0.00 C ATOM 960 CG ASN A 61 -13.483 -2.370 -5.889 1.00 0.00 C ATOM 961 OD1 ASN A 61 -12.510 -2.984 -6.313 1.00 0.00 O ATOM 962 ND2 ASN A 61 -14.734 -2.717 -6.166 1.00 0.00 N ATOM 0 H ASN A 61 -13.206 0.468 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.710 0.902 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.907 -1.456 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.284 -0.701 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.920 -3.528 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.510 -2.173 -5.788 1.00 0.00 H new ATOM 969 N GLN A 62 -10.512 -1.523 -4.990 1.00 0.00 N ATOM 970 CA GLN A 62 -9.163 -1.810 -4.501 1.00 0.00 C ATOM 971 C GLN A 62 -8.154 -0.902 -5.191 1.00 0.00 C ATOM 972 O GLN A 62 -7.225 -0.384 -4.566 1.00 0.00 O ATOM 973 CB GLN A 62 -8.791 -3.276 -4.721 1.00 0.00 C ATOM 974 CG GLN A 62 -9.265 -3.845 -6.056 1.00 0.00 C ATOM 975 CD GLN A 62 -8.123 -4.227 -6.971 1.00 0.00 C ATOM 976 OE1 GLN A 62 -7.150 -4.853 -6.544 1.00 0.00 O ATOM 977 NE2 GLN A 62 -8.234 -3.846 -8.242 1.00 0.00 N ATOM 0 H GLN A 62 -11.062 -2.350 -5.224 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.145 -1.618 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.708 -3.378 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.214 -3.873 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.885 -4.722 -5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.894 -3.109 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.058 -3.330 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.495 -4.071 -8.908 1.00 0.00 H new ATOM 986 N GLU A 63 -8.368 -0.688 -6.479 1.00 0.00 N ATOM 987 CA GLU A 63 -7.506 0.114 -7.263 1.00 0.00 C ATOM 988 C GLU A 63 -7.618 1.534 -6.776 1.00 0.00 C ATOM 989 O GLU A 63 -6.622 2.241 -6.663 1.00 0.00 O ATOM 990 CB GLU A 63 -7.889 0.048 -8.731 1.00 0.00 C ATOM 991 CG GLU A 63 -6.731 0.273 -9.687 1.00 0.00 C ATOM 992 CD GLU A 63 -6.774 1.644 -10.299 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.507 1.828 -11.294 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.079 2.539 -9.785 1.00 0.00 O ATOM 0 H GLU A 63 -9.157 -1.079 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.483 -0.250 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.331 -0.927 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.659 0.794 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.789 0.142 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.759 -0.479 -10.476 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.846 1.957 -6.475 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.081 3.302 -5.985 1.00 0.00 C ATOM 1003 C LYS A 64 -8.543 3.451 -4.573 1.00 0.00 C ATOM 1004 O LYS A 64 -7.670 4.286 -4.320 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.568 3.637 -6.024 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.897 5.034 -5.520 1.00 0.00 C ATOM 1007 CD LYS A 64 -11.142 6.000 -6.665 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.340 5.575 -7.504 1.00 0.00 C ATOM 1009 NZ LYS A 64 -12.876 6.702 -8.313 1.00 0.00 N ATOM 0 H LYS A 64 -9.686 1.385 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.555 4.001 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.927 3.537 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.111 2.907 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.781 4.993 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.077 5.401 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.310 7.001 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.254 6.052 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.049 4.759 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.124 5.192 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.690 6.373 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.177 7.471 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.136 7.051 -8.955 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.048 2.631 -3.660 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.585 2.682 -2.288 1.00 0.00 C ATOM 1025 C GLY A 65 -7.085 2.526 -2.196 1.00 0.00 C ATOM 1026 O GLY A 65 -6.451 3.032 -1.273 1.00 0.00 O ATOM 0 H GLY A 65 -9.768 1.933 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.880 3.631 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.069 1.893 -1.712 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.509 1.819 -3.170 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.070 1.605 -3.196 1.00 0.00 C ATOM 1032 C ALA A 66 -4.341 2.877 -3.582 1.00 0.00 C ATOM 1033 O ALA A 66 -3.596 3.432 -2.776 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.716 0.478 -4.150 1.00 0.00 C ATOM 0 H ALA A 66 -7.017 1.390 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.751 1.322 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.636 0.332 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.204 -0.441 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.054 0.732 -5.155 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.559 3.359 -4.808 1.00 0.00 N ATOM 1041 CA TYR A 67 -3.896 4.584 -5.245 1.00 0.00 C ATOM 1042 C TYR A 67 -4.187 5.688 -4.241 1.00 0.00 C ATOM 1043 O TYR A 67 -3.285 6.422 -3.832 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.345 4.995 -6.644 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.315 5.829 -7.386 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.795 6.994 -6.817 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -2.869 5.461 -8.646 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.867 7.764 -7.491 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -1.938 6.227 -9.326 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.439 7.372 -8.745 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.507 8.127 -9.417 1.00 0.00 O ATOM 0 H TYR A 67 -5.175 2.930 -5.499 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.822 4.405 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.564 4.099 -7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.274 5.561 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.124 7.298 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.254 4.562 -9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.479 8.666 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.604 5.928 -10.309 1.00 0.00 H new ATOM 0 HH TYR A 67 0.239 7.555 -9.694 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.438 5.782 -3.811 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.820 6.772 -2.823 1.00 0.00 C ATOM 1063 C ARG A 68 -4.893 6.662 -1.622 1.00 0.00 C ATOM 1064 O ARG A 68 -4.483 7.670 -1.034 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.271 6.570 -2.381 1.00 0.00 C ATOM 1066 CG ARG A 68 -7.949 7.843 -1.900 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.836 7.586 -0.692 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.838 8.633 -0.511 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.570 9.836 -0.032 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -8.334 10.145 0.286 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -10.543 10.733 0.042 1.00 0.00 N ATOM 0 H ARG A 68 -6.201 5.185 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.736 7.764 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.841 6.159 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.298 5.831 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.192 8.584 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.547 8.264 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.335 6.624 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.218 7.519 0.203 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.802 8.424 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.589 9.459 0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.119 11.071 0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.484 10.491 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.351 11.665 0.409 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.536 5.425 -1.280 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.636 5.182 -0.181 1.00 0.00 C ATOM 1087 C VAL A 69 -2.225 5.603 -0.536 1.00 0.00 C ATOM 1088 O VAL A 69 -1.452 6.025 0.251 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.649 3.688 0.174 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.279 3.225 0.652 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.698 3.458 1.243 1.00 0.00 C ATOM 0 H VAL A 69 -4.862 4.583 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.969 5.770 0.674 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.892 3.105 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.318 2.163 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.544 3.389 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.993 3.791 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.722 2.401 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.453 4.048 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.675 3.759 0.865 1.00 0.00 H new ATOM 1101 N ILE A 70 -1.883 5.498 -1.812 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.551 5.885 -2.253 1.00 0.00 C ATOM 1103 C ILE A 70 -0.406 7.400 -2.252 1.00 0.00 C ATOM 1104 O ILE A 70 0.566 7.918 -1.901 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.190 5.302 -3.640 1.00 0.00 C ATOM 1106 CG1 ILE A 70 1.249 5.206 -3.767 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.768 6.128 -4.796 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.764 3.784 -3.857 1.00 0.00 C ATOM 0 H ILE A 70 -2.498 5.154 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 70 0.155 5.460 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.638 4.310 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.563 5.753 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.713 5.697 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.484 5.674 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.855 6.154 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.377 7.144 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.850 3.796 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.483 3.238 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.330 3.294 -4.729 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.466 8.096 -2.643 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.441 9.552 -2.678 1.00 0.00 C ATOM 1122 C GLU A 71 -1.592 10.138 -1.283 1.00 0.00 C ATOM 1123 O GLU A 71 -1.103 11.230 -1.007 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.554 10.087 -3.579 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.923 9.503 -3.271 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.050 10.298 -3.898 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.511 11.273 -3.266 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.471 9.950 -5.021 1.00 0.00 O ATOM 0 H GLU A 71 -2.349 7.679 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.474 9.854 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.601 11.171 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.303 9.873 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.965 8.475 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.065 9.469 -2.191 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.281 9.419 -0.414 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.497 9.893 0.863 1.00 0.00 C ATOM 1137 C HIS A 72 -1.274 9.626 1.726 1.00 0.00 C ATOM 1138 O HIS A 72 -0.860 10.480 2.512 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.740 9.247 1.470 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.042 9.709 2.858 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.265 9.757 3.960 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -5.270 10.203 3.239 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -4.023 10.270 4.984 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -5.229 10.536 4.522 1.00 0.00 N flip ATOM 0 H HIS A 72 -2.686 8.504 -0.610 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.665 10.969 0.818 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.597 9.460 0.831 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.609 8.165 1.478 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.131 10.303 2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.687 10.429 5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.000 10.931 5.060 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.688 8.449 1.572 1.00 0.00 N ATOM 1154 CA LEU A 73 0.413 8.099 2.343 1.00 0.00 C ATOM 1155 C LEU A 73 1.637 8.790 1.761 1.00 0.00 C ATOM 1156 O LEU A 73 2.511 9.241 2.507 1.00 0.00 O ATOM 1157 CB LEU A 73 0.621 6.583 2.356 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.088 5.832 3.436 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.563 6.175 3.366 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.056 4.332 3.290 1.00 0.00 C ATOM 0 H LEU A 73 -0.987 7.739 0.904 1.00 0.00 H new ATOM 0 HA LEU A 73 0.249 8.414 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.300 6.184 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.689 6.384 2.444 1.00 0.00 H new ATOM 0 HG LEU A 73 0.356 6.120 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.099 5.636 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.694 7.248 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.957 5.888 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.478 3.835 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.362 4.018 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.111 4.062 3.331 1.00 0.00 H new ATOM 1172 N ILE A 74 1.688 8.905 0.433 1.00 0.00 N ATOM 1173 CA ILE A 74 2.803 9.572 -0.151 1.00 0.00 C ATOM 1174 C ILE A 74 3.035 10.926 0.425 1.00 0.00 C ATOM 1175 O ILE A 74 4.177 11.316 0.678 1.00 0.00 O ATOM 1176 CB ILE A 74 2.540 9.751 -1.663 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.031 8.529 -2.447 1.00 0.00 C ATOM 1178 CG2 ILE A 74 3.205 11.013 -2.205 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.442 8.422 -3.840 1.00 0.00 C ATOM 0 H ILE A 74 0.988 8.553 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 74 3.681 8.959 0.049 1.00 0.00 H new ATOM 0 HB ILE A 74 1.462 9.851 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.118 8.570 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.785 7.626 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.998 11.104 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.811 11.885 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.282 10.952 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.835 7.534 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.357 8.349 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.710 9.307 -4.417 1.00 0.00 H new ATOM 1191 N LYS A 75 1.947 11.648 0.697 1.00 0.00 N ATOM 1192 CA LYS A 75 2.026 12.949 1.322 1.00 0.00 C ATOM 1193 C LYS A 75 2.110 12.798 2.836 1.00 0.00 C ATOM 1194 O LYS A 75 2.721 13.621 3.515 1.00 0.00 O ATOM 1195 CB LYS A 75 0.805 13.766 0.930 1.00 0.00 C ATOM 1196 CG LYS A 75 0.714 14.052 -0.476 1.00 0.00 C ATOM 1197 CD LYS A 75 1.597 15.225 -0.872 1.00 0.00 C ATOM 1198 CE LYS A 75 0.928 16.083 -1.941 1.00 0.00 C ATOM 1199 NZ LYS A 75 -0.240 16.727 -1.444 1.00 0.00 N ATOM 0 H LYS A 75 0.997 11.341 0.488 1.00 0.00 H new ATOM 0 HA LYS A 75 2.924 13.466 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.092 13.229 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.819 14.707 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.005 13.170 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.321 14.272 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.811 15.835 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.552 14.855 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.633 16.833 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.664 15.460 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.378 17.629 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.067 16.116 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.130 16.907 -0.426 1.00 0.00 H new ATOM 1213 N ASN A 76 1.477 11.747 3.362 1.00 0.00 N ATOM 1214 CA ASN A 76 1.496 11.485 4.791 1.00 0.00 C ATOM 1215 C ASN A 76 2.916 11.538 5.326 1.00 0.00 C ATOM 1216 O ASN A 76 3.181 12.129 6.369 1.00 0.00 O ATOM 1217 CB ASN A 76 0.864 10.126 5.089 1.00 0.00 C ATOM 1218 CG ASN A 76 0.520 9.956 6.553 1.00 0.00 C ATOM 1219 OD1 ASN A 76 1.410 9.789 7.398 1.00 0.00 O ATOM 1220 ND2 ASN A 76 -0.681 9.989 6.868 1.00 0.00 N ATOM 0 H ASN A 76 0.947 11.068 2.815 1.00 0.00 H new ATOM 0 HA ASN A 76 0.913 12.258 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.040 10.010 4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.550 9.335 4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.956 9.877 7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.393 10.128 6.151 1.00 0.00 H new ATOM 1227 N GLU A 77 3.825 10.912 4.593 1.00 0.00 N ATOM 1228 CA GLU A 77 5.233 10.887 4.976 1.00 0.00 C ATOM 1229 C GLU A 77 6.080 10.165 3.940 1.00 0.00 C ATOM 1230 O GLU A 77 7.099 9.563 4.265 1.00 0.00 O ATOM 1231 CB GLU A 77 5.410 10.241 6.351 1.00 0.00 C ATOM 1232 CG GLU A 77 5.501 11.241 7.491 1.00 0.00 C ATOM 1233 CD GLU A 77 6.879 11.267 8.131 1.00 0.00 C ATOM 1234 OE1 GLU A 77 7.342 10.203 8.591 1.00 0.00 O ATOM 1235 OE2 GLU A 77 7.492 12.354 8.171 1.00 0.00 O ATOM 0 H GLU A 77 3.615 10.413 3.728 1.00 0.00 H new ATOM 0 HA GLU A 77 5.576 11.920 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.573 9.568 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.313 9.631 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.258 12.236 7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.757 10.994 8.248 1.00 0.00 H new ATOM 1242 N ILE A 78 5.647 10.265 2.685 1.00 0.00 N ATOM 1243 CA ILE A 78 6.338 9.647 1.552 1.00 0.00 C ATOM 1244 C ILE A 78 7.128 8.408 1.945 1.00 0.00 C ATOM 1245 O ILE A 78 8.202 8.140 1.407 1.00 0.00 O ATOM 1246 CB ILE A 78 7.247 10.670 0.846 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.308 10.381 -0.576 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.640 10.707 1.461 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.557 8.928 -0.923 1.00 0.00 C ATOM 0 H ILE A 78 4.805 10.778 2.423 1.00 0.00 H new ATOM 0 HA ILE A 78 5.566 9.318 0.857 1.00 0.00 H new ATOM 0 HB ILE A 78 6.814 11.661 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.370 10.693 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.098 10.986 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.251 11.441 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.566 10.983 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.102 9.723 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.586 8.812 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.510 8.611 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.755 8.314 -0.514 1.00 0.00 H new ATOM 1261 N GLU A 79 6.573 7.640 2.859 1.00 0.00 N ATOM 1262 CA GLU A 79 7.214 6.427 3.280 1.00 0.00 C ATOM 1263 C GLU A 79 6.791 5.290 2.356 1.00 0.00 C ATOM 1264 O GLU A 79 7.220 4.150 2.496 1.00 0.00 O ATOM 1265 CB GLU A 79 6.875 6.105 4.733 1.00 0.00 C ATOM 1266 CG GLU A 79 5.410 5.768 4.954 1.00 0.00 C ATOM 1267 CD GLU A 79 5.058 5.641 6.425 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.977 5.398 7.230 1.00 0.00 O ATOM 1269 OE2 GLU A 79 3.868 5.793 6.767 1.00 0.00 O ATOM 0 H GLU A 79 5.684 7.838 3.318 1.00 0.00 H new ATOM 0 HA GLU A 79 8.295 6.554 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.486 5.265 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.142 6.958 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.790 6.542 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.175 4.833 4.445 1.00 0.00 H new ATOM 1276 N ILE A 80 5.927 5.637 1.395 1.00 0.00 N ATOM 1277 CA ILE A 80 5.417 4.684 0.420 1.00 0.00 C ATOM 1278 C ILE A 80 6.540 4.044 -0.290 1.00 0.00 C ATOM 1279 O ILE A 80 6.690 2.823 -0.287 1.00 0.00 O ATOM 1280 CB ILE A 80 4.446 5.362 -0.487 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.249 5.895 0.190 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.980 4.370 -1.545 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.508 4.792 0.899 1.00 0.00 C ATOM 0 H ILE A 80 5.567 6.584 1.277 1.00 0.00 H new ATOM 0 HA ILE A 80 4.870 3.883 0.918 1.00 0.00 H new ATOM 0 HB ILE A 80 4.979 6.212 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.541 6.663 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.593 6.371 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.270 4.857 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.838 4.021 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.499 3.521 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.628 5.204 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.199 4.038 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.161 4.335 1.643 1.00 0.00 H new ATOM 1295 N TRP A 81 7.309 4.869 -0.969 1.00 0.00 N ATOM 1296 CA TRP A 81 8.409 4.368 -1.783 1.00 0.00 C ATOM 1297 C TRP A 81 9.234 3.365 -0.990 1.00 0.00 C ATOM 1298 O TRP A 81 9.680 2.340 -1.519 1.00 0.00 O ATOM 1299 CB TRP A 81 9.258 5.533 -2.289 1.00 0.00 C ATOM 1300 CG TRP A 81 8.471 6.494 -3.135 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.910 7.694 -3.612 1.00 0.00 C ATOM 1302 CD2 TRP A 81 7.123 6.342 -3.616 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.921 8.302 -4.348 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.816 7.489 -4.365 1.00 0.00 C ATOM 1305 CE3 TRP A 81 6.135 5.340 -3.485 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.578 7.673 -4.980 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.913 5.535 -4.103 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.646 6.689 -4.841 1.00 0.00 C ATOM 0 H TRP A 81 7.199 5.883 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 81 8.010 3.848 -2.654 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.682 6.066 -1.438 1.00 0.00 H new ATOM 0 HB3 TRP A 81 10.094 5.144 -2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.893 8.107 -3.437 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.996 9.210 -4.807 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.330 4.443 -2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.365 8.567 -5.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.149 4.777 -4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.681 6.804 -5.312 1.00 0.00 H new ATOM 1319 N ARG A 82 9.395 3.616 0.207 1.00 0.00 N ATOM 1320 CA ARG A 82 10.120 2.670 1.033 1.00 0.00 C ATOM 1321 C ARG A 82 9.351 1.349 1.060 1.00 0.00 C ATOM 1322 O ARG A 82 9.917 0.281 0.884 1.00 0.00 O ATOM 1323 CB ARG A 82 10.292 3.218 2.450 1.00 0.00 C ATOM 1324 CG ARG A 82 11.570 4.024 2.636 1.00 0.00 C ATOM 1325 CD ARG A 82 12.134 3.854 4.041 1.00 0.00 C ATOM 1326 NE ARG A 82 11.240 4.411 5.056 1.00 0.00 N ATOM 1327 CZ ARG A 82 11.572 4.551 6.340 1.00 0.00 C ATOM 1328 NH1 ARG A 82 12.782 4.182 6.758 1.00 0.00 N ATOM 1329 NH2 ARG A 82 10.704 5.066 7.194 1.00 0.00 N ATOM 0 H ARG A 82 9.056 4.451 0.685 1.00 0.00 H new ATOM 0 HA ARG A 82 11.113 2.506 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.436 3.847 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.289 2.387 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.312 3.707 1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.368 5.079 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.297 2.795 4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.106 4.344 4.104 1.00 0.00 H new ATOM 0 HE ARG A 82 10.309 4.710 4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.453 3.793 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.037 4.289 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.781 5.356 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.957 5.173 8.176 1.00 0.00 H new ATOM 1343 N GLU A 83 8.040 1.467 1.258 1.00 0.00 N ATOM 1344 CA GLU A 83 7.158 0.317 1.323 1.00 0.00 C ATOM 1345 C GLU A 83 7.217 -0.432 0.068 1.00 0.00 C ATOM 1346 O GLU A 83 7.233 -1.661 0.112 1.00 0.00 O ATOM 1347 CB GLU A 83 5.716 0.773 1.574 1.00 0.00 C ATOM 1348 CG GLU A 83 4.981 0.019 2.609 1.00 0.00 C ATOM 1349 CD GLU A 83 3.762 0.657 3.171 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.448 1.766 2.693 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.118 0.111 4.083 1.00 0.00 O ATOM 0 H GLU A 83 7.566 2.362 1.377 1.00 0.00 H new ATOM 0 HA GLU A 83 7.482 -0.324 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.731 1.825 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.163 0.703 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.695 -0.945 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.667 -0.184 3.431 1.00 0.00 H new ATOM 1358 N LEU A 84 7.245 0.176 -0.987 1.00 0.00 N ATOM 1359 CA LEU A 84 7.307 -0.471 -2.247 1.00 0.00 C ATOM 1360 C LEU A 84 8.640 -1.174 -2.387 1.00 0.00 C ATOM 1361 O LEU A 84 8.741 -2.224 -3.024 1.00 0.00 O ATOM 1362 CB LEU A 84 7.082 0.383 -3.435 1.00 0.00 C ATOM 1363 CG LEU A 84 8.008 1.577 -3.512 1.00 0.00 C ATOM 1364 CD1 LEU A 84 9.445 1.128 -3.760 1.00 0.00 C ATOM 1365 CD2 LEU A 84 7.550 2.538 -4.589 1.00 0.00 C ATOM 0 H LEU A 84 7.226 1.194 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 84 6.468 -1.167 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.207 -0.221 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.050 0.735 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 84 7.976 2.099 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.095 2.001 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.770 0.482 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.498 0.580 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.229 3.390 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.548 2.030 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.543 2.887 -4.361 1.00 0.00 H new ATOM 1377 N THR A 85 9.678 -0.588 -1.796 1.00 0.00 N ATOM 1378 CA THR A 85 11.008 -1.166 -1.873 1.00 0.00 C ATOM 1379 C THR A 85 10.983 -2.617 -1.407 1.00 0.00 C ATOM 1380 O THR A 85 11.634 -3.476 -2.001 1.00 0.00 O ATOM 1381 CB THR A 85 12.010 -0.333 -1.069 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.288 -0.362 -1.680 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.184 -0.795 0.281 1.00 0.00 C ATOM 0 H THR A 85 9.621 0.280 -1.263 1.00 0.00 H new ATOM 0 HA THR A 85 11.335 -1.154 -2.913 1.00 0.00 H new ATOM 0 HB THR A 85 11.591 0.673 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.915 0.177 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.907 -0.160 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.229 -0.754 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.548 -1.822 0.270 1.00 0.00 H new ATOM 1391 N ALA A 86 10.222 -2.902 -0.359 1.00 0.00 N ATOM 1392 CA ALA A 86 10.136 -4.276 0.070 1.00 0.00 C ATOM 1393 C ALA A 86 8.916 -5.005 -0.430 1.00 0.00 C ATOM 1394 O ALA A 86 8.930 -6.232 -0.574 1.00 0.00 O ATOM 1395 CB ALA A 86 10.113 -4.327 1.581 1.00 0.00 C ATOM 0 H ALA A 86 9.681 -2.229 0.184 1.00 0.00 H new ATOM 0 HA ALA A 86 11.010 -4.773 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.048 -5.364 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.025 -3.879 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.249 -3.775 1.951 1.00 0.00 H new ATOM 1401 N LYS A 87 7.871 -4.256 -0.739 1.00 0.00 N ATOM 1402 CA LYS A 87 6.652 -4.825 -1.277 1.00 0.00 C ATOM 1403 C LYS A 87 6.345 -4.210 -2.637 1.00 0.00 C ATOM 1404 O LYS A 87 6.516 -3.023 -2.842 1.00 0.00 O ATOM 1405 CB LYS A 87 5.482 -4.602 -0.328 1.00 0.00 C ATOM 1406 CG LYS A 87 4.944 -5.886 0.211 1.00 0.00 C ATOM 1407 CD LYS A 87 6.014 -6.635 0.987 1.00 0.00 C ATOM 1408 CE LYS A 87 5.420 -7.787 1.785 1.00 0.00 C ATOM 1409 NZ LYS A 87 4.326 -7.332 2.692 1.00 0.00 N ATOM 0 H LYS A 87 7.845 -3.243 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 87 6.798 -5.899 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.802 -3.968 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.689 -4.068 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.092 -5.685 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.581 -6.506 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.765 -7.018 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.524 -5.948 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.033 -8.541 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.204 -8.263 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.123 -8.075 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.622 -6.465 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.470 -7.138 2.134 1.00 0.00 H new ATOM 1423 N TYR A 88 5.893 -5.044 -3.565 1.00 0.00 N ATOM 1424 CA TYR A 88 5.563 -4.594 -4.924 1.00 0.00 C ATOM 1425 C TYR A 88 6.812 -4.492 -5.798 1.00 0.00 C ATOM 1426 O TYR A 88 6.728 -4.561 -7.019 1.00 0.00 O ATOM 1427 CB TYR A 88 4.845 -3.235 -4.917 1.00 0.00 C ATOM 1428 CG TYR A 88 3.938 -3.004 -3.730 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.342 -4.064 -3.050 1.00 0.00 C ATOM 1430 CD2 TYR A 88 3.679 -1.717 -3.274 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.511 -3.850 -1.963 1.00 0.00 C ATOM 1432 CE2 TYR A 88 2.856 -1.493 -2.189 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.273 -2.563 -1.541 1.00 0.00 C ATOM 1434 OH TYR A 88 1.450 -2.347 -0.464 1.00 0.00 O ATOM 0 H TYR A 88 5.744 -6.041 -3.407 1.00 0.00 H new ATOM 0 HA TYR A 88 4.893 -5.346 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.594 -2.444 -4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.256 -3.146 -5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.532 -5.075 -3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.131 -0.876 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.055 -4.685 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.669 -0.485 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 88 1.384 -1.385 -0.290 1.00 0.00 H new ATOM 1444 N ASP A 89 7.979 -4.322 -5.165 1.00 0.00 N ATOM 1445 CA ASP A 89 9.252 -4.202 -5.881 1.00 0.00 C ATOM 1446 C ASP A 89 9.328 -5.160 -7.071 1.00 0.00 C ATOM 1447 O ASP A 89 9.542 -4.730 -8.206 1.00 0.00 O ATOM 1448 CB ASP A 89 10.415 -4.471 -4.927 1.00 0.00 C ATOM 1449 CG ASP A 89 11.588 -3.533 -5.172 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.347 -2.322 -5.370 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.738 -4.011 -5.160 1.00 0.00 O ATOM 0 H ASP A 89 8.066 -4.264 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 89 9.319 -3.185 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.072 -4.360 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.747 -5.503 -5.043 1.00 0.00 H new ATOM 1456 N PRO A 90 9.165 -6.474 -6.837 1.00 0.00 N ATOM 1457 CA PRO A 90 9.218 -7.479 -7.898 1.00 0.00 C ATOM 1458 C PRO A 90 8.349 -7.118 -9.104 1.00 0.00 C ATOM 1459 O PRO A 90 8.609 -7.570 -10.213 1.00 0.00 O ATOM 1460 CB PRO A 90 8.699 -8.762 -7.227 1.00 0.00 C ATOM 1461 CG PRO A 90 8.168 -8.344 -5.900 1.00 0.00 C ATOM 1462 CD PRO A 90 8.905 -7.091 -5.528 1.00 0.00 C ATOM 0 HA PRO A 90 10.227 -7.574 -8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.920 -9.230 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.498 -9.494 -7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.094 -8.163 -5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.326 -9.124 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.307 -6.444 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.828 -7.308 -4.991 1.00 0.00 H new ATOM 1470 N THR A 91 7.332 -6.295 -8.876 1.00 0.00 N ATOM 1471 CA THR A 91 6.440 -5.889 -9.957 1.00 0.00 C ATOM 1472 C THR A 91 7.175 -5.010 -10.974 1.00 0.00 C ATOM 1473 O THR A 91 7.166 -5.300 -12.165 1.00 0.00 O ATOM 1474 CB THR A 91 5.201 -5.167 -9.379 1.00 0.00 C ATOM 1475 OG1 THR A 91 4.034 -5.535 -10.095 1.00 0.00 O ATOM 1476 CG2 THR A 91 5.278 -3.653 -9.400 1.00 0.00 C ATOM 0 H THR A 91 7.105 -5.899 -7.964 1.00 0.00 H new ATOM 0 HA THR A 91 6.101 -6.781 -10.484 1.00 0.00 H new ATOM 0 HB THR A 91 5.167 -5.485 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.443 -4.758 -10.179 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.365 -3.236 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.135 -3.324 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.390 -3.309 -10.428 1.00 0.00 H new ATOM 1484 N GLY A 92 7.811 -3.945 -10.492 1.00 0.00 N ATOM 1485 CA GLY A 92 8.550 -3.055 -11.366 1.00 0.00 C ATOM 1486 C GLY A 92 7.778 -2.668 -12.618 1.00 0.00 C ATOM 1487 O GLY A 92 8.211 -2.949 -13.730 1.00 0.00 O ATOM 0 H GLY A 92 7.826 -3.683 -9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.813 -2.152 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.484 -3.535 -11.657 1.00 0.00 H new ATOM 1491 N ASN A 93 6.625 -2.033 -12.430 1.00 0.00 N ATOM 1492 CA ASN A 93 5.790 -1.615 -13.558 1.00 0.00 C ATOM 1493 C ASN A 93 4.555 -0.850 -13.092 1.00 0.00 C ATOM 1494 O ASN A 93 4.078 0.030 -13.769 1.00 0.00 O ATOM 1495 CB ASN A 93 5.366 -2.840 -14.374 1.00 0.00 C ATOM 1496 CG ASN A 93 5.445 -2.593 -15.869 1.00 0.00 C ATOM 1497 OD1 ASN A 93 6.284 -1.830 -16.343 1.00 0.00 O ATOM 1498 ND2 ASN A 93 4.560 -3.239 -16.626 1.00 0.00 N ATOM 0 H ASN A 93 6.246 -1.796 -11.513 1.00 0.00 H new ATOM 0 HA ASN A 93 6.382 -0.945 -14.181 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.003 -3.685 -14.114 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.346 -3.116 -14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.563 -3.109 -17.638 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.879 -3.864 -16.194 1.00 0.00 H new ATOM 1505 N TRP A 94 4.034 -1.231 -11.927 1.00 0.00 N ATOM 1506 CA TRP A 94 2.853 -0.583 -11.367 1.00 0.00 C ATOM 1507 C TRP A 94 3.260 0.446 -10.385 1.00 0.00 C ATOM 1508 O TRP A 94 2.699 1.530 -10.390 1.00 0.00 O ATOM 1509 CB TRP A 94 1.959 -1.628 -10.687 1.00 0.00 C ATOM 1510 CG TRP A 94 1.824 -2.902 -11.483 1.00 0.00 C ATOM 1511 CD1 TRP A 94 2.824 -3.792 -11.777 1.00 0.00 C ATOM 1512 CD2 TRP A 94 0.634 -3.428 -12.082 1.00 0.00 C ATOM 1513 NE1 TRP A 94 2.326 -4.824 -12.527 1.00 0.00 N ATOM 1514 CE2 TRP A 94 0.990 -4.626 -12.725 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -0.612 -2.997 -12.144 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 0.071 -5.397 -13.416 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -1.531 -3.771 -12.828 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -1.140 -4.963 -13.460 1.00 0.00 C ATOM 0 H TRP A 94 4.412 -1.985 -11.354 1.00 0.00 H new ATOM 0 HA TRP A 94 2.295 -0.105 -12.172 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.368 -1.863 -9.704 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.969 -1.201 -10.526 1.00 0.00 H new ATOM 0 HD1 TRP A 94 3.853 -3.694 -11.463 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.866 -5.613 -12.881 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.904 -2.069 -11.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.357 -6.321 -13.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.563 -3.455 -12.877 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.880 -5.534 -14.001 1.00 0.00 H new ATOM 1529 N ARG A 95 4.248 0.147 -9.549 1.00 0.00 N ATOM 1530 CA ARG A 95 4.736 1.098 -8.580 1.00 0.00 C ATOM 1531 C ARG A 95 5.169 2.374 -9.289 1.00 0.00 C ATOM 1532 O ARG A 95 5.103 3.464 -8.720 1.00 0.00 O ATOM 1533 CB ARG A 95 5.909 0.523 -7.785 1.00 0.00 C ATOM 1534 CG ARG A 95 7.114 0.188 -8.646 1.00 0.00 C ATOM 1535 CD ARG A 95 8.084 1.330 -8.740 1.00 0.00 C ATOM 1536 NE ARG A 95 9.185 1.204 -7.791 1.00 0.00 N ATOM 1537 CZ ARG A 95 10.240 0.427 -7.979 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.336 -0.243 -9.079 1.00 0.00 N ATOM 1539 NH2 ARG A 95 11.197 0.369 -7.063 1.00 0.00 N ATOM 0 H ARG A 95 4.724 -0.755 -9.530 1.00 0.00 H new ATOM 0 HA ARG A 95 3.929 1.321 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.206 1.240 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.580 -0.378 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.622 -0.684 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.778 -0.084 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.485 1.380 -9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.557 2.267 -8.559 1.00 0.00 H new ATOM 0 HE ARG A 95 9.139 1.748 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.605 -0.169 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.142 -0.846 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.121 0.924 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.009 -0.231 -7.211 1.00 0.00 H new ATOM 1553 N LYS A 96 5.603 2.224 -10.540 1.00 0.00 N ATOM 1554 CA LYS A 96 6.029 3.372 -11.336 1.00 0.00 C ATOM 1555 C LYS A 96 4.882 4.366 -11.493 1.00 0.00 C ATOM 1556 O LYS A 96 5.091 5.581 -11.462 1.00 0.00 O ATOM 1557 CB LYS A 96 6.519 2.913 -12.706 1.00 0.00 C ATOM 1558 CG LYS A 96 7.330 3.961 -13.447 1.00 0.00 C ATOM 1559 CD LYS A 96 8.796 3.923 -13.037 1.00 0.00 C ATOM 1560 CE LYS A 96 9.666 4.709 -14.000 1.00 0.00 C ATOM 1561 NZ LYS A 96 10.097 3.878 -15.162 1.00 0.00 N ATOM 0 H LYS A 96 5.668 1.326 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 96 6.850 3.867 -10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.126 2.016 -12.583 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.659 2.634 -13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.247 3.795 -14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.920 4.950 -13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.904 4.331 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.137 2.888 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.116 5.579 -14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.545 5.082 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.689 4.450 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.643 3.061 -14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.259 3.543 -15.679 1.00 0.00 H new ATOM 1575 N LYS A 97 3.669 3.839 -11.638 1.00 0.00 N ATOM 1576 CA LYS A 97 2.491 4.683 -11.774 1.00 0.00 C ATOM 1577 C LYS A 97 2.338 5.532 -10.525 1.00 0.00 C ATOM 1578 O LYS A 97 2.223 6.759 -10.594 1.00 0.00 O ATOM 1579 CB LYS A 97 1.244 3.825 -11.986 1.00 0.00 C ATOM 1580 CG LYS A 97 0.000 4.442 -11.429 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.180 3.982 -12.208 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.982 5.155 -12.745 1.00 0.00 C ATOM 1583 NZ LYS A 97 -1.854 5.274 -14.230 1.00 0.00 N ATOM 0 H LYS A 97 3.479 2.837 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 97 2.611 5.332 -12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.108 3.651 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.398 2.851 -11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.115 4.168 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.073 5.529 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.849 3.356 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.817 3.363 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.032 5.032 -12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.640 6.077 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.414 6.085 -14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.855 5.416 -14.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.204 4.404 -14.679 1.00 0.00 H new ATOM 1597 N TYR A 98 2.342 4.869 -9.377 1.00 0.00 N ATOM 1598 CA TYR A 98 2.208 5.564 -8.106 1.00 0.00 C ATOM 1599 C TYR A 98 3.315 6.600 -7.946 1.00 0.00 C ATOM 1600 O TYR A 98 3.104 7.667 -7.378 1.00 0.00 O ATOM 1601 CB TYR A 98 2.278 4.569 -6.951 1.00 0.00 C ATOM 1602 CG TYR A 98 1.058 3.688 -6.791 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.139 4.189 -6.993 1.00 0.00 C ATOM 1604 CD2 TYR A 98 1.189 2.362 -6.403 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.248 3.384 -6.821 1.00 0.00 C ATOM 1606 CE2 TYR A 98 0.085 1.560 -6.226 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.094 2.075 -6.435 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.195 1.279 -6.264 1.00 0.00 O ATOM 0 H TYR A 98 2.436 3.856 -9.300 1.00 0.00 H new ATOM 0 HA TYR A 98 1.241 6.068 -8.093 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.151 3.932 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.433 5.121 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.255 5.221 -7.291 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.174 1.952 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.237 3.784 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.193 0.529 -5.921 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.911 0.382 -5.991 1.00 0.00 H new ATOM 1618 N GLU A 99 4.505 6.267 -8.459 1.00 0.00 N ATOM 1619 CA GLU A 99 5.652 7.165 -8.377 1.00 0.00 C ATOM 1620 C GLU A 99 5.512 8.327 -9.351 1.00 0.00 C ATOM 1621 O GLU A 99 5.915 9.454 -9.060 1.00 0.00 O ATOM 1622 CB GLU A 99 6.942 6.400 -8.654 1.00 0.00 C ATOM 1623 CG GLU A 99 7.091 5.126 -7.831 1.00 0.00 C ATOM 1624 CD GLU A 99 8.238 5.189 -6.852 1.00 0.00 C ATOM 1625 OE1 GLU A 99 8.422 6.250 -6.218 1.00 0.00 O ATOM 1626 OE2 GLU A 99 8.960 4.180 -6.708 1.00 0.00 O ATOM 0 H GLU A 99 4.694 5.384 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 99 5.689 7.573 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.981 6.144 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.791 7.053 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.165 4.941 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.240 4.281 -8.503 1.00 0.00 H new ATOM 1633 N ASP A 100 4.931 8.053 -10.519 1.00 0.00 N ATOM 1634 CA ASP A 100 4.737 9.079 -11.532 1.00 0.00 C ATOM 1635 C ASP A 100 4.049 10.301 -10.937 1.00 0.00 C ATOM 1636 O ASP A 100 4.416 11.439 -11.233 1.00 0.00 O ATOM 1637 CB ASP A 100 3.928 8.523 -12.703 1.00 0.00 C ATOM 1638 CG ASP A 100 3.712 9.552 -13.796 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.703 10.167 -14.243 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.543 9.744 -14.209 1.00 0.00 O ATOM 0 H ASP A 100 4.588 7.129 -10.783 1.00 0.00 H new ATOM 0 HA ASP A 100 5.715 9.387 -11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.444 7.658 -13.119 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.961 8.174 -12.340 1.00 0.00 H new ATOM 1645 N ARG A 101 3.046 10.051 -10.101 1.00 0.00 N ATOM 1646 CA ARG A 101 2.307 11.131 -9.461 1.00 0.00 C ATOM 1647 C ARG A 101 3.232 11.983 -8.601 1.00 0.00 C ATOM 1648 O ARG A 101 3.179 13.212 -8.640 1.00 0.00 O ATOM 1649 CB ARG A 101 1.171 10.577 -8.610 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.073 11.299 -8.846 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.858 11.446 -7.567 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.385 12.799 -7.414 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.420 13.111 -6.621 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.039 12.160 -5.926 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.833 14.367 -6.542 1.00 0.00 N ATOM 0 H ARG A 101 2.728 9.114 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 101 1.883 11.758 -10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.028 9.520 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.438 10.645 -7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.146 12.284 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.672 10.769 -9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.681 10.731 -7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.219 11.205 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.940 13.550 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.726 11.192 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.826 12.399 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.364 15.093 -7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.620 14.608 -5.940 1.00 0.00 H new ATOM 1669 N ALA A 102 4.083 11.317 -7.827 1.00 0.00 N ATOM 1670 CA ALA A 102 5.025 12.010 -6.963 1.00 0.00 C ATOM 1671 C ALA A 102 5.915 12.954 -7.767 1.00 0.00 C ATOM 1672 O ALA A 102 6.558 13.842 -7.207 1.00 0.00 O ATOM 1673 CB ALA A 102 5.868 11.003 -6.191 1.00 0.00 C ATOM 0 H ALA A 102 4.138 10.299 -7.782 1.00 0.00 H new ATOM 0 HA ALA A 102 4.459 12.611 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.570 11.533 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.218 10.376 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.420 10.377 -6.892 1.00 0.00 H new ATOM 1679 N LYS A 103 5.948 12.760 -9.083 1.00 0.00 N ATOM 1680 CA LYS A 103 6.756 13.603 -9.950 1.00 0.00 C ATOM 1681 C LYS A 103 5.990 14.872 -10.316 1.00 0.00 C ATOM 1682 O LYS A 103 6.555 15.956 -10.385 1.00 0.00 O ATOM 1683 CB LYS A 103 7.147 12.845 -11.220 1.00 0.00 C ATOM 1684 CG LYS A 103 8.130 13.602 -12.099 1.00 0.00 C ATOM 1685 CD LYS A 103 9.072 12.651 -12.828 1.00 0.00 C ATOM 1686 CE LYS A 103 9.447 13.179 -14.201 1.00 0.00 C ATOM 1687 NZ LYS A 103 8.600 12.576 -15.268 1.00 0.00 N ATOM 0 H LYS A 103 5.426 12.029 -9.567 1.00 0.00 H new ATOM 0 HA LYS A 103 7.664 13.879 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.584 11.886 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.247 12.629 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.583 14.202 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.710 14.293 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.975 12.506 -12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.597 11.675 -12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.337 14.263 -14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.496 12.962 -14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.882 12.958 -16.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.724 11.543 -15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.601 12.805 -15.089 1.00 0.00 H new ATOM 1701 N ALA A 104 4.690 14.714 -10.533 1.00 0.00 N ATOM 1702 CA ALA A 104 3.839 15.847 -10.874 1.00 0.00 C ATOM 1703 C ALA A 104 3.586 16.721 -9.647 1.00 0.00 C ATOM 1704 O ALA A 104 3.395 17.930 -9.764 1.00 0.00 O ATOM 1705 CB ALA A 104 2.523 15.364 -11.463 1.00 0.00 C ATOM 0 H ALA A 104 4.205 13.819 -10.479 1.00 0.00 H new ATOM 0 HA ALA A 104 4.354 16.449 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.899 16.222 -11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.719 14.784 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.006 14.739 -10.735 1.00 0.00 H new ATOM 1711 N ALA A 105 3.585 16.096 -8.474 1.00 0.00 N ATOM 1712 CA ALA A 105 3.357 16.807 -7.231 1.00 0.00 C ATOM 1713 C ALA A 105 4.665 17.297 -6.619 1.00 0.00 C ATOM 1714 O ALA A 105 4.739 18.403 -6.085 1.00 0.00 O ATOM 1715 CB ALA A 105 2.611 15.926 -6.244 1.00 0.00 C ATOM 0 H ALA A 105 3.741 15.094 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 105 2.746 17.681 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.448 16.475 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.649 15.638 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.199 15.032 -6.038 1.00 0.00 H new ATOM 1721 N GLY A 106 5.703 16.460 -6.692 1.00 0.00 N ATOM 1722 CA GLY A 106 6.990 16.819 -6.140 1.00 0.00 C ATOM 1723 C GLY A 106 7.360 15.946 -4.962 1.00 0.00 C ATOM 1724 O GLY A 106 8.540 15.690 -4.715 1.00 0.00 O ATOM 0 H GLY A 106 5.668 15.538 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.754 16.730 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.973 17.863 -5.827 1.00 0.00 H new ATOM 1728 N ILE A 107 6.350 15.467 -4.248 1.00 0.00 N ATOM 1729 CA ILE A 107 6.560 14.606 -3.092 1.00 0.00 C ATOM 1730 C ILE A 107 7.360 13.361 -3.490 1.00 0.00 C ATOM 1731 O ILE A 107 6.823 12.438 -4.100 1.00 0.00 O ATOM 1732 CB ILE A 107 5.205 14.180 -2.473 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.403 13.059 -1.446 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.220 13.746 -3.550 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.338 13.426 -0.324 1.00 0.00 C ATOM 0 H ILE A 107 5.370 15.662 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 107 7.124 15.170 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 107 4.788 15.047 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.434 12.787 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.789 12.176 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.279 13.453 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.043 14.574 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.632 12.900 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.429 12.585 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.319 13.669 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.943 14.290 0.211 1.00 0.00 H new ATOM 1747 N VAL A 108 8.635 13.346 -3.133 1.00 0.00 N ATOM 1748 CA VAL A 108 9.505 12.226 -3.453 1.00 0.00 C ATOM 1749 C VAL A 108 10.149 11.653 -2.194 1.00 0.00 C ATOM 1750 O VAL A 108 10.227 12.330 -1.166 1.00 0.00 O ATOM 1751 CB VAL A 108 10.610 12.631 -4.448 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.375 11.403 -4.922 1.00 0.00 C ATOM 1753 CG2 VAL A 108 10.023 13.389 -5.620 1.00 0.00 C ATOM 0 H VAL A 108 9.091 14.100 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 108 8.878 11.464 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 108 11.310 13.292 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.152 11.707 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.833 10.907 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.689 10.715 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.820 13.666 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.299 12.758 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.527 14.290 -5.259 1.00 0.00 H new ATOM 1763 N ILE A 109 10.602 10.410 -2.273 1.00 0.00 N ATOM 1764 CA ILE A 109 11.238 9.754 -1.133 1.00 0.00 C ATOM 1765 C ILE A 109 12.493 10.507 -0.699 1.00 0.00 C ATOM 1766 O ILE A 109 13.334 10.850 -1.535 1.00 0.00 O ATOM 1767 CB ILE A 109 11.592 8.286 -1.444 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.855 7.531 -0.147 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.804 8.200 -2.376 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.587 7.117 0.482 1.00 0.00 C ATOM 0 H ILE A 109 10.542 9.834 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 109 10.516 9.766 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 109 10.747 7.825 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.470 6.654 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.418 8.163 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.033 7.154 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.580 8.711 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.663 8.673 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.798 6.580 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 109 9.986 7.999 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.039 6.466 -0.199 1.00 0.00 H new ATOM 1782 N PRO A 110 12.632 10.782 0.525 1.00 0.00 N ATOM 1783 CA PRO A 110 13.794 11.497 1.060 1.00 0.00 C ATOM 1784 C PRO A 110 15.107 10.805 0.730 1.00 0.00 C ATOM 1785 O PRO A 110 15.680 10.101 1.563 1.00 0.00 O ATOM 1786 CB PRO A 110 13.556 11.507 2.578 1.00 0.00 C ATOM 1787 CG PRO A 110 12.526 10.455 2.815 1.00 0.00 C ATOM 1788 CD PRO A 110 11.678 10.429 1.584 1.00 0.00 C ATOM 0 HA PRO A 110 13.884 12.494 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.475 11.289 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.208 12.483 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.991 9.485 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.928 10.685 3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.235 9.447 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.857 11.143 1.643 1.00 0.00 H new ATOM 1796 N GLU A 111 15.582 11.002 -0.415 1.00 0.00 N ATOM 1797 CA GLU A 111 16.829 10.396 -0.861 1.00 0.00 C ATOM 1798 C GLU A 111 18.031 11.148 -0.309 1.00 0.00 C ATOM 1799 O GLU A 111 18.748 11.821 -1.047 1.00 0.00 O ATOM 1800 CB GLU A 111 16.875 10.376 -2.392 1.00 0.00 C ATOM 1801 CG GLU A 111 15.521 10.153 -3.042 1.00 0.00 C ATOM 1802 CD GLU A 111 15.631 9.486 -4.404 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.316 10.044 -5.280 1.00 0.00 O ATOM 1804 OE2 GLU A 111 15.021 8.410 -4.589 1.00 0.00 O ATOM 0 H GLU A 111 15.136 11.596 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 111 16.870 9.374 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.287 11.321 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.557 9.590 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.905 9.536 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.012 11.111 -3.150 1.00 0.00 H new ATOM 1811 N GLU A 112 18.251 11.028 0.914 1.00 0.00 N ATOM 1812 CA GLU A 112 19.367 11.699 1.568 1.00 0.00 C ATOM 1813 C GLU A 112 20.698 11.233 0.984 1.00 0.00 C ATOM 1814 O GLU A 112 21.226 11.931 0.108 1.00 0.00 O ATOM 1815 CB GLU A 112 19.339 11.432 3.073 1.00 0.00 C ATOM 1816 CG GLU A 112 19.446 12.697 3.917 1.00 0.00 C ATOM 1817 CD GLU A 112 18.377 13.718 3.578 1.00 0.00 C ATOM 1818 OE1 GLU A 112 17.282 13.652 4.172 1.00 0.00 O ATOM 1819 OE2 GLU A 112 18.637 14.580 2.715 1.00 0.00 O ATOM 1820 OXT GLU A 112 21.204 10.173 1.418 1.00 0.00 O ATOM 0 H GLU A 112 17.678 10.462 1.540 1.00 0.00 H new ATOM 0 HA GLU A 112 19.267 12.770 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.414 10.914 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.160 10.762 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 112 19.369 12.433 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 112 20.429 13.144 3.771 1.00 0.00 H new TER 1827 GLU A 112