USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 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 63 GLN : amide:sc= -3.84! C(o=-6.5!,f=-11!) USER MOD Set 1.2: A 84 ASN : amide:sc= -6.3! C(o=-6.5!,f=-17!) USER MOD Set 1.3: A 85 SER OG : rot 97:sc= 2.42 USER MOD Set 1.4: A 89 TYR OH : rot 126:sc= 1.2 USER MOD Set 2.1: A 23 ASN : amide:sc= -1.06 X(o=0.49,f=0.14) USER MOD Set 2.2: A 59 TYR OH : rot 21:sc= 0.615 USER MOD Set 2.3: A 95 LYS NZ :NH3+ 173:sc= 0.942 (180deg=0.86) USER MOD Set 3.1: A 25 ASN : amide:sc= -1.7! C(o=-6.5!,f=-10!) USER MOD Set 3.2: A 49 HIS : +bothHN:sc= -4.81! C(o=-6.5!,f=-14!) USER MOD Set 4.1: A 44 LYS NZ :NH3+ 145:sc= 0.671 (180deg=-0.329) USER MOD Set 4.2: A 81 TYR OH : rot 165:sc= -2.1 USER MOD Set 5.1: A 37 LYS NZ :NH3+ -179:sc= 2.18 (180deg=1.05) USER MOD Set 5.2: A 78 ASN : amide:sc= 0.345 K(o=2.5,f=-12!) USER MOD Set 6.1: A 5 TYR OH : rot -171:sc= -0.284 USER MOD Set 6.2: A 8 GLN : amide:sc= 1.63 K(o=1.3,f=-3.9!) USER MOD Set 6.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 CYS SG : rot -116:sc= 0.501! USER MOD Single : A 18 SER OG : rot 170:sc= -0.806 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -59:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0372) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -178:sc= 1.17 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 171:sc= -1.18 (180deg=-1.31) USER MOD Single : A 48 LYS NZ :NH3+ -111:sc= -0.96 (180deg=-2.35!) USER MOD Single : A 50 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.341 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.967 (180deg=0.0829) USER MOD Single : A 76 ASN : amide:sc= -1.74 K(o=-1.7,f=-8.1!) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.14 (180deg=-0.613) USER MOD Single : A 86 THR OG1 : rot -106:sc= 0.817 USER MOD Single : A 88 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.021) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.927) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.973 -27.586 13.494 1.00 0.00 N ATOM 2 CA ALA A 1 4.538 -27.959 13.337 1.00 0.00 C ATOM 3 C ALA A 1 4.118 -27.970 11.865 1.00 0.00 C ATOM 4 O ALA A 1 3.534 -28.944 11.390 1.00 0.00 O ATOM 5 CB ALA A 1 3.652 -27.012 14.139 1.00 0.00 C ATOM 0 H1 ALA A 1 6.224 -27.588 14.503 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.568 -28.273 12.988 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.130 -26.636 13.101 1.00 0.00 H new ATOM 0 HA ALA A 1 4.413 -28.970 13.724 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.608 -27.298 14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.920 -27.069 15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.794 -25.992 13.783 1.00 0.00 H new ATOM 13 N LEU A 2 4.420 -26.885 11.148 1.00 0.00 N ATOM 14 CA LEU A 2 4.071 -26.779 9.732 1.00 0.00 C ATOM 15 C LEU A 2 5.184 -26.083 8.940 1.00 0.00 C ATOM 16 O LEU A 2 6.047 -25.420 9.520 1.00 0.00 O ATOM 17 CB LEU A 2 2.749 -26.020 9.568 1.00 0.00 C ATOM 18 CG LEU A 2 2.767 -24.563 10.043 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.304 -23.634 8.931 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.893 -24.393 11.277 1.00 0.00 C ATOM 0 H LEU A 2 4.904 -26.070 11.525 1.00 0.00 H new ATOM 0 HA LEU A 2 3.953 -27.787 9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.467 -26.038 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.972 -26.554 10.116 1.00 0.00 H new ATOM 0 HG LEU A 2 3.791 -24.300 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.323 -22.604 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.968 -23.734 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.288 -23.897 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.918 -23.352 11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.867 -24.674 11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.267 -25.031 12.078 1.00 0.00 H new ATOM 32 N PRO A 3 5.178 -26.226 7.597 1.00 0.00 N ATOM 33 CA PRO A 3 6.182 -25.614 6.728 1.00 0.00 C ATOM 34 C PRO A 3 5.790 -24.205 6.274 1.00 0.00 C ATOM 35 O PRO A 3 4.817 -23.630 6.770 1.00 0.00 O ATOM 36 CB PRO A 3 6.228 -26.575 5.540 1.00 0.00 C ATOM 37 CG PRO A 3 4.858 -27.185 5.466 1.00 0.00 C ATOM 38 CD PRO A 3 4.191 -26.995 6.817 1.00 0.00 C ATOM 0 HA PRO A 3 7.140 -25.481 7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.474 -26.048 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.991 -27.340 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.271 -26.710 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.925 -28.244 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.248 -26.456 6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.967 -27.951 7.289 1.00 0.00 H new ATOM 46 N LEU A 4 6.552 -23.654 5.327 1.00 0.00 N ATOM 47 CA LEU A 4 6.286 -22.313 4.801 1.00 0.00 C ATOM 48 C LEU A 4 4.940 -22.264 4.069 1.00 0.00 C ATOM 49 O LEU A 4 4.355 -23.304 3.755 1.00 0.00 O ATOM 50 CB LEU A 4 7.414 -21.869 3.860 1.00 0.00 C ATOM 51 CG LEU A 4 7.693 -22.806 2.677 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.281 -22.154 1.366 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.165 -23.193 2.638 1.00 0.00 C ATOM 0 H LEU A 4 7.359 -24.116 4.908 1.00 0.00 H new ATOM 0 HA LEU A 4 6.241 -21.626 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.170 -20.881 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.330 -21.764 4.442 1.00 0.00 H new ATOM 0 HG LEU A 4 7.100 -23.711 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.487 -22.835 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.215 -21.927 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.845 -21.232 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.344 -23.858 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.774 -22.296 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.432 -23.703 3.564 1.00 0.00 H new ATOM 65 N TYR A 5 4.457 -21.047 3.804 1.00 0.00 N ATOM 66 CA TYR A 5 3.179 -20.853 3.113 1.00 0.00 C ATOM 67 C TYR A 5 3.113 -21.667 1.818 1.00 0.00 C ATOM 68 O TYR A 5 3.786 -21.350 0.836 1.00 0.00 O ATOM 69 CB TYR A 5 2.955 -19.367 2.808 1.00 0.00 C ATOM 70 CG TYR A 5 1.536 -19.036 2.400 1.00 0.00 C ATOM 71 CD1 TYR A 5 1.135 -19.127 1.071 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.598 -18.631 3.341 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.159 -18.825 0.695 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.699 -18.328 2.971 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.072 -18.426 1.646 1.00 0.00 C ATOM 76 OH TYR A 5 -2.363 -18.124 1.270 1.00 0.00 O ATOM 0 H TYR A 5 4.932 -20.181 4.058 1.00 0.00 H new ATOM 0 HA TYR A 5 2.389 -21.206 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.216 -18.781 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.633 -19.063 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.847 -19.439 0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.887 -18.552 4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.454 -18.901 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.417 -18.016 3.715 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.840 -17.725 2.028 1.00 0.00 H new ATOM 86 N ASN A 6 2.292 -22.717 1.833 1.00 0.00 N ATOM 87 CA ASN A 6 2.122 -23.586 0.668 1.00 0.00 C ATOM 88 C ASN A 6 0.640 -23.780 0.351 1.00 0.00 C ATOM 89 O ASN A 6 0.181 -23.444 -0.741 1.00 0.00 O ATOM 90 CB ASN A 6 2.789 -24.944 0.915 1.00 0.00 C ATOM 91 CG ASN A 6 4.230 -24.979 0.446 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.513 -25.329 -0.698 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.153 -24.617 1.328 1.00 0.00 N ATOM 0 H ASN A 6 1.732 -22.987 2.642 1.00 0.00 H new ATOM 0 HA ASN A 6 2.600 -23.108 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.751 -25.175 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.224 -25.721 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.139 -24.623 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.877 -24.333 2.268 1.00 0.00 H new ATOM 100 N GLN A 7 -0.104 -24.321 1.318 1.00 0.00 N ATOM 101 CA GLN A 7 -1.536 -24.558 1.152 1.00 0.00 C ATOM 102 C GLN A 7 -2.333 -23.822 2.228 1.00 0.00 C ATOM 103 O GLN A 7 -2.291 -24.189 3.404 1.00 0.00 O ATOM 104 CB GLN A 7 -1.839 -26.059 1.208 1.00 0.00 C ATOM 105 CG GLN A 7 -1.130 -26.868 0.130 1.00 0.00 C ATOM 106 CD GLN A 7 -0.444 -28.104 0.679 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.848 -29.229 0.392 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.599 -27.903 1.477 1.00 0.00 N ATOM 0 H GLN A 7 0.265 -24.603 2.226 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.834 -24.175 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.550 -26.443 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.915 -26.207 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.853 -27.166 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.391 -26.237 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.902 -26.953 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.096 -28.699 1.876 1.00 0.00 H new ATOM 117 N GLN A 8 -3.056 -22.781 1.817 1.00 0.00 N ATOM 118 CA GLN A 8 -3.863 -21.990 2.746 1.00 0.00 C ATOM 119 C GLN A 8 -5.300 -21.852 2.240 1.00 0.00 C ATOM 120 O GLN A 8 -5.546 -21.219 1.212 1.00 0.00 O ATOM 121 CB GLN A 8 -3.242 -20.604 2.947 1.00 0.00 C ATOM 122 CG GLN A 8 -3.793 -19.852 4.149 1.00 0.00 C ATOM 123 CD GLN A 8 -4.506 -18.570 3.761 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.893 -17.506 3.678 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.808 -18.663 3.520 1.00 0.00 N ATOM 0 H GLN A 8 -3.100 -22.466 0.848 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.883 -22.511 3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.163 -20.713 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.409 -20.008 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.484 -20.498 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.976 -19.616 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.278 -19.565 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.338 -17.833 3.255 1.00 0.00 H new ATOM 134 N VAL A 9 -6.243 -22.449 2.969 1.00 0.00 N ATOM 135 CA VAL A 9 -7.656 -22.396 2.598 1.00 0.00 C ATOM 136 C VAL A 9 -8.538 -22.202 3.834 1.00 0.00 C ATOM 137 O VAL A 9 -8.791 -23.150 4.581 1.00 0.00 O ATOM 138 CB VAL A 9 -8.096 -23.680 1.858 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.518 -23.541 1.334 1.00 0.00 C ATOM 140 CG2 VAL A 9 -7.137 -24.006 0.721 1.00 0.00 C ATOM 0 H VAL A 9 -6.053 -22.976 3.821 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.778 -21.545 1.928 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.073 -24.504 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.806 -24.456 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.198 -23.366 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.570 -22.701 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.467 -24.913 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.121 -23.180 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.135 -24.159 1.122 1.00 0.00 H new ATOM 150 N GLY A 10 -9.001 -20.967 4.048 1.00 0.00 N ATOM 151 CA GLY A 10 -9.846 -20.679 5.199 1.00 0.00 C ATOM 152 C GLY A 10 -10.542 -19.333 5.095 1.00 0.00 C ATOM 153 O GLY A 10 -11.366 -19.125 4.204 1.00 0.00 O ATOM 0 H GLY A 10 -8.806 -20.166 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.596 -21.464 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.239 -20.700 6.104 1.00 0.00 H new ATOM 157 N ASP A 11 -10.211 -18.419 6.008 1.00 0.00 N ATOM 158 CA ASP A 11 -10.812 -17.086 6.019 1.00 0.00 C ATOM 159 C ASP A 11 -9.740 -15.995 6.131 1.00 0.00 C ATOM 160 O ASP A 11 -9.828 -15.101 6.976 1.00 0.00 O ATOM 161 CB ASP A 11 -11.815 -16.977 7.174 1.00 0.00 C ATOM 162 CG ASP A 11 -13.235 -17.278 6.738 1.00 0.00 C ATOM 163 OD1 ASP A 11 -13.630 -18.462 6.775 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.951 -16.328 6.356 1.00 0.00 O ATOM 0 H ASP A 11 -9.529 -18.578 6.750 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.337 -16.937 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.528 -17.667 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.772 -15.972 7.595 1.00 0.00 H new ATOM 169 N CYS A 12 -8.725 -16.077 5.269 1.00 0.00 N ATOM 170 CA CYS A 12 -7.636 -15.104 5.266 1.00 0.00 C ATOM 171 C CYS A 12 -6.766 -15.246 4.011 1.00 0.00 C ATOM 172 O CYS A 12 -6.945 -16.174 3.218 1.00 0.00 O ATOM 173 CB CYS A 12 -6.777 -15.279 6.521 1.00 0.00 C ATOM 174 SG CYS A 12 -6.059 -16.928 6.706 1.00 0.00 S ATOM 0 H CYS A 12 -8.636 -16.809 4.564 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.074 -14.106 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.972 -14.545 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.386 -15.060 7.398 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.350 -16.973 7.795 1.00 0.00 H new ATOM 180 N CYS A 13 -5.823 -14.318 3.844 1.00 0.00 N ATOM 181 CA CYS A 13 -4.913 -14.322 2.696 1.00 0.00 C ATOM 182 C CYS A 13 -3.606 -13.584 3.028 1.00 0.00 C ATOM 183 O CYS A 13 -3.358 -13.242 4.186 1.00 0.00 O ATOM 184 CB CYS A 13 -5.600 -13.679 1.484 1.00 0.00 C ATOM 185 SG CYS A 13 -5.258 -14.513 -0.083 1.00 0.00 S ATOM 0 H CYS A 13 -5.668 -13.548 4.495 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.662 -15.355 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.677 -13.671 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.281 -12.639 1.408 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.614 -13.706 -0.873 1.00 0.00 H new ATOM 191 N ILE A 14 -2.777 -13.337 2.009 1.00 0.00 N ATOM 192 CA ILE A 14 -1.507 -12.633 2.199 1.00 0.00 C ATOM 193 C ILE A 14 -1.346 -11.516 1.179 1.00 0.00 C ATOM 194 O ILE A 14 -2.081 -11.454 0.192 1.00 0.00 O ATOM 195 CB ILE A 14 -0.273 -13.561 2.107 1.00 0.00 C ATOM 196 CG1 ILE A 14 -0.673 -15.021 1.876 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.578 -13.435 3.360 1.00 0.00 C ATOM 198 CD1 ILE A 14 -0.670 -15.414 0.414 1.00 0.00 C ATOM 0 H ILE A 14 -2.963 -13.614 1.045 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.550 -12.226 3.209 1.00 0.00 H new ATOM 0 HB ILE A 14 0.314 -13.243 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.012 -15.670 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.668 -15.189 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.443 -14.094 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.916 -12.404 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.013 -13.716 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.962 -16.460 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.376 -14.788 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.330 -15.277 0.003 1.00 0.00 H new ATOM 210 N ILE A 15 -0.395 -10.623 1.436 1.00 0.00 N ATOM 211 CA ILE A 15 -0.158 -9.487 0.556 1.00 0.00 C ATOM 212 C ILE A 15 1.257 -8.936 0.678 1.00 0.00 C ATOM 213 O ILE A 15 1.801 -8.854 1.771 1.00 0.00 O ATOM 214 CB ILE A 15 -1.142 -8.350 0.899 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.528 -8.618 0.314 1.00 0.00 C ATOM 216 CG2 ILE A 15 -0.621 -7.008 0.418 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.446 -7.422 0.394 1.00 0.00 C ATOM 0 H ILE A 15 0.223 -10.665 2.246 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.302 -9.845 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.229 -8.317 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.424 -8.919 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.984 -9.454 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.337 -6.227 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.335 -6.796 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.487 -7.036 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.414 -7.677 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.578 -7.134 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.009 -6.591 -0.160 1.00 0.00 H new ATOM 229 N ARG A 16 1.809 -8.498 -0.454 1.00 0.00 N ATOM 230 CA ARG A 16 3.126 -7.874 -0.487 1.00 0.00 C ATOM 231 C ARG A 16 2.947 -6.425 -0.948 1.00 0.00 C ATOM 232 O ARG A 16 2.978 -6.121 -2.142 1.00 0.00 O ATOM 233 CB ARG A 16 4.086 -8.666 -1.385 1.00 0.00 C ATOM 234 CG ARG A 16 5.470 -8.049 -1.509 1.00 0.00 C ATOM 235 CD ARG A 16 6.554 -9.115 -1.597 1.00 0.00 C ATOM 236 NE ARG A 16 6.584 -9.761 -2.911 1.00 0.00 N ATOM 237 CZ ARG A 16 7.108 -9.210 -4.006 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.660 -8.003 -3.959 1.00 0.00 N ATOM 239 NH2 ARG A 16 7.079 -9.869 -5.154 1.00 0.00 N ATOM 0 H ARG A 16 1.357 -8.566 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 16 3.579 -7.877 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.185 -9.677 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.648 -8.753 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.509 -7.416 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.660 -7.406 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.525 -8.663 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.385 -9.868 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 16 6.178 -10.693 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.686 -7.488 -3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.058 -7.591 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.656 -10.796 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.479 -9.449 -5.993 1.00 0.00 H new ATOM 253 N VAL A 17 2.690 -5.552 0.033 1.00 0.00 N ATOM 254 CA VAL A 17 2.418 -4.128 -0.205 1.00 0.00 C ATOM 255 C VAL A 17 3.691 -3.285 -0.389 1.00 0.00 C ATOM 256 O VAL A 17 4.781 -3.670 0.037 1.00 0.00 O ATOM 257 CB VAL A 17 1.632 -3.517 0.989 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.457 -3.548 2.270 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.196 -2.090 0.688 1.00 0.00 C ATOM 0 H VAL A 17 2.665 -5.814 1.019 1.00 0.00 H new ATOM 0 HA VAL A 17 1.840 -4.096 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 17 0.743 -4.130 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.879 -3.114 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.711 -4.579 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.372 -2.973 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.649 -1.689 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.075 -1.473 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.552 -2.084 -0.191 1.00 0.00 H new ATOM 269 N SER A 18 3.511 -2.103 -0.989 1.00 0.00 N ATOM 270 CA SER A 18 4.594 -1.140 -1.207 1.00 0.00 C ATOM 271 C SER A 18 4.052 0.288 -1.047 1.00 0.00 C ATOM 272 O SER A 18 2.856 0.474 -0.839 1.00 0.00 O ATOM 273 CB SER A 18 5.212 -1.327 -2.599 1.00 0.00 C ATOM 274 OG SER A 18 4.833 -0.288 -3.488 1.00 0.00 O ATOM 0 H SER A 18 2.606 -1.787 -1.338 1.00 0.00 H new ATOM 0 HA SER A 18 5.375 -1.311 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.298 -1.354 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.900 -2.288 -3.009 1.00 0.00 H new ATOM 0 HG SER A 18 5.367 -0.348 -4.308 1.00 0.00 H new ATOM 280 N LEU A 19 4.923 1.290 -1.147 1.00 0.00 N ATOM 281 CA LEU A 19 4.500 2.686 -1.018 1.00 0.00 C ATOM 282 C LEU A 19 5.255 3.576 -2.006 1.00 0.00 C ATOM 283 O LEU A 19 6.475 3.461 -2.142 1.00 0.00 O ATOM 284 CB LEU A 19 4.720 3.177 0.413 1.00 0.00 C ATOM 285 CG LEU A 19 3.784 2.560 1.453 1.00 0.00 C ATOM 286 CD1 LEU A 19 4.567 1.745 2.469 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.968 3.640 2.147 1.00 0.00 C ATOM 0 H LEU A 19 5.921 1.164 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 19 3.436 2.744 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.750 2.965 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.599 4.260 0.433 1.00 0.00 H new ATOM 0 HG LEU A 19 3.097 1.889 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.880 1.316 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.101 0.944 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.282 2.390 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.308 3.181 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.639 4.338 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.371 4.176 1.409 1.00 0.00 H new ATOM 299 N ASP A 20 4.530 4.456 -2.704 1.00 0.00 N ATOM 300 CA ASP A 20 5.156 5.342 -3.688 1.00 0.00 C ATOM 301 C ASP A 20 4.339 6.618 -3.927 1.00 0.00 C ATOM 302 O ASP A 20 3.738 6.796 -4.988 1.00 0.00 O ATOM 303 CB ASP A 20 5.351 4.587 -5.004 1.00 0.00 C ATOM 304 CG ASP A 20 6.066 5.410 -6.061 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.242 5.768 -5.842 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.447 5.691 -7.110 1.00 0.00 O ATOM 0 H ASP A 20 3.521 4.573 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 20 6.122 5.651 -3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.920 3.677 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.378 4.280 -5.388 1.00 0.00 H new ATOM 311 N VAL A 21 4.345 7.510 -2.942 1.00 0.00 N ATOM 312 CA VAL A 21 3.629 8.787 -3.043 1.00 0.00 C ATOM 313 C VAL A 21 4.296 9.850 -2.170 1.00 0.00 C ATOM 314 O VAL A 21 5.102 10.645 -2.656 1.00 0.00 O ATOM 315 CB VAL A 21 2.134 8.654 -2.666 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.429 10.002 -2.751 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.443 7.643 -3.562 1.00 0.00 C ATOM 0 H VAL A 21 4.838 7.376 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 21 3.678 9.095 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 21 2.079 8.302 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.380 9.881 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.902 10.704 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.500 10.386 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.393 7.565 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.517 7.967 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.922 6.670 -3.450 1.00 0.00 H new ATOM 327 N ASP A 22 3.971 9.845 -0.881 1.00 0.00 N ATOM 328 CA ASP A 22 4.549 10.791 0.070 1.00 0.00 C ATOM 329 C ASP A 22 5.489 10.074 1.044 1.00 0.00 C ATOM 330 O ASP A 22 6.149 10.713 1.867 1.00 0.00 O ATOM 331 CB ASP A 22 3.441 11.512 0.843 1.00 0.00 C ATOM 332 CG ASP A 22 2.470 12.240 -0.068 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.868 13.260 -0.667 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.311 11.789 -0.179 1.00 0.00 O ATOM 0 H ASP A 22 3.306 9.192 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 22 5.126 11.527 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.894 10.787 1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.891 12.226 1.533 1.00 0.00 H new ATOM 339 N ASN A 23 5.543 8.743 0.942 1.00 0.00 N ATOM 340 CA ASN A 23 6.392 7.930 1.806 1.00 0.00 C ATOM 341 C ASN A 23 7.042 6.800 1.005 1.00 0.00 C ATOM 342 O ASN A 23 6.514 5.686 0.941 1.00 0.00 O ATOM 343 CB ASN A 23 5.568 7.352 2.963 1.00 0.00 C ATOM 344 CG ASN A 23 4.745 8.409 3.687 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.632 8.732 3.269 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.282 8.957 4.775 1.00 0.00 N ATOM 0 H ASN A 23 5.003 8.206 0.263 1.00 0.00 H new ATOM 0 HA ASN A 23 7.179 8.563 2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.902 6.580 2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.238 6.869 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.769 9.670 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.207 8.664 5.091 1.00 0.00 H new ATOM 353 N GLY A 24 8.185 7.100 0.387 1.00 0.00 N ATOM 354 CA GLY A 24 8.894 6.112 -0.413 1.00 0.00 C ATOM 355 C GLY A 24 9.495 5.000 0.428 1.00 0.00 C ATOM 356 O GLY A 24 10.651 5.085 0.843 1.00 0.00 O ATOM 0 H GLY A 24 8.634 8.015 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.208 5.681 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.687 6.606 -0.975 1.00 0.00 H new ATOM 360 N ASN A 25 8.703 3.960 0.681 1.00 0.00 N ATOM 361 CA ASN A 25 9.156 2.825 1.483 1.00 0.00 C ATOM 362 C ASN A 25 9.342 1.571 0.625 1.00 0.00 C ATOM 363 O ASN A 25 8.812 1.475 -0.483 1.00 0.00 O ATOM 364 CB ASN A 25 8.162 2.546 2.613 1.00 0.00 C ATOM 365 CG ASN A 25 8.747 2.845 3.983 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.174 1.937 4.695 1.00 0.00 O ATOM 367 ND2 ASN A 25 8.777 4.119 4.358 1.00 0.00 N ATOM 0 H ASN A 25 7.744 3.880 0.342 1.00 0.00 H new ATOM 0 HA ASN A 25 10.124 3.085 1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.267 3.149 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.853 1.501 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.165 4.374 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.413 4.842 3.738 1.00 0.00 H new ATOM 374 N MET A 26 10.100 0.610 1.156 1.00 0.00 N ATOM 375 CA MET A 26 10.367 -0.646 0.453 1.00 0.00 C ATOM 376 C MET A 26 9.183 -1.611 0.575 1.00 0.00 C ATOM 377 O MET A 26 8.345 -1.470 1.467 1.00 0.00 O ATOM 378 CB MET A 26 11.642 -1.300 1.008 1.00 0.00 C ATOM 379 CG MET A 26 12.850 -1.149 0.097 1.00 0.00 C ATOM 380 SD MET A 26 12.761 -2.208 -1.360 1.00 0.00 S ATOM 381 CE MET A 26 13.814 -3.568 -0.856 1.00 0.00 C ATOM 0 H MET A 26 10.541 0.678 2.073 1.00 0.00 H new ATOM 0 HA MET A 26 10.511 -0.420 -0.603 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.872 -0.861 1.979 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.453 -2.361 1.174 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.933 -0.109 -0.219 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.754 -1.385 0.658 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.860 -4.308 -1.655 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.817 -3.194 -0.650 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.407 -4.030 0.043 1.00 0.00 H new ATOM 391 N TYR A 27 9.121 -2.592 -0.331 1.00 0.00 N ATOM 392 CA TYR A 27 8.038 -3.580 -0.326 1.00 0.00 C ATOM 393 C TYR A 27 8.024 -4.377 0.979 1.00 0.00 C ATOM 394 O TYR A 27 9.078 -4.706 1.528 1.00 0.00 O ATOM 395 CB TYR A 27 8.178 -4.546 -1.510 1.00 0.00 C ATOM 396 CG TYR A 27 7.208 -4.280 -2.639 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.866 -4.633 -2.530 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.634 -3.682 -3.817 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.982 -4.396 -3.566 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.755 -3.442 -4.856 1.00 0.00 C ATOM 401 CZ TYR A 27 5.431 -3.800 -4.725 1.00 0.00 C ATOM 402 OH TYR A 27 4.552 -3.558 -5.756 1.00 0.00 O ATOM 0 H TYR A 27 9.806 -2.723 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 27 7.099 -3.034 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.195 -4.485 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.033 -5.566 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.510 -5.099 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.671 -3.399 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.944 -4.677 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.104 -2.976 -5.766 1.00 0.00 H new ATOM 0 HH TYR A 27 4.146 -4.402 -6.045 1.00 0.00 H new ATOM 412 N LYS A 28 6.822 -4.696 1.456 1.00 0.00 N ATOM 413 CA LYS A 28 6.653 -5.468 2.690 1.00 0.00 C ATOM 414 C LYS A 28 5.345 -6.257 2.639 1.00 0.00 C ATOM 415 O LYS A 28 4.321 -5.737 2.199 1.00 0.00 O ATOM 416 CB LYS A 28 6.652 -4.553 3.925 1.00 0.00 C ATOM 417 CG LYS A 28 7.974 -3.838 4.191 1.00 0.00 C ATOM 418 CD LYS A 28 9.094 -4.817 4.510 1.00 0.00 C ATOM 419 CE LYS A 28 10.463 -4.198 4.262 1.00 0.00 C ATOM 420 NZ LYS A 28 10.680 -2.970 5.080 1.00 0.00 N ATOM 0 H LYS A 28 5.946 -4.431 1.006 1.00 0.00 H new ATOM 0 HA LYS A 28 7.494 -6.156 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.868 -3.805 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.394 -5.148 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.248 -3.245 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.851 -3.144 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.019 -5.131 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.982 -5.712 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.238 -4.929 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.563 -3.951 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.663 -2.649 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.034 -2.221 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.495 -3.182 6.081 1.00 0.00 H new ATOM 434 N SER A 29 5.375 -7.512 3.083 1.00 0.00 N ATOM 435 CA SER A 29 4.175 -8.345 3.071 1.00 0.00 C ATOM 436 C SER A 29 3.402 -8.218 4.385 1.00 0.00 C ATOM 437 O SER A 29 3.986 -8.002 5.449 1.00 0.00 O ATOM 438 CB SER A 29 4.542 -9.813 2.801 1.00 0.00 C ATOM 439 OG SER A 29 4.156 -10.662 3.874 1.00 0.00 O ATOM 0 H SER A 29 6.208 -7.971 3.452 1.00 0.00 H new ATOM 0 HA SER A 29 3.529 -7.994 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.058 -10.145 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.617 -9.895 2.642 1.00 0.00 H new ATOM 0 HG SER A 29 4.404 -11.587 3.665 1.00 0.00 H new ATOM 445 N ILE A 30 2.082 -8.362 4.292 1.00 0.00 N ATOM 446 CA ILE A 30 1.200 -8.276 5.452 1.00 0.00 C ATOM 447 C ILE A 30 0.061 -9.291 5.331 1.00 0.00 C ATOM 448 O ILE A 30 -0.403 -9.582 4.225 1.00 0.00 O ATOM 449 CB ILE A 30 0.584 -6.860 5.625 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.255 -5.818 4.712 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.662 -6.411 7.079 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.613 -5.352 5.198 1.00 0.00 C ATOM 0 H ILE A 30 1.596 -8.541 3.413 1.00 0.00 H new ATOM 0 HA ILE A 30 1.815 -8.493 6.326 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.463 -6.931 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.364 -6.242 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.597 -4.954 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.225 -5.417 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.112 -7.113 7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.705 -6.382 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.018 -4.620 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.510 -4.896 6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.289 -6.205 5.262 1.00 0.00 H new ATOM 464 N LEU A 31 -0.391 -9.824 6.466 1.00 0.00 N ATOM 465 CA LEU A 31 -1.481 -10.800 6.471 1.00 0.00 C ATOM 466 C LEU A 31 -2.801 -10.132 6.089 1.00 0.00 C ATOM 467 O LEU A 31 -3.005 -8.943 6.339 1.00 0.00 O ATOM 468 CB LEU A 31 -1.608 -11.470 7.844 1.00 0.00 C ATOM 469 CG LEU A 31 -0.664 -12.653 8.075 1.00 0.00 C ATOM 470 CD1 LEU A 31 0.085 -12.492 9.389 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.434 -13.965 8.057 1.00 0.00 C ATOM 0 H LEU A 31 -0.022 -9.598 7.390 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.249 -11.567 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.425 -10.722 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.635 -11.813 7.971 1.00 0.00 H new ATOM 0 HG LEU A 31 0.065 -12.672 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.751 -13.343 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.671 -11.573 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.629 -12.445 10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.745 -14.793 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.187 -13.956 8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.922 -14.087 7.090 1.00 0.00 H new ATOM 483 N VAL A 32 -3.683 -10.900 5.461 1.00 0.00 N ATOM 484 CA VAL A 32 -4.976 -10.387 5.018 1.00 0.00 C ATOM 485 C VAL A 32 -6.117 -11.299 5.460 1.00 0.00 C ATOM 486 O VAL A 32 -5.914 -12.490 5.688 1.00 0.00 O ATOM 487 CB VAL A 32 -4.999 -10.245 3.480 1.00 0.00 C ATOM 488 CG1 VAL A 32 -6.314 -9.653 2.997 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.828 -9.398 3.009 1.00 0.00 C ATOM 0 H VAL A 32 -3.526 -11.885 5.246 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.117 -9.409 5.478 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.906 -11.242 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.297 -9.567 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.137 -10.302 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.452 -8.665 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.858 -9.307 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.892 -8.407 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.893 -9.872 3.308 1.00 0.00 H new ATOM 499 N THR A 33 -7.318 -10.734 5.575 1.00 0.00 N ATOM 500 CA THR A 33 -8.491 -11.504 5.982 1.00 0.00 C ATOM 501 C THR A 33 -9.389 -11.811 4.781 1.00 0.00 C ATOM 502 O THR A 33 -9.174 -11.292 3.682 1.00 0.00 O ATOM 503 CB THR A 33 -9.288 -10.751 7.048 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.713 -9.484 6.566 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.514 -10.526 8.331 1.00 0.00 C ATOM 0 H THR A 33 -7.504 -9.748 5.392 1.00 0.00 H new ATOM 0 HA THR A 33 -8.140 -12.446 6.403 1.00 0.00 H new ATOM 0 HB THR A 33 -10.143 -11.390 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.222 -9.022 7.265 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.139 -9.987 9.043 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.227 -11.488 8.756 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.619 -9.941 8.118 1.00 0.00 H new ATOM 513 N SER A 34 -10.399 -12.659 4.998 1.00 0.00 N ATOM 514 CA SER A 34 -11.335 -13.046 3.940 1.00 0.00 C ATOM 515 C SER A 34 -12.039 -11.833 3.328 1.00 0.00 C ATOM 516 O SER A 34 -12.405 -11.854 2.151 1.00 0.00 O ATOM 517 CB SER A 34 -12.383 -14.027 4.480 1.00 0.00 C ATOM 518 OG SER A 34 -12.315 -14.136 5.893 1.00 0.00 O ATOM 0 H SER A 34 -10.589 -13.092 5.902 1.00 0.00 H new ATOM 0 HA SER A 34 -10.750 -13.530 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.379 -13.694 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.230 -15.008 4.031 1.00 0.00 H new ATOM 0 HG SER A 34 -12.972 -14.794 6.202 1.00 0.00 H new ATOM 524 N GLN A 35 -12.236 -10.782 4.126 1.00 0.00 N ATOM 525 CA GLN A 35 -12.904 -9.575 3.648 1.00 0.00 C ATOM 526 C GLN A 35 -12.240 -8.311 4.198 1.00 0.00 C ATOM 527 O GLN A 35 -12.869 -7.523 4.909 1.00 0.00 O ATOM 528 CB GLN A 35 -14.385 -9.604 4.035 1.00 0.00 C ATOM 529 CG GLN A 35 -15.265 -10.331 3.029 1.00 0.00 C ATOM 530 CD GLN A 35 -16.747 -10.180 3.325 1.00 0.00 C ATOM 531 OE1 GLN A 35 -17.508 -9.698 2.488 1.00 0.00 O ATOM 532 NE2 GLN A 35 -17.170 -10.587 4.520 1.00 0.00 N ATOM 0 H GLN A 35 -11.943 -10.744 5.102 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.816 -9.552 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.488 -10.084 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.743 -8.580 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.058 -9.949 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.006 -11.390 3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.508 -10.982 5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.156 -10.504 4.767 1.00 0.00 H new ATOM 541 N ASP A 36 -10.969 -8.117 3.852 1.00 0.00 N ATOM 542 CA ASP A 36 -10.226 -6.938 4.301 1.00 0.00 C ATOM 543 C ASP A 36 -10.813 -5.668 3.684 1.00 0.00 C ATOM 544 O ASP A 36 -11.583 -5.732 2.722 1.00 0.00 O ATOM 545 CB ASP A 36 -8.744 -7.065 3.946 1.00 0.00 C ATOM 546 CG ASP A 36 -7.843 -6.308 4.902 1.00 0.00 C ATOM 547 OD1 ASP A 36 -7.873 -6.616 6.111 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.103 -5.414 4.440 1.00 0.00 O ATOM 0 H ASP A 36 -10.433 -8.756 3.265 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.315 -6.872 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.464 -8.118 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.585 -6.694 2.933 1.00 0.00 H new ATOM 553 N LYS A 37 -10.460 -4.516 4.248 1.00 0.00 N ATOM 554 CA LYS A 37 -10.975 -3.238 3.753 1.00 0.00 C ATOM 555 C LYS A 37 -9.896 -2.156 3.743 1.00 0.00 C ATOM 556 O LYS A 37 -8.911 -2.244 4.479 1.00 0.00 O ATOM 557 CB LYS A 37 -12.164 -2.775 4.603 1.00 0.00 C ATOM 558 CG LYS A 37 -13.208 -3.856 4.859 1.00 0.00 C ATOM 559 CD LYS A 37 -14.328 -3.814 3.832 1.00 0.00 C ATOM 560 CE LYS A 37 -14.815 -5.210 3.480 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.153 -5.736 2.252 1.00 0.00 N ATOM 0 H LYS A 37 -9.825 -4.438 5.042 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.302 -3.397 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.792 -2.411 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.645 -1.932 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.730 -4.835 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.626 -3.729 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.159 -3.226 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.977 -3.312 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.620 -5.884 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.895 -5.191 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.525 -6.683 2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.345 -5.098 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.127 -5.794 2.409 1.00 0.00 H new ATOM 575 N ALA A 38 -10.097 -1.136 2.893 1.00 0.00 N ATOM 576 CA ALA A 38 -9.152 -0.014 2.756 1.00 0.00 C ATOM 577 C ALA A 38 -8.470 0.372 4.077 1.00 0.00 C ATOM 578 O ALA A 38 -7.242 0.327 4.171 1.00 0.00 O ATOM 579 CB ALA A 38 -9.856 1.200 2.158 1.00 0.00 C ATOM 0 H ALA A 38 -10.913 -1.065 2.285 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.364 -0.356 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.146 2.022 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.250 0.944 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.676 1.503 2.810 1.00 0.00 H new ATOM 585 N PRO A 39 -9.245 0.776 5.112 1.00 0.00 N ATOM 586 CA PRO A 39 -8.683 1.183 6.408 1.00 0.00 C ATOM 587 C PRO A 39 -7.707 0.158 6.984 1.00 0.00 C ATOM 588 O PRO A 39 -6.665 0.527 7.530 1.00 0.00 O ATOM 589 CB PRO A 39 -9.904 1.347 7.327 1.00 0.00 C ATOM 590 CG PRO A 39 -11.084 0.847 6.556 1.00 0.00 C ATOM 591 CD PRO A 39 -10.712 0.888 5.098 1.00 0.00 C ATOM 0 HA PRO A 39 -8.098 2.097 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.775 0.781 8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.039 2.391 7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.340 -0.168 6.859 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.960 1.467 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.171 0.069 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.039 1.815 4.627 1.00 0.00 H new ATOM 599 N ALA A 40 -8.040 -1.122 6.847 1.00 0.00 N ATOM 600 CA ALA A 40 -7.183 -2.195 7.341 1.00 0.00 C ATOM 601 C ALA A 40 -5.951 -2.361 6.453 1.00 0.00 C ATOM 602 O ALA A 40 -4.867 -2.685 6.938 1.00 0.00 O ATOM 603 CB ALA A 40 -7.959 -3.502 7.426 1.00 0.00 C ATOM 0 H ALA A 40 -8.898 -1.442 6.398 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.846 -1.926 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.304 -4.291 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.802 -3.381 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.328 -3.771 6.436 1.00 0.00 H new ATOM 609 N VAL A 41 -6.126 -2.124 5.150 1.00 0.00 N ATOM 610 CA VAL A 41 -5.031 -2.234 4.188 1.00 0.00 C ATOM 611 C VAL A 41 -3.878 -1.308 4.560 1.00 0.00 C ATOM 612 O VAL A 41 -2.735 -1.751 4.692 1.00 0.00 O ATOM 613 CB VAL A 41 -5.489 -1.885 2.757 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.367 -2.125 1.758 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.730 -2.672 2.370 1.00 0.00 C ATOM 0 H VAL A 41 -7.019 -1.854 4.738 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.700 -3.272 4.217 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.745 -0.826 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.712 -1.872 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.511 -1.501 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.073 -3.174 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.029 -2.405 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.513 -3.739 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.540 -2.437 3.061 1.00 0.00 H new ATOM 625 N ILE A 42 -4.187 -0.021 4.724 1.00 0.00 N ATOM 626 CA ILE A 42 -3.174 0.969 5.076 1.00 0.00 C ATOM 627 C ILE A 42 -2.667 0.753 6.498 1.00 0.00 C ATOM 628 O ILE A 42 -1.464 0.838 6.753 1.00 0.00 O ATOM 629 CB ILE A 42 -3.708 2.410 4.934 1.00 0.00 C ATOM 630 CG1 ILE A 42 -4.152 2.674 3.494 1.00 0.00 C ATOM 631 CG2 ILE A 42 -2.643 3.414 5.354 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.580 3.153 3.378 1.00 0.00 C ATOM 0 H ILE A 42 -5.128 0.357 4.619 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.348 0.836 4.377 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.571 2.526 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.491 3.418 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.037 1.759 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.035 4.426 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.367 3.238 6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.763 3.298 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.824 3.319 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.251 2.400 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.697 4.086 3.930 1.00 0.00 H new ATOM 644 N ARG A 43 -3.585 0.463 7.421 1.00 0.00 N ATOM 645 CA ARG A 43 -3.218 0.224 8.814 1.00 0.00 C ATOM 646 C ARG A 43 -2.220 -0.929 8.914 1.00 0.00 C ATOM 647 O ARG A 43 -1.224 -0.838 9.632 1.00 0.00 O ATOM 648 CB ARG A 43 -4.463 -0.074 9.659 1.00 0.00 C ATOM 649 CG ARG A 43 -4.254 0.128 11.153 1.00 0.00 C ATOM 650 CD ARG A 43 -4.511 1.570 11.572 1.00 0.00 C ATOM 651 NE ARG A 43 -5.936 1.912 11.540 1.00 0.00 N ATOM 652 CZ ARG A 43 -6.435 3.073 11.963 1.00 0.00 C ATOM 653 NH1 ARG A 43 -5.636 4.015 12.450 1.00 0.00 N ATOM 654 NH2 ARG A 43 -7.740 3.294 11.895 1.00 0.00 N ATOM 0 H ARG A 43 -4.584 0.389 7.229 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.747 1.127 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.279 0.567 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.774 -1.104 9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.920 -0.535 11.706 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.234 -0.151 11.418 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.124 1.728 12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.963 2.241 10.911 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.586 1.218 11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.630 3.853 12.503 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.028 4.900 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.360 2.576 11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.124 4.182 12.218 1.00 0.00 H new ATOM 668 N LYS A 44 -2.483 -2.008 8.174 1.00 0.00 N ATOM 669 CA LYS A 44 -1.596 -3.168 8.169 1.00 0.00 C ATOM 670 C LYS A 44 -0.265 -2.826 7.498 1.00 0.00 C ATOM 671 O LYS A 44 0.804 -3.180 8.003 1.00 0.00 O ATOM 672 CB LYS A 44 -2.264 -4.351 7.462 1.00 0.00 C ATOM 673 CG LYS A 44 -3.304 -5.055 8.319 1.00 0.00 C ATOM 674 CD LYS A 44 -3.798 -6.332 7.662 1.00 0.00 C ATOM 675 CE LYS A 44 -4.660 -6.039 6.443 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.135 -6.707 5.218 1.00 0.00 N ATOM 0 H LYS A 44 -3.302 -2.101 7.573 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.396 -3.451 9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.737 -3.998 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.498 -5.069 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.875 -5.289 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.146 -4.385 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.945 -6.943 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.372 -6.914 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.680 -6.374 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.703 -4.962 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.930 -7.004 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.533 -6.043 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.576 -7.541 5.490 1.00 0.00 H new ATOM 690 N ALA A 45 -0.332 -2.115 6.368 1.00 0.00 N ATOM 691 CA ALA A 45 0.873 -1.708 5.651 1.00 0.00 C ATOM 692 C ALA A 45 1.750 -0.828 6.543 1.00 0.00 C ATOM 693 O ALA A 45 2.976 -0.924 6.503 1.00 0.00 O ATOM 694 CB ALA A 45 0.516 -0.986 4.357 1.00 0.00 C ATOM 0 H ALA A 45 -1.204 -1.812 5.935 1.00 0.00 H new ATOM 0 HA ALA A 45 1.438 -2.603 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.430 -0.692 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.065 -1.651 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.073 -0.098 4.586 1.00 0.00 H new ATOM 700 N MET A 46 1.110 0.010 7.368 1.00 0.00 N ATOM 701 CA MET A 46 1.835 0.887 8.291 1.00 0.00 C ATOM 702 C MET A 46 2.582 0.056 9.338 1.00 0.00 C ATOM 703 O MET A 46 3.661 0.437 9.776 1.00 0.00 O ATOM 704 CB MET A 46 0.875 1.880 8.974 1.00 0.00 C ATOM 705 CG MET A 46 0.490 1.502 10.399 1.00 0.00 C ATOM 706 SD MET A 46 -1.118 2.145 10.887 1.00 0.00 S ATOM 707 CE MET A 46 -1.246 1.483 12.546 1.00 0.00 C ATOM 0 H MET A 46 0.095 0.098 7.414 1.00 0.00 H new ATOM 0 HA MET A 46 2.563 1.461 7.717 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.339 2.866 8.985 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.032 1.961 8.375 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.484 0.416 10.492 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.249 1.877 11.086 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.111 1.919 13.046 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.363 0.400 12.498 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.342 1.726 13.105 1.00 0.00 H new ATOM 717 N ASP A 47 2.012 -1.089 9.728 1.00 0.00 N ATOM 718 CA ASP A 47 2.661 -1.962 10.707 1.00 0.00 C ATOM 719 C ASP A 47 4.022 -2.421 10.180 1.00 0.00 C ATOM 720 O ASP A 47 4.977 -2.572 10.945 1.00 0.00 O ATOM 721 CB ASP A 47 1.777 -3.171 11.035 1.00 0.00 C ATOM 722 CG ASP A 47 0.539 -2.788 11.825 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.687 -2.166 12.898 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.577 -3.110 11.370 1.00 0.00 O ATOM 0 H ASP A 47 1.113 -1.428 9.385 1.00 0.00 H new ATOM 0 HA ASP A 47 2.811 -1.396 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.476 -3.659 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.357 -3.897 11.604 1.00 0.00 H new ATOM 729 N LYS A 48 4.108 -2.603 8.860 1.00 0.00 N ATOM 730 CA LYS A 48 5.362 -3.000 8.221 1.00 0.00 C ATOM 731 C LYS A 48 6.168 -1.758 7.823 1.00 0.00 C ATOM 732 O LYS A 48 7.391 -1.818 7.686 1.00 0.00 O ATOM 733 CB LYS A 48 5.103 -3.885 6.992 1.00 0.00 C ATOM 734 CG LYS A 48 5.287 -5.371 7.264 1.00 0.00 C ATOM 735 CD LYS A 48 6.716 -5.695 7.681 1.00 0.00 C ATOM 736 CE LYS A 48 6.831 -5.895 9.187 1.00 0.00 C ATOM 737 NZ LYS A 48 7.712 -4.872 9.828 1.00 0.00 N ATOM 0 H LYS A 48 3.326 -2.482 8.216 1.00 0.00 H new ATOM 0 HA LYS A 48 5.939 -3.583 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.087 -3.712 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.777 -3.585 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.599 -5.685 8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.031 -5.939 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.050 -6.597 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.378 -4.887 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.838 -5.848 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.226 -6.890 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.585 -5.327 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.950 -4.135 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.215 -4.442 10.634 1.00 0.00 H new ATOM 751 N HIS A 49 5.466 -0.632 7.652 1.00 0.00 N ATOM 752 CA HIS A 49 6.073 0.634 7.291 1.00 0.00 C ATOM 753 C HIS A 49 5.711 1.694 8.326 1.00 0.00 C ATOM 754 O HIS A 49 5.121 2.724 7.994 1.00 0.00 O ATOM 755 CB HIS A 49 5.571 1.078 5.927 1.00 0.00 C ATOM 756 CG HIS A 49 5.731 0.059 4.854 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.736 -0.819 4.493 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.774 -0.203 4.048 1.00 0.00 C ATOM 759 CE1 HIS A 49 5.164 -1.580 3.506 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.402 -1.226 3.215 1.00 0.00 N ATOM 0 H HIS A 49 4.453 -0.584 7.763 1.00 0.00 H new ATOM 0 HA HIS A 49 7.155 0.509 7.258 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.516 1.340 6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.103 1.983 5.634 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.812 -0.873 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.730 0.300 4.055 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.598 -2.360 3.018 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.985 -1.644 2.490 1.00 0.00 H new ATOM 769 N ASN A 50 6.032 1.419 9.588 1.00 0.00 N ATOM 770 CA ASN A 50 5.718 2.335 10.688 1.00 0.00 C ATOM 771 C ASN A 50 6.543 3.622 10.591 1.00 0.00 C ATOM 772 O ASN A 50 7.285 3.974 11.512 1.00 0.00 O ATOM 773 CB ASN A 50 5.944 1.645 12.049 1.00 0.00 C ATOM 774 CG ASN A 50 5.013 2.159 13.145 1.00 0.00 C ATOM 775 OD1 ASN A 50 4.305 1.373 13.772 1.00 0.00 O ATOM 776 ND2 ASN A 50 4.998 3.473 13.392 1.00 0.00 N ATOM 0 H ASN A 50 6.511 0.566 9.878 1.00 0.00 H new ATOM 0 HA ASN A 50 4.665 2.607 10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.800 0.571 11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.978 1.796 12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.388 3.849 14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.597 4.100 12.855 1.00 0.00 H new ATOM 783 N LEU A 51 6.406 4.317 9.463 1.00 0.00 N ATOM 784 CA LEU A 51 7.133 5.563 9.227 1.00 0.00 C ATOM 785 C LEU A 51 6.198 6.652 8.691 1.00 0.00 C ATOM 786 O LEU A 51 6.227 6.987 7.506 1.00 0.00 O ATOM 787 CB LEU A 51 8.290 5.322 8.251 1.00 0.00 C ATOM 788 CG LEU A 51 9.263 4.211 8.663 1.00 0.00 C ATOM 789 CD1 LEU A 51 9.265 3.089 7.637 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.665 4.772 8.847 1.00 0.00 C ATOM 0 H LEU A 51 5.796 4.037 8.695 1.00 0.00 H new ATOM 0 HA LEU A 51 7.540 5.907 10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.876 5.077 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.849 6.251 8.137 1.00 0.00 H new ATOM 0 HG LEU A 51 8.929 3.799 9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.962 2.312 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.263 2.667 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.571 3.483 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.342 3.970 9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.007 5.212 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.652 5.537 9.624 1.00 0.00 H new ATOM 802 N GLU A 52 5.376 7.205 9.587 1.00 0.00 N ATOM 803 CA GLU A 52 4.427 8.265 9.235 1.00 0.00 C ATOM 804 C GLU A 52 3.531 7.865 8.057 1.00 0.00 C ATOM 805 O GLU A 52 3.160 8.702 7.229 1.00 0.00 O ATOM 806 CB GLU A 52 5.192 9.544 8.912 1.00 0.00 C ATOM 807 CG GLU A 52 5.385 10.457 10.114 1.00 0.00 C ATOM 808 CD GLU A 52 6.758 11.101 10.152 1.00 0.00 C ATOM 809 OE1 GLU A 52 7.759 10.363 10.272 1.00 0.00 O ATOM 810 OE2 GLU A 52 6.833 12.345 10.064 1.00 0.00 O ATOM 0 H GLU A 52 5.349 6.933 10.570 1.00 0.00 H new ATOM 0 HA GLU A 52 3.774 8.433 10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.168 9.281 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.659 10.090 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.624 11.237 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.233 9.883 11.028 1.00 0.00 H new ATOM 817 N GLU A 53 3.181 6.583 7.995 1.00 0.00 N ATOM 818 CA GLU A 53 2.325 6.061 6.931 1.00 0.00 C ATOM 819 C GLU A 53 1.064 5.413 7.515 1.00 0.00 C ATOM 820 O GLU A 53 0.678 4.310 7.117 1.00 0.00 O ATOM 821 CB GLU A 53 3.104 5.047 6.081 1.00 0.00 C ATOM 822 CG GLU A 53 4.189 5.679 5.219 1.00 0.00 C ATOM 823 CD GLU A 53 5.357 4.746 4.952 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.085 4.414 5.909 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.548 4.353 3.783 1.00 0.00 O ATOM 0 H GLU A 53 3.479 5.882 8.673 1.00 0.00 H new ATOM 0 HA GLU A 53 2.016 6.891 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.560 4.308 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.405 4.513 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.755 5.989 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.556 6.580 5.711 1.00 0.00 H new ATOM 832 N GLU A 54 0.421 6.106 8.461 1.00 0.00 N ATOM 833 CA GLU A 54 -0.787 5.602 9.098 1.00 0.00 C ATOM 834 C GLU A 54 -1.999 6.466 8.728 1.00 0.00 C ATOM 835 O GLU A 54 -2.371 7.398 9.445 1.00 0.00 O ATOM 836 CB GLU A 54 -0.586 5.533 10.622 1.00 0.00 C ATOM 837 CG GLU A 54 -1.857 5.753 11.428 1.00 0.00 C ATOM 838 CD GLU A 54 -1.938 4.888 12.672 1.00 0.00 C ATOM 839 OE1 GLU A 54 -1.042 4.996 13.534 1.00 0.00 O ATOM 840 OE2 GLU A 54 -2.905 4.105 12.785 1.00 0.00 O ATOM 0 H GLU A 54 0.723 7.020 8.799 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.986 4.594 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.170 4.559 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.151 6.281 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.917 6.802 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.720 5.548 10.795 1.00 0.00 H new ATOM 847 N GLU A 55 -2.608 6.138 7.592 1.00 0.00 N ATOM 848 CA GLU A 55 -3.785 6.851 7.099 1.00 0.00 C ATOM 849 C GLU A 55 -4.742 5.858 6.423 1.00 0.00 C ATOM 850 O GLU A 55 -4.684 5.655 5.208 1.00 0.00 O ATOM 851 CB GLU A 55 -3.372 7.953 6.120 1.00 0.00 C ATOM 852 CG GLU A 55 -2.468 9.015 6.733 1.00 0.00 C ATOM 853 CD GLU A 55 -1.091 9.069 6.092 1.00 0.00 C ATOM 854 OE1 GLU A 55 -0.406 8.023 6.056 1.00 0.00 O ATOM 855 OE2 GLU A 55 -0.696 10.159 5.630 1.00 0.00 O ATOM 0 H GLU A 55 -2.302 5.374 6.989 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.297 7.320 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.860 7.499 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.269 8.434 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.946 9.990 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.358 8.818 7.799 1.00 0.00 H new ATOM 862 N PRO A 56 -5.613 5.197 7.218 1.00 0.00 N ATOM 863 CA PRO A 56 -6.564 4.179 6.721 1.00 0.00 C ATOM 864 C PRO A 56 -7.508 4.656 5.612 1.00 0.00 C ATOM 865 O PRO A 56 -7.967 3.849 4.803 1.00 0.00 O ATOM 866 CB PRO A 56 -7.374 3.794 7.968 1.00 0.00 C ATOM 867 CG PRO A 56 -7.099 4.862 8.970 1.00 0.00 C ATOM 868 CD PRO A 56 -5.714 5.358 8.678 1.00 0.00 C ATOM 0 HA PRO A 56 -6.016 3.359 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.438 3.734 7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.073 2.816 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.827 5.669 8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.167 4.471 9.985 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.584 6.397 8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.956 4.776 9.203 1.00 0.00 H new ATOM 876 N GLU A 57 -7.822 5.945 5.590 1.00 0.00 N ATOM 877 CA GLU A 57 -8.738 6.491 4.589 1.00 0.00 C ATOM 878 C GLU A 57 -8.083 7.565 3.709 1.00 0.00 C ATOM 879 O GLU A 57 -8.766 8.466 3.215 1.00 0.00 O ATOM 880 CB GLU A 57 -9.962 7.073 5.291 1.00 0.00 C ATOM 881 CG GLU A 57 -9.640 8.297 6.128 1.00 0.00 C ATOM 882 CD GLU A 57 -9.347 7.958 7.576 1.00 0.00 C ATOM 883 OE1 GLU A 57 -10.305 7.855 8.370 1.00 0.00 O ATOM 884 OE2 GLU A 57 -8.156 7.792 7.915 1.00 0.00 O ATOM 0 H GLU A 57 -7.459 6.632 6.250 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.028 5.673 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.711 7.337 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.405 6.309 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.779 8.809 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.479 8.992 6.085 1.00 0.00 H new ATOM 891 N ASP A 58 -6.766 7.484 3.520 1.00 0.00 N ATOM 892 CA ASP A 58 -6.059 8.474 2.713 1.00 0.00 C ATOM 893 C ASP A 58 -5.261 7.867 1.557 1.00 0.00 C ATOM 894 O ASP A 58 -4.545 8.593 0.870 1.00 0.00 O ATOM 895 CB ASP A 58 -5.106 9.258 3.607 1.00 0.00 C ATOM 896 CG ASP A 58 -5.086 10.740 3.287 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.177 11.342 3.182 1.00 0.00 O ATOM 898 OD2 ASP A 58 -3.980 11.298 3.136 1.00 0.00 O ATOM 0 H ASP A 58 -6.174 6.751 3.911 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.820 9.118 2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.396 9.120 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.099 8.854 3.500 1.00 0.00 H new ATOM 903 N TYR A 59 -5.334 6.552 1.357 1.00 0.00 N ATOM 904 CA TYR A 59 -4.547 5.920 0.305 1.00 0.00 C ATOM 905 C TYR A 59 -5.369 5.270 -0.800 1.00 0.00 C ATOM 906 O TYR A 59 -6.569 5.031 -0.669 1.00 0.00 O ATOM 907 CB TYR A 59 -3.646 4.873 0.927 1.00 0.00 C ATOM 908 CG TYR A 59 -2.467 5.464 1.636 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.650 6.368 2.667 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.178 5.116 1.279 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.582 6.917 3.325 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.091 5.659 1.937 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.297 6.561 2.961 1.00 0.00 C ATOM 914 OH TYR A 59 0.782 7.108 3.618 1.00 0.00 O ATOM 0 H TYR A 59 -5.919 5.916 1.899 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.980 6.720 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.225 4.275 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.293 4.196 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.652 6.646 2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.018 4.411 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.743 7.625 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.913 5.380 1.652 1.00 0.00 H new ATOM 0 HH TYR A 59 0.495 7.448 4.491 1.00 0.00 H new ATOM 924 N GLU A 60 -4.657 4.950 -1.873 1.00 0.00 N ATOM 925 CA GLU A 60 -5.207 4.275 -3.036 1.00 0.00 C ATOM 926 C GLU A 60 -4.481 2.948 -3.202 1.00 0.00 C ATOM 927 O GLU A 60 -3.293 2.846 -2.880 1.00 0.00 O ATOM 928 CB GLU A 60 -5.030 5.124 -4.298 1.00 0.00 C ATOM 929 CG GLU A 60 -6.324 5.730 -4.809 1.00 0.00 C ATOM 930 CD GLU A 60 -6.361 5.841 -6.320 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.817 4.880 -6.976 1.00 0.00 O ATOM 932 OE2 GLU A 60 -5.934 6.888 -6.850 1.00 0.00 O ATOM 0 H GLU A 60 -3.662 5.157 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.275 4.113 -2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.321 5.925 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.593 4.507 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.163 5.121 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.454 6.720 -4.373 1.00 0.00 H new ATOM 939 N LEU A 61 -5.180 1.928 -3.671 1.00 0.00 N ATOM 940 CA LEU A 61 -4.559 0.624 -3.825 1.00 0.00 C ATOM 941 C LEU A 61 -4.318 0.252 -5.285 1.00 0.00 C ATOM 942 O LEU A 61 -5.124 0.558 -6.165 1.00 0.00 O ATOM 943 CB LEU A 61 -5.406 -0.447 -3.136 1.00 0.00 C ATOM 944 CG LEU A 61 -4.791 -1.020 -1.862 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.432 -0.404 -0.627 1.00 0.00 C ATOM 946 CD2 LEU A 61 -4.921 -2.536 -1.845 1.00 0.00 C ATOM 0 H LEU A 61 -6.161 1.975 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.580 0.679 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.380 -0.022 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.580 -1.262 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.731 -0.768 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.978 -0.828 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.277 0.675 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.501 -0.617 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.478 -2.929 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.975 -2.811 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.404 -2.955 -2.708 1.00 0.00 H new ATOM 958 N LEU A 62 -3.195 -0.430 -5.514 1.00 0.00 N ATOM 959 CA LEU A 62 -2.800 -0.897 -6.842 1.00 0.00 C ATOM 960 C LEU A 62 -2.133 -2.265 -6.710 1.00 0.00 C ATOM 961 O LEU A 62 -1.330 -2.458 -5.808 1.00 0.00 O ATOM 962 CB LEU A 62 -1.836 0.093 -7.505 1.00 0.00 C ATOM 963 CG LEU A 62 -2.260 1.564 -7.452 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.687 2.248 -6.220 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.816 2.287 -8.715 1.00 0.00 C ATOM 0 H LEU A 62 -2.531 -0.675 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.688 -0.975 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.860 -0.003 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.711 -0.193 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.347 1.605 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.001 3.292 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.050 1.746 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.599 2.197 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.124 3.331 -8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.731 2.233 -8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.275 1.816 -9.584 1.00 0.00 H new ATOM 977 N GLN A 63 -2.464 -3.223 -7.579 1.00 0.00 N ATOM 978 CA GLN A 63 -1.860 -4.560 -7.471 1.00 0.00 C ATOM 979 C GLN A 63 -1.400 -5.130 -8.804 1.00 0.00 C ATOM 980 O GLN A 63 -2.031 -4.935 -9.839 1.00 0.00 O ATOM 981 CB GLN A 63 -2.817 -5.554 -6.798 1.00 0.00 C ATOM 982 CG GLN A 63 -2.136 -6.466 -5.786 1.00 0.00 C ATOM 983 CD GLN A 63 -2.009 -7.897 -6.267 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.111 -8.222 -7.032 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.900 -8.764 -5.811 1.00 0.00 N ATOM 0 H GLN A 63 -3.127 -3.108 -8.346 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.974 -4.423 -6.851 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.611 -4.999 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.290 -6.166 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.143 -6.074 -5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.701 -6.451 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.634 -8.454 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.852 -9.742 -6.096 1.00 0.00 H new ATOM 994 N ILE A 64 -0.294 -5.864 -8.733 1.00 0.00 N ATOM 995 CA ILE A 64 0.299 -6.521 -9.886 1.00 0.00 C ATOM 996 C ILE A 64 -0.024 -8.021 -9.844 1.00 0.00 C ATOM 997 O ILE A 64 0.449 -8.738 -8.953 1.00 0.00 O ATOM 998 CB ILE A 64 1.828 -6.334 -9.890 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.189 -4.876 -10.190 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.482 -7.269 -10.902 1.00 0.00 C ATOM 1001 CD1 ILE A 64 3.412 -4.392 -9.442 1.00 0.00 C ATOM 0 H ILE A 64 0.218 -6.019 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.115 -6.075 -10.790 1.00 0.00 H new ATOM 0 HB ILE A 64 2.207 -6.585 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.360 -4.765 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.341 -4.240 -9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.562 -7.121 -10.889 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.254 -8.303 -10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.098 -7.052 -11.899 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.610 -3.352 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.237 -4.471 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.272 -5.004 -9.715 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.835 -8.486 -10.795 1.00 0.00 N ATOM 1014 CA LEU A 65 -1.236 -9.886 -10.852 1.00 0.00 C ATOM 1015 C LEU A 65 -0.842 -10.521 -12.197 1.00 0.00 C ATOM 1016 O LEU A 65 0.129 -10.101 -12.828 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.753 -9.986 -10.609 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.217 -9.521 -9.223 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.175 -8.344 -9.326 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.876 -10.667 -8.476 1.00 0.00 C ATOM 0 H LEU A 65 -1.227 -7.908 -11.538 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.714 -10.442 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.267 -9.394 -11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.061 -11.022 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.337 -9.193 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.485 -8.039 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.676 -7.511 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.051 -8.638 -9.904 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.200 -10.323 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.739 -11.020 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.162 -11.482 -8.357 1.00 0.00 H new ATOM 1032 N SER A 66 -1.604 -11.525 -12.626 1.00 0.00 N ATOM 1033 CA SER A 66 -1.357 -12.218 -13.890 1.00 0.00 C ATOM 1034 C SER A 66 -2.508 -11.943 -14.846 1.00 0.00 C ATOM 1035 O SER A 66 -2.346 -11.224 -15.834 1.00 0.00 O ATOM 1036 CB SER A 66 -1.194 -13.725 -13.660 1.00 0.00 C ATOM 1037 OG SER A 66 -2.283 -14.251 -12.917 1.00 0.00 O ATOM 0 H SER A 66 -2.408 -11.881 -12.109 1.00 0.00 H new ATOM 0 HA SER A 66 -0.430 -11.846 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.124 -14.237 -14.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.262 -13.916 -13.129 1.00 0.00 H new ATOM 0 HG SER A 66 -2.155 -15.214 -12.786 1.00 0.00 H new ATOM 1043 N ASP A 67 -3.683 -12.482 -14.516 1.00 0.00 N ATOM 1044 CA ASP A 67 -4.883 -12.250 -15.320 1.00 0.00 C ATOM 1045 C ASP A 67 -5.214 -10.755 -15.327 1.00 0.00 C ATOM 1046 O ASP A 67 -5.871 -10.253 -16.241 1.00 0.00 O ATOM 1047 CB ASP A 67 -6.065 -13.058 -14.775 1.00 0.00 C ATOM 1048 CG ASP A 67 -5.724 -14.520 -14.559 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -5.643 -15.265 -15.558 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -5.534 -14.919 -13.390 1.00 0.00 O ATOM 0 H ASP A 67 -3.829 -13.079 -13.702 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.693 -12.579 -16.342 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.393 -12.622 -13.831 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.902 -12.983 -15.469 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.711 -10.050 -14.308 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.890 -8.615 -14.172 1.00 0.00 C ATOM 1057 C ASP A 68 -3.538 -7.992 -13.828 1.00 0.00 C ATOM 1058 O ASP A 68 -3.382 -7.346 -12.790 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.930 -8.299 -13.091 1.00 0.00 C ATOM 1060 CG ASP A 68 -7.351 -8.381 -13.614 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -7.935 -9.486 -13.578 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -7.881 -7.341 -14.056 1.00 0.00 O ATOM 0 H ASP A 68 -4.166 -10.469 -13.554 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.259 -8.196 -15.108 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.810 -8.995 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.748 -7.299 -12.697 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.559 -8.250 -14.711 1.00 0.00 N ATOM 1068 CA ARG A 69 -1.166 -7.786 -14.567 1.00 0.00 C ATOM 1069 C ARG A 69 -1.005 -6.614 -13.602 1.00 0.00 C ATOM 1070 O ARG A 69 -0.149 -6.656 -12.725 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.559 -7.433 -15.931 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.456 -6.596 -16.838 1.00 0.00 C ATOM 1073 CD ARG A 69 -1.283 -6.975 -18.301 1.00 0.00 C ATOM 1074 NE ARG A 69 0.035 -6.589 -18.817 1.00 0.00 N ATOM 1075 CZ ARG A 69 1.063 -7.427 -18.973 1.00 0.00 C ATOM 1076 NH1 ARG A 69 0.948 -8.714 -18.665 1.00 0.00 N ATOM 1077 NH2 ARG A 69 2.215 -6.972 -19.442 1.00 0.00 N ATOM 0 H ARG A 69 -2.714 -8.795 -15.559 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.622 -8.624 -14.132 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.373 -6.892 -15.768 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.305 -8.358 -16.449 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.498 -6.733 -16.547 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.224 -5.539 -16.705 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.416 -8.051 -18.415 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.060 -6.493 -18.895 1.00 0.00 H new ATOM 0 HE ARG A 69 0.176 -5.612 -19.075 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.065 -9.075 -18.304 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.743 -9.341 -18.790 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.314 -5.986 -19.682 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.003 -7.608 -19.563 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.828 -5.589 -13.757 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.778 -4.424 -12.881 1.00 0.00 C ATOM 1093 C LYS A 70 -3.169 -3.814 -12.718 1.00 0.00 C ATOM 1094 O LYS A 70 -3.879 -3.591 -13.700 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.801 -3.380 -13.421 1.00 0.00 C ATOM 1096 CG LYS A 70 0.597 -3.475 -12.829 1.00 0.00 C ATOM 1097 CD LYS A 70 1.489 -4.393 -13.651 1.00 0.00 C ATOM 1098 CE LYS A 70 2.112 -3.661 -14.827 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.351 -2.928 -14.437 1.00 0.00 N ATOM 0 H LYS A 70 -2.542 -5.538 -14.484 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.425 -4.751 -11.903 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.734 -3.486 -14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.202 -2.386 -13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.042 -2.481 -12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.536 -3.846 -11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.276 -4.800 -13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.905 -5.238 -14.016 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.347 -4.376 -15.616 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.389 -2.957 -15.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.744 -2.443 -15.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.123 -2.227 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.051 -3.602 -14.067 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.551 -3.555 -11.471 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.859 -2.981 -11.159 1.00 0.00 C ATOM 1115 C LEU A 71 -4.722 -1.821 -10.170 1.00 0.00 C ATOM 1116 O LEU A 71 -3.707 -1.705 -9.481 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.783 -4.072 -10.588 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.941 -4.079 -9.061 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -7.395 -3.874 -8.668 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.413 -5.377 -8.474 1.00 0.00 C ATOM 0 H LEU A 71 -2.969 -3.735 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.297 -2.589 -12.077 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.770 -3.958 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.402 -5.045 -10.900 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.356 -3.253 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.483 -3.883 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.744 -2.916 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.002 -4.676 -9.087 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.534 -5.362 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.969 -6.217 -8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.356 -5.484 -8.720 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.746 -0.970 -10.097 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.733 0.167 -9.187 1.00 0.00 C ATOM 1134 C LYS A 72 -7.159 0.619 -8.860 1.00 0.00 C ATOM 1135 O LYS A 72 -7.982 0.803 -9.758 1.00 0.00 O ATOM 1136 CB LYS A 72 -4.928 1.313 -9.801 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.293 2.685 -9.262 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.707 3.795 -10.123 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.827 5.154 -9.449 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.208 5.708 -9.548 1.00 0.00 N ATOM 0 H LYS A 72 -6.594 -1.050 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.258 -0.136 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.868 1.135 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.075 1.308 -10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.378 2.786 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.928 2.785 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.658 3.582 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.220 3.819 -11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.547 5.064 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.124 5.849 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.172 6.745 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.627 5.436 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.790 5.330 -8.774 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.440 0.794 -7.569 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.766 1.224 -7.117 1.00 0.00 C ATOM 1156 C ILE A 73 -8.661 2.377 -6.117 1.00 0.00 C ATOM 1157 O ILE A 73 -7.773 2.387 -5.261 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.548 0.058 -6.462 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.618 -1.150 -7.406 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.949 0.493 -6.042 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.510 -0.940 -8.614 1.00 0.00 C ATOM 0 H ILE A 73 -6.768 0.645 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.306 1.561 -8.002 1.00 0.00 H new ATOM 0 HB ILE A 73 -9.007 -0.237 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.611 -1.389 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.978 -2.014 -6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.470 -0.349 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.876 1.308 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.503 0.831 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.505 -1.839 -9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.528 -0.732 -8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.139 -0.098 -9.198 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.573 3.371 -6.221 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.595 4.542 -5.329 1.00 0.00 C ATOM 1175 C PRO A 74 -9.618 4.170 -3.841 1.00 0.00 C ATOM 1176 O PRO A 74 -9.613 2.991 -3.481 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.890 5.283 -5.716 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.652 4.354 -6.603 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.645 3.432 -7.226 1.00 0.00 C ATOM 0 HA PRO A 74 -8.692 5.141 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.471 5.540 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.665 6.217 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.391 3.792 -6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.195 4.908 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.069 2.447 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.282 3.818 -8.178 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.633 5.199 -2.985 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.645 5.032 -1.524 1.00 0.00 C ATOM 1189 C GLU A 75 -10.537 3.877 -1.054 1.00 0.00 C ATOM 1190 O GLU A 75 -10.256 3.262 -0.024 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.093 6.333 -0.850 1.00 0.00 C ATOM 1192 CG GLU A 75 -9.244 6.722 0.351 1.00 0.00 C ATOM 1193 CD GLU A 75 -9.269 5.676 1.451 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -10.348 5.462 2.044 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -8.209 5.072 1.719 1.00 0.00 O ATOM 0 H GLU A 75 -9.637 6.174 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.624 4.785 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.063 7.140 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.130 6.229 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.215 6.878 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.600 7.672 0.750 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.600 3.574 -1.801 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.504 2.480 -1.434 1.00 0.00 C ATOM 1204 C ASN A 76 -11.874 1.112 -1.742 1.00 0.00 C ATOM 1205 O ASN A 76 -12.462 0.284 -2.444 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.858 2.623 -2.152 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.728 2.744 -3.665 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -12.638 2.610 -4.219 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -14.841 2.996 -4.349 1.00 0.00 N ATOM 0 H ASN A 76 -11.856 4.066 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.676 2.539 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.480 1.759 -1.916 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.374 3.502 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.807 3.084 -5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.729 3.101 -3.858 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.673 0.883 -1.198 1.00 0.00 N ATOM 1217 CA ALA A 77 -9.949 -0.376 -1.397 1.00 0.00 C ATOM 1218 C ALA A 77 -10.730 -1.590 -0.884 1.00 0.00 C ATOM 1219 O ALA A 77 -10.385 -2.730 -1.197 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.577 -0.308 -0.739 1.00 0.00 C ATOM 0 H ALA A 77 -10.180 1.558 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.826 -0.508 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.051 -1.250 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.002 0.506 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.695 -0.131 0.330 1.00 0.00 H new ATOM 1226 N ASN A 78 -11.792 -1.338 -0.116 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.641 -2.402 0.418 1.00 0.00 C ATOM 1228 C ASN A 78 -12.997 -3.410 -0.681 1.00 0.00 C ATOM 1229 O ASN A 78 -13.000 -4.621 -0.453 1.00 0.00 O ATOM 1230 CB ASN A 78 -13.910 -1.778 1.023 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.194 -2.504 0.647 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.377 -3.676 0.969 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.092 -1.804 -0.038 1.00 0.00 N ATOM 0 H ASN A 78 -12.085 -0.398 0.151 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.102 -2.941 1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.815 -1.767 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.983 -0.740 0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.972 -2.238 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.901 -0.833 -0.285 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.286 -2.887 -1.872 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.639 -3.713 -3.028 1.00 0.00 C ATOM 1242 C VAL A 79 -12.392 -4.202 -3.771 1.00 0.00 C ATOM 1243 O VAL A 79 -12.388 -5.294 -4.341 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.540 -2.941 -4.015 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.350 -3.902 -4.875 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.455 -1.978 -3.269 1.00 0.00 C ATOM 0 H VAL A 79 -13.282 -1.885 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.184 -4.574 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.898 -2.357 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.977 -3.335 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.673 -4.540 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.980 -4.520 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.081 -1.444 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.087 -2.537 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.852 -1.263 -2.710 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.339 -3.380 -3.757 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.073 -3.701 -4.419 1.00 0.00 C ATOM 1258 C PHE A 80 -9.578 -5.108 -4.064 1.00 0.00 C ATOM 1259 O PHE A 80 -9.091 -5.834 -4.934 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.019 -2.655 -4.034 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.658 -2.897 -4.622 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -6.916 -4.008 -4.262 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -7.119 -2.007 -5.530 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.666 -4.222 -4.794 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.870 -2.215 -6.064 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.141 -3.322 -5.696 1.00 0.00 C ATOM 0 H PHE A 80 -11.341 -2.475 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.240 -3.682 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.368 -1.672 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.932 -2.628 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.323 -4.715 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.686 -1.136 -5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.097 -5.093 -4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.461 -1.510 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.158 -3.486 -6.113 1.00 0.00 H new ATOM 1276 N TYR A 81 -9.693 -5.484 -2.788 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.240 -6.796 -2.329 1.00 0.00 C ATOM 1278 C TYR A 81 -9.970 -7.938 -3.037 1.00 0.00 C ATOM 1279 O TYR A 81 -9.379 -8.985 -3.308 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.395 -6.911 -0.814 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.164 -6.458 -0.064 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -7.582 -5.226 -0.333 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -7.579 -7.264 0.900 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -6.452 -4.812 0.340 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.449 -6.853 1.578 1.00 0.00 C ATOM 1286 CZ TYR A 81 -5.888 -5.628 1.295 1.00 0.00 C ATOM 1287 OH TYR A 81 -4.764 -5.219 1.974 1.00 0.00 O ATOM 0 H TYR A 81 -10.096 -4.898 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.184 -6.885 -2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.250 -6.315 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.613 -7.947 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.021 -4.582 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.013 -8.227 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.011 -3.851 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.006 -7.491 2.329 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.635 -5.785 2.764 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.247 -7.729 -3.351 1.00 0.00 N ATOM 1298 CA ALA A 82 -12.039 -8.740 -4.044 1.00 0.00 C ATOM 1299 C ALA A 82 -11.655 -8.841 -5.527 1.00 0.00 C ATOM 1300 O ALA A 82 -12.016 -9.807 -6.201 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.524 -8.435 -3.900 1.00 0.00 C ATOM 0 H ALA A 82 -11.754 -6.870 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.827 -9.704 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.104 -9.196 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.794 -8.433 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.738 -7.457 -4.331 1.00 0.00 H new ATOM 1307 N MET A 83 -10.927 -7.837 -6.031 1.00 0.00 N ATOM 1308 CA MET A 83 -10.508 -7.817 -7.434 1.00 0.00 C ATOM 1309 C MET A 83 -9.069 -8.310 -7.613 1.00 0.00 C ATOM 1310 O MET A 83 -8.773 -9.036 -8.562 1.00 0.00 O ATOM 1311 CB MET A 83 -10.649 -6.405 -8.015 1.00 0.00 C ATOM 1312 CG MET A 83 -12.092 -5.953 -8.184 1.00 0.00 C ATOM 1313 SD MET A 83 -13.063 -7.080 -9.205 1.00 0.00 S ATOM 1314 CE MET A 83 -12.039 -7.184 -10.672 1.00 0.00 C ATOM 0 H MET A 83 -10.618 -7.031 -5.488 1.00 0.00 H new ATOM 0 HA MET A 83 -11.164 -8.500 -7.974 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.131 -5.701 -7.364 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.151 -6.369 -8.984 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.558 -5.866 -7.202 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.107 -4.960 -8.633 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.626 -7.585 -11.498 1.00 0.00 H new ATOM 0 HE2 MET A 83 -11.677 -6.190 -10.934 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.190 -7.840 -10.478 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.176 -7.899 -6.712 1.00 0.00 N ATOM 1325 CA ASN A 84 -6.762 -8.287 -6.793 1.00 0.00 C ATOM 1326 C ASN A 84 -6.485 -9.679 -6.189 1.00 0.00 C ATOM 1327 O ASN A 84 -5.437 -9.900 -5.578 1.00 0.00 O ATOM 1328 CB ASN A 84 -5.892 -7.213 -6.108 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.702 -7.432 -4.613 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.619 -7.198 -4.082 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.740 -7.882 -3.922 1.00 0.00 N ATOM 0 H ASN A 84 -8.403 -7.299 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.502 -8.356 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.914 -7.191 -6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.347 -6.235 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.653 -8.044 -2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.625 -8.066 -4.394 1.00 0.00 H new ATOM 1338 N SER A 85 -7.409 -10.621 -6.371 1.00 0.00 N ATOM 1339 CA SER A 85 -7.227 -11.974 -5.838 1.00 0.00 C ATOM 1340 C SER A 85 -7.375 -13.042 -6.932 1.00 0.00 C ATOM 1341 O SER A 85 -8.086 -14.033 -6.748 1.00 0.00 O ATOM 1342 CB SER A 85 -8.223 -12.236 -4.698 1.00 0.00 C ATOM 1343 OG SER A 85 -8.047 -11.304 -3.642 1.00 0.00 O ATOM 0 H SER A 85 -8.283 -10.477 -6.877 1.00 0.00 H new ATOM 0 HA SER A 85 -6.211 -12.041 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.242 -12.171 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.089 -13.249 -4.319 1.00 0.00 H new ATOM 0 HG SER A 85 -8.692 -10.573 -3.740 1.00 0.00 H new ATOM 1349 N THR A 86 -6.697 -12.844 -8.069 1.00 0.00 N ATOM 1350 CA THR A 86 -6.762 -13.803 -9.177 1.00 0.00 C ATOM 1351 C THR A 86 -5.566 -14.763 -9.165 1.00 0.00 C ATOM 1352 O THR A 86 -5.711 -15.939 -9.501 1.00 0.00 O ATOM 1353 CB THR A 86 -6.863 -13.070 -10.527 1.00 0.00 C ATOM 1354 OG1 THR A 86 -7.460 -13.906 -11.506 1.00 0.00 O ATOM 1355 CG2 THR A 86 -5.534 -12.589 -11.084 1.00 0.00 C ATOM 0 H THR A 86 -6.102 -12.035 -8.245 1.00 0.00 H new ATOM 0 HA THR A 86 -7.663 -14.402 -9.042 1.00 0.00 H new ATOM 0 HB THR A 86 -7.473 -12.192 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.775 -14.214 -12.135 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.700 -12.084 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.075 -11.895 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.873 -13.442 -11.236 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.391 -14.262 -8.774 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.184 -15.089 -8.718 1.00 0.00 C ATOM 1365 C ALA A 87 -2.131 -14.489 -7.784 1.00 0.00 C ATOM 1366 O ALA A 87 -2.052 -14.853 -6.609 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.621 -15.293 -10.120 1.00 0.00 C ATOM 0 H ALA A 87 -4.251 -13.292 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.459 -16.061 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.724 -15.909 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.365 -15.790 -10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.371 -14.326 -10.556 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.324 -13.570 -8.316 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.271 -12.915 -7.537 1.00 0.00 C ATOM 1375 C ASN A 88 -0.869 -11.961 -6.501 1.00 0.00 C ATOM 1376 O ASN A 88 -2.047 -11.610 -6.578 1.00 0.00 O ATOM 1377 CB ASN A 88 0.682 -12.150 -8.468 1.00 0.00 C ATOM 1378 CG ASN A 88 2.006 -11.815 -7.801 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.323 -10.647 -7.586 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.786 -12.838 -7.464 1.00 0.00 N ATOM 0 H ASN A 88 -1.380 -13.261 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 88 0.289 -13.687 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.870 -12.747 -9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.201 -11.229 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.683 -12.667 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.487 -13.793 -7.660 1.00 0.00 H new ATOM 1387 N TYR A 89 -0.056 -11.542 -5.531 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.533 -10.630 -4.496 1.00 0.00 C ATOM 1389 C TYR A 89 0.509 -9.558 -4.167 1.00 0.00 C ATOM 1390 O TYR A 89 0.880 -9.363 -3.006 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.947 -11.408 -3.239 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.390 -11.180 -2.848 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.901 -9.894 -2.729 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -3.243 -12.249 -2.602 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.218 -9.679 -2.373 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.564 -12.040 -2.246 1.00 0.00 C ATOM 1397 CZ TYR A 89 -5.044 -10.753 -2.133 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.356 -10.540 -1.777 1.00 0.00 O ATOM 0 H TYR A 89 0.922 -11.816 -5.442 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.413 -10.116 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.787 -12.473 -3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.302 -11.117 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.257 -9.048 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.869 -13.258 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.598 -8.672 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.215 -12.881 -2.058 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.944 -11.032 -2.387 1.00 0.00 H new ATOM 1408 N ASP A 90 0.961 -8.849 -5.205 1.00 0.00 N ATOM 1409 CA ASP A 90 1.942 -7.777 -5.045 1.00 0.00 C ATOM 1410 C ASP A 90 1.293 -6.444 -5.365 1.00 0.00 C ATOM 1411 O ASP A 90 1.022 -6.136 -6.524 1.00 0.00 O ATOM 1412 CB ASP A 90 3.150 -8.037 -5.945 1.00 0.00 C ATOM 1413 CG ASP A 90 4.191 -6.942 -5.872 1.00 0.00 C ATOM 1414 OD1 ASP A 90 5.072 -7.020 -4.991 1.00 0.00 O ATOM 1415 OD2 ASP A 90 4.131 -6.009 -6.699 1.00 0.00 O ATOM 0 H ASP A 90 0.661 -9.000 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 90 2.292 -7.749 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.608 -8.985 -5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.812 -8.140 -6.976 1.00 0.00 H new ATOM 1420 N PHE A 91 0.997 -5.675 -4.321 1.00 0.00 N ATOM 1421 CA PHE A 91 0.321 -4.407 -4.497 1.00 0.00 C ATOM 1422 C PHE A 91 1.102 -3.203 -3.990 1.00 0.00 C ATOM 1423 O PHE A 91 1.944 -3.297 -3.095 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.060 -4.498 -3.852 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.189 -3.872 -2.512 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -0.918 -4.615 -1.390 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -1.614 -2.564 -2.372 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.065 -4.073 -0.139 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.757 -2.007 -1.121 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.485 -2.764 0.003 1.00 0.00 C ATOM 0 H PHE A 91 1.216 -5.911 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 91 0.229 -4.231 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.784 -4.033 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.333 -5.550 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.585 -5.637 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.835 -1.975 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.852 -4.669 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.081 -0.982 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.600 -2.335 0.987 1.00 0.00 H new ATOM 1440 N VAL A 92 0.777 -2.066 -4.589 1.00 0.00 N ATOM 1441 CA VAL A 92 1.385 -0.791 -4.255 1.00 0.00 C ATOM 1442 C VAL A 92 0.381 0.098 -3.532 1.00 0.00 C ATOM 1443 O VAL A 92 -0.697 0.393 -4.053 1.00 0.00 O ATOM 1444 CB VAL A 92 1.900 -0.058 -5.514 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.508 1.289 -5.148 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.910 -0.916 -6.261 1.00 0.00 C ATOM 0 H VAL A 92 0.076 -2.005 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 92 2.235 -0.996 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 92 1.049 0.121 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.863 1.785 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.753 1.910 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.344 1.137 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.260 -0.381 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.756 -1.132 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.439 -1.850 -6.566 1.00 0.00 H new ATOM 1456 N LEU A 93 0.748 0.523 -2.333 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.099 1.385 -1.526 1.00 0.00 C ATOM 1458 C LEU A 93 0.299 2.844 -1.749 1.00 0.00 C ATOM 1459 O LEU A 93 1.275 3.330 -1.175 1.00 0.00 O ATOM 1460 CB LEU A 93 0.019 0.988 -0.046 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.461 2.033 0.951 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.976 1.980 1.090 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.206 1.829 2.303 1.00 0.00 C ATOM 0 H LEU A 93 1.637 0.281 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.141 1.268 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.549 0.071 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.063 0.758 0.169 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.183 3.018 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.302 2.734 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.437 2.176 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.275 0.992 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.150 2.586 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.040 0.838 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.287 1.917 2.192 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.450 3.526 -2.614 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.169 4.922 -2.947 1.00 0.00 C ATOM 1477 C LYS A 94 -1.200 5.862 -2.327 1.00 0.00 C ATOM 1478 O LYS A 94 -2.389 5.761 -2.612 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.149 5.104 -4.468 1.00 0.00 C ATOM 1480 CG LYS A 94 1.167 4.701 -5.114 1.00 0.00 C ATOM 1481 CD LYS A 94 1.105 4.816 -6.630 1.00 0.00 C ATOM 1482 CE LYS A 94 1.115 6.270 -7.085 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.501 6.794 -7.245 1.00 0.00 N ATOM 0 H LYS A 94 -1.258 3.134 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 94 0.809 5.174 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.954 4.515 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.354 6.148 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.969 5.334 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.411 3.676 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.953 4.291 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.202 4.326 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.583 6.357 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.578 6.881 -6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.493 7.602 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.865 7.101 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.113 6.045 -7.627 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.731 6.783 -1.487 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.605 7.749 -0.828 1.00 0.00 C ATOM 1499 C LYS A 95 -2.374 8.587 -1.854 1.00 0.00 C ATOM 1500 O LYS A 95 -1.810 9.042 -2.851 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.778 8.648 0.093 1.00 0.00 C ATOM 1502 CG LYS A 95 -1.601 9.567 0.981 1.00 0.00 C ATOM 1503 CD LYS A 95 -1.010 9.664 2.379 1.00 0.00 C ATOM 1504 CE LYS A 95 -0.312 10.990 2.613 1.00 0.00 C ATOM 1505 NZ LYS A 95 0.916 10.831 3.443 1.00 0.00 N ATOM 0 H LYS A 95 0.255 6.880 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.337 7.205 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.150 8.020 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.110 9.256 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.648 10.560 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.624 9.196 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.802 9.537 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.301 8.850 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.047 11.435 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.997 11.679 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.428 11.735 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.649 10.542 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.529 10.104 3.021 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.666 8.781 -1.597 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.531 9.551 -2.481 1.00 0.00 C ATOM 1521 C ARG A 96 -4.342 11.051 -2.253 1.00 0.00 C ATOM 1522 O ARG A 96 -4.862 11.614 -1.287 1.00 0.00 O ATOM 1523 CB ARG A 96 -5.995 9.151 -2.250 1.00 0.00 C ATOM 1524 CG ARG A 96 -6.990 9.897 -3.127 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.672 11.026 -2.368 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.506 10.531 -1.267 1.00 0.00 N ATOM 1527 CZ ARG A 96 -8.152 10.561 0.023 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -6.969 11.033 0.397 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.990 10.105 0.943 1.00 0.00 N ATOM 0 H ARG A 96 -4.139 8.410 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.262 9.332 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.100 8.081 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.247 9.325 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.475 10.303 -3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.742 9.201 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.916 11.704 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.288 11.604 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.417 10.137 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.314 11.380 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.715 11.049 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.899 9.734 0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.726 10.125 1.928 1.00 0.00 H new ATOM 1543 N THR A 97 -3.589 11.688 -3.147 1.00 0.00 N ATOM 1544 CA THR A 97 -3.323 13.123 -3.052 1.00 0.00 C ATOM 1545 C THR A 97 -3.073 13.729 -4.436 1.00 0.00 C ATOM 1546 O THR A 97 -2.447 13.050 -5.282 1.00 0.00 O ATOM 1547 CB THR A 97 -2.130 13.387 -2.122 1.00 0.00 C ATOM 1548 OG1 THR A 97 -2.037 14.765 -1.803 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.795 12.961 -2.699 1.00 0.00 C ATOM 1550 OXT THR A 97 -3.511 14.876 -4.665 1.00 0.00 O ATOM 0 H THR A 97 -3.151 11.232 -3.948 1.00 0.00 H new ATOM 0 HA THR A 97 -4.205 13.604 -2.630 1.00 0.00 H new ATOM 0 HB THR A 97 -2.327 12.783 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.272 14.912 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.003 13.180 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.812 11.891 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.608 13.505 -3.625 1.00 0.00 H new TER 1558 THR A 97