USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 778 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 23 ASN : amide:sc= -2.26 K(o=-0.56,f=-20!) USER MOD Set 1.2: A 95 LYS NZ :NH3+ -139:sc= 1.7 (180deg=-1.11) USER MOD Set 2.1: A 63 GLN : amide:sc= -0.725 K(o=-0.00096,f=-6!) USER MOD Set 2.2: A 84 ASN : amide:sc= -2.72! C(o=-0.00096!,f=-6!) USER MOD Set 2.3: A 85 SER OG : rot 110:sc= 2.2 USER MOD Set 2.4: A 89 TYR OH : rot 149:sc= 1.25 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -167:sc= 1.58 (180deg=1.26) USER MOD Set 3.2: A 78 ASN : amide:sc= -1.03 K(o=0.55,f=-3.7) USER MOD Set 4.1: A 25 ASN : amide:sc= 0.275 K(o=0.99,f=-8.8!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 136:sc= 0.71 (180deg=0) USER MOD Set 5.1: A 5 TYR OH : rot 165:sc= 1.08 USER MOD Set 5.2: A 8 GLN : amide:sc= 2.18 K(o=3.3,f=-2.8!) USER MOD Set 5.3: A 13 CYS SG : rot 8:sc= 0.00511 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.492 K(o=0.49,f=-0.0097) USER MOD Single : A 7 GLN : amide:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -110:sc= 1.35 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 150:sc= -0.85 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00166 USER MOD Single : A 34 SER OG : rot 166:sc= 0.64 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 2.38 (180deg=0.911) USER MOD Single : A 46 MET CE :methyl 168:sc= -0.151 (180deg=-0.461) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.142 (180deg=-0.423) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -3.38! C(o=-4.1!,f=-3.4!) USER MOD Single : A 50 ASN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 59 TYR OH : rot 5:sc= -1.03 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0741 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= -0.0533 (180deg=-0.0681) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.15) USER MOD Single : A 76 ASN : amide:sc= -0.936 K(o=-0.94,f=-1.7) USER MOD Single : A 81 TYR OH : rot 109:sc= -4.53! USER MOD Single : A 83 MET CE :methyl -167:sc= 0 (180deg=-0.131) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.86 K(o=-0.86,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= 1.18 (180deg=0.969) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.695 -27.530 13.943 1.00 0.00 N ATOM 2 CA ALA A 1 4.226 -27.751 13.825 1.00 0.00 C ATOM 3 C ALA A 1 3.797 -27.890 12.361 1.00 0.00 C ATOM 4 O ALA A 1 3.176 -28.885 11.985 1.00 0.00 O ATOM 5 CB ALA A 1 3.461 -26.618 14.500 1.00 0.00 C ATOM 0 H1 ALA A 1 5.953 -27.440 14.946 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.202 -28.337 13.526 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.957 -26.659 13.439 1.00 0.00 H new ATOM 0 HA ALA A 1 3.988 -28.686 14.332 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.390 -26.795 14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.729 -26.576 15.556 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.716 -25.672 14.023 1.00 0.00 H new ATOM 13 N LEU A 2 4.133 -26.891 11.543 1.00 0.00 N ATOM 14 CA LEU A 2 3.782 -26.906 10.123 1.00 0.00 C ATOM 15 C LEU A 2 4.900 -26.298 9.272 1.00 0.00 C ATOM 16 O LEU A 2 5.750 -25.566 9.781 1.00 0.00 O ATOM 17 CB LEU A 2 2.470 -26.145 9.895 1.00 0.00 C ATOM 18 CG LEU A 2 2.496 -24.664 10.287 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.028 -23.797 9.130 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.632 -24.424 11.516 1.00 0.00 C ATOM 0 H LEU A 2 4.648 -26.062 11.840 1.00 0.00 H new ATOM 0 HA LEU A 2 3.650 -27.944 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.204 -26.220 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.679 -26.640 10.459 1.00 0.00 H new ATOM 0 HG LEU A 2 3.523 -24.390 10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.053 -22.749 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.685 -23.947 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.009 -24.072 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.662 -23.367 11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.604 -24.715 11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.010 -25.017 12.348 1.00 0.00 H new ATOM 32 N PRO A 3 4.912 -26.596 7.956 1.00 0.00 N ATOM 33 CA PRO A 3 5.927 -26.076 7.036 1.00 0.00 C ATOM 34 C PRO A 3 5.605 -24.665 6.538 1.00 0.00 C ATOM 35 O PRO A 3 4.630 -24.049 6.974 1.00 0.00 O ATOM 36 CB PRO A 3 5.890 -27.079 5.883 1.00 0.00 C ATOM 37 CG PRO A 3 4.485 -27.593 5.859 1.00 0.00 C ATOM 38 CD PRO A 3 3.935 -27.460 7.264 1.00 0.00 C ATOM 0 HA PRO A 3 6.903 -25.982 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.152 -26.603 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.603 -27.888 6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.879 -27.024 5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.461 -28.633 5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.941 -27.014 7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.847 -28.431 7.751 1.00 0.00 H new ATOM 46 N LEU A 4 6.433 -24.157 5.622 1.00 0.00 N ATOM 47 CA LEU A 4 6.238 -22.818 5.062 1.00 0.00 C ATOM 48 C LEU A 4 4.940 -22.738 4.251 1.00 0.00 C ATOM 49 O LEU A 4 4.345 -23.764 3.913 1.00 0.00 O ATOM 50 CB LEU A 4 7.434 -22.422 4.185 1.00 0.00 C ATOM 51 CG LEU A 4 7.713 -23.349 2.996 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.392 -22.651 1.684 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.162 -23.813 3.011 1.00 0.00 C ATOM 0 H LEU A 4 7.244 -24.653 5.253 1.00 0.00 H new ATOM 0 HA LEU A 4 6.162 -22.118 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.267 -21.414 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.325 -22.384 4.811 1.00 0.00 H new ATOM 0 HG LEU A 4 7.068 -24.223 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.597 -23.326 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.339 -22.368 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.009 -21.758 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.342 -24.470 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.822 -22.948 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.361 -24.354 3.936 1.00 0.00 H new ATOM 65 N TYR A 5 4.508 -21.511 3.950 1.00 0.00 N ATOM 66 CA TYR A 5 3.279 -21.283 3.186 1.00 0.00 C ATOM 67 C TYR A 5 3.267 -22.094 1.888 1.00 0.00 C ATOM 68 O TYR A 5 4.005 -21.794 0.947 1.00 0.00 O ATOM 69 CB TYR A 5 3.114 -19.790 2.873 1.00 0.00 C ATOM 70 CG TYR A 5 1.705 -19.397 2.482 1.00 0.00 C ATOM 71 CD1 TYR A 5 1.203 -19.696 1.221 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.879 -18.724 3.374 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.082 -19.335 0.860 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.407 -18.359 3.019 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.883 -18.667 1.761 1.00 0.00 C ATOM 76 OH TYR A 5 -2.163 -18.305 1.398 1.00 0.00 O ATOM 0 H TYR A 5 4.993 -20.657 4.225 1.00 0.00 H new ATOM 0 HA TYR A 5 2.442 -21.616 3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.413 -19.211 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.793 -19.521 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.827 -20.219 0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.247 -18.482 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.457 -19.576 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.036 -17.835 3.723 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.674 -18.063 2.198 1.00 0.00 H new ATOM 86 N ASN A 6 2.418 -23.121 1.850 1.00 0.00 N ATOM 87 CA ASN A 6 2.294 -23.983 0.676 1.00 0.00 C ATOM 88 C ASN A 6 0.825 -24.152 0.286 1.00 0.00 C ATOM 89 O ASN A 6 0.415 -23.751 -0.804 1.00 0.00 O ATOM 90 CB ASN A 6 2.927 -25.351 0.950 1.00 0.00 C ATOM 91 CG ASN A 6 4.393 -25.402 0.570 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.741 -25.721 -0.565 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.266 -25.087 1.520 1.00 0.00 N ATOM 0 H ASN A 6 1.804 -23.377 2.623 1.00 0.00 H new ATOM 0 HA ASN A 6 2.822 -23.511 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.821 -25.591 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.385 -26.116 0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.266 -25.105 1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.936 -24.827 2.450 1.00 0.00 H new ATOM 100 N GLN A 7 0.040 -24.744 1.186 1.00 0.00 N ATOM 101 CA GLN A 7 -1.385 -24.963 0.945 1.00 0.00 C ATOM 102 C GLN A 7 -2.223 -24.313 2.045 1.00 0.00 C ATOM 103 O GLN A 7 -2.352 -24.856 3.144 1.00 0.00 O ATOM 104 CB GLN A 7 -1.689 -26.463 0.867 1.00 0.00 C ATOM 105 CG GLN A 7 -0.930 -27.185 -0.238 1.00 0.00 C ATOM 106 CD GLN A 7 -0.254 -28.454 0.247 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.640 -29.559 -0.133 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.761 -28.305 1.090 1.00 0.00 N ATOM 0 H GLN A 7 0.369 -25.081 2.091 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.646 -24.502 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.445 -26.924 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.759 -26.600 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.620 -27.432 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.178 -26.514 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.050 -27.371 1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.252 -29.125 1.447 1.00 0.00 H new ATOM 117 N GLN A 8 -2.786 -23.143 1.742 1.00 0.00 N ATOM 118 CA GLN A 8 -3.609 -22.414 2.705 1.00 0.00 C ATOM 119 C GLN A 8 -5.041 -22.252 2.193 1.00 0.00 C ATOM 120 O GLN A 8 -5.268 -21.651 1.141 1.00 0.00 O ATOM 121 CB GLN A 8 -2.998 -21.038 2.995 1.00 0.00 C ATOM 122 CG GLN A 8 -3.539 -20.382 4.258 1.00 0.00 C ATOM 123 CD GLN A 8 -4.272 -19.084 3.976 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.655 -18.067 3.655 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.595 -19.109 4.091 1.00 0.00 N ATOM 0 H GLN A 8 -2.687 -22.681 0.838 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.638 -22.993 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.917 -21.142 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.186 -20.381 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.214 -21.074 4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.714 -20.187 4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.067 -19.972 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.139 -18.265 3.911 1.00 0.00 H new ATOM 134 N VAL A 9 -6.001 -22.794 2.943 1.00 0.00 N ATOM 135 CA VAL A 9 -7.411 -22.711 2.569 1.00 0.00 C ATOM 136 C VAL A 9 -8.273 -22.318 3.770 1.00 0.00 C ATOM 137 O VAL A 9 -8.591 -23.153 4.619 1.00 0.00 O ATOM 138 CB VAL A 9 -7.923 -24.051 1.991 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.340 -23.900 1.458 1.00 0.00 C ATOM 140 CG2 VAL A 9 -6.991 -24.558 0.898 1.00 0.00 C ATOM 0 H VAL A 9 -5.826 -23.296 3.814 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.492 -21.943 1.800 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.936 -24.785 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.681 -24.854 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.002 -23.590 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.354 -23.148 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.370 -25.502 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.941 -23.824 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.994 -24.711 1.312 1.00 0.00 H new ATOM 150 N GLY A 10 -8.644 -21.038 3.836 1.00 0.00 N ATOM 151 CA GLY A 10 -9.463 -20.554 4.937 1.00 0.00 C ATOM 152 C GLY A 10 -10.116 -19.218 4.634 1.00 0.00 C ATOM 153 O GLY A 10 -10.571 -18.984 3.513 1.00 0.00 O ATOM 0 H GLY A 10 -8.392 -20.329 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.236 -21.290 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.845 -20.458 5.830 1.00 0.00 H new ATOM 157 N ASP A 11 -10.162 -18.339 5.634 1.00 0.00 N ATOM 158 CA ASP A 11 -10.765 -17.017 5.471 1.00 0.00 C ATOM 159 C ASP A 11 -9.721 -15.907 5.635 1.00 0.00 C ATOM 160 O ASP A 11 -9.959 -14.904 6.315 1.00 0.00 O ATOM 161 CB ASP A 11 -11.913 -16.833 6.471 1.00 0.00 C ATOM 162 CG ASP A 11 -13.258 -17.207 5.877 1.00 0.00 C ATOM 163 OD1 ASP A 11 -13.823 -16.385 5.125 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.742 -18.323 6.161 1.00 0.00 O ATOM 0 H ASP A 11 -9.789 -18.519 6.566 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.166 -16.947 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.725 -17.445 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.940 -15.795 6.803 1.00 0.00 H new ATOM 169 N CYS A 12 -8.564 -16.092 5.000 1.00 0.00 N ATOM 170 CA CYS A 12 -7.484 -15.112 5.065 1.00 0.00 C ATOM 171 C CYS A 12 -6.382 -15.432 4.054 1.00 0.00 C ATOM 172 O CYS A 12 -6.297 -16.550 3.545 1.00 0.00 O ATOM 173 CB CYS A 12 -6.894 -15.064 6.477 1.00 0.00 C ATOM 174 SG CYS A 12 -6.316 -16.662 7.097 1.00 0.00 S ATOM 0 H CYS A 12 -8.352 -16.914 4.434 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.904 -14.137 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.061 -14.361 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.648 -14.674 7.160 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.834 -16.514 8.295 1.00 0.00 H new ATOM 180 N CYS A 13 -5.540 -14.439 3.776 1.00 0.00 N ATOM 181 CA CYS A 13 -4.434 -14.595 2.834 1.00 0.00 C ATOM 182 C CYS A 13 -3.308 -13.609 3.160 1.00 0.00 C ATOM 183 O CYS A 13 -3.376 -12.885 4.156 1.00 0.00 O ATOM 184 CB CYS A 13 -4.930 -14.386 1.398 1.00 0.00 C ATOM 185 SG CYS A 13 -4.229 -15.543 0.198 1.00 0.00 S ATOM 0 H CYS A 13 -5.604 -13.511 4.194 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.040 -15.607 2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.016 -14.478 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.692 -13.369 1.087 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.547 -16.457 0.823 1.00 0.00 H new ATOM 191 N ILE A 14 -2.281 -13.574 2.315 1.00 0.00 N ATOM 192 CA ILE A 14 -1.156 -12.662 2.516 1.00 0.00 C ATOM 193 C ILE A 14 -1.087 -11.647 1.385 1.00 0.00 C ATOM 194 O ILE A 14 -1.511 -11.923 0.261 1.00 0.00 O ATOM 195 CB ILE A 14 0.208 -13.386 2.621 1.00 0.00 C ATOM 196 CG1 ILE A 14 0.052 -14.909 2.576 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.926 -12.966 3.894 1.00 0.00 C ATOM 198 CD1 ILE A 14 0.168 -15.483 1.178 1.00 0.00 C ATOM 0 H ILE A 14 -2.203 -14.164 1.487 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.340 -12.165 3.468 1.00 0.00 H new ATOM 0 HB ILE A 14 0.805 -13.094 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.811 -15.364 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.918 -15.180 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.884 -13.481 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.093 -11.889 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.316 -13.226 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.048 -16.566 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.608 -15.055 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.148 -15.242 0.766 1.00 0.00 H new ATOM 210 N ILE A 15 -0.565 -10.469 1.695 1.00 0.00 N ATOM 211 CA ILE A 15 -0.457 -9.401 0.712 1.00 0.00 C ATOM 212 C ILE A 15 0.851 -8.632 0.851 1.00 0.00 C ATOM 213 O ILE A 15 1.186 -8.159 1.937 1.00 0.00 O ATOM 214 CB ILE A 15 -1.617 -8.401 0.862 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.971 -9.071 0.614 1.00 0.00 C ATOM 216 CG2 ILE A 15 -1.428 -7.233 -0.087 1.00 0.00 C ATOM 217 CD1 ILE A 15 -4.092 -8.075 0.408 1.00 0.00 C ATOM 0 H ILE A 15 -0.209 -10.229 2.620 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.492 -9.878 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.610 -8.033 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.897 -9.714 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.213 -9.713 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.255 -6.533 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.490 -6.727 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.403 -7.599 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.027 -8.609 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.189 -7.448 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.868 -7.449 -0.456 1.00 0.00 H new ATOM 229 N ARG A 16 1.566 -8.476 -0.262 1.00 0.00 N ATOM 230 CA ARG A 16 2.818 -7.728 -0.269 1.00 0.00 C ATOM 231 C ARG A 16 2.546 -6.292 -0.715 1.00 0.00 C ATOM 232 O ARG A 16 2.367 -6.018 -1.903 1.00 0.00 O ATOM 233 CB ARG A 16 3.845 -8.408 -1.179 1.00 0.00 C ATOM 234 CG ARG A 16 5.284 -7.992 -0.907 1.00 0.00 C ATOM 235 CD ARG A 16 6.202 -9.197 -0.772 1.00 0.00 C ATOM 236 NE ARG A 16 6.174 -10.046 -1.965 1.00 0.00 N ATOM 237 CZ ARG A 16 6.773 -9.744 -3.119 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.471 -8.622 -3.246 1.00 0.00 N ATOM 239 NH2 ARG A 16 6.670 -10.569 -4.150 1.00 0.00 N ATOM 0 H ARG A 16 1.298 -8.858 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 16 3.236 -7.708 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.761 -9.488 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.602 -8.181 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.638 -7.354 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.325 -7.399 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.222 -8.857 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.904 -9.784 0.097 1.00 0.00 H new ATOM 0 HE ARG A 16 5.663 -10.927 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.554 -7.981 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.925 -8.401 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.134 -11.432 -4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.127 -10.341 -5.033 1.00 0.00 H new ATOM 253 N VAL A 17 2.480 -5.391 0.264 1.00 0.00 N ATOM 254 CA VAL A 17 2.191 -3.978 0.010 1.00 0.00 C ATOM 255 C VAL A 17 3.469 -3.167 -0.242 1.00 0.00 C ATOM 256 O VAL A 17 4.547 -3.531 0.228 1.00 0.00 O ATOM 257 CB VAL A 17 1.443 -3.342 1.211 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.282 -3.402 2.483 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.054 -1.904 0.906 1.00 0.00 C ATOM 0 H VAL A 17 2.624 -5.616 1.248 1.00 0.00 H new ATOM 0 HA VAL A 17 1.566 -3.948 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 17 0.535 -3.922 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.729 -2.948 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.503 -4.442 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.215 -2.859 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.531 -1.479 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.951 -1.320 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.401 -1.881 0.034 1.00 0.00 H new ATOM 269 N SER A 18 3.333 -2.051 -0.964 1.00 0.00 N ATOM 270 CA SER A 18 4.470 -1.172 -1.251 1.00 0.00 C ATOM 271 C SER A 18 4.017 0.273 -1.456 1.00 0.00 C ATOM 272 O SER A 18 3.275 0.572 -2.392 1.00 0.00 O ATOM 273 CB SER A 18 5.232 -1.653 -2.488 1.00 0.00 C ATOM 274 OG SER A 18 4.378 -1.748 -3.616 1.00 0.00 O ATOM 0 H SER A 18 2.448 -1.735 -1.360 1.00 0.00 H new ATOM 0 HA SER A 18 5.134 -1.208 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.049 -0.965 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.680 -2.626 -2.286 1.00 0.00 H new ATOM 0 HG SER A 18 4.236 -2.691 -3.840 1.00 0.00 H new ATOM 280 N LEU A 19 4.474 1.171 -0.583 1.00 0.00 N ATOM 281 CA LEU A 19 4.117 2.586 -0.684 1.00 0.00 C ATOM 282 C LEU A 19 4.870 3.249 -1.839 1.00 0.00 C ATOM 283 O LEU A 19 6.060 2.992 -2.040 1.00 0.00 O ATOM 284 CB LEU A 19 4.417 3.317 0.631 1.00 0.00 C ATOM 285 CG LEU A 19 3.182 3.813 1.387 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.992 3.038 2.684 1.00 0.00 C ATOM 287 CD2 LEU A 19 3.293 5.306 1.665 1.00 0.00 C ATOM 0 H LEU A 19 5.089 0.945 0.199 1.00 0.00 H new ATOM 0 HA LEU A 19 3.047 2.652 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.979 2.648 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.061 4.170 0.417 1.00 0.00 H new ATOM 0 HG LEU A 19 2.307 3.642 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.108 3.409 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.864 1.979 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.868 3.171 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.407 5.643 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.180 5.499 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.372 5.847 0.722 1.00 0.00 H new ATOM 299 N ASP A 20 4.171 4.087 -2.611 1.00 0.00 N ATOM 300 CA ASP A 20 4.787 4.757 -3.757 1.00 0.00 C ATOM 301 C ASP A 20 4.137 6.118 -4.054 1.00 0.00 C ATOM 302 O ASP A 20 3.556 6.319 -5.122 1.00 0.00 O ATOM 303 CB ASP A 20 4.693 3.841 -4.983 1.00 0.00 C ATOM 304 CG ASP A 20 5.371 4.414 -6.214 1.00 0.00 C ATOM 305 OD1 ASP A 20 6.575 4.735 -6.135 1.00 0.00 O ATOM 306 OD2 ASP A 20 4.695 4.537 -7.257 1.00 0.00 O ATOM 0 H ASP A 20 3.188 4.315 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 20 5.832 4.953 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.144 2.878 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.643 3.654 -5.209 1.00 0.00 H new ATOM 311 N VAL A 21 4.258 7.054 -3.112 1.00 0.00 N ATOM 312 CA VAL A 21 3.698 8.401 -3.286 1.00 0.00 C ATOM 313 C VAL A 21 4.442 9.426 -2.426 1.00 0.00 C ATOM 314 O VAL A 21 5.300 10.153 -2.926 1.00 0.00 O ATOM 315 CB VAL A 21 2.183 8.446 -2.968 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.673 9.881 -2.905 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.401 7.656 -4.001 1.00 0.00 C ATOM 0 H VAL A 21 4.736 6.908 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 21 3.830 8.660 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 21 2.034 7.992 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.606 9.879 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.207 10.423 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.840 10.369 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.338 7.698 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.568 8.084 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.734 6.618 -3.994 1.00 0.00 H new ATOM 327 N ASP A 22 4.112 9.473 -1.137 1.00 0.00 N ATOM 328 CA ASP A 22 4.756 10.404 -0.212 1.00 0.00 C ATOM 329 C ASP A 22 5.947 9.753 0.491 1.00 0.00 C ATOM 330 O ASP A 22 6.783 10.442 1.076 1.00 0.00 O ATOM 331 CB ASP A 22 3.748 10.904 0.828 1.00 0.00 C ATOM 332 CG ASP A 22 2.595 11.667 0.207 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.818 12.800 -0.268 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.467 11.132 0.198 1.00 0.00 O ATOM 0 H ASP A 22 3.403 8.878 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 22 5.123 11.250 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.357 10.054 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.260 11.547 1.544 1.00 0.00 H new ATOM 339 N ASN A 23 6.016 8.421 0.435 1.00 0.00 N ATOM 340 CA ASN A 23 7.099 7.679 1.071 1.00 0.00 C ATOM 341 C ASN A 23 7.522 6.488 0.212 1.00 0.00 C ATOM 342 O ASN A 23 6.780 5.512 0.080 1.00 0.00 O ATOM 343 CB ASN A 23 6.672 7.190 2.462 1.00 0.00 C ATOM 344 CG ASN A 23 5.724 8.150 3.162 1.00 0.00 C ATOM 345 OD1 ASN A 23 4.524 8.163 2.886 1.00 0.00 O ATOM 346 ND2 ASN A 23 6.252 8.963 4.073 1.00 0.00 N ATOM 0 H ASN A 23 5.332 7.836 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 23 7.949 8.353 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.191 6.217 2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.559 7.048 3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.658 9.627 4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.251 8.923 4.275 1.00 0.00 H new ATOM 353 N GLY A 24 8.718 6.574 -0.365 1.00 0.00 N ATOM 354 CA GLY A 24 9.227 5.494 -1.199 1.00 0.00 C ATOM 355 C GLY A 24 9.728 4.323 -0.375 1.00 0.00 C ATOM 356 O GLY A 24 10.937 4.134 -0.222 1.00 0.00 O ATOM 0 H GLY A 24 9.346 7.373 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.439 5.153 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.037 5.870 -1.823 1.00 0.00 H new ATOM 360 N ASN A 25 8.793 3.543 0.168 1.00 0.00 N ATOM 361 CA ASN A 25 9.134 2.388 0.997 1.00 0.00 C ATOM 362 C ASN A 25 9.209 1.103 0.169 1.00 0.00 C ATOM 363 O ASN A 25 8.633 1.013 -0.918 1.00 0.00 O ATOM 364 CB ASN A 25 8.101 2.225 2.117 1.00 0.00 C ATOM 365 CG ASN A 25 8.702 1.660 3.393 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.293 0.579 3.389 1.00 0.00 O ATOM 367 ND2 ASN A 25 8.547 2.380 4.500 1.00 0.00 N ATOM 0 H ASN A 25 7.791 3.691 0.048 1.00 0.00 H new ATOM 0 HA ASN A 25 10.118 2.567 1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.648 3.193 2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.301 1.568 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.924 2.042 5.385 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.051 3.271 4.464 1.00 0.00 H new ATOM 374 N MET A 26 9.920 0.109 0.700 1.00 0.00 N ATOM 375 CA MET A 26 10.075 -1.180 0.028 1.00 0.00 C ATOM 376 C MET A 26 8.846 -2.066 0.250 1.00 0.00 C ATOM 377 O MET A 26 8.001 -1.773 1.102 1.00 0.00 O ATOM 378 CB MET A 26 11.340 -1.889 0.534 1.00 0.00 C ATOM 379 CG MET A 26 12.459 -1.949 -0.494 1.00 0.00 C ATOM 380 SD MET A 26 12.107 -3.097 -1.840 1.00 0.00 S ATOM 381 CE MET A 26 13.291 -4.397 -1.498 1.00 0.00 C ATOM 0 H MET A 26 10.400 0.173 1.598 1.00 0.00 H new ATOM 0 HA MET A 26 10.172 -0.998 -1.042 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.703 -1.375 1.424 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.081 -2.904 0.836 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.623 -0.953 -0.905 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.384 -2.247 -0.001 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.196 -5.183 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.300 -3.987 -1.529 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.098 -4.814 -0.509 1.00 0.00 H new ATOM 391 N TYR A 27 8.748 -3.150 -0.525 1.00 0.00 N ATOM 392 CA TYR A 27 7.620 -4.078 -0.414 1.00 0.00 C ATOM 393 C TYR A 27 7.596 -4.754 0.957 1.00 0.00 C ATOM 394 O TYR A 27 8.638 -5.143 1.488 1.00 0.00 O ATOM 395 CB TYR A 27 7.685 -5.146 -1.514 1.00 0.00 C ATOM 396 CG TYR A 27 6.744 -4.894 -2.672 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.364 -4.952 -2.501 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.235 -4.603 -3.938 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.506 -4.725 -3.561 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.380 -4.375 -5.001 1.00 0.00 C ATOM 401 CZ TYR A 27 5.019 -4.438 -4.807 1.00 0.00 C ATOM 402 OH TYR A 27 4.165 -4.212 -5.863 1.00 0.00 O ATOM 0 H TYR A 27 9.435 -3.406 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 27 6.705 -3.498 -0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.705 -5.201 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.455 -6.118 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.958 -5.178 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.302 -4.554 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.437 -4.772 -3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.779 -4.149 -5.979 1.00 0.00 H new ATOM 0 HH TYR A 27 4.583 -3.590 -6.495 1.00 0.00 H new ATOM 412 N LYS A 28 6.396 -4.896 1.517 1.00 0.00 N ATOM 413 CA LYS A 28 6.215 -5.531 2.823 1.00 0.00 C ATOM 414 C LYS A 28 4.917 -6.339 2.836 1.00 0.00 C ATOM 415 O LYS A 28 3.855 -5.814 2.510 1.00 0.00 O ATOM 416 CB LYS A 28 6.182 -4.483 3.950 1.00 0.00 C ATOM 417 CG LYS A 28 7.343 -3.494 3.936 1.00 0.00 C ATOM 418 CD LYS A 28 8.636 -4.134 4.417 1.00 0.00 C ATOM 419 CE LYS A 28 9.855 -3.348 3.950 1.00 0.00 C ATOM 420 NZ LYS A 28 9.900 -1.979 4.542 1.00 0.00 N ATOM 0 H LYS A 28 5.529 -4.578 1.084 1.00 0.00 H new ATOM 0 HA LYS A 28 7.062 -6.196 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.247 -3.926 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.176 -5.001 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.481 -3.110 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.102 -2.641 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.633 -4.190 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.697 -5.157 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.761 -3.890 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.842 -3.272 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.868 -1.770 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.614 -1.281 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.250 -1.930 5.352 1.00 0.00 H new ATOM 434 N SER A 29 5.001 -7.614 3.209 1.00 0.00 N ATOM 435 CA SER A 29 3.815 -8.467 3.249 1.00 0.00 C ATOM 436 C SER A 29 3.080 -8.330 4.584 1.00 0.00 C ATOM 437 O SER A 29 3.701 -8.220 5.644 1.00 0.00 O ATOM 438 CB SER A 29 4.199 -9.932 2.985 1.00 0.00 C ATOM 439 OG SER A 29 3.925 -10.763 4.104 1.00 0.00 O ATOM 0 H SER A 29 5.868 -8.076 3.485 1.00 0.00 H new ATOM 0 HA SER A 29 3.136 -8.140 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.651 -10.300 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.260 -9.991 2.741 1.00 0.00 H new ATOM 0 HG SER A 29 4.181 -11.686 3.897 1.00 0.00 H new ATOM 445 N ILE A 30 1.750 -8.332 4.515 1.00 0.00 N ATOM 446 CA ILE A 30 0.904 -8.204 5.702 1.00 0.00 C ATOM 447 C ILE A 30 -0.252 -9.205 5.651 1.00 0.00 C ATOM 448 O ILE A 30 -0.715 -9.574 4.568 1.00 0.00 O ATOM 449 CB ILE A 30 0.317 -6.773 5.846 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.180 -5.730 5.115 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.162 -6.398 7.314 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.466 -5.377 5.833 1.00 0.00 C ATOM 0 H ILE A 30 1.231 -8.422 3.642 1.00 0.00 H new ATOM 0 HA ILE A 30 1.540 -8.410 6.563 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.668 -6.776 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.423 -6.107 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.593 -4.822 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.251 -5.392 7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.510 -7.104 7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.136 -6.429 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.015 -4.636 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.233 -4.968 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.076 -6.273 5.948 1.00 0.00 H new ATOM 464 N LEU A 31 -0.723 -9.640 6.822 1.00 0.00 N ATOM 465 CA LEU A 31 -1.832 -10.590 6.892 1.00 0.00 C ATOM 466 C LEU A 31 -3.146 -9.906 6.522 1.00 0.00 C ATOM 467 O LEU A 31 -3.458 -8.821 7.023 1.00 0.00 O ATOM 468 CB LEU A 31 -1.936 -11.206 8.292 1.00 0.00 C ATOM 469 CG LEU A 31 -1.268 -12.574 8.445 1.00 0.00 C ATOM 470 CD1 LEU A 31 -0.554 -12.672 9.784 1.00 0.00 C ATOM 471 CD2 LEU A 31 -2.295 -13.689 8.303 1.00 0.00 C ATOM 0 H LEU A 31 -0.356 -9.351 7.729 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.637 -11.389 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.490 -10.518 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.990 -11.301 8.554 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.528 -12.686 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.085 -13.652 9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.210 -11.897 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.274 -12.538 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.802 -14.655 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.059 -13.581 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.761 -13.631 7.319 1.00 0.00 H new ATOM 483 N VAL A 32 -3.902 -10.536 5.629 1.00 0.00 N ATOM 484 CA VAL A 32 -5.175 -9.986 5.168 1.00 0.00 C ATOM 485 C VAL A 32 -6.272 -11.046 5.186 1.00 0.00 C ATOM 486 O VAL A 32 -6.017 -12.215 4.911 1.00 0.00 O ATOM 487 CB VAL A 32 -5.030 -9.416 3.739 1.00 0.00 C ATOM 488 CG1 VAL A 32 -6.315 -8.752 3.272 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.869 -8.433 3.678 1.00 0.00 C ATOM 0 H VAL A 32 -3.655 -11.432 5.208 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.456 -9.184 5.850 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.824 -10.248 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.177 -8.362 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.123 -9.483 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.567 -7.933 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.778 -8.039 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.050 -7.612 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.946 -8.943 3.953 1.00 0.00 H new ATOM 499 N THR A 33 -7.495 -10.634 5.512 1.00 0.00 N ATOM 500 CA THR A 33 -8.625 -11.561 5.560 1.00 0.00 C ATOM 501 C THR A 33 -9.313 -11.655 4.198 1.00 0.00 C ATOM 502 O THR A 33 -9.053 -10.848 3.303 1.00 0.00 O ATOM 503 CB THR A 33 -9.634 -11.128 6.628 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.930 -9.747 6.515 1.00 0.00 O ATOM 505 CG2 THR A 33 -9.154 -11.378 8.041 1.00 0.00 C ATOM 0 H THR A 33 -7.729 -9.669 5.746 1.00 0.00 H new ATOM 0 HA THR A 33 -8.238 -12.546 5.821 1.00 0.00 H new ATOM 0 HB THR A 33 -10.520 -11.736 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.577 -9.494 7.206 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.916 -11.049 8.748 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.967 -12.443 8.179 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.233 -10.823 8.216 1.00 0.00 H new ATOM 513 N SER A 34 -10.195 -12.646 4.047 1.00 0.00 N ATOM 514 CA SER A 34 -10.925 -12.848 2.792 1.00 0.00 C ATOM 515 C SER A 34 -11.766 -11.621 2.439 1.00 0.00 C ATOM 516 O SER A 34 -11.866 -11.246 1.270 1.00 0.00 O ATOM 517 CB SER A 34 -11.832 -14.083 2.884 1.00 0.00 C ATOM 518 OG SER A 34 -11.917 -14.563 4.215 1.00 0.00 O ATOM 0 H SER A 34 -10.421 -13.321 4.777 1.00 0.00 H new ATOM 0 HA SER A 34 -10.187 -13.004 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.829 -13.832 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.446 -14.869 2.236 1.00 0.00 H new ATOM 0 HG SER A 34 -12.667 -15.190 4.289 1.00 0.00 H new ATOM 524 N GLN A 35 -12.371 -11.003 3.456 1.00 0.00 N ATOM 525 CA GLN A 35 -13.206 -9.823 3.252 1.00 0.00 C ATOM 526 C GLN A 35 -12.582 -8.582 3.897 1.00 0.00 C ATOM 527 O GLN A 35 -13.259 -7.822 4.593 1.00 0.00 O ATOM 528 CB GLN A 35 -14.609 -10.072 3.819 1.00 0.00 C ATOM 529 CG GLN A 35 -15.672 -10.277 2.750 1.00 0.00 C ATOM 530 CD GLN A 35 -17.077 -10.016 3.263 1.00 0.00 C ATOM 531 OE1 GLN A 35 -17.757 -9.106 2.794 1.00 0.00 O ATOM 532 NE2 GLN A 35 -17.519 -10.810 4.233 1.00 0.00 N ATOM 0 H GLN A 35 -12.297 -11.302 4.428 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.280 -9.638 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.580 -10.950 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.894 -9.226 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.468 -9.615 1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.611 -11.298 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.922 -11.554 4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.455 -10.675 4.616 1.00 0.00 H new ATOM 541 N ASP A 36 -11.287 -8.376 3.652 1.00 0.00 N ATOM 542 CA ASP A 36 -10.576 -7.222 4.203 1.00 0.00 C ATOM 543 C ASP A 36 -11.076 -5.923 3.569 1.00 0.00 C ATOM 544 O ASP A 36 -11.789 -5.948 2.562 1.00 0.00 O ATOM 545 CB ASP A 36 -9.067 -7.369 3.988 1.00 0.00 C ATOM 546 CG ASP A 36 -8.259 -6.852 5.163 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.133 -5.618 5.301 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.748 -7.682 5.944 1.00 0.00 O ATOM 0 H ASP A 36 -10.711 -8.991 3.077 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.774 -7.181 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.828 -8.419 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.778 -6.829 3.087 1.00 0.00 H new ATOM 553 N LYS A 37 -10.710 -4.793 4.168 1.00 0.00 N ATOM 554 CA LYS A 37 -11.136 -3.488 3.661 1.00 0.00 C ATOM 555 C LYS A 37 -9.991 -2.475 3.691 1.00 0.00 C ATOM 556 O LYS A 37 -9.080 -2.578 4.514 1.00 0.00 O ATOM 557 CB LYS A 37 -12.326 -2.962 4.470 1.00 0.00 C ATOM 558 CG LYS A 37 -13.472 -3.959 4.605 1.00 0.00 C ATOM 559 CD LYS A 37 -14.340 -3.992 3.355 1.00 0.00 C ATOM 560 CE LYS A 37 -14.978 -5.356 3.147 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.340 -6.100 2.026 1.00 0.00 N ATOM 0 H LYS A 37 -10.122 -4.752 5.001 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.442 -3.620 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.981 -2.683 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.701 -2.054 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.068 -4.954 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.085 -3.694 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.120 -3.234 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.735 -3.737 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.895 -5.939 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.041 -5.232 2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.931 -6.917 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.243 -5.472 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.400 -6.432 2.321 1.00 0.00 H new ATOM 575 N ALA A 38 -10.050 -1.503 2.775 1.00 0.00 N ATOM 576 CA ALA A 38 -9.022 -0.458 2.665 1.00 0.00 C ATOM 577 C ALA A 38 -8.552 0.063 4.031 1.00 0.00 C ATOM 578 O ALA A 38 -7.365 -0.017 4.344 1.00 0.00 O ATOM 579 CB ALA A 38 -9.526 0.692 1.801 1.00 0.00 C ATOM 0 H ALA A 38 -10.804 -1.417 2.093 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.155 -0.916 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.754 1.458 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.764 0.321 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.421 1.120 2.252 1.00 0.00 H new ATOM 585 N PRO A 39 -9.468 0.612 4.861 1.00 0.00 N ATOM 586 CA PRO A 39 -9.115 1.149 6.185 1.00 0.00 C ATOM 587 C PRO A 39 -8.327 0.159 7.045 1.00 0.00 C ATOM 588 O PRO A 39 -7.449 0.561 7.810 1.00 0.00 O ATOM 589 CB PRO A 39 -10.470 1.472 6.837 1.00 0.00 C ATOM 590 CG PRO A 39 -11.509 0.861 5.953 1.00 0.00 C ATOM 591 CD PRO A 39 -10.904 0.768 4.581 1.00 0.00 C ATOM 0 HA PRO A 39 -8.460 2.016 6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.525 1.062 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.615 2.549 6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.797 -0.125 6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.412 1.471 5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.300 -0.080 4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.105 1.662 3.990 1.00 0.00 H new ATOM 599 N ALA A 40 -8.636 -1.131 6.914 1.00 0.00 N ATOM 600 CA ALA A 40 -7.946 -2.168 7.679 1.00 0.00 C ATOM 601 C ALA A 40 -6.591 -2.503 7.056 1.00 0.00 C ATOM 602 O ALA A 40 -5.587 -2.620 7.764 1.00 0.00 O ATOM 603 CB ALA A 40 -8.811 -3.417 7.781 1.00 0.00 C ATOM 0 H ALA A 40 -9.359 -1.482 6.286 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.767 -1.784 8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.283 -4.180 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.748 -3.171 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.023 -3.796 6.781 1.00 0.00 H new ATOM 609 N VAL A 41 -6.567 -2.650 5.730 1.00 0.00 N ATOM 610 CA VAL A 41 -5.335 -2.964 5.010 1.00 0.00 C ATOM 611 C VAL A 41 -4.316 -1.834 5.147 1.00 0.00 C ATOM 612 O VAL A 41 -3.151 -2.078 5.464 1.00 0.00 O ATOM 613 CB VAL A 41 -5.619 -3.246 3.513 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.591 -2.580 2.601 1.00 0.00 C ATOM 615 CG2 VAL A 41 -5.671 -4.744 3.255 1.00 0.00 C ATOM 0 H VAL A 41 -7.389 -2.556 5.134 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.916 -3.865 5.457 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.591 -2.812 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.828 -2.804 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.614 -1.501 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.596 -2.959 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.871 -4.925 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.715 -5.193 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.464 -5.189 3.856 1.00 0.00 H new ATOM 625 N ILE A 42 -4.763 -0.596 4.918 1.00 0.00 N ATOM 626 CA ILE A 42 -3.882 0.562 5.028 1.00 0.00 C ATOM 627 C ILE A 42 -3.391 0.718 6.467 1.00 0.00 C ATOM 628 O ILE A 42 -2.231 1.062 6.700 1.00 0.00 O ATOM 629 CB ILE A 42 -4.571 1.866 4.563 1.00 0.00 C ATOM 630 CG1 ILE A 42 -5.097 1.721 3.130 1.00 0.00 C ATOM 631 CG2 ILE A 42 -3.602 3.040 4.647 1.00 0.00 C ATOM 632 CD1 ILE A 42 -6.296 2.593 2.832 1.00 0.00 C ATOM 0 H ILE A 42 -5.724 -0.374 4.657 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.033 0.385 4.368 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.415 2.058 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.297 1.968 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.364 0.679 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.103 3.950 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.269 3.164 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.741 2.847 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.612 2.437 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.112 2.332 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.029 3.640 2.975 1.00 0.00 H new ATOM 644 N ARG A 43 -4.273 0.431 7.431 1.00 0.00 N ATOM 645 CA ARG A 43 -3.918 0.509 8.845 1.00 0.00 C ATOM 646 C ARG A 43 -2.821 -0.509 9.163 1.00 0.00 C ATOM 647 O ARG A 43 -1.804 -0.166 9.764 1.00 0.00 O ATOM 648 CB ARG A 43 -5.152 0.259 9.721 1.00 0.00 C ATOM 649 CG ARG A 43 -4.896 0.423 11.214 1.00 0.00 C ATOM 650 CD ARG A 43 -5.198 1.839 11.690 1.00 0.00 C ATOM 651 NE ARG A 43 -6.597 2.216 11.463 1.00 0.00 N ATOM 652 CZ ARG A 43 -7.132 3.377 11.848 1.00 0.00 C ATOM 653 NH1 ARG A 43 -6.401 4.275 12.498 1.00 0.00 N ATOM 654 NH2 ARG A 43 -8.404 3.638 11.584 1.00 0.00 N ATOM 0 H ARG A 43 -5.235 0.143 7.254 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.543 1.510 9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.943 0.946 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.519 -0.750 9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.512 -0.285 11.768 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.856 0.180 11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.970 1.919 12.753 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.546 2.541 11.171 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.199 1.549 10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.422 4.081 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.819 5.159 12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.973 2.952 11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.814 4.525 11.877 1.00 0.00 H new ATOM 668 N LYS A 44 -3.029 -1.757 8.729 1.00 0.00 N ATOM 669 CA LYS A 44 -2.048 -2.822 8.945 1.00 0.00 C ATOM 670 C LYS A 44 -0.742 -2.504 8.215 1.00 0.00 C ATOM 671 O LYS A 44 0.348 -2.713 8.753 1.00 0.00 O ATOM 672 CB LYS A 44 -2.603 -4.168 8.467 1.00 0.00 C ATOM 673 CG LYS A 44 -3.612 -4.786 9.423 1.00 0.00 C ATOM 674 CD LYS A 44 -4.022 -6.181 8.974 1.00 0.00 C ATOM 675 CE LYS A 44 -5.358 -6.167 8.244 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.270 -6.817 6.906 1.00 0.00 N ATOM 0 H LYS A 44 -3.867 -2.052 8.227 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.844 -2.887 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.074 -4.032 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.775 -4.863 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.183 -4.836 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.494 -4.149 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.254 -6.593 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.088 -6.838 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.106 -6.680 8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.696 -5.137 8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.183 -7.256 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.036 -6.102 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.529 -7.547 6.923 1.00 0.00 H new ATOM 690 N ALA A 45 -0.860 -1.983 6.990 1.00 0.00 N ATOM 691 CA ALA A 45 0.310 -1.618 6.195 1.00 0.00 C ATOM 692 C ALA A 45 1.117 -0.526 6.895 1.00 0.00 C ATOM 693 O ALA A 45 2.349 -0.538 6.855 1.00 0.00 O ATOM 694 CB ALA A 45 -0.110 -1.171 4.799 1.00 0.00 C ATOM 0 H ALA A 45 -1.753 -1.806 6.530 1.00 0.00 H new ATOM 0 HA ALA A 45 0.946 -2.498 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.775 -0.903 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.637 -1.984 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.768 -0.306 4.877 1.00 0.00 H new ATOM 700 N MET A 46 0.415 0.406 7.554 1.00 0.00 N ATOM 701 CA MET A 46 1.070 1.493 8.284 1.00 0.00 C ATOM 702 C MET A 46 1.926 0.933 9.421 1.00 0.00 C ATOM 703 O MET A 46 2.997 1.460 9.711 1.00 0.00 O ATOM 704 CB MET A 46 0.031 2.495 8.821 1.00 0.00 C ATOM 705 CG MET A 46 -0.250 2.374 10.315 1.00 0.00 C ATOM 706 SD MET A 46 -1.810 3.137 10.796 1.00 0.00 S ATOM 707 CE MET A 46 -2.000 2.487 12.453 1.00 0.00 C ATOM 0 H MET A 46 -0.604 0.427 7.595 1.00 0.00 H new ATOM 0 HA MET A 46 1.724 2.026 7.594 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.378 3.507 8.610 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.903 2.358 8.276 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.265 1.320 10.593 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.564 2.839 10.872 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.798 3.025 12.966 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.251 1.428 12.402 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.067 2.612 13.002 1.00 0.00 H new ATOM 717 N ASP A 47 1.456 -0.151 10.051 1.00 0.00 N ATOM 718 CA ASP A 47 2.202 -0.784 11.137 1.00 0.00 C ATOM 719 C ASP A 47 3.581 -1.210 10.639 1.00 0.00 C ATOM 720 O ASP A 47 4.595 -0.960 11.293 1.00 0.00 O ATOM 721 CB ASP A 47 1.438 -1.994 11.687 1.00 0.00 C ATOM 722 CG ASP A 47 0.219 -1.595 12.495 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.393 -1.138 13.644 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.909 -1.742 11.981 1.00 0.00 O ATOM 0 H ASP A 47 0.569 -0.603 9.827 1.00 0.00 H new ATOM 0 HA ASP A 47 2.322 -0.062 11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.128 -2.631 10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.106 -2.587 12.312 1.00 0.00 H new ATOM 729 N LYS A 48 3.612 -1.830 9.456 1.00 0.00 N ATOM 730 CA LYS A 48 4.871 -2.263 8.850 1.00 0.00 C ATOM 731 C LYS A 48 5.603 -1.073 8.220 1.00 0.00 C ATOM 732 O LYS A 48 6.830 -1.079 8.108 1.00 0.00 O ATOM 733 CB LYS A 48 4.628 -3.353 7.798 1.00 0.00 C ATOM 734 CG LYS A 48 4.787 -4.766 8.339 1.00 0.00 C ATOM 735 CD LYS A 48 6.253 -5.140 8.504 1.00 0.00 C ATOM 736 CE LYS A 48 6.770 -4.789 9.893 1.00 0.00 C ATOM 737 NZ LYS A 48 7.817 -3.729 9.848 1.00 0.00 N ATOM 0 H LYS A 48 2.782 -2.042 8.902 1.00 0.00 H new ATOM 0 HA LYS A 48 5.497 -2.681 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.622 -3.239 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.323 -3.209 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.279 -4.848 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.305 -5.472 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.378 -6.208 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.848 -4.621 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.940 -4.453 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.179 -5.683 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.888 -3.271 10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.733 -4.156 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.562 -3.019 9.132 1.00 0.00 H new ATOM 751 N HIS A 49 4.835 -0.051 7.824 1.00 0.00 N ATOM 752 CA HIS A 49 5.382 1.157 7.223 1.00 0.00 C ATOM 753 C HIS A 49 5.257 2.329 8.194 1.00 0.00 C ATOM 754 O HIS A 49 4.801 3.411 7.822 1.00 0.00 O ATOM 755 CB HIS A 49 4.634 1.483 5.934 1.00 0.00 C ATOM 756 CG HIS A 49 4.874 0.510 4.828 1.00 0.00 C ATOM 757 ND1 HIS A 49 5.642 0.613 3.725 1.00 0.00 N flip ATOM 758 CD2 HIS A 49 4.289 -0.734 4.775 1.00 0.00 C flip ATOM 759 CE1 HIS A 49 5.515 -0.561 3.026 1.00 0.00 C flip ATOM 760 NE2 HIS A 49 4.692 -1.357 3.683 1.00 0.00 N flip ATOM 0 H HIS A 49 3.819 -0.044 7.914 1.00 0.00 H new ATOM 0 HA HIS A 49 6.435 0.989 6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.565 1.520 6.146 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.927 2.478 5.598 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.212 1.416 3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.608 -1.137 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.007 -0.795 2.093 1.00 0.00 H new ATOM 769 N ASN A 50 5.648 2.104 9.447 1.00 0.00 N ATOM 770 CA ASN A 50 5.563 3.141 10.477 1.00 0.00 C ATOM 771 C ASN A 50 6.634 4.221 10.274 1.00 0.00 C ATOM 772 O ASN A 50 7.399 4.538 11.188 1.00 0.00 O ATOM 773 CB ASN A 50 5.677 2.520 11.878 1.00 0.00 C ATOM 774 CG ASN A 50 4.685 3.116 12.866 1.00 0.00 C ATOM 775 OD1 ASN A 50 3.893 2.392 13.468 1.00 0.00 O ATOM 776 ND2 ASN A 50 4.716 4.437 13.045 1.00 0.00 N ATOM 0 H ASN A 50 6.026 1.215 9.774 1.00 0.00 H new ATOM 0 HA ASN A 50 4.588 3.621 10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.513 1.445 11.809 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.690 2.665 12.254 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.069 4.878 13.699 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.387 5.006 12.528 1.00 0.00 H new ATOM 783 N LEU A 51 6.669 4.791 9.068 1.00 0.00 N ATOM 784 CA LEU A 51 7.624 5.842 8.727 1.00 0.00 C ATOM 785 C LEU A 51 6.930 6.942 7.925 1.00 0.00 C ATOM 786 O LEU A 51 7.012 6.977 6.695 1.00 0.00 O ATOM 787 CB LEU A 51 8.799 5.261 7.931 1.00 0.00 C ATOM 788 CG LEU A 51 9.584 4.156 8.645 1.00 0.00 C ATOM 789 CD1 LEU A 51 9.453 2.838 7.896 1.00 0.00 C ATOM 790 CD2 LEU A 51 11.047 4.547 8.787 1.00 0.00 C ATOM 0 H LEU A 51 6.040 4.538 8.306 1.00 0.00 H new ATOM 0 HA LEU A 51 8.013 6.273 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.419 4.865 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.485 6.071 7.683 1.00 0.00 H new ATOM 0 HG LEU A 51 9.165 4.027 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.017 2.065 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.403 2.550 7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.845 2.953 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.589 3.750 9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.479 4.705 7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.123 5.466 9.368 1.00 0.00 H new ATOM 802 N GLU A 52 6.234 7.833 8.635 1.00 0.00 N ATOM 803 CA GLU A 52 5.503 8.935 8.004 1.00 0.00 C ATOM 804 C GLU A 52 4.438 8.411 7.028 1.00 0.00 C ATOM 805 O GLU A 52 4.063 9.096 6.072 1.00 0.00 O ATOM 806 CB GLU A 52 6.479 9.862 7.280 1.00 0.00 C ATOM 807 CG GLU A 52 7.428 10.598 8.215 1.00 0.00 C ATOM 808 CD GLU A 52 8.761 9.894 8.371 1.00 0.00 C ATOM 809 OE1 GLU A 52 9.644 10.097 7.512 1.00 0.00 O ATOM 810 OE2 GLU A 52 8.923 9.140 9.354 1.00 0.00 O ATOM 0 H GLU A 52 6.161 7.812 9.652 1.00 0.00 H new ATOM 0 HA GLU A 52 4.991 9.496 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.063 9.277 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.913 10.592 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.597 11.606 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.960 10.701 9.194 1.00 0.00 H new ATOM 817 N GLU A 53 3.954 7.195 7.288 1.00 0.00 N ATOM 818 CA GLU A 53 2.932 6.565 6.454 1.00 0.00 C ATOM 819 C GLU A 53 1.764 6.063 7.313 1.00 0.00 C ATOM 820 O GLU A 53 1.149 5.038 7.001 1.00 0.00 O ATOM 821 CB GLU A 53 3.541 5.399 5.662 1.00 0.00 C ATOM 822 CG GLU A 53 4.738 5.792 4.805 1.00 0.00 C ATOM 823 CD GLU A 53 5.729 4.658 4.608 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.442 4.313 5.573 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.797 4.117 3.485 1.00 0.00 O ATOM 0 H GLU A 53 4.257 6.624 8.077 1.00 0.00 H new ATOM 0 HA GLU A 53 2.552 7.310 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.847 4.619 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.773 4.969 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.384 6.130 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.248 6.636 5.270 1.00 0.00 H new ATOM 832 N GLU A 54 1.466 6.786 8.396 1.00 0.00 N ATOM 833 CA GLU A 54 0.380 6.407 9.301 1.00 0.00 C ATOM 834 C GLU A 54 -0.913 7.153 8.972 1.00 0.00 C ATOM 835 O GLU A 54 -1.355 8.026 9.724 1.00 0.00 O ATOM 836 CB GLU A 54 0.787 6.660 10.756 1.00 0.00 C ATOM 837 CG GLU A 54 1.672 5.565 11.329 1.00 0.00 C ATOM 838 CD GLU A 54 1.405 5.304 12.799 1.00 0.00 C ATOM 839 OE1 GLU A 54 0.417 4.607 13.108 1.00 0.00 O ATOM 840 OE2 GLU A 54 2.185 5.798 13.641 1.00 0.00 O ATOM 0 H GLU A 54 1.961 7.636 8.666 1.00 0.00 H new ATOM 0 HA GLU A 54 0.191 5.342 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.312 7.613 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.111 6.750 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.514 4.645 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.718 5.843 11.198 1.00 0.00 H new ATOM 847 N GLU A 55 -1.522 6.785 7.847 1.00 0.00 N ATOM 848 CA GLU A 55 -2.776 7.394 7.407 1.00 0.00 C ATOM 849 C GLU A 55 -3.698 6.325 6.802 1.00 0.00 C ATOM 850 O GLU A 55 -3.911 6.283 5.591 1.00 0.00 O ATOM 851 CB GLU A 55 -2.501 8.511 6.393 1.00 0.00 C ATOM 852 CG GLU A 55 -1.734 9.691 6.978 1.00 0.00 C ATOM 853 CD GLU A 55 -0.420 9.950 6.265 1.00 0.00 C ATOM 854 OE1 GLU A 55 0.540 9.178 6.482 1.00 0.00 O ATOM 855 OE2 GLU A 55 -0.351 10.927 5.488 1.00 0.00 O ATOM 0 H GLU A 55 -1.165 6.064 7.220 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.276 7.834 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.936 8.100 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.450 8.868 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.355 10.585 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.538 9.504 8.034 1.00 0.00 H new ATOM 862 N PRO A 56 -4.241 5.429 7.655 1.00 0.00 N ATOM 863 CA PRO A 56 -5.126 4.328 7.234 1.00 0.00 C ATOM 864 C PRO A 56 -6.243 4.747 6.273 1.00 0.00 C ATOM 865 O PRO A 56 -6.615 3.985 5.383 1.00 0.00 O ATOM 866 CB PRO A 56 -5.724 3.807 8.553 1.00 0.00 C ATOM 867 CG PRO A 56 -5.271 4.755 9.616 1.00 0.00 C ATOM 868 CD PRO A 56 -4.021 5.403 9.104 1.00 0.00 C ATOM 0 HA PRO A 56 -4.562 3.584 6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.812 3.771 8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.382 2.794 8.763 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.038 5.501 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.080 4.227 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.889 6.405 9.511 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.131 4.831 9.368 1.00 0.00 H new ATOM 876 N GLU A 57 -6.781 5.947 6.459 1.00 0.00 N ATOM 877 CA GLU A 57 -7.861 6.447 5.605 1.00 0.00 C ATOM 878 C GLU A 57 -7.361 7.535 4.647 1.00 0.00 C ATOM 879 O GLU A 57 -8.006 8.575 4.478 1.00 0.00 O ATOM 880 CB GLU A 57 -9.007 6.978 6.470 1.00 0.00 C ATOM 881 CG GLU A 57 -8.572 8.044 7.463 1.00 0.00 C ATOM 882 CD GLU A 57 -8.190 7.470 8.816 1.00 0.00 C ATOM 883 OE1 GLU A 57 -9.095 7.026 9.554 1.00 0.00 O ATOM 884 OE2 GLU A 57 -6.982 7.465 9.135 1.00 0.00 O ATOM 0 H GLU A 57 -6.490 6.594 7.192 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.226 5.618 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.780 7.390 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.456 6.147 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.723 8.591 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.381 8.763 7.594 1.00 0.00 H new ATOM 891 N ASP A 58 -6.206 7.293 4.028 1.00 0.00 N ATOM 892 CA ASP A 58 -5.619 8.256 3.098 1.00 0.00 C ATOM 893 C ASP A 58 -4.736 7.588 2.042 1.00 0.00 C ATOM 894 O ASP A 58 -3.630 8.062 1.769 1.00 0.00 O ATOM 895 CB ASP A 58 -4.789 9.268 3.877 1.00 0.00 C ATOM 896 CG ASP A 58 -4.760 10.638 3.224 1.00 0.00 C ATOM 897 OD1 ASP A 58 -5.801 11.063 2.674 1.00 0.00 O ATOM 898 OD2 ASP A 58 -3.694 11.287 3.259 1.00 0.00 O ATOM 0 H ASP A 58 -5.660 6.441 4.153 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.440 8.747 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.192 9.361 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.769 8.896 3.974 1.00 0.00 H new ATOM 903 N TYR A 59 -5.200 6.487 1.455 1.00 0.00 N ATOM 904 CA TYR A 59 -4.400 5.788 0.452 1.00 0.00 C ATOM 905 C TYR A 59 -5.228 5.230 -0.706 1.00 0.00 C ATOM 906 O TYR A 59 -6.447 5.089 -0.623 1.00 0.00 O ATOM 907 CB TYR A 59 -3.648 4.639 1.114 1.00 0.00 C ATOM 908 CG TYR A 59 -2.446 5.070 1.911 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.600 5.734 3.115 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.163 4.807 1.462 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.511 6.126 3.855 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.062 5.193 2.199 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.241 5.853 3.396 1.00 0.00 C ATOM 914 OH TYR A 59 0.850 6.234 4.137 1.00 0.00 O ATOM 0 H TYR A 59 -6.108 6.066 1.651 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.714 6.525 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.332 4.101 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.328 3.937 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.594 5.948 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.022 4.293 0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.650 6.645 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.934 4.979 1.840 1.00 0.00 H new ATOM 0 HH TYR A 59 0.551 6.605 4.993 1.00 0.00 H new ATOM 924 N GLU A 60 -4.511 4.870 -1.767 1.00 0.00 N ATOM 925 CA GLU A 60 -5.084 4.266 -2.962 1.00 0.00 C ATOM 926 C GLU A 60 -4.434 2.902 -3.168 1.00 0.00 C ATOM 927 O GLU A 60 -3.208 2.777 -3.084 1.00 0.00 O ATOM 928 CB GLU A 60 -4.852 5.151 -4.189 1.00 0.00 C ATOM 929 CG GLU A 60 -6.122 5.784 -4.729 1.00 0.00 C ATOM 930 CD GLU A 60 -6.142 5.862 -6.243 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.452 6.742 -6.803 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.844 5.043 -6.871 1.00 0.00 O ATOM 0 H GLU A 60 -3.500 4.993 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.161 4.157 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.145 5.939 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.390 4.554 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.983 5.209 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.226 6.788 -4.317 1.00 0.00 H new ATOM 939 N LEU A 61 -5.241 1.876 -3.399 1.00 0.00 N ATOM 940 CA LEU A 61 -4.709 0.528 -3.567 1.00 0.00 C ATOM 941 C LEU A 61 -4.510 0.150 -5.034 1.00 0.00 C ATOM 942 O LEU A 61 -5.418 0.279 -5.852 1.00 0.00 O ATOM 943 CB LEU A 61 -5.624 -0.490 -2.883 1.00 0.00 C ATOM 944 CG LEU A 61 -4.998 -1.222 -1.697 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.592 -0.731 -0.387 1.00 0.00 C ATOM 946 CD2 LEU A 61 -5.184 -2.725 -1.841 1.00 0.00 C ATOM 0 H LEU A 61 -6.256 1.948 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.726 0.515 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.523 0.023 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.939 -1.227 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.929 -1.007 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.132 -1.266 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.404 0.337 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.667 -0.912 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.732 -3.231 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.248 -2.958 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.705 -3.065 -2.759 1.00 0.00 H new ATOM 958 N LEU A 62 -3.312 -0.345 -5.342 1.00 0.00 N ATOM 959 CA LEU A 62 -2.962 -0.785 -6.694 1.00 0.00 C ATOM 960 C LEU A 62 -2.406 -2.206 -6.636 1.00 0.00 C ATOM 961 O LEU A 62 -1.730 -2.558 -5.677 1.00 0.00 O ATOM 962 CB LEU A 62 -1.931 0.158 -7.320 1.00 0.00 C ATOM 963 CG LEU A 62 -2.346 1.631 -7.385 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.963 2.356 -6.105 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.709 2.307 -8.591 1.00 0.00 C ATOM 0 H LEU A 62 -2.558 -0.453 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.858 -0.769 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.003 0.084 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.715 -0.186 -8.331 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.430 1.678 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.267 3.400 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.463 1.887 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.883 2.301 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.013 3.353 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.624 2.247 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.034 1.806 -9.503 1.00 0.00 H new ATOM 977 N GLN A 63 -2.698 -3.028 -7.644 1.00 0.00 N ATOM 978 CA GLN A 63 -2.216 -4.413 -7.648 1.00 0.00 C ATOM 979 C GLN A 63 -1.489 -4.782 -8.934 1.00 0.00 C ATOM 980 O GLN A 63 -1.807 -4.282 -10.012 1.00 0.00 O ATOM 981 CB GLN A 63 -3.374 -5.394 -7.428 1.00 0.00 C ATOM 982 CG GLN A 63 -3.162 -6.337 -6.253 1.00 0.00 C ATOM 983 CD GLN A 63 -2.139 -7.418 -6.542 1.00 0.00 C ATOM 984 OE1 GLN A 63 -0.939 -7.167 -6.525 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.607 -8.631 -6.807 1.00 0.00 N ATOM 0 H GLN A 63 -3.256 -2.767 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.503 -4.486 -6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.292 -4.829 -7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.517 -5.983 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.840 -5.762 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.112 -6.803 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.613 -8.800 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.961 -9.395 -7.006 1.00 0.00 H new ATOM 994 N ILE A 64 -0.527 -5.691 -8.794 1.00 0.00 N ATOM 995 CA ILE A 64 0.253 -6.192 -9.917 1.00 0.00 C ATOM 996 C ILE A 64 0.041 -7.702 -10.048 1.00 0.00 C ATOM 997 O ILE A 64 0.350 -8.461 -9.123 1.00 0.00 O ATOM 998 CB ILE A 64 1.757 -5.906 -9.731 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.015 -4.399 -9.666 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.563 -6.540 -10.859 1.00 0.00 C ATOM 1001 CD1 ILE A 64 3.290 -4.035 -8.937 1.00 0.00 C ATOM 0 H ILE A 64 -0.268 -6.100 -7.896 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.084 -5.681 -10.819 1.00 0.00 H new ATOM 0 HB ILE A 64 2.077 -6.348 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.060 -4.002 -10.680 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.173 -3.915 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.622 -6.329 -10.713 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.405 -7.618 -10.858 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.239 -6.127 -11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.408 -2.951 -8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.240 -4.401 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.141 -4.490 -9.444 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.504 -8.131 -11.188 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.776 -9.545 -11.428 1.00 0.00 C ATOM 1015 C LEU A 65 -0.302 -9.972 -12.822 1.00 0.00 C ATOM 1016 O LEU A 65 0.426 -9.242 -13.493 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.280 -9.813 -11.270 1.00 0.00 C ATOM 1018 CG LEU A 65 -2.856 -9.494 -9.887 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.142 -8.693 -10.007 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.100 -10.774 -9.107 1.00 0.00 C ATOM 0 H LEU A 65 -0.765 -7.517 -11.959 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.224 -10.133 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.818 -9.226 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.471 -10.863 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.128 -8.889 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.532 -8.479 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.940 -7.756 -10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.878 -9.268 -10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.509 -10.530 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.807 -11.402 -9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.159 -11.310 -8.984 1.00 0.00 H new ATOM 1032 N SER A 66 -0.733 -11.159 -13.249 1.00 0.00 N ATOM 1033 CA SER A 66 -0.375 -11.692 -14.563 1.00 0.00 C ATOM 1034 C SER A 66 -1.510 -11.437 -15.547 1.00 0.00 C ATOM 1035 O SER A 66 -1.362 -10.657 -16.490 1.00 0.00 O ATOM 1036 CB SER A 66 -0.072 -13.193 -14.473 1.00 0.00 C ATOM 1037 OG SER A 66 -1.082 -13.878 -13.749 1.00 0.00 O ATOM 0 H SER A 66 -1.334 -11.773 -12.700 1.00 0.00 H new ATOM 0 HA SER A 66 0.523 -11.185 -14.916 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.007 -13.611 -15.476 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.892 -13.344 -13.988 1.00 0.00 H new ATOM 0 HG SER A 66 -0.865 -14.833 -13.708 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.653 -12.075 -15.297 1.00 0.00 N ATOM 1044 CA ASP A 67 -3.835 -11.894 -16.138 1.00 0.00 C ATOM 1045 C ASP A 67 -4.338 -10.452 -16.032 1.00 0.00 C ATOM 1046 O ASP A 67 -4.957 -9.928 -16.960 1.00 0.00 O ATOM 1047 CB ASP A 67 -4.937 -12.874 -15.724 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.485 -14.321 -15.788 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -3.810 -14.776 -14.839 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -4.802 -14.998 -16.787 1.00 0.00 O ATOM 0 H ASP A 67 -2.785 -12.721 -14.519 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.564 -12.096 -17.174 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.261 -12.643 -14.709 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.802 -12.738 -16.374 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.037 -9.813 -14.897 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.419 -8.429 -14.652 1.00 0.00 C ATOM 1057 C ASP A 68 -3.176 -7.613 -14.301 1.00 0.00 C ATOM 1058 O ASP A 68 -3.100 -7.000 -13.233 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.454 -8.352 -13.525 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.767 -9.009 -13.902 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -7.619 -8.327 -14.508 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -6.941 -10.206 -13.591 1.00 0.00 O ATOM 0 H ASP A 68 -3.523 -10.244 -14.128 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.872 -8.015 -15.553 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.053 -8.833 -12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.633 -7.307 -13.270 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.198 -7.654 -15.218 1.00 0.00 N ATOM 1068 CA ARG A 69 -0.903 -6.963 -15.081 1.00 0.00 C ATOM 1069 C ARG A 69 -0.880 -5.941 -13.943 1.00 0.00 C ATOM 1070 O ARG A 69 -0.156 -6.123 -12.966 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.498 -6.291 -16.403 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.667 -5.854 -17.286 1.00 0.00 C ATOM 1073 CD ARG A 69 -1.793 -6.712 -18.542 1.00 0.00 C ATOM 1074 NE ARG A 69 -0.513 -6.873 -19.241 1.00 0.00 N ATOM 1075 CZ ARG A 69 0.253 -7.966 -19.175 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -0.105 -9.007 -18.430 1.00 0.00 N ATOM 1077 NH2 ARG A 69 1.388 -8.015 -19.857 1.00 0.00 N ATOM 0 H ARG A 69 -2.284 -8.176 -16.090 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.176 -7.734 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.115 -5.418 -16.178 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.127 -6.982 -16.968 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.593 -5.912 -16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.534 -4.811 -17.573 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.181 -7.694 -18.271 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.518 -6.258 -19.218 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.185 -6.097 -19.817 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.975 -8.979 -17.898 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.490 -9.834 -18.390 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.674 -7.221 -20.429 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.976 -8.847 -19.810 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.667 -4.875 -14.067 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.720 -3.845 -13.033 1.00 0.00 C ATOM 1093 C LYS A 70 -3.122 -3.243 -12.914 1.00 0.00 C ATOM 1094 O LYS A 70 -3.760 -2.921 -13.919 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.697 -2.746 -13.323 1.00 0.00 C ATOM 1096 CG LYS A 70 0.575 -2.860 -12.496 1.00 0.00 C ATOM 1097 CD LYS A 70 1.584 -3.791 -13.152 1.00 0.00 C ATOM 1098 CE LYS A 70 2.871 -3.066 -13.506 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.871 -3.129 -12.401 1.00 0.00 N ATOM 0 H LYS A 70 -2.274 -4.702 -14.869 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.475 -4.317 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.436 -2.775 -14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.156 -1.776 -13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.018 -1.872 -12.370 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.331 -3.230 -11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.806 -4.619 -12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.149 -4.221 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.299 -3.506 -14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.649 -2.024 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.758 -2.681 -12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.501 -2.627 -11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.053 -4.123 -12.154 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.587 -3.094 -11.675 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.908 -2.530 -11.394 1.00 0.00 C ATOM 1115 C LEU A 71 -4.823 -1.496 -10.267 1.00 0.00 C ATOM 1116 O LEU A 71 -3.871 -1.502 -9.485 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.886 -3.649 -11.015 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.607 -4.332 -9.671 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -6.504 -3.767 -8.582 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.795 -5.837 -9.791 1.00 0.00 C ATOM 0 H LEU A 71 -3.063 -3.359 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.272 -2.030 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.894 -3.236 -10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.869 -4.406 -11.799 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.571 -4.133 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.288 -4.266 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.320 -2.698 -8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.548 -3.931 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.593 -6.307 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.820 -6.053 -10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.107 -6.231 -10.539 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.813 -0.605 -10.186 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.826 0.426 -9.150 1.00 0.00 C ATOM 1134 C LYS A 72 -7.248 0.741 -8.683 1.00 0.00 C ATOM 1135 O LYS A 72 -8.178 0.824 -9.489 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.141 1.695 -9.666 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.455 2.942 -8.852 1.00 0.00 C ATOM 1138 CD LYS A 72 -5.151 4.212 -9.631 1.00 0.00 C ATOM 1139 CE LYS A 72 -3.848 4.851 -9.175 1.00 0.00 C ATOM 1140 NZ LYS A 72 -3.966 6.331 -9.055 1.00 0.00 N ATOM 0 H LYS A 72 -6.611 -0.577 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.276 0.044 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.062 1.538 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.442 1.863 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.506 2.934 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.873 2.932 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.091 3.981 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.969 4.922 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.555 4.431 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.057 4.606 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.036 6.767 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.640 6.684 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.305 6.576 -8.103 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.398 0.923 -7.372 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.688 1.240 -6.765 1.00 0.00 C ATOM 1156 C ILE A 73 -8.552 2.421 -5.797 1.00 0.00 C ATOM 1157 O ILE A 73 -7.591 2.493 -5.027 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.264 0.021 -6.004 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.397 -1.187 -6.940 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.609 0.357 -5.369 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.439 -1.014 -8.027 1.00 0.00 C ATOM 0 H ILE A 73 -6.631 0.855 -6.703 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.372 1.507 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.568 -0.236 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.431 -1.381 -7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.648 -2.067 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.991 -0.517 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.484 1.180 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.316 0.649 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.472 -1.911 -8.646 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.416 -0.851 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.180 -0.155 -8.646 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.517 3.367 -5.827 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.504 4.551 -4.949 1.00 0.00 C ATOM 1175 C PRO A 74 -9.539 4.187 -3.461 1.00 0.00 C ATOM 1176 O PRO A 74 -9.517 3.009 -3.099 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.779 5.312 -5.348 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.633 4.308 -6.044 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.689 3.356 -6.718 1.00 0.00 C ATOM 0 HA PRO A 74 -8.589 5.131 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.285 5.719 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.547 6.153 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.275 3.784 -5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.287 4.789 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.118 2.358 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.434 3.686 -7.725 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.592 5.213 -2.603 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.632 5.023 -1.146 1.00 0.00 C ATOM 1189 C GLU A 75 -10.602 3.909 -0.737 1.00 0.00 C ATOM 1190 O GLU A 75 -10.362 3.205 0.245 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.023 6.330 -0.451 1.00 0.00 C ATOM 1192 CG GLU A 75 -8.881 6.981 0.317 1.00 0.00 C ATOM 1193 CD GLU A 75 -8.823 6.539 1.766 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -9.636 7.039 2.572 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -7.964 5.693 2.095 1.00 0.00 O ATOM 0 H GLU A 75 -9.608 6.190 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.632 4.725 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.393 7.032 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.846 6.133 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.937 6.739 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.992 8.065 0.276 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.686 3.744 -1.498 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.676 2.704 -1.209 1.00 0.00 C ATOM 1204 C ASN A 76 -12.221 1.343 -1.760 1.00 0.00 C ATOM 1205 O ASN A 76 -12.980 0.642 -2.440 1.00 0.00 O ATOM 1206 CB ASN A 76 -14.051 3.084 -1.782 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.987 3.558 -3.227 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -13.991 2.751 -4.154 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -13.926 4.872 -3.428 1.00 0.00 N ATOM 0 H ASN A 76 -11.900 4.315 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.766 2.620 -0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.715 2.222 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.489 3.870 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.880 5.241 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.925 5.510 -2.632 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.980 0.961 -1.445 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.425 -0.315 -1.898 1.00 0.00 C ATOM 1218 C ALA A 77 -10.939 -1.501 -1.071 1.00 0.00 C ATOM 1219 O ALA A 77 -10.253 -2.515 -0.937 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.904 -0.258 -1.866 1.00 0.00 C ATOM 0 H ALA A 77 -10.341 1.518 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.761 -0.476 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.497 -1.211 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.556 0.539 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.569 -0.061 -0.848 1.00 0.00 H new ATOM 1226 N ASN A 78 -12.157 -1.380 -0.540 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.769 -2.444 0.247 1.00 0.00 C ATOM 1228 C ASN A 78 -13.027 -3.677 -0.624 1.00 0.00 C ATOM 1229 O ASN A 78 -12.889 -4.812 -0.166 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.071 -1.923 0.886 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.334 -2.498 0.264 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.696 -3.647 0.513 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.015 -1.695 -0.545 1.00 0.00 N ATOM 0 H ASN A 78 -12.739 -0.549 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.088 -2.745 1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.062 -2.159 1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.097 -0.837 0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.873 -2.025 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.680 -0.749 -0.725 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.399 -3.435 -1.885 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.676 -4.518 -2.837 1.00 0.00 C ATOM 1242 C VAL A 79 -12.410 -4.972 -3.581 1.00 0.00 C ATOM 1243 O VAL A 79 -12.390 -6.047 -4.181 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.743 -4.096 -3.873 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.362 -5.319 -4.538 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.819 -3.241 -3.218 1.00 0.00 C ATOM 0 H VAL A 79 -13.516 -2.498 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.052 -5.353 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.253 -3.500 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -16.110 -4.999 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.585 -5.889 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.835 -5.945 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.560 -2.954 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.304 -3.811 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.365 -2.345 -2.795 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.361 -4.146 -3.534 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.085 -4.440 -4.195 1.00 0.00 C ATOM 1258 C PHE A 80 -9.604 -5.873 -3.915 1.00 0.00 C ATOM 1259 O PHE A 80 -9.156 -6.575 -4.825 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.041 -3.420 -3.716 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.653 -3.621 -4.257 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -6.941 -4.776 -3.982 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -7.053 -2.639 -5.024 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.662 -4.947 -4.464 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.771 -2.802 -5.503 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.074 -3.957 -5.224 1.00 0.00 C ATOM 0 H PHE A 80 -11.372 -3.255 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.225 -4.363 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.380 -2.421 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.997 -3.453 -2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.394 -5.552 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.596 -1.733 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.120 -5.856 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.313 -2.025 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.070 -4.087 -5.599 1.00 0.00 H new ATOM 1276 N TYR A 81 -9.685 -6.288 -2.653 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.241 -7.624 -2.235 1.00 0.00 C ATOM 1278 C TYR A 81 -10.143 -8.726 -2.784 1.00 0.00 C ATOM 1279 O TYR A 81 -9.692 -9.851 -2.999 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.165 -7.689 -0.708 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.695 -6.387 -0.111 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -7.372 -5.988 -0.232 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -9.584 -5.536 0.526 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -6.950 -4.774 0.265 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -9.168 -4.327 1.033 1.00 0.00 C ATOM 1286 CZ TYR A 81 -7.851 -3.949 0.898 1.00 0.00 C ATOM 1287 OH TYR A 81 -7.440 -2.733 1.382 1.00 0.00 O ATOM 0 H TYR A 81 -10.056 -5.717 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.248 -7.795 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.147 -7.939 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.487 -8.489 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.663 -6.638 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.619 -5.827 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.919 -4.472 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.871 -3.678 1.534 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.818 -2.017 0.830 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.409 -8.398 -3.036 1.00 0.00 N ATOM 1298 CA ALA A 82 -12.352 -9.364 -3.587 1.00 0.00 C ATOM 1299 C ALA A 82 -12.409 -9.260 -5.117 1.00 0.00 C ATOM 1300 O ALA A 82 -13.420 -9.608 -5.731 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.733 -9.152 -2.981 1.00 0.00 C ATOM 0 H ALA A 82 -11.803 -7.472 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.009 -10.367 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.429 -9.879 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.680 -9.281 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.080 -8.144 -3.209 1.00 0.00 H new ATOM 1307 N MET A 83 -11.320 -8.773 -5.724 1.00 0.00 N ATOM 1308 CA MET A 83 -11.250 -8.615 -7.177 1.00 0.00 C ATOM 1309 C MET A 83 -9.871 -8.991 -7.731 1.00 0.00 C ATOM 1310 O MET A 83 -9.776 -9.693 -8.738 1.00 0.00 O ATOM 1311 CB MET A 83 -11.588 -7.171 -7.567 1.00 0.00 C ATOM 1312 CG MET A 83 -13.045 -6.799 -7.331 1.00 0.00 C ATOM 1313 SD MET A 83 -14.165 -7.595 -8.499 1.00 0.00 S ATOM 1314 CE MET A 83 -13.857 -6.629 -9.976 1.00 0.00 C ATOM 0 H MET A 83 -10.477 -8.482 -5.229 1.00 0.00 H new ATOM 0 HA MET A 83 -11.981 -9.296 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.952 -6.492 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.350 -7.023 -8.621 1.00 0.00 H new ATOM 0 HG2 MET A 83 -13.327 -7.078 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.156 -5.717 -7.407 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.629 -6.840 -10.716 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.874 -5.568 -9.727 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.881 -6.890 -10.385 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.805 -8.511 -7.082 1.00 0.00 N ATOM 1325 CA ASN A 84 -7.439 -8.791 -7.535 1.00 0.00 C ATOM 1326 C ASN A 84 -6.990 -10.216 -7.184 1.00 0.00 C ATOM 1327 O ASN A 84 -6.188 -10.805 -7.907 1.00 0.00 O ATOM 1328 CB ASN A 84 -6.461 -7.778 -6.923 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.958 -8.211 -5.559 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.900 -8.824 -5.443 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.719 -7.907 -4.521 1.00 0.00 N ATOM 0 H ASN A 84 -8.861 -7.930 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.437 -8.701 -8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.613 -7.645 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.953 -6.809 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.434 -8.183 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.591 -7.396 -4.660 1.00 0.00 H new ATOM 1338 N SER A 85 -7.487 -10.750 -6.063 1.00 0.00 N ATOM 1339 CA SER A 85 -7.116 -12.095 -5.608 1.00 0.00 C ATOM 1340 C SER A 85 -7.346 -13.153 -6.694 1.00 0.00 C ATOM 1341 O SER A 85 -8.450 -13.684 -6.829 1.00 0.00 O ATOM 1342 CB SER A 85 -7.904 -12.469 -4.345 1.00 0.00 C ATOM 1343 OG SER A 85 -7.757 -11.480 -3.338 1.00 0.00 O ATOM 0 H SER A 85 -8.149 -10.270 -5.453 1.00 0.00 H new ATOM 0 HA SER A 85 -6.050 -12.075 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.959 -12.586 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.557 -13.431 -3.968 1.00 0.00 H new ATOM 0 HG SER A 85 -8.606 -11.004 -3.221 1.00 0.00 H new ATOM 1349 N THR A 86 -6.295 -13.457 -7.465 1.00 0.00 N ATOM 1350 CA THR A 86 -6.386 -14.456 -8.534 1.00 0.00 C ATOM 1351 C THR A 86 -5.132 -15.339 -8.595 1.00 0.00 C ATOM 1352 O THR A 86 -5.239 -16.561 -8.701 1.00 0.00 O ATOM 1353 CB THR A 86 -6.642 -13.782 -9.893 1.00 0.00 C ATOM 1354 OG1 THR A 86 -6.773 -14.752 -10.919 1.00 0.00 O ATOM 1355 CG2 THR A 86 -5.561 -12.808 -10.320 1.00 0.00 C ATOM 0 H THR A 86 -5.375 -13.027 -7.368 1.00 0.00 H new ATOM 0 HA THR A 86 -7.233 -15.103 -8.304 1.00 0.00 H new ATOM 0 HB THR A 86 -7.565 -13.219 -9.750 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.937 -14.303 -11.775 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.820 -12.378 -11.288 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.476 -12.012 -9.581 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.609 -13.333 -10.399 1.00 0.00 H new ATOM 1363 N ALA A 87 -3.948 -14.722 -8.528 1.00 0.00 N ATOM 1364 CA ALA A 87 -2.690 -15.468 -8.575 1.00 0.00 C ATOM 1365 C ALA A 87 -1.601 -14.777 -7.753 1.00 0.00 C ATOM 1366 O ALA A 87 -1.163 -15.297 -6.726 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.240 -15.652 -10.019 1.00 0.00 C ATOM 0 H ALA A 87 -3.836 -13.712 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.862 -16.450 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.303 -16.208 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.002 -16.203 -10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.093 -14.676 -10.481 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.175 -13.603 -8.217 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.139 -12.828 -7.533 1.00 0.00 C ATOM 1375 C ASN A 88 -0.764 -11.850 -6.535 1.00 0.00 C ATOM 1376 O ASN A 88 -1.974 -11.612 -6.565 1.00 0.00 O ATOM 1377 CB ASN A 88 0.706 -12.064 -8.562 1.00 0.00 C ATOM 1378 CG ASN A 88 2.036 -11.599 -7.996 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.280 -10.402 -7.869 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.904 -12.544 -7.650 1.00 0.00 N ATOM 0 H ASN A 88 -1.532 -13.166 -9.067 1.00 0.00 H new ATOM 0 HA ASN A 88 0.502 -13.516 -6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.887 -12.704 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.145 -11.200 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.812 -12.286 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.663 -13.528 -7.772 1.00 0.00 H new ATOM 1387 N TYR A 89 0.059 -11.283 -5.651 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.439 -10.332 -4.658 1.00 0.00 C ATOM 1389 C TYR A 89 0.600 -9.255 -4.323 1.00 0.00 C ATOM 1390 O TYR A 89 0.815 -8.927 -3.153 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.898 -11.064 -3.391 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.316 -10.717 -2.989 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.740 -9.393 -2.954 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -3.231 -11.707 -2.658 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.034 -9.068 -2.598 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.528 -11.389 -2.304 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.924 -10.068 -2.274 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.216 -9.746 -1.926 1.00 0.00 O ATOM 0 H TYR A 89 1.062 -11.463 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.298 -9.823 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.825 -12.139 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.223 -10.818 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.046 -8.606 -3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.924 -12.742 -2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.347 -8.035 -2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.229 -12.171 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.818 -10.468 -2.201 1.00 0.00 H new ATOM 1408 N ASP A 90 1.215 -8.685 -5.361 1.00 0.00 N ATOM 1409 CA ASP A 90 2.201 -7.620 -5.186 1.00 0.00 C ATOM 1410 C ASP A 90 1.536 -6.280 -5.467 1.00 0.00 C ATOM 1411 O ASP A 90 1.602 -5.751 -6.580 1.00 0.00 O ATOM 1412 CB ASP A 90 3.403 -7.848 -6.112 1.00 0.00 C ATOM 1413 CG ASP A 90 4.742 -7.633 -5.428 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.815 -7.780 -4.191 1.00 0.00 O ATOM 1415 OD2 ASP A 90 5.723 -7.322 -6.135 1.00 0.00 O ATOM 0 H ASP A 90 1.046 -8.945 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 90 2.571 -7.624 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.363 -8.864 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.327 -7.174 -6.966 1.00 0.00 H new ATOM 1420 N PHE A 91 0.849 -5.765 -4.454 1.00 0.00 N ATOM 1421 CA PHE A 91 0.110 -4.520 -4.580 1.00 0.00 C ATOM 1422 C PHE A 91 0.874 -3.309 -4.056 1.00 0.00 C ATOM 1423 O PHE A 91 1.648 -3.393 -3.100 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.244 -4.675 -3.882 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.338 -4.053 -2.530 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -0.961 -4.773 -1.421 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -1.828 -2.770 -2.364 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.067 -4.235 -0.162 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.932 -2.218 -1.105 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.553 -2.952 0.001 1.00 0.00 C ATOM 0 H PHE A 91 0.790 -6.196 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.040 -4.324 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.014 -4.240 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.468 -5.738 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.576 -5.775 -1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.131 -2.196 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.771 -4.814 0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.309 -1.213 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.636 -2.525 0.990 1.00 0.00 H new ATOM 1440 N VAL A 92 0.621 -2.177 -4.702 1.00 0.00 N ATOM 1441 CA VAL A 92 1.242 -0.913 -4.339 1.00 0.00 C ATOM 1442 C VAL A 92 0.253 -0.042 -3.571 1.00 0.00 C ATOM 1443 O VAL A 92 -0.801 0.330 -4.094 1.00 0.00 O ATOM 1444 CB VAL A 92 1.740 -0.149 -5.587 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.445 1.141 -5.191 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.661 -1.026 -6.425 1.00 0.00 C ATOM 0 H VAL A 92 -0.021 -2.112 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 92 2.102 -1.137 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 92 0.870 0.111 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.786 1.659 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.753 1.780 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.302 0.908 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.999 -0.468 -7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.523 -1.323 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.121 -1.915 -6.750 1.00 0.00 H new ATOM 1456 N LEU A 93 0.598 0.277 -2.328 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.252 1.101 -1.486 1.00 0.00 C ATOM 1458 C LEU A 93 0.142 2.569 -1.606 1.00 0.00 C ATOM 1459 O LEU A 93 0.974 3.066 -0.847 1.00 0.00 O ATOM 1460 CB LEU A 93 -0.170 0.635 -0.028 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.785 1.587 0.998 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -2.299 1.612 0.869 1.00 0.00 C ATOM 1463 CD2 LEU A 93 -0.377 1.188 2.408 1.00 0.00 C ATOM 0 H LEU A 93 1.464 -0.026 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.283 0.996 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.666 -0.332 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.878 0.479 0.228 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.409 2.591 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.716 2.296 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.573 1.948 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.695 0.610 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.824 1.877 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.723 0.175 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.709 1.226 2.497 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.471 3.258 -2.559 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.198 4.673 -2.774 1.00 0.00 C ATOM 1477 C LYS A 94 -1.064 5.510 -1.840 1.00 0.00 C ATOM 1478 O LYS A 94 -2.069 5.025 -1.332 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.470 5.052 -4.234 1.00 0.00 C ATOM 1480 CG LYS A 94 0.596 4.554 -5.200 1.00 0.00 C ATOM 1481 CD LYS A 94 0.228 4.860 -6.646 1.00 0.00 C ATOM 1482 CE LYS A 94 0.807 6.190 -7.106 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.278 6.109 -7.339 1.00 0.00 N ATOM 0 H LYS A 94 -1.161 2.860 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 94 0.852 4.870 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.437 4.647 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.541 6.137 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.552 5.020 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.726 3.479 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.594 4.061 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.857 4.881 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.311 6.503 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.600 6.954 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.525 6.652 -8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.782 6.503 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.554 5.115 -7.470 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.677 6.756 -1.609 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.440 7.635 -0.728 1.00 0.00 C ATOM 1499 C LYS A 95 -2.542 8.358 -1.502 1.00 0.00 C ATOM 1500 O LYS A 95 -2.508 8.432 -2.733 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.512 8.652 -0.064 1.00 0.00 C ATOM 1502 CG LYS A 95 -0.523 8.602 1.455 1.00 0.00 C ATOM 1503 CD LYS A 95 0.886 8.504 2.019 1.00 0.00 C ATOM 1504 CE LYS A 95 0.981 9.144 3.395 1.00 0.00 C ATOM 1505 NZ LYS A 95 2.390 9.435 3.786 1.00 0.00 N ATOM 0 H LYS A 95 0.156 7.182 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.907 7.023 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.506 8.483 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.798 9.653 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.011 9.495 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.110 7.746 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.182 7.457 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.585 8.992 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.405 10.069 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.530 8.481 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.528 9.197 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.037 8.866 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.589 10.445 3.639 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.522 8.886 -0.773 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.641 9.600 -1.383 1.00 0.00 C ATOM 1521 C ARG A 96 -4.330 11.091 -1.525 1.00 0.00 C ATOM 1522 O ARG A 96 -4.845 11.921 -0.773 1.00 0.00 O ATOM 1523 CB ARG A 96 -5.912 9.397 -0.551 1.00 0.00 C ATOM 1524 CG ARG A 96 -7.178 9.903 -1.230 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.828 11.027 -0.437 1.00 0.00 C ATOM 1526 NE ARG A 96 -9.150 10.645 0.065 1.00 0.00 N ATOM 1527 CZ ARG A 96 -9.373 10.116 1.270 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -8.380 9.951 2.133 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -10.601 9.759 1.617 1.00 0.00 N ATOM 0 H ARG A 96 -3.564 8.833 0.245 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.802 9.193 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.027 8.335 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.795 9.907 0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.937 10.256 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.885 9.081 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.186 11.299 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.920 11.911 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.953 10.793 -0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.432 10.230 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.564 9.546 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.374 9.889 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.774 9.355 2.537 1.00 0.00 H new ATOM 1543 N THR A 97 -3.483 11.424 -2.499 1.00 0.00 N ATOM 1544 CA THR A 97 -3.104 12.816 -2.747 1.00 0.00 C ATOM 1545 C THR A 97 -2.674 13.025 -4.203 1.00 0.00 C ATOM 1546 O THR A 97 -2.125 12.076 -4.805 1.00 0.00 O ATOM 1547 CB THR A 97 -1.984 13.250 -1.792 1.00 0.00 C ATOM 1548 OG1 THR A 97 -1.750 14.646 -1.888 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.665 12.545 -2.037 1.00 0.00 C ATOM 1550 OXT THR A 97 -2.888 14.139 -4.725 1.00 0.00 O ATOM 0 H THR A 97 -3.047 10.750 -3.129 1.00 0.00 H new ATOM 0 HA THR A 97 -3.981 13.436 -2.562 1.00 0.00 H new ATOM 0 HB THR A 97 -2.340 12.975 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.034 14.901 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.077 12.904 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.798 11.470 -1.912 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.324 12.753 -3.051 1.00 0.00 H new