USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 536 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 39 MET CE :methyl 158:sc= -0.254 (180deg=-0.899) USER MOD Set 1.2: A 50 TYR OH : rot 88:sc= 0.769 USER MOD Set 2.1: A 35 TYR OH : rot -53:sc= 0.244 USER MOD Set 2.2: A 63 GLN :FLIP amide:sc= 0.228 F(o=-0.032,f=0.47) USER MOD Set 3.1: A 12 ASN :FLIP amide:sc= 0.431 F(o=-1.4!,f=1) USER MOD Set 3.2: A 24 SER OG : rot -158:sc= 0.571 USER MOD Single : A 7 ASN : amide:sc= -0.995 K(o=-1,f=-1.5) USER MOD Single : A 8 GLN : amide:sc=-0.00856 K(o=-0.0086,f=-1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00861 USER MOD Single : A 13 TYR OH : rot -165:sc= 1.22 USER MOD Single : A 17 ASN : amide:sc= -0.0696 K(o=-0.07,f=-1.1) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0169 K(o=-0.017,f=-0.54) USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= -0.0252 (180deg=-0.154) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.111 (180deg=-0.537) USER MOD Single : A 45 TYR OH : rot -179:sc= 1.28 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= 0.515 (180deg=-0.167) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 92:sc= 1.15 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4.5!) USER MOD Single : A 69 TYR OH : rot -116:sc= 0.417 USER MOD Single : A 70 GLN : amide:sc= 1.19 K(o=1.2,f=-0.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.0225 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 11.990 9.510 2.932 1.00 0.00 N ATOM 96 CA ASN A 7 11.895 8.331 2.080 1.00 0.00 C ATOM 97 C ASN A 7 10.439 8.050 1.742 1.00 0.00 C ATOM 98 O ASN A 7 9.537 8.728 2.242 1.00 0.00 O ATOM 99 CB ASN A 7 12.538 7.110 2.750 1.00 0.00 C ATOM 100 CG ASN A 7 14.042 7.259 2.924 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.708 7.953 2.154 1.00 0.00 O ATOM 102 ND2 ASN A 7 14.593 6.584 3.920 1.00 0.00 N ATOM 0 HA ASN A 7 12.441 8.529 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.078 6.952 3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.332 6.222 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.601 6.628 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.010 6.020 4.538 1.00 0.00 H new ATOM 109 N GLN A 8 10.203 7.057 0.899 1.00 0.00 N ATOM 110 CA GLN A 8 8.863 6.813 0.390 1.00 0.00 C ATOM 111 C GLN A 8 8.485 5.342 0.508 1.00 0.00 C ATOM 112 O GLN A 8 9.322 4.458 0.316 1.00 0.00 O ATOM 113 CB GLN A 8 8.775 7.243 -1.077 1.00 0.00 C ATOM 114 CG GLN A 8 9.306 8.642 -1.336 1.00 0.00 C ATOM 115 CD GLN A 8 9.343 8.986 -2.809 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.475 8.107 -3.657 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.244 10.265 -3.124 1.00 0.00 N ATOM 0 H GLN A 8 10.915 6.412 0.555 1.00 0.00 H new ATOM 0 HA GLN A 8 8.166 7.398 0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.332 6.533 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.735 7.193 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.682 9.366 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.310 8.728 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.135 10.964 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.276 10.553 -4.102 1.00 0.00 H new ATOM 126 N VAL A 9 7.228 5.091 0.842 1.00 0.00 N ATOM 127 CA VAL A 9 6.680 3.746 0.819 1.00 0.00 C ATOM 128 C VAL A 9 5.506 3.690 -0.149 1.00 0.00 C ATOM 129 O VAL A 9 4.585 4.509 -0.073 1.00 0.00 O ATOM 130 CB VAL A 9 6.238 3.254 2.221 1.00 0.00 C ATOM 131 CG1 VAL A 9 7.442 3.046 3.126 1.00 0.00 C ATOM 132 CG2 VAL A 9 5.251 4.216 2.862 1.00 0.00 C ATOM 0 H VAL A 9 6.565 5.809 1.134 1.00 0.00 H new ATOM 0 HA VAL A 9 7.474 3.077 0.486 1.00 0.00 H new ATOM 0 HB VAL A 9 5.735 2.296 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.107 2.701 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.104 2.300 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.980 3.987 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.962 3.840 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.716 5.196 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.366 4.303 2.232 1.00 0.00 H new ATOM 142 N THR A 10 5.537 2.741 -1.067 1.00 0.00 N ATOM 143 CA THR A 10 4.525 2.662 -2.101 1.00 0.00 C ATOM 144 C THR A 10 3.346 1.816 -1.648 1.00 0.00 C ATOM 145 O THR A 10 3.477 0.618 -1.397 1.00 0.00 O ATOM 146 CB THR A 10 5.112 2.108 -3.414 1.00 0.00 C ATOM 147 OG1 THR A 10 5.920 0.950 -3.149 1.00 0.00 O ATOM 148 CG2 THR A 10 5.948 3.168 -4.117 1.00 0.00 C ATOM 0 H THR A 10 6.252 2.015 -1.116 1.00 0.00 H new ATOM 0 HA THR A 10 4.168 3.675 -2.289 1.00 0.00 H new ATOM 0 HB THR A 10 4.284 1.825 -4.065 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.286 0.607 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.354 2.757 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.323 4.031 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.767 3.476 -3.467 1.00 0.00 H new ATOM 156 N VAL A 11 2.201 2.460 -1.516 1.00 0.00 N ATOM 157 CA VAL A 11 0.982 1.798 -1.093 1.00 0.00 C ATOM 158 C VAL A 11 0.211 1.298 -2.306 1.00 0.00 C ATOM 159 O VAL A 11 -0.318 2.090 -3.092 1.00 0.00 O ATOM 160 CB VAL A 11 0.088 2.742 -0.262 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.203 2.049 0.143 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.842 3.240 0.963 1.00 0.00 C ATOM 0 H VAL A 11 2.090 3.457 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 11 1.262 0.953 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.174 3.601 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.816 2.735 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.749 1.746 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.971 1.169 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.200 3.905 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.134 2.391 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.733 3.781 0.646 1.00 0.00 H new ATOM 172 N ASN A 12 0.170 -0.016 -2.459 1.00 0.00 N ATOM 173 CA ASN A 12 -0.504 -0.645 -3.587 1.00 0.00 C ATOM 174 C ASN A 12 -1.848 -1.216 -3.159 1.00 0.00 C ATOM 175 O ASN A 12 -1.914 -2.029 -2.239 1.00 0.00 O ATOM 176 CB ASN A 12 0.357 -1.769 -4.179 1.00 0.00 C ATOM 177 CG ASN A 12 1.602 -1.270 -4.891 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.496 -0.142 -5.569 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 2.645 -1.919 -4.860 1.00 0.00 N flip ATOM 0 H ASN A 12 0.600 -0.675 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.663 0.121 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.653 -2.448 -3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.246 -2.346 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.690 -2.786 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.466 -1.590 -5.369 1.00 0.00 H new ATOM 186 N TYR A 13 -2.913 -0.783 -3.818 1.00 0.00 N ATOM 187 CA TYR A 13 -4.236 -1.346 -3.576 1.00 0.00 C ATOM 188 C TYR A 13 -4.473 -2.486 -4.554 1.00 0.00 C ATOM 189 O TYR A 13 -4.770 -2.257 -5.730 1.00 0.00 O ATOM 190 CB TYR A 13 -5.322 -0.277 -3.735 1.00 0.00 C ATOM 191 CG TYR A 13 -5.168 0.902 -2.800 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.398 2.003 -3.160 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.794 0.919 -1.559 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.258 3.083 -2.311 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.659 1.997 -0.705 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.889 3.075 -1.086 1.00 0.00 C ATOM 197 OH TYR A 13 -4.754 4.154 -0.238 1.00 0.00 O ATOM 0 H TYR A 13 -2.889 -0.046 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.284 -1.720 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.313 0.085 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.296 -0.736 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.902 2.013 -4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.396 0.075 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.657 3.930 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.154 1.995 0.255 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.051 3.902 0.661 1.00 0.00 H new ATOM 207 N LEU A 14 -4.320 -3.712 -4.078 1.00 0.00 N ATOM 208 CA LEU A 14 -4.305 -4.860 -4.966 1.00 0.00 C ATOM 209 C LEU A 14 -5.557 -5.709 -4.838 1.00 0.00 C ATOM 210 O LEU A 14 -6.200 -5.755 -3.789 1.00 0.00 O ATOM 211 CB LEU A 14 -3.078 -5.728 -4.689 1.00 0.00 C ATOM 212 CG LEU A 14 -1.735 -5.006 -4.774 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.596 -5.990 -4.576 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.594 -4.288 -6.105 1.00 0.00 C ATOM 0 H LEU A 14 -4.205 -3.935 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.268 -4.470 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.177 -6.161 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.072 -6.556 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.693 -4.260 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.356 -5.462 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.687 -6.459 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.638 -6.756 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.630 -3.780 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.656 -5.012 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.394 -3.556 -6.210 1.00 0.00 H new ATOM 226 N ASP A 15 -5.886 -6.365 -5.938 1.00 0.00 N ATOM 227 CA ASP A 15 -6.919 -7.392 -5.970 1.00 0.00 C ATOM 228 C ASP A 15 -6.347 -8.676 -5.356 1.00 0.00 C ATOM 229 O ASP A 15 -5.192 -8.700 -4.933 1.00 0.00 O ATOM 230 CB ASP A 15 -7.352 -7.614 -7.438 1.00 0.00 C ATOM 231 CG ASP A 15 -8.448 -8.653 -7.627 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.642 -8.300 -7.546 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.113 -9.830 -7.885 1.00 0.00 O ATOM 0 H ASP A 15 -5.442 -6.200 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.794 -7.091 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.695 -6.665 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.480 -7.916 -8.018 1.00 0.00 H new ATOM 238 N GLU A 16 -7.135 -9.732 -5.321 1.00 0.00 N ATOM 239 CA GLU A 16 -6.684 -11.020 -4.809 1.00 0.00 C ATOM 240 C GLU A 16 -5.737 -11.667 -5.816 1.00 0.00 C ATOM 241 O GLU A 16 -4.882 -12.480 -5.461 1.00 0.00 O ATOM 242 CB GLU A 16 -7.884 -11.929 -4.526 1.00 0.00 C ATOM 243 CG GLU A 16 -7.510 -13.287 -3.950 1.00 0.00 C ATOM 244 CD GLU A 16 -8.719 -14.158 -3.687 1.00 0.00 C ATOM 245 OE1 GLU A 16 -9.369 -14.593 -4.662 1.00 0.00 O ATOM 246 OE2 GLU A 16 -9.023 -14.423 -2.508 1.00 0.00 O ATOM 0 H GLU A 16 -8.102 -9.727 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.148 -10.868 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.554 -11.423 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.439 -12.079 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.841 -13.799 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.960 -13.144 -3.020 1.00 0.00 H new ATOM 253 N ASN A 17 -5.897 -11.291 -7.083 1.00 0.00 N ATOM 254 CA ASN A 17 -4.940 -11.647 -8.126 1.00 0.00 C ATOM 255 C ASN A 17 -3.786 -10.654 -8.104 1.00 0.00 C ATOM 256 O ASN A 17 -2.915 -10.659 -8.973 1.00 0.00 O ATOM 257 CB ASN A 17 -5.614 -11.657 -9.500 1.00 0.00 C ATOM 258 CG ASN A 17 -6.459 -12.898 -9.732 1.00 0.00 C ATOM 259 OD1 ASN A 17 -6.128 -13.987 -9.262 1.00 0.00 O ATOM 260 ND2 ASN A 17 -7.565 -12.741 -10.443 1.00 0.00 N ATOM 0 H ASN A 17 -6.687 -10.736 -7.413 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.559 -12.650 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.242 -10.772 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.850 -11.593 -10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.176 -13.538 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.806 -11.823 -10.816 1.00 0.00 H new ATOM 267 N ASN A 18 -3.824 -9.793 -7.092 1.00 0.00 N ATOM 268 CA ASN A 18 -2.775 -8.823 -6.802 1.00 0.00 C ATOM 269 C ASN A 18 -2.663 -7.743 -7.873 1.00 0.00 C ATOM 270 O ASN A 18 -1.661 -7.032 -7.942 1.00 0.00 O ATOM 271 CB ASN A 18 -1.414 -9.511 -6.612 1.00 0.00 C ATOM 272 CG ASN A 18 -1.345 -10.361 -5.355 1.00 0.00 C ATOM 273 OD1 ASN A 18 -1.709 -11.536 -5.364 1.00 0.00 O ATOM 274 ND2 ASN A 18 -0.860 -9.781 -4.266 1.00 0.00 N ATOM 0 H ASN A 18 -4.604 -9.750 -6.436 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.062 -8.337 -5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.207 -10.138 -7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.632 -8.752 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.779 -10.312 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.568 -8.804 -4.296 1.00 0.00 H new ATOM 281 N THR A 19 -3.691 -7.607 -8.693 1.00 0.00 N ATOM 282 CA THR A 19 -3.723 -6.563 -9.706 1.00 0.00 C ATOM 283 C THR A 19 -4.046 -5.216 -9.057 1.00 0.00 C ATOM 284 O THR A 19 -4.888 -5.147 -8.163 1.00 0.00 O ATOM 285 CB THR A 19 -4.777 -6.881 -10.784 1.00 0.00 C ATOM 286 OG1 THR A 19 -4.623 -8.237 -11.225 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.646 -5.945 -11.974 1.00 0.00 C ATOM 0 H THR A 19 -4.516 -8.207 -8.678 1.00 0.00 H new ATOM 0 HA THR A 19 -2.742 -6.514 -10.179 1.00 0.00 H new ATOM 0 HB THR A 19 -5.765 -6.742 -10.344 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.296 -8.437 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.403 -6.194 -12.718 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.786 -4.916 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.655 -6.053 -12.415 1.00 0.00 H new ATOM 295 N SER A 20 -3.368 -4.160 -9.488 1.00 0.00 N ATOM 296 CA SER A 20 -3.616 -2.827 -8.952 1.00 0.00 C ATOM 297 C SER A 20 -4.999 -2.334 -9.371 1.00 0.00 C ATOM 298 O SER A 20 -5.228 -2.015 -10.538 1.00 0.00 O ATOM 299 CB SER A 20 -2.538 -1.855 -9.431 1.00 0.00 C ATOM 300 OG SER A 20 -1.248 -2.290 -9.034 1.00 0.00 O ATOM 0 H SER A 20 -2.644 -4.200 -10.205 1.00 0.00 H new ATOM 0 HA SER A 20 -3.581 -2.878 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.578 -1.768 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.732 -0.862 -9.025 1.00 0.00 H new ATOM 0 HG SER A 20 -0.575 -1.653 -9.353 1.00 0.00 H new ATOM 306 N ILE A 21 -5.925 -2.289 -8.420 1.00 0.00 N ATOM 307 CA ILE A 21 -7.298 -1.894 -8.714 1.00 0.00 C ATOM 308 C ILE A 21 -7.478 -0.387 -8.589 1.00 0.00 C ATOM 309 O ILE A 21 -8.458 0.173 -9.082 1.00 0.00 O ATOM 310 CB ILE A 21 -8.316 -2.604 -7.794 1.00 0.00 C ATOM 311 CG1 ILE A 21 -8.006 -2.319 -6.317 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.317 -4.103 -8.067 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.017 -2.903 -5.357 1.00 0.00 C ATOM 0 H ILE A 21 -5.751 -2.520 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.490 -2.197 -9.743 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.310 -2.213 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.020 -2.718 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.958 -1.240 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.039 -4.592 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.590 -4.283 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.323 -4.508 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.730 -2.660 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.002 -2.485 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.049 -3.986 -5.477 1.00 0.00 H new ATOM 325 N ALA A 22 -6.538 0.261 -7.921 1.00 0.00 N ATOM 326 CA ALA A 22 -6.589 1.702 -7.733 1.00 0.00 C ATOM 327 C ALA A 22 -5.221 2.321 -7.983 1.00 0.00 C ATOM 328 O ALA A 22 -4.202 1.641 -7.856 1.00 0.00 O ATOM 329 CB ALA A 22 -7.071 2.034 -6.331 1.00 0.00 C ATOM 0 H ALA A 22 -5.727 -0.190 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.293 2.120 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.104 3.116 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.068 1.620 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.387 1.604 -5.600 1.00 0.00 H new ATOM 335 N PRO A 23 -5.183 3.612 -8.360 1.00 0.00 N ATOM 336 CA PRO A 23 -3.929 4.350 -8.515 1.00 0.00 C ATOM 337 C PRO A 23 -3.123 4.359 -7.222 1.00 0.00 C ATOM 338 O PRO A 23 -3.505 5.004 -6.242 1.00 0.00 O ATOM 339 CB PRO A 23 -4.379 5.769 -8.878 1.00 0.00 C ATOM 340 CG PRO A 23 -5.752 5.603 -9.426 1.00 0.00 C ATOM 341 CD PRO A 23 -6.354 4.446 -8.680 1.00 0.00 C ATOM 0 HA PRO A 23 -3.278 3.902 -9.266 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.378 6.420 -8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.712 6.220 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.342 6.509 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.724 5.405 -10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.874 4.773 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.079 3.907 -9.289 1.00 0.00 H new ATOM 349 N SER A 24 -2.024 3.624 -7.224 1.00 0.00 N ATOM 350 CA SER A 24 -1.189 3.486 -6.046 1.00 0.00 C ATOM 351 C SER A 24 -0.497 4.801 -5.710 1.00 0.00 C ATOM 352 O SER A 24 -0.207 5.610 -6.593 1.00 0.00 O ATOM 353 CB SER A 24 -0.156 2.388 -6.279 1.00 0.00 C ATOM 354 OG SER A 24 -0.790 1.154 -6.587 1.00 0.00 O ATOM 0 H SER A 24 -1.688 3.109 -8.038 1.00 0.00 H new ATOM 0 HA SER A 24 -1.821 3.215 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.508 2.674 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.464 2.271 -5.390 1.00 0.00 H new ATOM 0 HG SER A 24 -0.178 0.414 -6.393 1.00 0.00 H new ATOM 360 N LEU A 25 -0.235 5.012 -4.431 1.00 0.00 N ATOM 361 CA LEU A 25 0.382 6.247 -3.980 1.00 0.00 C ATOM 362 C LEU A 25 1.610 5.946 -3.134 1.00 0.00 C ATOM 363 O LEU A 25 1.784 4.827 -2.662 1.00 0.00 O ATOM 364 CB LEU A 25 -0.635 7.105 -3.208 1.00 0.00 C ATOM 365 CG LEU A 25 -1.396 6.402 -2.073 1.00 0.00 C ATOM 366 CD1 LEU A 25 -0.554 6.326 -0.806 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.709 7.118 -1.798 1.00 0.00 C ATOM 0 H LEU A 25 -0.440 4.344 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 25 0.706 6.818 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.110 7.963 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.364 7.494 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.610 5.382 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.121 5.823 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.359 5.767 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.297 7.334 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.239 6.610 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.507 8.149 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.324 7.109 -2.698 1.00 0.00 H new ATOM 379 N TYR A 26 2.455 6.941 -2.950 1.00 0.00 N ATOM 380 CA TYR A 26 3.672 6.767 -2.178 1.00 0.00 C ATOM 381 C TYR A 26 3.671 7.698 -0.972 1.00 0.00 C ATOM 382 O TYR A 26 3.701 8.921 -1.113 1.00 0.00 O ATOM 383 CB TYR A 26 4.912 7.002 -3.058 1.00 0.00 C ATOM 384 CG TYR A 26 4.906 8.319 -3.811 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.162 8.472 -4.975 1.00 0.00 C ATOM 386 CD2 TYR A 26 5.637 9.410 -3.353 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.146 9.670 -5.660 1.00 0.00 C ATOM 388 CE2 TYR A 26 5.622 10.613 -4.032 1.00 0.00 C ATOM 389 CZ TYR A 26 4.876 10.738 -5.184 1.00 0.00 C ATOM 390 OH TYR A 26 4.853 11.938 -5.858 1.00 0.00 O ATOM 0 H TYR A 26 2.322 7.880 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 26 3.710 5.740 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.802 6.961 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.992 6.187 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.586 7.639 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.226 9.315 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.564 9.770 -6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.192 11.452 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 26 5.419 12.587 -5.390 1.00 0.00 H new ATOM 400 N LEU A 27 3.606 7.119 0.215 1.00 0.00 N ATOM 401 CA LEU A 27 3.633 7.907 1.435 1.00 0.00 C ATOM 402 C LEU A 27 5.038 8.426 1.675 1.00 0.00 C ATOM 403 O LEU A 27 6.016 7.688 1.535 1.00 0.00 O ATOM 404 CB LEU A 27 3.168 7.083 2.638 1.00 0.00 C ATOM 405 CG LEU A 27 1.724 6.588 2.573 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.418 5.693 3.765 1.00 0.00 C ATOM 407 CD2 LEU A 27 0.755 7.760 2.527 1.00 0.00 C ATOM 0 H LEU A 27 3.535 6.112 0.360 1.00 0.00 H new ATOM 0 HA LEU A 27 2.947 8.746 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.826 6.220 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.288 7.686 3.538 1.00 0.00 H new ATOM 0 HG LEU A 27 1.601 6.007 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.386 5.348 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.089 4.834 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.560 6.255 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.267 7.385 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.878 8.369 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.959 8.366 1.645 1.00 0.00 H new ATOM 419 N SER A 28 5.137 9.693 2.010 1.00 0.00 N ATOM 420 CA SER A 28 6.425 10.304 2.261 1.00 0.00 C ATOM 421 C SER A 28 6.617 10.530 3.753 1.00 0.00 C ATOM 422 O SER A 28 5.794 11.169 4.408 1.00 0.00 O ATOM 423 CB SER A 28 6.540 11.621 1.496 1.00 0.00 C ATOM 424 OG SER A 28 6.304 11.418 0.110 1.00 0.00 O ATOM 0 H SER A 28 4.341 10.322 2.115 1.00 0.00 H new ATOM 0 HA SER A 28 7.210 9.633 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.823 12.341 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.532 12.047 1.643 1.00 0.00 H new ATOM 0 HG SER A 28 6.380 12.273 -0.363 1.00 0.00 H new ATOM 430 N GLY A 29 7.695 9.985 4.285 1.00 0.00 N ATOM 431 CA GLY A 29 7.975 10.120 5.694 1.00 0.00 C ATOM 432 C GLY A 29 9.452 10.239 5.949 1.00 0.00 C ATOM 433 O GLY A 29 10.262 9.962 5.065 1.00 0.00 O ATOM 0 H GLY A 29 8.386 9.448 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.464 11.000 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.580 9.257 6.230 1.00 0.00 H new ATOM 437 N LEU A 30 9.812 10.651 7.146 1.00 0.00 N ATOM 438 CA LEU A 30 11.208 10.829 7.487 1.00 0.00 C ATOM 439 C LEU A 30 11.834 9.490 7.849 1.00 0.00 C ATOM 440 O LEU A 30 11.133 8.545 8.208 1.00 0.00 O ATOM 441 CB LEU A 30 11.342 11.826 8.639 1.00 0.00 C ATOM 442 CG LEU A 30 10.801 13.225 8.339 1.00 0.00 C ATOM 443 CD1 LEU A 30 10.909 14.116 9.564 1.00 0.00 C ATOM 444 CD2 LEU A 30 11.551 13.841 7.168 1.00 0.00 C ATOM 0 H LEU A 30 9.159 10.869 7.898 1.00 0.00 H new ATOM 0 HA LEU A 30 11.739 11.230 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.819 11.428 9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.395 11.909 8.910 1.00 0.00 H new ATOM 0 HG LEU A 30 9.748 13.136 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.519 15.106 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.332 13.683 10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.954 14.199 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.155 14.836 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.611 13.914 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.425 13.214 6.285 1.00 0.00 H new ATOM 456 N PHE A 31 13.150 9.404 7.728 1.00 0.00 N ATOM 457 CA PHE A 31 13.868 8.181 8.054 1.00 0.00 C ATOM 458 C PHE A 31 13.626 7.794 9.514 1.00 0.00 C ATOM 459 O PHE A 31 13.770 8.627 10.413 1.00 0.00 O ATOM 460 CB PHE A 31 15.368 8.366 7.790 1.00 0.00 C ATOM 461 CG PHE A 31 16.181 7.114 7.959 1.00 0.00 C ATOM 462 CD1 PHE A 31 16.150 6.118 6.994 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.983 6.933 9.076 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.901 4.967 7.141 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.735 5.785 9.227 1.00 0.00 C ATOM 466 CZ PHE A 31 17.694 4.800 8.258 1.00 0.00 C ATOM 0 H PHE A 31 13.744 10.168 7.406 1.00 0.00 H new ATOM 0 HA PHE A 31 13.497 7.376 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.504 8.740 6.775 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.753 9.130 8.465 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.532 6.243 6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 31 17.020 7.699 9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.867 4.199 6.382 1.00 0.00 H new ATOM 0 HE2 PHE A 31 18.355 5.657 10.102 1.00 0.00 H new ATOM 0 HZ PHE A 31 18.282 3.901 8.375 1.00 0.00 H new ATOM 476 N ASN A 32 13.225 6.537 9.731 1.00 0.00 N ATOM 477 CA ASN A 32 12.977 6.001 11.075 1.00 0.00 C ATOM 478 C ASN A 32 11.732 6.652 11.697 1.00 0.00 C ATOM 479 O ASN A 32 11.597 6.744 12.918 1.00 0.00 O ATOM 480 CB ASN A 32 14.207 6.212 11.974 1.00 0.00 C ATOM 481 CG ASN A 32 14.297 5.211 13.115 1.00 0.00 C ATOM 482 OD1 ASN A 32 13.293 4.678 13.585 1.00 0.00 O ATOM 483 ND2 ASN A 32 15.513 4.955 13.573 1.00 0.00 N ATOM 0 H ASN A 32 13.063 5.863 8.982 1.00 0.00 H new ATOM 0 HA ASN A 32 12.794 4.930 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.109 6.142 11.366 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.178 7.221 12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.640 4.296 14.341 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.322 5.417 13.158 1.00 0.00 H new ATOM 490 N GLU A 33 10.821 7.103 10.843 1.00 0.00 N ATOM 491 CA GLU A 33 9.557 7.679 11.292 1.00 0.00 C ATOM 492 C GLU A 33 8.413 6.703 11.028 1.00 0.00 C ATOM 493 O GLU A 33 8.388 6.046 9.990 1.00 0.00 O ATOM 494 CB GLU A 33 9.308 9.010 10.575 1.00 0.00 C ATOM 495 CG GLU A 33 7.923 9.595 10.792 1.00 0.00 C ATOM 496 CD GLU A 33 7.783 10.984 10.205 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.786 11.120 8.964 1.00 0.00 O ATOM 498 OE2 GLU A 33 7.690 11.951 10.990 1.00 0.00 O ATOM 0 H GLU A 33 10.934 7.081 9.830 1.00 0.00 H new ATOM 0 HA GLU A 33 9.609 7.866 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.051 9.734 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.464 8.867 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.179 8.937 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.711 9.632 11.861 1.00 0.00 H new ATOM 505 N ALA A 34 7.482 6.602 11.970 1.00 0.00 N ATOM 506 CA ALA A 34 6.347 5.693 11.832 1.00 0.00 C ATOM 507 C ALA A 34 5.326 6.263 10.856 1.00 0.00 C ATOM 508 O ALA A 34 5.227 7.481 10.693 1.00 0.00 O ATOM 509 CB ALA A 34 5.706 5.436 13.188 1.00 0.00 C ATOM 0 H ALA A 34 7.490 7.138 12.838 1.00 0.00 H new ATOM 0 HA ALA A 34 6.708 4.744 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.862 4.757 13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.440 4.988 13.858 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.357 6.378 13.610 1.00 0.00 H new ATOM 515 N TYR A 35 4.564 5.390 10.215 1.00 0.00 N ATOM 516 CA TYR A 35 3.612 5.816 9.199 1.00 0.00 C ATOM 517 C TYR A 35 2.240 5.198 9.431 1.00 0.00 C ATOM 518 O TYR A 35 2.115 4.157 10.075 1.00 0.00 O ATOM 519 CB TYR A 35 4.123 5.444 7.801 1.00 0.00 C ATOM 520 CG TYR A 35 4.269 3.954 7.565 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.408 3.273 7.975 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.268 3.231 6.928 1.00 0.00 C ATOM 523 CE1 TYR A 35 5.544 1.915 7.759 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.397 1.873 6.710 1.00 0.00 C ATOM 525 CZ TYR A 35 4.537 1.220 7.127 1.00 0.00 C ATOM 526 OH TYR A 35 4.669 -0.131 6.911 1.00 0.00 O ATOM 0 H TYR A 35 4.586 4.384 10.379 1.00 0.00 H new ATOM 0 HA TYR A 35 3.513 6.899 9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.439 5.852 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.090 5.921 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.200 3.814 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.374 3.739 6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.436 1.401 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.608 1.326 6.215 1.00 0.00 H new ATOM 0 HH TYR A 35 5.518 -0.308 6.455 1.00 0.00 H new ATOM 536 N ASN A 36 1.215 5.849 8.905 1.00 0.00 N ATOM 537 CA ASN A 36 -0.147 5.337 8.978 1.00 0.00 C ATOM 538 C ASN A 36 -0.721 5.236 7.570 1.00 0.00 C ATOM 539 O ASN A 36 -0.877 6.248 6.884 1.00 0.00 O ATOM 540 CB ASN A 36 -1.042 6.244 9.838 1.00 0.00 C ATOM 541 CG ASN A 36 -0.573 6.386 11.280 1.00 0.00 C ATOM 542 OD1 ASN A 36 0.107 5.375 11.805 1.00 0.00 O flip ATOM 543 ND2 ASN A 36 -0.822 7.407 11.919 1.00 0.00 N flip ATOM 0 H ASN A 36 1.301 6.741 8.418 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.120 4.352 9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.086 7.233 9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.057 5.846 9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.347 8.165 11.484 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.503 7.495 12.884 1.00 0.00 H new ATOM 550 N VAL A 37 -1.017 4.023 7.133 1.00 0.00 N ATOM 551 CA VAL A 37 -1.475 3.801 5.766 1.00 0.00 C ATOM 552 C VAL A 37 -2.979 4.075 5.626 1.00 0.00 C ATOM 553 O VAL A 37 -3.783 3.632 6.449 1.00 0.00 O ATOM 554 CB VAL A 37 -1.153 2.361 5.290 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.934 1.333 6.090 1.00 0.00 C ATOM 556 CG2 VAL A 37 -1.422 2.204 3.802 1.00 0.00 C ATOM 0 H VAL A 37 -0.950 3.178 7.700 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.936 4.505 5.132 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.091 2.185 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.688 0.332 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.673 1.418 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.002 1.510 5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.188 1.185 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.472 2.412 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.799 2.903 3.244 1.00 0.00 H new ATOM 566 N PRO A 38 -3.376 4.844 4.598 1.00 0.00 N ATOM 567 CA PRO A 38 -4.782 5.084 4.289 1.00 0.00 C ATOM 568 C PRO A 38 -5.410 3.897 3.561 1.00 0.00 C ATOM 569 O PRO A 38 -5.055 3.598 2.418 1.00 0.00 O ATOM 570 CB PRO A 38 -4.760 6.320 3.373 1.00 0.00 C ATOM 571 CG PRO A 38 -3.330 6.762 3.308 1.00 0.00 C ATOM 572 CD PRO A 38 -2.500 5.566 3.669 1.00 0.00 C ATOM 0 HA PRO A 38 -5.376 5.229 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.138 6.076 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.395 7.112 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.080 7.121 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.146 7.585 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.252 4.965 2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.558 5.851 4.137 1.00 0.00 H new ATOM 580 N MET A 39 -6.328 3.214 4.231 1.00 0.00 N ATOM 581 CA MET A 39 -7.000 2.060 3.646 1.00 0.00 C ATOM 582 C MET A 39 -8.487 2.329 3.455 1.00 0.00 C ATOM 583 O MET A 39 -9.246 2.421 4.424 1.00 0.00 O ATOM 584 CB MET A 39 -6.815 0.818 4.524 1.00 0.00 C ATOM 585 CG MET A 39 -7.597 -0.393 4.028 1.00 0.00 C ATOM 586 SD MET A 39 -7.458 -1.826 5.115 1.00 0.00 S ATOM 587 CE MET A 39 -8.074 -1.154 6.655 1.00 0.00 C ATOM 0 H MET A 39 -6.625 3.439 5.181 1.00 0.00 H new ATOM 0 HA MET A 39 -6.547 1.879 2.671 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.755 0.565 4.566 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.127 1.051 5.542 1.00 0.00 H new ATOM 0 HG2 MET A 39 -8.648 -0.122 3.928 1.00 0.00 H new ATOM 0 HG3 MET A 39 -7.242 -0.664 3.034 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.417 -1.967 7.295 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.277 -0.607 7.158 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.905 -0.478 6.451 1.00 0.00 H new ATOM 597 N LYS A 40 -8.894 2.469 2.206 1.00 0.00 N ATOM 598 CA LYS A 40 -10.302 2.564 1.864 1.00 0.00 C ATOM 599 C LYS A 40 -10.695 1.356 1.035 1.00 0.00 C ATOM 600 O LYS A 40 -9.980 0.991 0.101 1.00 0.00 O ATOM 601 CB LYS A 40 -10.599 3.839 1.071 1.00 0.00 C ATOM 602 CG LYS A 40 -10.324 5.125 1.829 1.00 0.00 C ATOM 603 CD LYS A 40 -10.773 6.334 1.028 1.00 0.00 C ATOM 604 CE LYS A 40 -10.547 7.633 1.786 1.00 0.00 C ATOM 605 NZ LYS A 40 -9.112 7.846 2.116 1.00 0.00 N ATOM 0 H LYS A 40 -8.264 2.520 1.406 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.878 2.596 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.001 3.833 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.645 3.828 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.844 5.105 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.259 5.203 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.230 6.366 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.831 6.235 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.909 8.469 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.132 7.622 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.976 8.817 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.821 7.172 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.534 7.698 1.264 1.00 0.00 H new ATOM 619 N LYS A 41 -11.812 0.728 1.369 1.00 0.00 N ATOM 620 CA LYS A 41 -12.266 -0.421 0.602 1.00 0.00 C ATOM 621 C LYS A 41 -12.901 0.062 -0.694 1.00 0.00 C ATOM 622 O LYS A 41 -13.791 0.914 -0.689 1.00 0.00 O ATOM 623 CB LYS A 41 -13.225 -1.306 1.408 1.00 0.00 C ATOM 624 CG LYS A 41 -14.481 -0.609 1.906 1.00 0.00 C ATOM 625 CD LYS A 41 -15.380 -1.586 2.646 1.00 0.00 C ATOM 626 CE LYS A 41 -16.667 -0.931 3.117 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.554 -1.897 3.819 1.00 0.00 N ATOM 0 H LYS A 41 -12.412 0.989 2.152 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.405 -1.046 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.520 -2.153 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.688 -1.710 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.209 0.214 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.021 -0.176 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.618 -2.425 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.845 -1.992 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.430 -0.103 3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.194 -0.509 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.422 -1.412 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.801 -2.674 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.060 -2.281 4.650 1.00 0.00 H new ATOM 641 N ILE A 42 -12.426 -0.471 -1.803 1.00 0.00 N ATOM 642 CA ILE A 42 -12.749 0.078 -3.108 1.00 0.00 C ATOM 643 C ILE A 42 -13.615 -0.867 -3.926 1.00 0.00 C ATOM 644 O ILE A 42 -13.321 -2.055 -4.022 1.00 0.00 O ATOM 645 CB ILE A 42 -11.454 0.378 -3.891 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.559 1.320 -3.080 1.00 0.00 C ATOM 647 CG2 ILE A 42 -11.771 0.978 -5.256 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.182 1.513 -3.670 1.00 0.00 C ATOM 0 H ILE A 42 -11.813 -1.286 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.311 0.997 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.921 -0.559 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.048 2.291 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.458 0.928 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.842 1.181 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.373 0.275 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.325 1.908 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.608 2.192 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.672 0.551 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.271 1.935 -4.671 1.00 0.00 H new ATOM 660 N LYS A 43 -14.693 -0.320 -4.485 1.00 0.00 N ATOM 661 CA LYS A 43 -15.518 -1.012 -5.474 1.00 0.00 C ATOM 662 C LYS A 43 -16.146 -2.286 -4.907 1.00 0.00 C ATOM 663 O LYS A 43 -16.410 -3.244 -5.635 1.00 0.00 O ATOM 664 CB LYS A 43 -14.677 -1.328 -6.716 1.00 0.00 C ATOM 665 CG LYS A 43 -15.498 -1.581 -7.968 1.00 0.00 C ATOM 666 CD LYS A 43 -14.612 -1.817 -9.177 1.00 0.00 C ATOM 667 CE LYS A 43 -15.422 -1.858 -10.461 1.00 0.00 C ATOM 668 NZ LYS A 43 -16.151 -0.585 -10.695 1.00 0.00 N ATOM 0 H LYS A 43 -15.020 0.620 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.339 -0.351 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.996 -0.498 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.063 -2.205 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.142 -2.447 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.150 -0.728 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.865 -1.026 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.072 -2.756 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.759 -2.057 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.135 -2.682 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.406 -0.511 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.015 -0.568 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.543 0.217 -10.432 1.00 0.00 H new ATOM 682 N GLY A 44 -16.412 -2.281 -3.613 1.00 0.00 N ATOM 683 CA GLY A 44 -17.053 -3.417 -2.992 1.00 0.00 C ATOM 684 C GLY A 44 -16.098 -4.567 -2.755 1.00 0.00 C ATOM 685 O GLY A 44 -16.423 -5.722 -3.027 1.00 0.00 O ATOM 0 H GLY A 44 -16.195 -1.510 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.488 -3.109 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.874 -3.756 -3.623 1.00 0.00 H new ATOM 689 N TYR A 45 -14.917 -4.251 -2.258 1.00 0.00 N ATOM 690 CA TYR A 45 -13.946 -5.270 -1.891 1.00 0.00 C ATOM 691 C TYR A 45 -13.878 -5.422 -0.376 1.00 0.00 C ATOM 692 O TYR A 45 -14.532 -4.683 0.363 1.00 0.00 O ATOM 693 CB TYR A 45 -12.563 -4.920 -2.442 1.00 0.00 C ATOM 694 CG TYR A 45 -12.332 -5.335 -3.879 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.166 -4.906 -4.904 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.258 -6.149 -4.208 1.00 0.00 C ATOM 697 CE1 TYR A 45 -12.934 -5.278 -6.216 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.020 -6.526 -5.512 1.00 0.00 C ATOM 699 CZ TYR A 45 -11.859 -6.091 -6.513 1.00 0.00 C ATOM 700 OH TYR A 45 -11.611 -6.461 -7.816 1.00 0.00 O ATOM 0 H TYR A 45 -14.604 -3.293 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.267 -6.216 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.416 -3.843 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.807 -5.393 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.009 -4.272 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.596 -6.494 -3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.590 -4.935 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.178 -7.160 -5.748 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.825 -7.046 -7.846 1.00 0.00 H new ATOM 710 N THR A 46 -13.103 -6.392 0.080 1.00 0.00 N ATOM 711 CA THR A 46 -12.887 -6.607 1.502 1.00 0.00 C ATOM 712 C THR A 46 -11.437 -7.019 1.743 1.00 0.00 C ATOM 713 O THR A 46 -10.921 -7.898 1.056 1.00 0.00 O ATOM 714 CB THR A 46 -13.849 -7.686 2.042 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.202 -7.307 1.753 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.686 -7.877 3.543 1.00 0.00 C ATOM 0 H THR A 46 -12.608 -7.050 -0.522 1.00 0.00 H new ATOM 0 HA THR A 46 -13.088 -5.677 2.034 1.00 0.00 H new ATOM 0 HB THR A 46 -13.609 -8.630 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.814 -7.992 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.379 -8.644 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.664 -8.186 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.899 -6.938 4.054 1.00 0.00 H new ATOM 724 N LEU A 47 -10.775 -6.373 2.700 1.00 0.00 N ATOM 725 CA LEU A 47 -9.354 -6.613 2.945 1.00 0.00 C ATOM 726 C LEU A 47 -9.096 -8.076 3.271 1.00 0.00 C ATOM 727 O LEU A 47 -9.743 -8.656 4.147 1.00 0.00 O ATOM 728 CB LEU A 47 -8.839 -5.742 4.095 1.00 0.00 C ATOM 729 CG LEU A 47 -7.321 -5.785 4.316 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.593 -5.105 3.170 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.955 -5.141 5.641 1.00 0.00 C ATOM 0 H LEU A 47 -11.198 -5.680 3.318 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.820 -6.351 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.134 -4.709 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.333 -6.053 5.015 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.009 -6.829 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.518 -5.146 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.828 -5.616 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.910 -4.064 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.875 -5.182 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.282 -4.101 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.445 -5.677 6.454 1.00 0.00 H new ATOM 743 N LEU A 48 -8.160 -8.671 2.555 1.00 0.00 N ATOM 744 CA LEU A 48 -7.746 -10.032 2.833 1.00 0.00 C ATOM 745 C LEU A 48 -6.792 -10.027 4.016 1.00 0.00 C ATOM 746 O LEU A 48 -7.022 -10.699 5.019 1.00 0.00 O ATOM 747 CB LEU A 48 -7.074 -10.646 1.601 1.00 0.00 C ATOM 748 CG LEU A 48 -6.618 -12.101 1.751 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.806 -13.018 2.009 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.859 -12.548 0.511 1.00 0.00 C ATOM 0 H LEU A 48 -7.672 -8.231 1.775 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.619 -10.637 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.769 -10.586 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.208 -10.038 1.341 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.950 -12.163 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.457 -14.045 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.309 -12.712 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.503 -12.954 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.541 -13.584 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.507 -12.467 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.983 -11.914 0.372 1.00 0.00 H new ATOM 762 N LYS A 49 -5.744 -9.219 3.898 1.00 0.00 N ATOM 763 CA LYS A 49 -4.731 -9.085 4.937 1.00 0.00 C ATOM 764 C LYS A 49 -3.693 -8.064 4.494 1.00 0.00 C ATOM 765 O LYS A 49 -3.569 -7.777 3.301 1.00 0.00 O ATOM 766 CB LYS A 49 -4.045 -10.432 5.210 1.00 0.00 C ATOM 767 CG LYS A 49 -3.086 -10.404 6.394 1.00 0.00 C ATOM 768 CD LYS A 49 -2.305 -11.699 6.522 1.00 0.00 C ATOM 769 CE LYS A 49 -1.372 -11.675 7.721 1.00 0.00 C ATOM 770 NZ LYS A 49 -0.356 -10.587 7.632 1.00 0.00 N ATOM 0 H LYS A 49 -5.573 -8.638 3.077 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.213 -8.753 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.809 -11.188 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.498 -10.738 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.392 -9.572 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.647 -10.227 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.998 -12.535 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.726 -11.867 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.958 -11.547 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.864 -12.636 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.595 -10.989 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.417 -10.130 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.536 -9.882 8.375 1.00 0.00 H new ATOM 784 N TYR A 50 -2.958 -7.514 5.446 1.00 0.00 N ATOM 785 CA TYR A 50 -1.834 -6.658 5.122 1.00 0.00 C ATOM 786 C TYR A 50 -0.608 -7.511 4.882 1.00 0.00 C ATOM 787 O TYR A 50 -0.388 -8.502 5.576 1.00 0.00 O ATOM 788 CB TYR A 50 -1.554 -5.664 6.250 1.00 0.00 C ATOM 789 CG TYR A 50 -2.382 -4.411 6.164 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.689 -3.855 4.934 1.00 0.00 C ATOM 791 CD2 TYR A 50 -2.828 -3.772 7.309 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.420 -2.685 4.846 1.00 0.00 C ATOM 793 CE2 TYR A 50 -3.565 -2.607 7.232 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.856 -2.066 5.998 1.00 0.00 C ATOM 795 OH TYR A 50 -4.575 -0.897 5.920 1.00 0.00 O ATOM 0 H TYR A 50 -3.120 -7.645 6.444 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.078 -6.093 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.743 -6.150 7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.498 -5.394 6.232 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.353 -4.342 4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.596 -4.191 8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.648 -2.258 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.911 -2.123 8.133 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.528 -1.105 5.827 1.00 0.00 H new ATOM 805 N ASP A 51 0.175 -7.149 3.882 1.00 0.00 N ATOM 806 CA ASP A 51 1.381 -7.900 3.588 1.00 0.00 C ATOM 807 C ASP A 51 2.522 -7.403 4.464 1.00 0.00 C ATOM 808 O ASP A 51 3.479 -8.124 4.736 1.00 0.00 O ATOM 809 CB ASP A 51 1.750 -7.794 2.102 1.00 0.00 C ATOM 810 CG ASP A 51 2.735 -6.677 1.808 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.403 -5.498 2.040 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.852 -6.976 1.340 1.00 0.00 O ATOM 0 H ASP A 51 0.002 -6.353 3.269 1.00 0.00 H new ATOM 0 HA ASP A 51 1.198 -8.952 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.176 -8.741 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.843 -7.632 1.520 1.00 0.00 H new ATOM 817 N SER A 52 2.395 -6.166 4.913 1.00 0.00 N ATOM 818 CA SER A 52 3.382 -5.553 5.778 1.00 0.00 C ATOM 819 C SER A 52 2.687 -4.896 6.964 1.00 0.00 C ATOM 820 O SER A 52 1.686 -4.198 6.790 1.00 0.00 O ATOM 821 CB SER A 52 4.184 -4.507 4.998 1.00 0.00 C ATOM 822 OG SER A 52 4.643 -5.036 3.763 1.00 0.00 O ATOM 0 H SER A 52 1.605 -5.561 4.687 1.00 0.00 H new ATOM 0 HA SER A 52 4.064 -6.321 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.563 -3.630 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.034 -4.176 5.595 1.00 0.00 H new ATOM 0 HG SER A 52 5.151 -4.350 3.282 1.00 0.00 H new ATOM 828 N GLU A 53 3.193 -5.146 8.164 1.00 0.00 N ATOM 829 CA GLU A 53 2.643 -4.519 9.355 1.00 0.00 C ATOM 830 C GLU A 53 2.919 -3.019 9.331 1.00 0.00 C ATOM 831 O GLU A 53 4.060 -2.582 9.170 1.00 0.00 O ATOM 832 CB GLU A 53 3.205 -5.172 10.619 1.00 0.00 C ATOM 833 CG GLU A 53 2.801 -6.633 10.756 1.00 0.00 C ATOM 834 CD GLU A 53 3.271 -7.262 12.051 1.00 0.00 C ATOM 835 OE1 GLU A 53 2.558 -7.148 13.068 1.00 0.00 O ATOM 836 OE2 GLU A 53 4.354 -7.885 12.057 1.00 0.00 O ATOM 0 H GLU A 53 3.978 -5.774 8.337 1.00 0.00 H new ATOM 0 HA GLU A 53 1.563 -4.665 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.293 -5.100 10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.858 -4.620 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.715 -6.711 10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.209 -7.196 9.917 1.00 0.00 H new ATOM 843 N ILE A 54 1.863 -2.238 9.496 1.00 0.00 N ATOM 844 CA ILE A 54 1.917 -0.800 9.258 1.00 0.00 C ATOM 845 C ILE A 54 2.365 -0.027 10.493 1.00 0.00 C ATOM 846 O ILE A 54 2.433 1.198 10.473 1.00 0.00 O ATOM 847 CB ILE A 54 0.545 -0.270 8.800 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.507 -0.489 9.895 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.133 -0.961 7.509 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.866 0.093 9.566 1.00 0.00 C ATOM 0 H ILE A 54 0.949 -2.578 9.796 1.00 0.00 H new ATOM 0 HA ILE A 54 2.655 -0.643 8.471 1.00 0.00 H new ATOM 0 HB ILE A 54 0.620 0.802 8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.614 -1.559 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.148 -0.046 10.824 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.838 -0.584 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.874 -0.759 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.067 -2.036 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.554 -0.103 10.388 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.775 1.169 9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.248 -0.368 8.655 1.00 0.00 H new ATOM 862 N LEU A 55 2.680 -0.742 11.560 1.00 0.00 N ATOM 863 CA LEU A 55 3.113 -0.106 12.797 1.00 0.00 C ATOM 864 C LEU A 55 4.637 0.036 12.817 1.00 0.00 C ATOM 865 O LEU A 55 5.242 0.308 13.854 1.00 0.00 O ATOM 866 CB LEU A 55 2.625 -0.919 14.002 1.00 0.00 C ATOM 867 CG LEU A 55 2.782 -0.243 15.366 1.00 0.00 C ATOM 868 CD1 LEU A 55 1.980 1.052 15.420 1.00 0.00 C ATOM 869 CD2 LEU A 55 2.352 -1.189 16.478 1.00 0.00 C ATOM 0 H LEU A 55 2.645 -1.761 11.597 1.00 0.00 H new ATOM 0 HA LEU A 55 2.679 0.892 12.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.572 -1.157 13.854 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.166 -1.865 14.022 1.00 0.00 H new ATOM 0 HG LEU A 55 3.834 0.004 15.511 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.105 1.517 16.398 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.336 1.733 14.646 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.925 0.834 15.254 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.469 -0.694 17.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.307 -1.466 16.337 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.971 -2.086 16.453 1.00 0.00 H new ATOM 881 N GLY A 56 5.250 -0.141 11.656 1.00 0.00 N ATOM 882 CA GLY A 56 6.690 -0.011 11.549 1.00 0.00 C ATOM 883 C GLY A 56 7.112 1.398 11.174 1.00 0.00 C ATOM 884 O GLY A 56 6.273 2.292 11.047 1.00 0.00 O ATOM 0 H GLY A 56 4.775 -0.373 10.784 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.149 -0.285 12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.062 -0.711 10.801 1.00 0.00 H new ATOM 888 N VAL A 57 8.408 1.595 10.989 1.00 0.00 N ATOM 889 CA VAL A 57 8.938 2.906 10.638 1.00 0.00 C ATOM 890 C VAL A 57 9.469 2.918 9.207 1.00 0.00 C ATOM 891 O VAL A 57 9.673 1.865 8.602 1.00 0.00 O ATOM 892 CB VAL A 57 10.058 3.350 11.603 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.517 3.517 13.015 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.217 2.363 11.581 1.00 0.00 C ATOM 0 H VAL A 57 9.114 0.864 11.076 1.00 0.00 H new ATOM 0 HA VAL A 57 8.111 3.611 10.721 1.00 0.00 H new ATOM 0 HB VAL A 57 10.432 4.316 11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.323 3.830 13.679 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.731 4.272 13.017 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.109 2.568 13.363 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.993 2.698 12.269 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.862 1.378 11.886 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.626 2.305 10.572 1.00 0.00 H new ATOM 904 N PHE A 58 9.676 4.117 8.675 1.00 0.00 N ATOM 905 CA PHE A 58 10.203 4.292 7.329 1.00 0.00 C ATOM 906 C PHE A 58 11.624 3.764 7.200 1.00 0.00 C ATOM 907 O PHE A 58 12.539 4.209 7.903 1.00 0.00 O ATOM 908 CB PHE A 58 10.162 5.765 6.925 1.00 0.00 C ATOM 909 CG PHE A 58 8.958 6.121 6.105 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.764 6.482 6.709 1.00 0.00 C ATOM 911 CD2 PHE A 58 9.022 6.083 4.724 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.657 6.795 5.946 1.00 0.00 C ATOM 913 CE2 PHE A 58 7.919 6.399 3.959 1.00 0.00 C ATOM 914 CZ PHE A 58 6.735 6.752 4.569 1.00 0.00 C ATOM 0 H PHE A 58 9.484 4.992 9.163 1.00 0.00 H new ATOM 0 HA PHE A 58 9.568 3.713 6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.176 6.382 7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.062 6.005 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.699 6.519 7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.946 5.803 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.731 7.073 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.983 6.370 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.869 6.995 3.970 1.00 0.00 H new ATOM 924 N THR A 59 11.788 2.819 6.291 1.00 0.00 N ATOM 925 CA THR A 59 13.080 2.244 5.981 1.00 0.00 C ATOM 926 C THR A 59 13.845 3.140 5.009 1.00 0.00 C ATOM 927 O THR A 59 13.336 4.182 4.584 1.00 0.00 O ATOM 928 CB THR A 59 12.890 0.849 5.358 1.00 0.00 C ATOM 929 OG1 THR A 59 11.856 0.907 4.360 1.00 0.00 O ATOM 930 CG2 THR A 59 12.511 -0.173 6.422 1.00 0.00 C ATOM 0 H THR A 59 11.021 2.428 5.744 1.00 0.00 H new ATOM 0 HA THR A 59 13.654 2.157 6.903 1.00 0.00 H new ATOM 0 HB THR A 59 13.831 0.542 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.256 1.091 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.382 -1.151 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.301 -0.228 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.578 0.128 6.899 1.00 0.00 H new ATOM 938 N GLU A 60 15.066 2.750 4.667 1.00 0.00 N ATOM 939 CA GLU A 60 15.847 3.484 3.680 1.00 0.00 C ATOM 940 C GLU A 60 15.390 3.114 2.275 1.00 0.00 C ATOM 941 O GLU A 60 15.233 3.976 1.407 1.00 0.00 O ATOM 942 CB GLU A 60 17.341 3.195 3.837 1.00 0.00 C ATOM 943 CG GLU A 60 18.202 3.922 2.819 1.00 0.00 C ATOM 944 CD GLU A 60 19.679 3.648 2.990 1.00 0.00 C ATOM 945 OE1 GLU A 60 20.338 4.379 3.761 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.192 2.708 2.348 1.00 0.00 O ATOM 0 H GLU A 60 15.536 1.933 5.057 1.00 0.00 H new ATOM 0 HA GLU A 60 15.687 4.550 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.656 3.481 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.508 2.122 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.897 3.625 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.025 4.994 2.902 1.00 0.00 H new ATOM 953 N SER A 61 15.178 1.828 2.065 1.00 0.00 N ATOM 954 CA SER A 61 14.697 1.331 0.790 1.00 0.00 C ATOM 955 C SER A 61 13.184 1.510 0.702 1.00 0.00 C ATOM 956 O SER A 61 12.489 1.400 1.714 1.00 0.00 O ATOM 957 CB SER A 61 15.067 -0.146 0.628 1.00 0.00 C ATOM 958 OG SER A 61 16.476 -0.329 0.665 1.00 0.00 O ATOM 0 H SER A 61 15.333 1.104 2.767 1.00 0.00 H new ATOM 0 HA SER A 61 15.167 1.898 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.601 -0.730 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.673 -0.521 -0.317 1.00 0.00 H new ATOM 0 HG SER A 61 16.685 -1.281 0.561 1.00 0.00 H new ATOM 964 N PRO A 62 12.659 1.811 -0.497 1.00 0.00 N ATOM 965 CA PRO A 62 11.217 1.977 -0.709 1.00 0.00 C ATOM 966 C PRO A 62 10.443 0.706 -0.365 1.00 0.00 C ATOM 967 O PRO A 62 10.499 -0.289 -1.095 1.00 0.00 O ATOM 968 CB PRO A 62 11.094 2.305 -2.202 1.00 0.00 C ATOM 969 CG PRO A 62 12.380 1.853 -2.808 1.00 0.00 C ATOM 970 CD PRO A 62 13.421 2.017 -1.737 1.00 0.00 C ATOM 0 HA PRO A 62 10.797 2.753 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.245 1.789 -2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.938 3.372 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.315 0.815 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.628 2.448 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.225 1.289 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.880 3.005 -1.769 1.00 0.00 H new ATOM 978 N GLN A 63 9.742 0.742 0.755 1.00 0.00 N ATOM 979 CA GLN A 63 8.975 -0.405 1.208 1.00 0.00 C ATOM 980 C GLN A 63 7.594 -0.395 0.568 1.00 0.00 C ATOM 981 O GLN A 63 6.925 0.635 0.522 1.00 0.00 O ATOM 982 CB GLN A 63 8.869 -0.402 2.737 1.00 0.00 C ATOM 983 CG GLN A 63 8.083 -1.575 3.300 1.00 0.00 C ATOM 984 CD GLN A 63 8.199 -1.679 4.805 1.00 0.00 C ATOM 985 OE1 GLN A 63 7.297 -1.025 5.521 1.00 0.00 O flip ATOM 986 NE2 GLN A 63 9.092 -2.351 5.319 1.00 0.00 N flip ATOM 0 H GLN A 63 9.688 1.555 1.368 1.00 0.00 H new ATOM 0 HA GLN A 63 9.488 -1.318 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.873 -0.412 3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.397 0.527 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.033 -1.470 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.440 -2.499 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.767 -2.839 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.158 -2.420 6.335 1.00 0.00 H new ATOM 995 N THR A 64 7.180 -1.540 0.064 1.00 0.00 N ATOM 996 CA THR A 64 5.914 -1.647 -0.629 1.00 0.00 C ATOM 997 C THR A 64 4.819 -2.145 0.308 1.00 0.00 C ATOM 998 O THR A 64 4.953 -3.199 0.935 1.00 0.00 O ATOM 999 CB THR A 64 6.035 -2.594 -1.834 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.095 -2.143 -2.691 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.735 -2.651 -2.620 1.00 0.00 C ATOM 0 H THR A 64 7.705 -2.413 0.122 1.00 0.00 H new ATOM 0 HA THR A 64 5.644 -0.652 -0.984 1.00 0.00 H new ATOM 0 HB THR A 64 6.254 -3.595 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.174 -2.747 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.851 -3.328 -3.466 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.935 -3.011 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.486 -1.654 -2.985 1.00 0.00 H new ATOM 1009 N ILE A 65 3.747 -1.372 0.407 1.00 0.00 N ATOM 1010 CA ILE A 65 2.606 -1.741 1.226 1.00 0.00 C ATOM 1011 C ILE A 65 1.521 -2.327 0.343 1.00 0.00 C ATOM 1012 O ILE A 65 0.843 -1.603 -0.383 1.00 0.00 O ATOM 1013 CB ILE A 65 2.028 -0.527 1.991 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.134 0.189 2.772 1.00 0.00 C ATOM 1015 CG2 ILE A 65 0.908 -0.969 2.928 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.892 -0.718 3.714 1.00 0.00 C ATOM 0 H ILE A 65 3.646 -0.479 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 65 2.947 -2.474 1.958 1.00 0.00 H new ATOM 0 HB ILE A 65 1.611 0.172 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.835 0.635 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.694 1.006 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.513 -0.102 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.111 -1.434 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.299 -1.688 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.659 -0.144 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.202 -1.144 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.362 -1.521 3.146 1.00 0.00 H new ATOM 1028 N ASN A 66 1.370 -3.635 0.383 1.00 0.00 N ATOM 1029 CA ASN A 66 0.397 -4.297 -0.463 1.00 0.00 C ATOM 1030 C ASN A 66 -0.916 -4.473 0.277 1.00 0.00 C ATOM 1031 O ASN A 66 -1.085 -5.410 1.060 1.00 0.00 O ATOM 1032 CB ASN A 66 0.915 -5.654 -0.948 1.00 0.00 C ATOM 1033 CG ASN A 66 2.156 -5.535 -1.811 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.071 -5.372 -3.028 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.321 -5.630 -1.193 1.00 0.00 N ATOM 0 H ASN A 66 1.905 -4.258 0.988 1.00 0.00 H new ATOM 0 HA ASN A 66 0.230 -3.666 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.137 -6.282 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.131 -6.156 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.188 -5.568 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.353 -5.765 -0.182 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.832 -3.545 0.051 1.00 0.00 N ATOM 1043 CA ILE A 67 -3.166 -3.648 0.607 1.00 0.00 C ATOM 1044 C ILE A 67 -4.005 -4.530 -0.301 1.00 0.00 C ATOM 1045 O ILE A 67 -4.559 -4.070 -1.301 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.839 -2.268 0.764 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.945 -1.322 1.570 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -5.196 -2.413 1.436 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -3.565 0.038 1.812 1.00 0.00 C ATOM 0 H ILE A 67 -1.673 -2.712 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.089 -4.083 1.603 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.986 -1.842 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.715 -1.783 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.999 -1.193 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.658 -1.431 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.836 -3.053 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.068 -2.859 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.876 0.655 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.770 0.520 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.496 -0.080 2.366 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.050 -5.808 0.027 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.694 -6.790 -0.824 1.00 0.00 C ATOM 1063 C ILE A 68 -6.146 -6.990 -0.427 1.00 0.00 C ATOM 1064 O ILE A 68 -6.449 -7.440 0.682 1.00 0.00 O ATOM 1065 CB ILE A 68 -3.947 -8.137 -0.766 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.486 -7.927 -1.175 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -4.620 -9.168 -1.667 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -1.626 -9.158 -1.022 1.00 0.00 C ATOM 0 H ILE A 68 -3.646 -6.191 0.881 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.662 -6.411 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.979 -8.519 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.453 -7.599 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.062 -7.123 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.076 -10.111 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.648 -9.322 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.617 -8.809 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.606 -8.930 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.627 -9.475 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.023 -9.959 -1.645 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.040 -6.637 -1.333 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.459 -6.816 -1.114 1.00 0.00 C ATOM 1082 C TYR A 69 -8.950 -8.064 -1.827 1.00 0.00 C ATOM 1083 O TYR A 69 -8.599 -8.315 -2.978 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.251 -5.611 -1.622 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.941 -4.308 -0.928 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.292 -4.104 0.401 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.309 -3.276 -1.606 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.020 -2.907 1.032 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.037 -2.077 -0.982 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.393 -1.897 0.336 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.125 -0.704 0.960 1.00 0.00 O ATOM 0 H TYR A 69 -6.803 -6.221 -2.234 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.616 -6.918 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.059 -5.492 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.315 -5.821 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.785 -4.894 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.026 -3.414 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.297 -2.763 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.547 -1.282 -1.525 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.628 0.014 0.522 1.00 0.00 H new ATOM 1101 N GLN A 70 -9.758 -8.842 -1.139 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.417 -9.979 -1.742 1.00 0.00 C ATOM 1103 C GLN A 70 -11.781 -9.535 -2.244 1.00 0.00 C ATOM 1104 O GLN A 70 -12.497 -8.813 -1.543 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.563 -11.113 -0.721 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.362 -12.305 -1.228 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.459 -13.422 -0.206 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -12.369 -13.446 0.625 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -10.530 -14.362 -0.269 1.00 0.00 N ATOM 0 H GLN A 70 -9.975 -8.705 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.823 -10.354 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.570 -11.453 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.044 -10.721 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.366 -11.976 -1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.898 -12.689 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.793 -14.305 -0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.550 -15.144 0.386 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.127 -9.920 -3.463 1.00 0.00 N ATOM 1119 CA LYS A 71 -13.432 -9.586 -4.000 1.00 0.00 C ATOM 1120 C LYS A 71 -14.501 -10.365 -3.254 1.00 0.00 C ATOM 1121 O LYS A 71 -14.554 -11.594 -3.334 1.00 0.00 O ATOM 1122 CB LYS A 71 -13.514 -9.879 -5.499 1.00 0.00 C ATOM 1123 CG LYS A 71 -14.868 -9.533 -6.100 1.00 0.00 C ATOM 1124 CD LYS A 71 -14.945 -9.880 -7.574 1.00 0.00 C ATOM 1125 CE LYS A 71 -16.311 -9.539 -8.140 1.00 0.00 C ATOM 1126 NZ LYS A 71 -16.445 -9.934 -9.564 1.00 0.00 N ATOM 0 H LYS A 71 -11.529 -10.457 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.595 -8.517 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.738 -9.315 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.307 -10.936 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.650 -10.068 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.061 -8.468 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.174 -9.336 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.744 -10.942 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.081 -10.040 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.484 -8.467 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.394 -9.681 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.729 -9.437 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.307 -10.961 -9.654 1.00 0.00 H new ATOM 1140 N LYS A 72 -15.330 -9.649 -2.512 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.371 -10.278 -1.724 1.00 0.00 C ATOM 1142 C LYS A 72 -17.433 -10.889 -2.627 1.00 0.00 C ATOM 1143 O LYS A 72 -17.769 -10.341 -3.683 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.015 -9.274 -0.762 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.639 -8.077 -1.460 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.376 -7.174 -0.488 1.00 0.00 C ATOM 1147 CE LYS A 72 -18.991 -5.979 -1.198 1.00 0.00 C ATOM 1148 NZ LYS A 72 -19.926 -6.384 -2.282 1.00 0.00 N ATOM 0 H LYS A 72 -15.300 -8.632 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.910 -11.072 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.781 -9.783 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.260 -8.921 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.861 -7.506 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -18.330 -8.425 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.158 -7.741 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.687 -6.827 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.524 -5.364 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.197 -5.361 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.494 -5.564 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.382 -6.737 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.556 -7.135 -1.934 1.00 0.00 H new