USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 754 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 31 TYR OH : rot 146:sc= -0.615 USER MOD Set 1.2: A 92 THR OG1 : rot 100:sc= -1.35! USER MOD Set 2.1: A 25 THR OG1 : rot -62:sc= -0.0992 USER MOD Set 2.2: A 37 THR OG1 : rot 25:sc= -0.0398 USER MOD Set 3.1: A 19 HIS : no HD1:sc= -21! C(o=-22!,f=-29!) USER MOD Set 3.2: A 24 SER OG : rot -76:sc= -0.994! USER MOD Set 4.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 10 TYR OH : rot -174:sc= -0.833 USER MOD Single : A 11 TYR OH : rot 173:sc=0.000215 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 17 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.49! C(o=-3.5!,f=-3!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -48:sc= 0.77 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.129 (180deg=-0.797) USER MOD Single : A 34 TYR OH : rot 15:sc= 0.244 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -10.2! C(o=-10!,f=-9.8!) USER MOD Single : A 53 GLN : amide:sc= -9.91! C(o=-9.9!,f=-18!) USER MOD Single : A 59 THR OG1 : rot -5:sc= -1.25! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 67 HIS : no HE2:sc= -0.896 K(o=-0.9,f=-8!) USER MOD Single : A 68 SER OG : rot 179:sc= -0.161 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -40:sc= -1.04 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-7.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.34 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.283 -2.319 -23.298 1.00 0.00 N ATOM 96 CA VAL A 8 12.228 -3.031 -22.034 1.00 0.00 C ATOM 97 C VAL A 8 11.861 -4.494 -22.293 1.00 0.00 C ATOM 98 O VAL A 8 12.628 -5.397 -21.966 1.00 0.00 O ATOM 99 CB VAL A 8 11.257 -2.332 -21.080 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.260 -1.465 -21.852 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.530 -3.347 -20.196 1.00 0.00 C ATOM 0 HA VAL A 8 13.204 -3.021 -21.548 1.00 0.00 H new ATOM 0 HB VAL A 8 11.838 -1.678 -20.430 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.581 -0.979 -21.151 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.800 -0.707 -22.419 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.688 -2.091 -22.537 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.846 -2.824 -19.528 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.967 -4.038 -20.823 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.258 -3.904 -19.606 1.00 0.00 H new ATOM 111 N LYS A 9 10.689 -4.681 -22.881 1.00 0.00 N ATOM 112 CA LYS A 9 10.212 -6.019 -23.189 1.00 0.00 C ATOM 113 C LYS A 9 9.723 -6.689 -21.903 1.00 0.00 C ATOM 114 O LYS A 9 8.553 -7.053 -21.794 1.00 0.00 O ATOM 115 CB LYS A 9 11.289 -6.815 -23.927 1.00 0.00 C ATOM 116 CG LYS A 9 10.816 -7.210 -25.328 1.00 0.00 C ATOM 117 CD LYS A 9 11.860 -8.074 -26.036 1.00 0.00 C ATOM 118 CE LYS A 9 12.519 -7.306 -27.184 1.00 0.00 C ATOM 119 NZ LYS A 9 13.987 -7.490 -27.155 1.00 0.00 N ATOM 0 H LYS A 9 10.056 -3.929 -23.152 1.00 0.00 H new ATOM 0 HA LYS A 9 9.361 -5.974 -23.869 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.199 -6.220 -24.001 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.539 -7.710 -23.358 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.875 -7.755 -25.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.622 -6.313 -25.916 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.620 -8.391 -25.322 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.388 -8.978 -26.422 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.122 -7.654 -28.138 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.278 -6.246 -27.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.419 -6.962 -27.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.363 -7.136 -26.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.212 -8.501 -27.252 1.00 0.00 H new ATOM 133 N TYR A 10 10.644 -6.833 -20.961 1.00 0.00 N ATOM 134 CA TYR A 10 10.323 -7.454 -19.687 1.00 0.00 C ATOM 135 C TYR A 10 10.962 -6.687 -18.527 1.00 0.00 C ATOM 136 O TYR A 10 12.175 -6.482 -18.506 1.00 0.00 O ATOM 137 CB TYR A 10 10.919 -8.862 -19.742 1.00 0.00 C ATOM 138 CG TYR A 10 11.727 -9.147 -21.010 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.020 -8.677 -21.123 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.163 -9.872 -22.039 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.780 -8.946 -22.317 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.923 -10.141 -23.233 1.00 0.00 C ATOM 143 CZ TYR A 10 13.195 -9.664 -23.313 1.00 0.00 C ATOM 144 OH TYR A 10 13.913 -9.917 -24.438 1.00 0.00 O ATOM 0 H TYR A 10 11.613 -6.530 -21.055 1.00 0.00 H new ATOM 0 HA TYR A 10 9.245 -7.463 -19.525 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.562 -9.008 -18.874 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.112 -9.590 -19.667 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.461 -8.109 -20.318 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.151 -10.238 -21.950 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.793 -8.585 -22.419 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.493 -10.708 -24.046 1.00 0.00 H new ATOM 0 HH TYR A 10 13.339 -10.356 -25.100 1.00 0.00 H new ATOM 154 N TYR A 11 10.117 -6.284 -17.589 1.00 0.00 N ATOM 155 CA TYR A 11 10.583 -5.546 -16.428 1.00 0.00 C ATOM 156 C TYR A 11 10.005 -6.131 -15.138 1.00 0.00 C ATOM 157 O TYR A 11 9.128 -6.990 -15.180 1.00 0.00 O ATOM 158 CB TYR A 11 10.066 -4.116 -16.603 1.00 0.00 C ATOM 159 CG TYR A 11 11.130 -3.122 -17.072 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.463 -3.361 -16.802 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.757 -1.989 -17.765 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.465 -2.425 -17.244 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.760 -1.053 -18.206 1.00 0.00 C ATOM 164 CZ TYR A 11 13.064 -1.317 -17.924 1.00 0.00 C ATOM 165 OH TYR A 11 14.009 -0.434 -18.341 1.00 0.00 O ATOM 0 H TYR A 11 9.112 -6.455 -17.610 1.00 0.00 H new ATOM 0 HA TYR A 11 11.670 -5.592 -16.354 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.247 -4.122 -17.323 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.654 -3.771 -15.655 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.754 -4.249 -16.260 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.714 -1.804 -17.977 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.511 -2.599 -17.040 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.482 -0.161 -18.749 1.00 0.00 H new ATOM 0 HH TYR A 11 13.592 0.248 -18.908 1.00 0.00 H new ATOM 175 N THR A 12 10.524 -5.642 -14.021 1.00 0.00 N ATOM 176 CA THR A 12 10.071 -6.105 -12.720 1.00 0.00 C ATOM 177 C THR A 12 9.204 -5.039 -12.047 1.00 0.00 C ATOM 178 O THR A 12 9.393 -3.845 -12.276 1.00 0.00 O ATOM 179 CB THR A 12 11.304 -6.493 -11.901 1.00 0.00 C ATOM 180 OG1 THR A 12 11.929 -5.248 -11.604 1.00 0.00 O ATOM 181 CG2 THR A 12 12.345 -7.244 -12.732 1.00 0.00 C ATOM 0 H THR A 12 11.254 -4.930 -13.990 1.00 0.00 H new ATOM 0 HA THR A 12 9.435 -6.985 -12.812 1.00 0.00 H new ATOM 0 HB THR A 12 10.999 -7.111 -11.056 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.737 -5.406 -11.073 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.199 -7.496 -12.104 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.904 -8.159 -13.128 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.675 -6.614 -13.558 1.00 0.00 H new ATOM 189 N LEU A 13 8.274 -5.509 -11.229 1.00 0.00 N ATOM 190 CA LEU A 13 7.377 -4.610 -10.521 1.00 0.00 C ATOM 191 C LEU A 13 8.187 -3.459 -9.919 1.00 0.00 C ATOM 192 O LEU A 13 7.726 -2.321 -9.890 1.00 0.00 O ATOM 193 CB LEU A 13 6.548 -5.382 -9.493 1.00 0.00 C ATOM 194 CG LEU A 13 5.123 -5.746 -9.917 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.284 -6.172 -8.710 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.471 -4.597 -10.690 1.00 0.00 C ATOM 0 H LEU A 13 8.122 -6.500 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 13 6.657 -4.168 -11.210 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.078 -6.302 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.494 -4.789 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 13 5.175 -6.601 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.276 -6.425 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.741 -7.042 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.237 -5.353 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.459 -4.881 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.432 -3.710 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.057 -4.381 -11.583 1.00 0.00 H new ATOM 208 N GLU A 14 9.380 -3.798 -9.453 1.00 0.00 N ATOM 209 CA GLU A 14 10.258 -2.807 -8.854 1.00 0.00 C ATOM 210 C GLU A 14 10.645 -1.746 -9.886 1.00 0.00 C ATOM 211 O GLU A 14 10.484 -0.552 -9.644 1.00 0.00 O ATOM 212 CB GLU A 14 11.501 -3.468 -8.254 1.00 0.00 C ATOM 213 CG GLU A 14 11.563 -3.247 -6.740 1.00 0.00 C ATOM 214 CD GLU A 14 13.009 -3.079 -6.270 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.652 -4.124 -6.030 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.437 -1.911 -6.160 1.00 0.00 O ATOM 0 H GLU A 14 9.759 -4.745 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 14 9.720 -2.316 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.489 -4.537 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.397 -3.059 -8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.985 -2.362 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.106 -4.093 -6.226 1.00 0.00 H new ATOM 223 N GLU A 15 11.147 -2.221 -11.017 1.00 0.00 N ATOM 224 CA GLU A 15 11.557 -1.330 -12.087 1.00 0.00 C ATOM 225 C GLU A 15 10.418 -0.376 -12.449 1.00 0.00 C ATOM 226 O GLU A 15 10.650 0.803 -12.717 1.00 0.00 O ATOM 227 CB GLU A 15 12.022 -2.121 -13.312 1.00 0.00 C ATOM 228 CG GLU A 15 12.692 -1.201 -14.336 1.00 0.00 C ATOM 229 CD GLU A 15 14.206 -1.153 -14.122 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.618 -0.525 -13.123 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.917 -1.746 -14.962 1.00 0.00 O ATOM 0 H GLU A 15 11.279 -3.213 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 15 12.402 -0.738 -11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.721 -2.898 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.170 -2.622 -13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.475 -1.554 -15.344 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.277 -0.196 -14.254 1.00 0.00 H new ATOM 238 N ILE A 16 9.209 -0.921 -12.448 1.00 0.00 N ATOM 239 CA ILE A 16 8.033 -0.133 -12.773 1.00 0.00 C ATOM 240 C ILE A 16 7.696 0.785 -11.596 1.00 0.00 C ATOM 241 O ILE A 16 7.241 1.910 -11.792 1.00 0.00 O ATOM 242 CB ILE A 16 6.877 -1.044 -13.193 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.366 -2.158 -14.122 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.741 -0.235 -13.818 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.776 -3.508 -13.716 1.00 0.00 C ATOM 0 H ILE A 16 9.020 -1.899 -12.227 1.00 0.00 H new ATOM 0 HA ILE A 16 8.231 0.509 -13.631 1.00 0.00 H new ATOM 0 HB ILE A 16 6.477 -1.523 -12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.085 -1.929 -15.150 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.454 -2.209 -14.093 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.933 -0.906 -14.107 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.369 0.490 -13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.110 0.290 -14.699 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.139 -4.282 -14.392 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.079 -3.746 -12.696 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.688 -3.461 -13.770 1.00 0.00 H new ATOM 257 N GLN A 17 7.935 0.269 -10.400 1.00 0.00 N ATOM 258 CA GLN A 17 7.662 1.028 -9.190 1.00 0.00 C ATOM 259 C GLN A 17 8.546 2.276 -9.137 1.00 0.00 C ATOM 260 O GLN A 17 8.106 3.333 -8.689 1.00 0.00 O ATOM 261 CB GLN A 17 7.859 0.162 -7.944 1.00 0.00 C ATOM 262 CG GLN A 17 6.795 0.471 -6.889 1.00 0.00 C ATOM 263 CD GLN A 17 7.437 0.963 -5.591 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.634 0.852 -5.378 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.578 1.513 -4.737 1.00 0.00 N ATOM 0 H GLN A 17 8.314 -0.665 -10.242 1.00 0.00 H new ATOM 0 HA GLN A 17 6.619 1.346 -9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.810 -0.892 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.851 0.337 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.109 1.228 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.204 -0.423 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.589 1.575 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.909 1.873 -3.842 1.00 0.00 H new ATOM 274 N LYS A 18 9.776 2.110 -9.599 1.00 0.00 N ATOM 275 CA LYS A 18 10.725 3.210 -9.609 1.00 0.00 C ATOM 276 C LYS A 18 10.280 4.254 -10.635 1.00 0.00 C ATOM 277 O LYS A 18 10.506 5.449 -10.449 1.00 0.00 O ATOM 278 CB LYS A 18 12.147 2.690 -9.840 1.00 0.00 C ATOM 279 CG LYS A 18 12.508 1.611 -8.817 1.00 0.00 C ATOM 280 CD LYS A 18 12.884 2.234 -7.472 1.00 0.00 C ATOM 281 CE LYS A 18 14.227 2.961 -7.560 1.00 0.00 C ATOM 282 NZ LYS A 18 14.668 3.403 -6.219 1.00 0.00 N ATOM 0 H LYS A 18 10.137 1.231 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 18 10.744 3.704 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.230 2.283 -10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.856 3.515 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.664 0.934 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.340 1.015 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.108 2.933 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.936 1.457 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.976 2.300 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.138 3.822 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.581 3.894 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.960 4.050 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.773 2.576 -5.598 1.00 0.00 H new ATOM 296 N HIS A 19 9.655 3.765 -11.696 1.00 0.00 N ATOM 297 CA HIS A 19 9.175 4.640 -12.751 1.00 0.00 C ATOM 298 C HIS A 19 7.773 5.144 -12.401 1.00 0.00 C ATOM 299 O HIS A 19 6.778 4.620 -12.901 1.00 0.00 O ATOM 300 CB HIS A 19 9.230 3.937 -14.108 1.00 0.00 C ATOM 301 CG HIS A 19 10.609 3.899 -14.725 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.870 4.351 -16.006 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.798 3.460 -14.220 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.161 4.185 -16.253 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.735 3.633 -15.145 1.00 0.00 N ATOM 0 H HIS A 19 9.470 2.773 -11.847 1.00 0.00 H new ATOM 0 HA HIS A 19 9.827 5.510 -12.831 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.867 2.916 -13.992 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.550 4.441 -14.795 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.951 3.043 -13.236 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.670 4.442 -17.170 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.721 3.393 -15.044 1.00 0.00 H new ATOM 314 N ASN A 20 7.738 6.155 -11.547 1.00 0.00 N ATOM 315 CA ASN A 20 6.475 6.737 -11.125 1.00 0.00 C ATOM 316 C ASN A 20 6.506 8.247 -11.366 1.00 0.00 C ATOM 317 O ASN A 20 5.749 8.994 -10.747 1.00 0.00 O ATOM 318 CB ASN A 20 6.231 6.501 -9.633 1.00 0.00 C ATOM 319 CG ASN A 20 5.084 7.373 -9.120 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.220 8.129 -8.173 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.948 7.227 -9.797 1.00 0.00 N ATOM 0 H ASN A 20 8.565 6.587 -11.135 1.00 0.00 H new ATOM 0 HA ASN A 20 5.679 6.265 -11.700 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.999 5.450 -9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.139 6.723 -9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.124 7.766 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.902 6.576 -10.581 1.00 0.00 H new ATOM 328 N ASN A 21 7.392 8.652 -12.264 1.00 0.00 N ATOM 329 CA ASN A 21 7.533 10.060 -12.593 1.00 0.00 C ATOM 330 C ASN A 21 6.890 10.328 -13.956 1.00 0.00 C ATOM 331 O ASN A 21 6.727 9.412 -14.760 1.00 0.00 O ATOM 332 CB ASN A 21 9.007 10.460 -12.680 1.00 0.00 C ATOM 333 CG ASN A 21 9.708 10.266 -11.336 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.568 9.415 -11.171 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.296 11.099 -10.385 1.00 0.00 N ATOM 0 H ASN A 21 8.019 8.030 -12.774 1.00 0.00 H new ATOM 0 HA ASN A 21 7.047 10.640 -11.808 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.505 9.862 -13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.087 11.502 -12.989 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.704 11.049 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.572 11.788 -10.589 1.00 0.00 H new ATOM 342 N SER A 22 6.540 11.588 -14.173 1.00 0.00 N ATOM 343 CA SER A 22 5.919 11.987 -15.423 1.00 0.00 C ATOM 344 C SER A 22 6.969 12.046 -16.534 1.00 0.00 C ATOM 345 O SER A 22 6.719 12.609 -17.600 1.00 0.00 O ATOM 346 CB SER A 22 5.218 13.340 -15.282 1.00 0.00 C ATOM 347 OG SER A 22 4.736 13.824 -16.533 1.00 0.00 O ATOM 0 H SER A 22 6.675 12.345 -13.503 1.00 0.00 H new ATOM 0 HA SER A 22 5.166 11.243 -15.684 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.386 13.246 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.911 14.065 -14.855 1.00 0.00 H new ATOM 0 HG SER A 22 5.445 13.755 -17.206 1.00 0.00 H new ATOM 353 N LYS A 23 8.122 11.459 -16.248 1.00 0.00 N ATOM 354 CA LYS A 23 9.210 11.438 -17.209 1.00 0.00 C ATOM 355 C LYS A 23 9.462 9.997 -17.657 1.00 0.00 C ATOM 356 O LYS A 23 10.117 9.763 -18.672 1.00 0.00 O ATOM 357 CB LYS A 23 10.447 12.129 -16.634 1.00 0.00 C ATOM 358 CG LYS A 23 11.116 11.256 -15.569 1.00 0.00 C ATOM 359 CD LYS A 23 12.300 11.983 -14.929 1.00 0.00 C ATOM 360 CE LYS A 23 13.544 11.092 -14.907 1.00 0.00 C ATOM 361 NZ LYS A 23 14.105 11.020 -13.540 1.00 0.00 N ATOM 0 H LYS A 23 8.326 10.994 -15.363 1.00 0.00 H new ATOM 0 HA LYS A 23 8.942 12.006 -18.100 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.156 12.340 -17.435 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.164 13.087 -16.199 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.389 10.991 -14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.457 10.324 -16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.513 12.897 -15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.043 12.280 -13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.288 10.091 -15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.293 11.486 -15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.948 10.412 -13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.368 11.975 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.394 10.623 -12.893 1.00 0.00 H new ATOM 375 N SER A 24 8.929 9.067 -16.878 1.00 0.00 N ATOM 376 CA SER A 24 9.088 7.654 -17.180 1.00 0.00 C ATOM 377 C SER A 24 7.894 6.866 -16.638 1.00 0.00 C ATOM 378 O SER A 24 7.975 5.650 -16.470 1.00 0.00 O ATOM 379 CB SER A 24 10.393 7.110 -16.598 1.00 0.00 C ATOM 380 OG SER A 24 11.106 6.311 -17.538 1.00 0.00 O ATOM 0 H SER A 24 8.386 9.264 -16.037 1.00 0.00 H new ATOM 0 HA SER A 24 9.130 7.538 -18.263 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.022 7.941 -16.279 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.174 6.517 -15.710 1.00 0.00 H new ATOM 0 HG SER A 24 10.674 5.435 -17.617 1.00 0.00 H new ATOM 386 N THR A 25 6.816 7.590 -16.380 1.00 0.00 N ATOM 387 CA THR A 25 5.607 6.972 -15.860 1.00 0.00 C ATOM 388 C THR A 25 5.405 5.589 -16.481 1.00 0.00 C ATOM 389 O THR A 25 5.071 5.476 -17.660 1.00 0.00 O ATOM 390 CB THR A 25 4.441 7.929 -16.114 1.00 0.00 C ATOM 391 OG1 THR A 25 5.070 9.159 -16.461 1.00 0.00 O ATOM 392 CG2 THR A 25 3.662 8.256 -14.838 1.00 0.00 C ATOM 0 H THR A 25 6.753 8.598 -16.521 1.00 0.00 H new ATOM 0 HA THR A 25 5.680 6.803 -14.786 1.00 0.00 H new ATOM 0 HB THR A 25 3.766 7.490 -16.849 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.614 9.472 -15.708 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.846 8.939 -15.075 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.256 7.338 -14.414 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.329 8.725 -14.115 1.00 0.00 H new ATOM 400 N TRP A 26 5.617 4.570 -15.661 1.00 0.00 N ATOM 401 CA TRP A 26 5.463 3.199 -16.115 1.00 0.00 C ATOM 402 C TRP A 26 4.394 2.532 -15.247 1.00 0.00 C ATOM 403 O TRP A 26 4.247 2.862 -14.071 1.00 0.00 O ATOM 404 CB TRP A 26 6.802 2.459 -16.089 1.00 0.00 C ATOM 405 CG TRP A 26 7.790 2.921 -17.162 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.568 3.765 -18.179 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.173 2.529 -17.282 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.702 3.943 -18.943 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.710 3.169 -18.381 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.946 1.662 -16.489 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.040 3.009 -18.787 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.273 1.514 -16.907 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.828 2.151 -18.011 1.00 0.00 C ATOM 0 H TRP A 26 5.894 4.667 -14.684 1.00 0.00 H new ATOM 0 HA TRP A 26 5.136 3.171 -17.154 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.259 2.591 -15.108 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.618 1.392 -16.214 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.621 4.245 -18.375 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.786 4.535 -19.770 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.547 1.151 -15.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.437 3.520 -19.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.911 0.859 -16.332 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.863 1.984 -18.269 1.00 0.00 H new ATOM 424 N LEU A 27 3.673 1.604 -15.862 1.00 0.00 N ATOM 425 CA LEU A 27 2.622 0.887 -15.161 1.00 0.00 C ATOM 426 C LEU A 27 2.363 -0.446 -15.865 1.00 0.00 C ATOM 427 O LEU A 27 2.876 -0.686 -16.957 1.00 0.00 O ATOM 428 CB LEU A 27 1.374 1.763 -15.027 1.00 0.00 C ATOM 429 CG LEU A 27 0.355 1.660 -16.163 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.056 1.563 -17.519 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.608 0.493 -15.931 1.00 0.00 C ATOM 0 H LEU A 27 3.797 1.333 -16.838 1.00 0.00 H new ATOM 0 HA LEU A 27 2.933 0.655 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.874 1.507 -14.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.692 2.802 -14.944 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.241 2.573 -16.172 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.310 1.491 -18.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.667 2.451 -17.677 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.691 0.677 -17.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.322 0.442 -16.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.045 -0.439 -15.881 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.144 0.644 -14.994 1.00 0.00 H new ATOM 443 N ILE A 28 1.567 -1.280 -15.210 1.00 0.00 N ATOM 444 CA ILE A 28 1.235 -2.583 -15.759 1.00 0.00 C ATOM 445 C ILE A 28 -0.255 -2.622 -16.102 1.00 0.00 C ATOM 446 O ILE A 28 -1.088 -2.166 -15.318 1.00 0.00 O ATOM 447 CB ILE A 28 1.678 -3.695 -14.806 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.662 -3.164 -13.763 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.248 -4.885 -15.579 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.100 -3.233 -14.280 1.00 0.00 C ATOM 0 H ILE A 28 1.143 -1.078 -14.305 1.00 0.00 H new ATOM 0 HA ILE A 28 1.780 -2.756 -16.687 1.00 0.00 H new ATOM 0 HB ILE A 28 0.800 -4.052 -14.267 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.411 -2.133 -13.513 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.574 -3.745 -12.845 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.555 -5.661 -14.878 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.486 -5.283 -16.249 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.110 -4.561 -16.162 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.779 -2.849 -13.519 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.356 -4.268 -14.506 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.191 -2.631 -15.184 1.00 0.00 H new ATOM 462 N LEU A 29 -0.547 -3.172 -17.271 1.00 0.00 N ATOM 463 CA LEU A 29 -1.924 -3.277 -17.725 1.00 0.00 C ATOM 464 C LEU A 29 -2.162 -4.675 -18.299 1.00 0.00 C ATOM 465 O LEU A 29 -1.531 -5.061 -19.282 1.00 0.00 O ATOM 466 CB LEU A 29 -2.253 -2.146 -18.703 1.00 0.00 C ATOM 467 CG LEU A 29 -3.614 -1.473 -18.515 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.124 -0.892 -19.835 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.621 -2.437 -17.886 1.00 0.00 C ATOM 0 H LEU A 29 0.146 -3.550 -17.918 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.612 -3.154 -16.888 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.478 -1.384 -18.620 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.203 -2.543 -19.717 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.491 -0.641 -17.822 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.093 -0.419 -19.674 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.415 -0.151 -20.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.228 -1.692 -20.569 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.580 -1.933 -17.764 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.747 -3.305 -18.533 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.255 -2.761 -16.912 1.00 0.00 H new ATOM 481 N HIS A 30 -3.074 -5.395 -17.662 1.00 0.00 N ATOM 482 CA HIS A 30 -3.403 -6.741 -18.097 1.00 0.00 C ATOM 483 C HIS A 30 -2.277 -7.698 -17.699 1.00 0.00 C ATOM 484 O HIS A 30 -2.532 -8.763 -17.138 1.00 0.00 O ATOM 485 CB HIS A 30 -3.702 -6.769 -19.597 1.00 0.00 C ATOM 486 CG HIS A 30 -4.380 -8.036 -20.064 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.746 -8.977 -20.855 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.641 -8.506 -19.842 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.596 -9.965 -21.094 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.770 -9.669 -20.466 1.00 0.00 N ATOM 0 H HIS A 30 -3.595 -5.071 -16.847 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.312 -7.077 -17.598 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.334 -5.917 -19.847 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.768 -6.645 -20.146 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.405 -8.015 -19.257 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.395 -10.848 -21.682 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.610 -10.248 -20.475 1.00 0.00 H new ATOM 499 N TYR A 31 -1.056 -7.284 -18.004 1.00 0.00 N ATOM 500 CA TYR A 31 0.109 -8.092 -17.686 1.00 0.00 C ATOM 501 C TYR A 31 1.371 -7.509 -18.325 1.00 0.00 C ATOM 502 O TYR A 31 2.481 -7.954 -18.034 1.00 0.00 O ATOM 503 CB TYR A 31 -0.159 -9.474 -18.283 1.00 0.00 C ATOM 504 CG TYR A 31 -0.036 -10.621 -17.277 1.00 0.00 C ATOM 505 CD1 TYR A 31 0.840 -10.517 -16.216 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.803 -11.759 -17.431 1.00 0.00 C ATOM 507 CE1 TYR A 31 0.955 -11.596 -15.270 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.688 -12.838 -16.484 1.00 0.00 C ATOM 509 CZ TYR A 31 0.187 -12.704 -15.450 1.00 0.00 C ATOM 510 OH TYR A 31 0.295 -13.723 -14.557 1.00 0.00 O ATOM 0 H TYR A 31 -0.848 -6.400 -18.468 1.00 0.00 H new ATOM 0 HA TYR A 31 0.269 -8.127 -16.608 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.161 -9.486 -18.711 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.539 -9.646 -19.102 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.439 -9.627 -16.095 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.489 -11.840 -18.261 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.637 -11.527 -14.435 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.283 -13.733 -16.592 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.578 -14.153 -14.444 1.00 0.00 H new ATOM 520 N LYS A 32 1.159 -6.524 -19.185 1.00 0.00 N ATOM 521 CA LYS A 32 2.266 -5.877 -19.869 1.00 0.00 C ATOM 522 C LYS A 32 2.554 -4.530 -19.202 1.00 0.00 C ATOM 523 O LYS A 32 1.773 -4.063 -18.373 1.00 0.00 O ATOM 524 CB LYS A 32 1.982 -5.772 -21.368 1.00 0.00 C ATOM 525 CG LYS A 32 1.044 -6.890 -21.828 1.00 0.00 C ATOM 526 CD LYS A 32 1.669 -8.266 -21.586 1.00 0.00 C ATOM 527 CE LYS A 32 0.655 -9.381 -21.838 1.00 0.00 C ATOM 528 NZ LYS A 32 1.199 -10.686 -21.399 1.00 0.00 N ATOM 0 H LYS A 32 0.237 -6.158 -19.424 1.00 0.00 H new ATOM 0 HA LYS A 32 3.171 -6.478 -19.781 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.535 -4.803 -21.590 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.918 -5.826 -21.924 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.097 -6.818 -21.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.821 -6.769 -22.888 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.530 -8.398 -22.241 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.035 -8.328 -20.561 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.270 -9.167 -21.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.407 -9.422 -22.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.418 -11.308 -21.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.720 -11.127 -22.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.842 -10.541 -20.595 1.00 0.00 H new ATOM 542 N VAL A 33 3.677 -3.943 -19.589 1.00 0.00 N ATOM 543 CA VAL A 33 4.078 -2.658 -19.038 1.00 0.00 C ATOM 544 C VAL A 33 3.969 -1.586 -20.125 1.00 0.00 C ATOM 545 O VAL A 33 4.490 -1.759 -21.225 1.00 0.00 O ATOM 546 CB VAL A 33 5.481 -2.760 -18.438 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.874 -1.459 -17.736 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.583 -3.952 -17.483 1.00 0.00 C ATOM 0 H VAL A 33 4.322 -4.332 -20.277 1.00 0.00 H new ATOM 0 HA VAL A 33 3.413 -2.367 -18.225 1.00 0.00 H new ATOM 0 HB VAL A 33 6.184 -2.924 -19.255 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.876 -1.559 -17.318 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.861 -0.639 -18.455 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.166 -1.250 -16.934 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.590 -4.002 -17.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.864 -3.831 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.367 -4.872 -18.026 1.00 0.00 H new ATOM 558 N TYR A 34 3.286 -0.505 -19.778 1.00 0.00 N ATOM 559 CA TYR A 34 3.102 0.595 -20.709 1.00 0.00 C ATOM 560 C TYR A 34 3.766 1.872 -20.189 1.00 0.00 C ATOM 561 O TYR A 34 3.906 2.055 -18.982 1.00 0.00 O ATOM 562 CB TYR A 34 1.593 0.821 -20.803 1.00 0.00 C ATOM 563 CG TYR A 34 0.792 -0.445 -21.113 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.745 -1.475 -20.195 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.116 -0.557 -22.311 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.008 -2.667 -20.488 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.638 -1.749 -22.603 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.663 -2.745 -21.678 1.00 0.00 C ATOM 569 OH TYR A 34 -1.375 -3.870 -21.955 1.00 0.00 O ATOM 0 H TYR A 34 2.853 -0.368 -18.865 1.00 0.00 H new ATOM 0 HA TYR A 34 3.550 0.359 -21.674 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.240 1.241 -19.861 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.395 1.563 -21.577 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.273 -1.387 -19.257 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.152 0.249 -23.029 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.052 -3.481 -19.779 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.172 -1.849 -23.536 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.508 -4.384 -21.131 1.00 0.00 H new ATOM 579 N ASP A 35 4.159 2.720 -21.128 1.00 0.00 N ATOM 580 CA ASP A 35 4.805 3.975 -20.780 1.00 0.00 C ATOM 581 C ASP A 35 3.739 5.053 -20.574 1.00 0.00 C ATOM 582 O ASP A 35 3.362 5.746 -21.519 1.00 0.00 O ATOM 583 CB ASP A 35 5.741 4.441 -21.896 1.00 0.00 C ATOM 584 CG ASP A 35 7.139 4.859 -21.436 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.234 5.945 -20.825 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.081 4.083 -21.706 1.00 0.00 O ATOM 0 H ASP A 35 4.043 2.563 -22.129 1.00 0.00 H new ATOM 0 HA ASP A 35 5.382 3.816 -19.869 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.840 3.637 -22.625 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.277 5.283 -22.410 1.00 0.00 H new ATOM 591 N LEU A 36 3.283 5.161 -19.336 1.00 0.00 N ATOM 592 CA LEU A 36 2.268 6.144 -18.995 1.00 0.00 C ATOM 593 C LEU A 36 2.800 7.546 -19.294 1.00 0.00 C ATOM 594 O LEU A 36 2.029 8.458 -19.587 1.00 0.00 O ATOM 595 CB LEU A 36 1.804 5.956 -17.550 1.00 0.00 C ATOM 596 CG LEU A 36 0.886 4.760 -17.289 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.066 4.965 -16.014 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.002 4.476 -18.502 1.00 0.00 C ATOM 0 H LEU A 36 3.597 4.584 -18.556 1.00 0.00 H new ATOM 0 HA LEU A 36 1.380 6.003 -19.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.685 5.857 -16.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.286 6.862 -17.235 1.00 0.00 H new ATOM 0 HG LEU A 36 1.509 3.879 -17.132 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.578 4.100 -15.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.738 5.081 -15.164 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.548 5.860 -16.116 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.645 3.621 -18.290 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.618 5.350 -18.714 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.623 4.254 -19.367 1.00 0.00 H new ATOM 610 N THR A 37 4.116 7.675 -19.207 1.00 0.00 N ATOM 611 CA THR A 37 4.762 8.951 -19.463 1.00 0.00 C ATOM 612 C THR A 37 4.300 9.522 -20.805 1.00 0.00 C ATOM 613 O THR A 37 4.410 10.725 -21.044 1.00 0.00 O ATOM 614 CB THR A 37 6.275 8.741 -19.383 1.00 0.00 C ATOM 615 OG1 THR A 37 6.680 9.553 -18.284 1.00 0.00 O ATOM 616 CG2 THR A 37 7.016 9.338 -20.581 1.00 0.00 C ATOM 0 H THR A 37 4.753 6.916 -18.963 1.00 0.00 H new ATOM 0 HA THR A 37 4.482 9.692 -18.714 1.00 0.00 H new ATOM 0 HB THR A 37 6.490 7.674 -19.321 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.923 9.680 -17.674 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.086 9.160 -20.473 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.661 8.869 -21.499 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.829 10.411 -20.626 1.00 0.00 H new ATOM 624 N LYS A 38 3.790 8.634 -21.647 1.00 0.00 N ATOM 625 CA LYS A 38 3.310 9.035 -22.958 1.00 0.00 C ATOM 626 C LYS A 38 1.789 9.197 -22.912 1.00 0.00 C ATOM 627 O LYS A 38 1.225 10.004 -23.650 1.00 0.00 O ATOM 628 CB LYS A 38 3.792 8.054 -24.029 1.00 0.00 C ATOM 629 CG LYS A 38 4.453 8.794 -25.193 1.00 0.00 C ATOM 630 CD LYS A 38 4.306 8.007 -26.498 1.00 0.00 C ATOM 631 CE LYS A 38 4.889 8.787 -27.677 1.00 0.00 C ATOM 632 NZ LYS A 38 5.729 7.905 -28.518 1.00 0.00 N ATOM 0 H LYS A 38 3.699 7.638 -21.446 1.00 0.00 H new ATOM 0 HA LYS A 38 3.726 10.003 -23.236 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.501 7.351 -23.591 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.949 7.469 -24.397 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.001 9.779 -25.306 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.510 8.951 -24.976 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.813 7.046 -26.407 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.253 7.795 -26.683 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.082 9.209 -28.276 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.484 9.623 -27.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.117 8.451 -29.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.510 7.522 -27.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.151 7.122 -28.884 1.00 0.00 H new ATOM 646 N PHE A 39 1.169 8.417 -22.040 1.00 0.00 N ATOM 647 CA PHE A 39 -0.275 8.463 -21.888 1.00 0.00 C ATOM 648 C PHE A 39 -0.701 9.683 -21.069 1.00 0.00 C ATOM 649 O PHE A 39 -1.888 9.872 -20.803 1.00 0.00 O ATOM 650 CB PHE A 39 -0.688 7.192 -21.142 1.00 0.00 C ATOM 651 CG PHE A 39 -1.330 6.128 -22.034 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.446 6.425 -22.752 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.783 4.884 -22.109 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.042 5.437 -23.579 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.379 3.897 -22.938 1.00 0.00 C ATOM 656 CZ PHE A 39 -2.496 4.193 -23.654 1.00 0.00 C ATOM 0 H PHE A 39 1.641 7.749 -21.431 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.750 8.532 -22.867 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.191 6.765 -20.659 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.388 7.459 -20.351 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.879 7.413 -22.693 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.103 4.648 -21.539 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.929 5.673 -24.149 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.944 2.910 -23.000 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.950 3.441 -24.282 1.00 0.00 H new ATOM 666 N LEU A 40 0.289 10.477 -20.689 1.00 0.00 N ATOM 667 CA LEU A 40 0.030 11.673 -19.907 1.00 0.00 C ATOM 668 C LEU A 40 -0.340 12.823 -20.845 1.00 0.00 C ATOM 669 O LEU A 40 -0.139 13.990 -20.513 1.00 0.00 O ATOM 670 CB LEU A 40 1.220 11.983 -18.995 1.00 0.00 C ATOM 671 CG LEU A 40 1.080 11.544 -17.536 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.299 10.037 -17.393 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.013 12.349 -16.629 1.00 0.00 C ATOM 0 H LEU A 40 1.272 10.315 -20.908 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.821 11.517 -19.244 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.107 11.507 -19.413 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.397 13.058 -19.015 1.00 0.00 H new ATOM 0 HG LEU A 40 0.060 11.752 -17.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.194 9.752 -16.346 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.560 9.504 -17.990 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.300 9.780 -17.740 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.894 12.017 -15.598 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.046 12.196 -16.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.765 13.408 -16.700 1.00 0.00 H new ATOM 685 N GLU A 41 -0.875 12.453 -21.999 1.00 0.00 N ATOM 686 CA GLU A 41 -1.277 13.438 -22.989 1.00 0.00 C ATOM 687 C GLU A 41 -2.801 13.553 -23.033 1.00 0.00 C ATOM 688 O GLU A 41 -3.362 14.577 -22.644 1.00 0.00 O ATOM 689 CB GLU A 41 -0.712 13.093 -24.367 1.00 0.00 C ATOM 690 CG GLU A 41 0.172 14.224 -24.896 1.00 0.00 C ATOM 691 CD GLU A 41 0.235 14.202 -26.425 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.814 13.897 -27.031 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.332 14.489 -26.953 1.00 0.00 O ATOM 0 H GLU A 41 -1.040 11.484 -22.271 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.868 14.405 -22.698 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.132 12.172 -24.306 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.530 12.910 -25.064 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.219 15.184 -24.558 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.177 14.127 -24.486 1.00 0.00 H new ATOM 700 N GLU A 42 -3.430 12.491 -23.514 1.00 0.00 N ATOM 701 CA GLU A 42 -4.879 12.460 -23.615 1.00 0.00 C ATOM 702 C GLU A 42 -5.470 11.573 -22.516 1.00 0.00 C ATOM 703 O GLU A 42 -5.025 10.443 -22.320 1.00 0.00 O ATOM 704 CB GLU A 42 -5.322 11.986 -25.001 1.00 0.00 C ATOM 705 CG GLU A 42 -6.297 12.979 -25.634 1.00 0.00 C ATOM 706 CD GLU A 42 -7.228 12.276 -26.625 1.00 0.00 C ATOM 707 OE1 GLU A 42 -7.945 11.356 -26.176 1.00 0.00 O ATOM 708 OE2 GLU A 42 -7.201 12.674 -27.809 1.00 0.00 O ATOM 0 H GLU A 42 -2.962 11.645 -23.838 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.255 13.474 -23.477 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.450 11.867 -25.644 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.795 11.007 -24.921 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.887 13.462 -24.855 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.741 13.764 -26.146 1.00 0.00 H new ATOM 715 N HIS A 43 -6.462 12.118 -21.830 1.00 0.00 N ATOM 716 CA HIS A 43 -7.120 11.391 -20.758 1.00 0.00 C ATOM 717 C HIS A 43 -8.164 12.289 -20.093 1.00 0.00 C ATOM 718 O HIS A 43 -7.843 13.380 -19.625 1.00 0.00 O ATOM 719 CB HIS A 43 -6.092 10.843 -19.765 1.00 0.00 C ATOM 720 CG HIS A 43 -6.378 9.435 -19.298 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.514 8.379 -19.526 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.441 8.923 -18.615 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.043 7.285 -19.001 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.238 7.623 -18.436 1.00 0.00 N ATOM 0 H HIS A 43 -6.827 13.056 -21.995 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.643 10.527 -21.167 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.106 10.868 -20.228 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.053 11.502 -18.897 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.302 9.480 -18.277 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.605 6.298 -19.017 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.871 6.983 -17.956 1.00 0.00 H new ATOM 733 N PRO A 44 -9.426 11.785 -20.071 1.00 0.00 N ATOM 734 CA PRO A 44 -10.521 12.529 -19.471 1.00 0.00 C ATOM 735 C PRO A 44 -10.441 12.485 -17.944 1.00 0.00 C ATOM 736 O PRO A 44 -11.301 13.034 -17.258 1.00 0.00 O ATOM 737 CB PRO A 44 -11.783 11.882 -20.018 1.00 0.00 C ATOM 738 CG PRO A 44 -11.361 10.514 -20.533 1.00 0.00 C ATOM 739 CD PRO A 44 -9.844 10.495 -20.616 1.00 0.00 C ATOM 0 HA PRO A 44 -10.494 13.590 -19.719 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.543 11.790 -19.242 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.216 12.484 -20.817 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.717 9.729 -19.866 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.799 10.323 -21.513 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.426 9.668 -20.041 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.505 10.371 -21.645 1.00 0.00 H new ATOM 747 N GLY A 45 -9.399 11.828 -17.455 1.00 0.00 N ATOM 748 CA GLY A 45 -9.195 11.706 -16.023 1.00 0.00 C ATOM 749 C GLY A 45 -8.066 12.624 -15.550 1.00 0.00 C ATOM 750 O GLY A 45 -8.186 13.281 -14.517 1.00 0.00 O ATOM 0 H GLY A 45 -8.687 11.374 -18.027 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.117 11.957 -15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.957 10.672 -15.773 1.00 0.00 H new ATOM 754 N GLY A 46 -6.993 12.637 -16.327 1.00 0.00 N ATOM 755 CA GLY A 46 -5.843 13.462 -16.001 1.00 0.00 C ATOM 756 C GLY A 46 -4.573 12.614 -15.889 1.00 0.00 C ATOM 757 O GLY A 46 -4.638 11.436 -15.543 1.00 0.00 O ATOM 0 H GLY A 46 -6.896 12.089 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.709 14.225 -16.768 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.020 13.984 -15.061 1.00 0.00 H new ATOM 761 N GLU A 47 -3.449 13.247 -16.190 1.00 0.00 N ATOM 762 CA GLU A 47 -2.167 12.565 -16.128 1.00 0.00 C ATOM 763 C GLU A 47 -2.098 11.674 -14.887 1.00 0.00 C ATOM 764 O GLU A 47 -1.640 10.535 -14.961 1.00 0.00 O ATOM 765 CB GLU A 47 -1.012 13.569 -16.146 1.00 0.00 C ATOM 766 CG GLU A 47 -0.779 14.113 -17.558 1.00 0.00 C ATOM 767 CD GLU A 47 -1.395 15.504 -17.716 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.246 16.304 -16.767 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.001 15.738 -18.785 1.00 0.00 O ATOM 0 H GLU A 47 -3.399 14.224 -16.477 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.071 11.932 -17.011 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.231 14.393 -15.467 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.103 13.089 -15.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.291 14.159 -17.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.214 13.433 -18.290 1.00 0.00 H new ATOM 776 N GLU A 48 -2.563 12.225 -13.775 1.00 0.00 N ATOM 777 CA GLU A 48 -2.560 11.493 -12.520 1.00 0.00 C ATOM 778 C GLU A 48 -3.211 10.120 -12.705 1.00 0.00 C ATOM 779 O GLU A 48 -2.688 9.113 -12.231 1.00 0.00 O ATOM 780 CB GLU A 48 -3.264 12.290 -11.420 1.00 0.00 C ATOM 781 CG GLU A 48 -2.367 12.435 -10.187 1.00 0.00 C ATOM 782 CD GLU A 48 -2.637 13.756 -9.465 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.721 13.857 -8.852 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.753 14.635 -9.543 1.00 0.00 O ATOM 0 H GLU A 48 -2.944 13.169 -13.717 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.526 11.344 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.533 13.277 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.192 11.791 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.541 11.602 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.320 12.388 -10.487 1.00 0.00 H new ATOM 791 N VAL A 49 -4.342 10.125 -13.393 1.00 0.00 N ATOM 792 CA VAL A 49 -5.069 8.893 -13.647 1.00 0.00 C ATOM 793 C VAL A 49 -4.082 7.798 -14.051 1.00 0.00 C ATOM 794 O VAL A 49 -4.351 6.612 -13.860 1.00 0.00 O ATOM 795 CB VAL A 49 -6.159 9.133 -14.695 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.572 9.122 -16.107 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.285 8.107 -14.560 1.00 0.00 C ATOM 0 H VAL A 49 -4.774 10.963 -13.783 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.576 8.556 -12.743 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.584 10.121 -14.517 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.367 9.295 -16.833 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.823 9.908 -16.196 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.108 8.155 -16.301 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.046 8.300 -15.316 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.882 7.104 -14.699 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.731 8.185 -13.568 1.00 0.00 H new ATOM 807 N LEU A 50 -2.959 8.232 -14.603 1.00 0.00 N ATOM 808 CA LEU A 50 -1.929 7.301 -15.037 1.00 0.00 C ATOM 809 C LEU A 50 -0.729 7.402 -14.095 1.00 0.00 C ATOM 810 O LEU A 50 -0.133 6.390 -13.730 1.00 0.00 O ATOM 811 CB LEU A 50 -1.580 7.537 -16.508 1.00 0.00 C ATOM 812 CG LEU A 50 -2.761 7.596 -17.478 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.671 8.828 -18.380 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.871 6.300 -18.285 1.00 0.00 C ATOM 0 H LEU A 50 -2.739 9.215 -14.760 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.293 6.275 -14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.027 8.473 -16.584 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.908 6.743 -16.833 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.677 7.692 -16.895 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.523 8.845 -19.059 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.678 9.729 -17.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.747 8.789 -18.957 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.718 6.367 -18.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.956 6.149 -18.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.018 5.460 -17.606 1.00 0.00 H new ATOM 826 N ARG A 51 -0.406 8.634 -13.727 1.00 0.00 N ATOM 827 CA ARG A 51 0.714 8.880 -12.836 1.00 0.00 C ATOM 828 C ARG A 51 0.440 8.270 -11.459 1.00 0.00 C ATOM 829 O ARG A 51 1.294 7.584 -10.899 1.00 0.00 O ATOM 830 CB ARG A 51 0.974 10.381 -12.678 1.00 0.00 C ATOM 831 CG ARG A 51 2.459 10.656 -12.434 1.00 0.00 C ATOM 832 CD ARG A 51 2.665 11.444 -11.139 1.00 0.00 C ATOM 833 NE ARG A 51 2.626 12.897 -11.418 1.00 0.00 N ATOM 834 CZ ARG A 51 3.675 13.605 -11.858 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.850 13.000 -12.072 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.547 14.919 -12.084 1.00 0.00 N ATOM 0 H ARG A 51 -0.901 9.472 -14.030 1.00 0.00 H new ATOM 0 HA ARG A 51 1.596 8.414 -13.276 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.645 10.907 -13.574 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.387 10.770 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.003 9.713 -12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.872 11.215 -13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.890 11.183 -10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.622 11.177 -10.690 1.00 0.00 H new ATOM 0 HE ARG A 51 1.746 13.390 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.947 11.999 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.648 13.540 -12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.652 15.380 -11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.345 15.459 -12.419 1.00 0.00 H new ATOM 850 N GLU A 52 -0.754 8.542 -10.955 1.00 0.00 N ATOM 851 CA GLU A 52 -1.152 8.029 -9.654 1.00 0.00 C ATOM 852 C GLU A 52 -1.070 6.501 -9.639 1.00 0.00 C ATOM 853 O GLU A 52 -0.980 5.891 -8.575 1.00 0.00 O ATOM 854 CB GLU A 52 -2.555 8.507 -9.282 1.00 0.00 C ATOM 855 CG GLU A 52 -2.545 9.253 -7.946 1.00 0.00 C ATOM 856 CD GLU A 52 -2.465 8.275 -6.772 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.323 7.959 -6.376 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.547 7.867 -6.298 1.00 0.00 O ATOM 0 H GLU A 52 -1.459 9.111 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.462 8.418 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.939 9.161 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.229 7.653 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.696 9.936 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.446 9.860 -7.858 1.00 0.00 H new ATOM 865 N GLN A 53 -1.105 5.927 -10.832 1.00 0.00 N ATOM 866 CA GLN A 53 -1.036 4.483 -10.971 1.00 0.00 C ATOM 867 C GLN A 53 0.390 4.049 -11.314 1.00 0.00 C ATOM 868 O GLN A 53 0.801 2.937 -10.985 1.00 0.00 O ATOM 869 CB GLN A 53 -2.030 3.984 -12.021 1.00 0.00 C ATOM 870 CG GLN A 53 -1.687 4.538 -13.406 1.00 0.00 C ATOM 871 CD GLN A 53 -2.524 3.858 -14.491 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.151 2.841 -15.054 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.672 4.474 -14.754 1.00 0.00 N ATOM 0 H GLN A 53 -1.180 6.437 -11.712 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.311 4.033 -10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.020 2.894 -12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.040 4.286 -11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.864 5.613 -13.426 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.627 4.386 -13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.924 5.322 -14.246 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.301 4.099 -15.464 1.00 0.00 H new ATOM 882 N ALA A 54 1.105 4.950 -11.971 1.00 0.00 N ATOM 883 CA ALA A 54 2.477 4.675 -12.363 1.00 0.00 C ATOM 884 C ALA A 54 3.273 4.222 -11.138 1.00 0.00 C ATOM 885 O ALA A 54 3.246 4.879 -10.098 1.00 0.00 O ATOM 886 CB ALA A 54 3.080 5.918 -13.023 1.00 0.00 C ATOM 0 H ALA A 54 0.760 5.871 -12.242 1.00 0.00 H new ATOM 0 HA ALA A 54 2.511 3.868 -13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.109 5.711 -13.317 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.497 6.181 -13.905 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.064 6.749 -12.317 1.00 0.00 H new ATOM 892 N GLY A 55 3.962 3.102 -11.299 1.00 0.00 N ATOM 893 CA GLY A 55 4.764 2.553 -10.219 1.00 0.00 C ATOM 894 C GLY A 55 4.308 1.138 -9.862 1.00 0.00 C ATOM 895 O GLY A 55 4.621 0.634 -8.784 1.00 0.00 O ATOM 0 H GLY A 55 3.981 2.559 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.814 2.537 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.688 3.196 -9.342 1.00 0.00 H new ATOM 899 N GLY A 56 3.577 0.535 -10.787 1.00 0.00 N ATOM 900 CA GLY A 56 3.074 -0.813 -10.584 1.00 0.00 C ATOM 901 C GLY A 56 1.882 -1.098 -11.500 1.00 0.00 C ATOM 902 O GLY A 56 1.526 -0.272 -12.339 1.00 0.00 O ATOM 0 H GLY A 56 3.320 0.955 -11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.868 -1.534 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.776 -0.941 -9.543 1.00 0.00 H new ATOM 906 N ASP A 57 1.296 -2.272 -11.307 1.00 0.00 N ATOM 907 CA ASP A 57 0.151 -2.676 -12.107 1.00 0.00 C ATOM 908 C ASP A 57 -1.038 -1.770 -11.779 1.00 0.00 C ATOM 909 O ASP A 57 -1.377 -1.579 -10.613 1.00 0.00 O ATOM 910 CB ASP A 57 -0.254 -4.118 -11.795 1.00 0.00 C ATOM 911 CG ASP A 57 -1.756 -4.400 -11.882 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.473 -3.940 -10.968 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.152 -5.070 -12.859 1.00 0.00 O ATOM 0 H ASP A 57 1.592 -2.955 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 57 0.427 -2.597 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.266 -4.783 -12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.090 -4.367 -10.791 1.00 0.00 H new ATOM 918 N ALA A 58 -1.639 -1.236 -12.832 1.00 0.00 N ATOM 919 CA ALA A 58 -2.784 -0.354 -12.673 1.00 0.00 C ATOM 920 C ALA A 58 -4.052 -1.088 -13.113 1.00 0.00 C ATOM 921 O ALA A 58 -5.158 -0.703 -12.737 1.00 0.00 O ATOM 922 CB ALA A 58 -2.550 0.934 -13.466 1.00 0.00 C ATOM 0 H ALA A 58 -1.355 -1.397 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.911 -0.074 -11.627 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.408 1.595 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.654 1.432 -13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.421 0.693 -14.521 1.00 0.00 H new ATOM 928 N THR A 59 -3.850 -2.131 -13.904 1.00 0.00 N ATOM 929 CA THR A 59 -4.963 -2.922 -14.399 1.00 0.00 C ATOM 930 C THR A 59 -5.984 -3.165 -13.284 1.00 0.00 C ATOM 931 O THR A 59 -7.189 -3.082 -13.511 1.00 0.00 O ATOM 932 CB THR A 59 -4.399 -4.212 -14.996 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.231 -4.466 -16.125 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.621 -5.424 -14.091 1.00 0.00 C ATOM 0 H THR A 59 -2.931 -2.447 -14.215 1.00 0.00 H new ATOM 0 HA THR A 59 -5.504 -2.393 -15.183 1.00 0.00 H new ATOM 0 HB THR A 59 -3.332 -4.088 -15.181 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.958 -3.809 -16.150 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.201 -6.312 -14.563 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.131 -5.257 -13.132 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.690 -5.568 -13.932 1.00 0.00 H new ATOM 942 N GLU A 60 -5.461 -3.460 -12.102 1.00 0.00 N ATOM 943 CA GLU A 60 -6.310 -3.714 -10.951 1.00 0.00 C ATOM 944 C GLU A 60 -7.331 -2.586 -10.784 1.00 0.00 C ATOM 945 O GLU A 60 -8.497 -2.840 -10.484 1.00 0.00 O ATOM 946 CB GLU A 60 -5.474 -3.890 -9.682 1.00 0.00 C ATOM 947 CG GLU A 60 -5.617 -5.307 -9.122 1.00 0.00 C ATOM 948 CD GLU A 60 -6.182 -5.281 -7.700 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.313 -4.770 -7.549 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.471 -5.772 -6.798 1.00 0.00 O ATOM 0 H GLU A 60 -4.460 -3.529 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.852 -4.644 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.426 -3.686 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.789 -3.165 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.273 -5.892 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.646 -5.802 -9.122 1.00 0.00 H new ATOM 957 N ASN A 61 -6.855 -1.367 -10.987 1.00 0.00 N ATOM 958 CA ASN A 61 -7.712 -0.200 -10.863 1.00 0.00 C ATOM 959 C ASN A 61 -8.364 0.096 -12.215 1.00 0.00 C ATOM 960 O ASN A 61 -9.575 0.299 -12.292 1.00 0.00 O ATOM 961 CB ASN A 61 -6.907 1.032 -10.447 1.00 0.00 C ATOM 962 CG ASN A 61 -7.578 1.758 -9.280 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.765 2.043 -9.291 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.756 2.042 -8.273 1.00 0.00 N ATOM 0 H ASN A 61 -5.888 -1.162 -11.236 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.464 -0.414 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.899 0.732 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.810 1.711 -11.295 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.109 2.526 -7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.773 1.776 -8.327 1.00 0.00 H new ATOM 971 N PHE A 62 -7.533 0.108 -13.246 1.00 0.00 N ATOM 972 CA PHE A 62 -8.014 0.374 -14.591 1.00 0.00 C ATOM 973 C PHE A 62 -9.169 -0.561 -14.956 1.00 0.00 C ATOM 974 O PHE A 62 -9.915 -0.293 -15.896 1.00 0.00 O ATOM 975 CB PHE A 62 -6.844 0.116 -15.544 1.00 0.00 C ATOM 976 CG PHE A 62 -7.208 -0.739 -16.759 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.521 -2.053 -16.597 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.218 -0.185 -18.001 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.858 -2.846 -17.723 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.554 -0.980 -19.129 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.868 -2.294 -18.966 1.00 0.00 C ATOM 0 H PHE A 62 -6.530 -0.062 -13.177 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.377 1.400 -14.660 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.453 1.073 -15.890 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.042 -0.376 -14.994 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.513 -2.492 -15.610 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.971 0.858 -18.129 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.107 -3.889 -17.594 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.560 -0.542 -20.116 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.125 -2.898 -19.823 1.00 0.00 H new ATOM 991 N GLU A 63 -9.278 -1.638 -14.194 1.00 0.00 N ATOM 992 CA GLU A 63 -10.330 -2.616 -14.426 1.00 0.00 C ATOM 993 C GLU A 63 -11.625 -2.173 -13.742 1.00 0.00 C ATOM 994 O GLU A 63 -12.716 -2.453 -14.234 1.00 0.00 O ATOM 995 CB GLU A 63 -9.902 -4.004 -13.944 1.00 0.00 C ATOM 996 CG GLU A 63 -9.251 -4.800 -15.077 1.00 0.00 C ATOM 997 CD GLU A 63 -9.978 -6.127 -15.303 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.226 -6.107 -15.249 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.268 -7.132 -15.525 1.00 0.00 O ATOM 0 H GLU A 63 -8.656 -1.856 -13.415 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.512 -2.680 -15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.201 -3.905 -13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.769 -4.545 -13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.266 -4.212 -15.995 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.205 -4.991 -14.838 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.461 -1.488 -12.620 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.603 -1.003 -11.865 1.00 0.00 C ATOM 1008 C ASP A 64 -13.262 0.148 -12.628 1.00 0.00 C ATOM 1009 O ASP A 64 -14.474 0.339 -12.544 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.175 -0.478 -10.493 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.052 -0.931 -9.324 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.424 -2.125 -9.324 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.331 -0.074 -8.459 1.00 0.00 O ATOM 0 H ASP A 64 -10.554 -1.257 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.296 -1.834 -11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.150 -0.796 -10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.170 0.612 -10.523 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.434 0.886 -13.353 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.920 2.013 -14.130 1.00 0.00 C ATOM 1020 C VAL A 65 -13.487 1.506 -15.457 1.00 0.00 C ATOM 1021 O VAL A 65 -13.877 2.298 -16.312 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.806 3.044 -14.310 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.431 2.408 -14.096 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.893 3.711 -15.684 1.00 0.00 C ATOM 0 H VAL A 65 -11.429 0.725 -13.418 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.729 2.519 -13.604 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.940 3.817 -13.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.656 3.163 -14.230 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.371 2.002 -13.086 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.285 1.606 -14.819 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.089 4.440 -15.786 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.798 2.954 -16.463 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.854 4.215 -15.784 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.513 0.186 -15.588 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.025 -0.435 -16.798 1.00 0.00 C ATOM 1036 C GLY A 66 -13.725 0.426 -18.026 1.00 0.00 C ATOM 1037 O GLY A 66 -14.578 1.186 -18.480 1.00 0.00 O ATOM 0 H GLY A 66 -13.188 -0.469 -14.877 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.577 -1.421 -16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.101 -0.583 -16.708 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.508 0.278 -18.530 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.085 1.032 -19.697 1.00 0.00 C ATOM 1043 C HIS A 67 -12.767 0.471 -20.947 1.00 0.00 C ATOM 1044 O HIS A 67 -13.556 -0.469 -20.858 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.559 1.048 -19.810 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.883 2.012 -18.865 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.494 1.656 -17.585 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.531 3.320 -19.024 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.934 2.710 -17.009 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.959 3.740 -17.902 1.00 0.00 N ATOM 0 H HIS A 67 -11.802 -0.353 -18.151 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.394 2.072 -19.594 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.180 0.044 -19.620 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.283 1.305 -20.833 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.617 0.738 -17.158 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.691 3.913 -19.912 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.529 2.747 -16.008 1.00 0.00 H new ATOM 1059 N SER A 68 -12.438 1.070 -22.081 1.00 0.00 N ATOM 1060 CA SER A 68 -13.008 0.641 -23.347 1.00 0.00 C ATOM 1061 C SER A 68 -11.981 -0.177 -24.133 1.00 0.00 C ATOM 1062 O SER A 68 -10.779 0.067 -24.034 1.00 0.00 O ATOM 1063 CB SER A 68 -13.478 1.840 -24.174 1.00 0.00 C ATOM 1064 OG SER A 68 -12.425 2.389 -24.964 1.00 0.00 O ATOM 0 H SER A 68 -11.784 1.849 -22.150 1.00 0.00 H new ATOM 0 HA SER A 68 -13.876 0.016 -23.137 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.297 1.533 -24.824 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.870 2.609 -23.508 1.00 0.00 H new ATOM 0 HG SER A 68 -12.769 3.141 -25.490 1.00 0.00 H new ATOM 1070 N THR A 69 -12.493 -1.131 -24.897 1.00 0.00 N ATOM 1071 CA THR A 69 -11.636 -1.987 -25.700 1.00 0.00 C ATOM 1072 C THR A 69 -10.676 -1.142 -26.541 1.00 0.00 C ATOM 1073 O THR A 69 -9.634 -1.630 -26.978 1.00 0.00 O ATOM 1074 CB THR A 69 -12.532 -2.903 -26.537 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.852 -3.974 -25.654 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.772 -3.578 -27.681 1.00 0.00 C ATOM 0 H THR A 69 -13.490 -1.330 -24.977 1.00 0.00 H new ATOM 0 HA THR A 69 -11.003 -2.614 -25.072 1.00 0.00 H new ATOM 0 HB THR A 69 -13.363 -2.327 -26.943 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.432 -4.615 -26.115 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.453 -4.217 -28.243 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.359 -2.817 -28.343 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.962 -4.182 -27.273 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.061 0.109 -26.741 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.249 1.026 -27.523 1.00 0.00 C ATOM 1086 C ASP A 70 -9.060 1.492 -26.679 1.00 0.00 C ATOM 1087 O ASP A 70 -7.922 1.489 -27.146 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.052 2.262 -27.932 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.329 3.218 -28.884 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.327 2.917 -30.097 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.793 4.227 -28.376 1.00 0.00 O ATOM 0 H ASP A 70 -11.925 0.510 -26.375 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.915 0.502 -28.418 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.978 1.935 -28.404 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.329 2.811 -27.032 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.365 1.883 -25.450 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.337 2.353 -24.538 1.00 0.00 C ATOM 1098 C ALA A 71 -7.297 1.248 -24.337 1.00 0.00 C ATOM 1099 O ALA A 71 -6.095 1.512 -24.355 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.983 2.790 -23.220 1.00 0.00 C ATOM 0 H ALA A 71 -10.310 1.884 -25.065 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.823 3.220 -24.953 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.211 3.143 -22.536 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.693 3.595 -23.412 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.505 1.944 -22.773 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.796 0.035 -24.152 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.925 -1.110 -23.950 1.00 0.00 C ATOM 1108 C ARG A 72 -6.091 -1.371 -25.205 1.00 0.00 C ATOM 1109 O ARG A 72 -4.886 -1.605 -25.118 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.733 -2.365 -23.614 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.711 -2.096 -22.466 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.421 -3.382 -22.037 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.424 -4.400 -21.638 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.672 -5.717 -21.590 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.886 -6.182 -21.918 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.707 -6.567 -21.216 1.00 0.00 N ATOM 0 H ARG A 72 -8.793 -0.180 -24.138 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.266 -0.881 -23.113 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.283 -2.695 -24.495 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.057 -3.174 -23.339 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.174 -1.673 -21.617 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.448 -1.356 -22.778 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.095 -3.175 -21.206 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.032 -3.761 -22.856 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.490 -4.080 -21.384 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.620 -5.534 -22.204 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.075 -7.184 -21.882 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.783 -6.213 -20.968 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.896 -7.569 -21.179 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.765 -1.323 -26.346 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.101 -1.552 -27.618 1.00 0.00 C ATOM 1132 C GLU A 73 -5.066 -0.456 -27.881 1.00 0.00 C ATOM 1133 O GLU A 73 -3.992 -0.727 -28.415 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.117 -1.634 -28.759 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.533 -2.384 -29.959 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.417 -2.212 -31.196 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.572 -2.689 -31.138 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -6.920 -1.606 -32.169 1.00 0.00 O ATOM 0 H GLU A 73 -7.764 -1.129 -26.415 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.582 -2.509 -27.569 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.018 -2.140 -28.413 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.412 -0.629 -29.062 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.530 -2.014 -30.170 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.438 -3.443 -29.720 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.428 0.759 -27.495 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.544 1.898 -27.684 1.00 0.00 C ATOM 1147 C LEU A 74 -3.264 1.682 -26.876 1.00 0.00 C ATOM 1148 O LEU A 74 -2.168 1.971 -27.355 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.272 3.202 -27.348 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.790 3.935 -26.094 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.656 4.906 -26.429 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.953 4.633 -25.386 1.00 0.00 C ATOM 0 H LEU A 74 -6.320 0.980 -27.053 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.250 1.985 -28.730 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.178 3.877 -28.198 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.333 2.983 -27.231 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.387 3.197 -25.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.332 5.414 -25.521 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.818 4.354 -26.855 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.009 5.643 -27.150 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.583 5.146 -24.498 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.408 5.358 -26.061 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.698 3.893 -25.093 1.00 0.00 H new ATOM 1164 N SER A 75 -3.444 1.179 -25.663 1.00 0.00 N ATOM 1165 CA SER A 75 -2.316 0.921 -24.785 1.00 0.00 C ATOM 1166 C SER A 75 -1.296 0.025 -25.490 1.00 0.00 C ATOM 1167 O SER A 75 -0.114 0.037 -25.151 1.00 0.00 O ATOM 1168 CB SER A 75 -2.773 0.275 -23.475 1.00 0.00 C ATOM 1169 OG SER A 75 -3.111 -1.099 -23.648 1.00 0.00 O ATOM 0 H SER A 75 -4.354 0.943 -25.268 1.00 0.00 H new ATOM 0 HA SER A 75 -1.847 1.875 -24.544 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.981 0.363 -22.731 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.636 0.815 -23.086 1.00 0.00 H new ATOM 0 HG SER A 75 -3.586 -1.215 -24.497 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.790 -0.730 -26.460 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.937 -1.629 -27.217 1.00 0.00 C ATOM 1177 C LYS A 76 0.102 -0.811 -27.987 1.00 0.00 C ATOM 1178 O LYS A 76 1.125 -1.346 -28.415 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.779 -2.546 -28.106 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.777 -2.058 -29.556 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.596 -2.991 -30.451 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.485 -2.579 -31.920 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.283 -3.185 -32.537 1.00 0.00 N ATOM 0 H LYS A 76 -2.771 -0.737 -26.739 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.390 -2.290 -26.545 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.388 -3.562 -28.060 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.802 -2.581 -27.732 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.187 -1.049 -29.604 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.752 -2.003 -29.923 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.246 -4.016 -30.330 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.641 -2.972 -30.142 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.377 -2.894 -32.461 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.433 -1.493 -31.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.221 -2.896 -33.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.433 -2.864 -32.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.349 -4.221 -32.480 1.00 0.00 H new ATOM 1197 N THR A 77 -0.193 0.469 -28.141 1.00 0.00 N ATOM 1198 CA THR A 77 0.702 1.367 -28.851 1.00 0.00 C ATOM 1199 C THR A 77 1.695 2.008 -27.881 1.00 0.00 C ATOM 1200 O THR A 77 2.725 2.536 -28.299 1.00 0.00 O ATOM 1201 CB THR A 77 -0.151 2.384 -29.610 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.672 2.782 -30.702 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.366 3.675 -28.817 1.00 0.00 C ATOM 0 H THR A 77 -1.042 0.908 -27.785 1.00 0.00 H new ATOM 0 HA THR A 77 1.310 0.827 -29.577 1.00 0.00 H new ATOM 0 HB THR A 77 -1.117 1.940 -29.850 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.195 3.441 -31.248 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.978 4.363 -29.401 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.872 3.446 -27.879 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.598 4.137 -28.606 1.00 0.00 H new ATOM 1211 N PHE A 78 1.351 1.942 -26.603 1.00 0.00 N ATOM 1212 CA PHE A 78 2.200 2.509 -25.569 1.00 0.00 C ATOM 1213 C PHE A 78 2.978 1.416 -24.834 1.00 0.00 C ATOM 1214 O PHE A 78 3.838 1.710 -24.007 1.00 0.00 O ATOM 1215 CB PHE A 78 1.279 3.219 -24.574 1.00 0.00 C ATOM 1216 CG PHE A 78 0.705 4.540 -25.092 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.284 4.532 -26.027 1.00 0.00 C ATOM 1218 CD2 PHE A 78 1.182 5.722 -24.616 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -0.817 5.757 -26.506 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.648 6.947 -25.096 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.340 6.939 -26.030 1.00 0.00 C ATOM 0 H PHE A 78 0.496 1.504 -26.260 1.00 0.00 H new ATOM 0 HA PHE A 78 2.922 3.192 -26.016 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.456 2.553 -24.317 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.833 3.411 -23.655 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.663 3.594 -26.404 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.966 5.728 -23.874 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.601 5.751 -27.248 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.027 7.886 -24.719 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.746 7.871 -26.394 1.00 0.00 H new ATOM 1231 N ILE A 79 2.645 0.176 -25.165 1.00 0.00 N ATOM 1232 CA ILE A 79 3.301 -0.965 -24.546 1.00 0.00 C ATOM 1233 C ILE A 79 4.802 -0.901 -24.834 1.00 0.00 C ATOM 1234 O ILE A 79 5.214 -0.849 -25.992 1.00 0.00 O ATOM 1235 CB ILE A 79 2.642 -2.270 -24.996 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.451 -2.620 -24.103 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.665 -3.406 -25.058 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.227 -4.133 -24.055 1.00 0.00 C ATOM 0 H ILE A 79 1.931 -0.063 -25.853 1.00 0.00 H new ATOM 0 HA ILE A 79 3.182 -0.933 -23.463 1.00 0.00 H new ATOM 0 HB ILE A 79 2.256 -2.128 -26.005 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.624 -2.242 -23.095 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.554 -2.128 -24.478 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.172 -4.323 -25.380 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.452 -3.149 -25.767 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.101 -3.557 -24.071 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.374 -4.354 -23.413 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.030 -4.504 -25.061 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.117 -4.620 -23.657 1.00 0.00 H new ATOM 1250 N ILE A 80 5.578 -0.906 -23.761 1.00 0.00 N ATOM 1251 CA ILE A 80 7.026 -0.850 -23.884 1.00 0.00 C ATOM 1252 C ILE A 80 7.615 -2.226 -23.560 1.00 0.00 C ATOM 1253 O ILE A 80 8.654 -2.602 -24.099 1.00 0.00 O ATOM 1254 CB ILE A 80 7.594 0.280 -23.024 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.834 0.395 -21.699 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.606 1.602 -23.793 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.598 1.272 -20.704 1.00 0.00 C ATOM 0 H ILE A 80 5.233 -0.948 -22.802 1.00 0.00 H new ATOM 0 HA ILE A 80 7.312 -0.613 -24.909 1.00 0.00 H new ATOM 0 HB ILE A 80 8.629 0.038 -22.783 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.845 0.818 -21.878 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.684 -0.598 -21.274 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.015 2.388 -23.158 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.223 1.498 -24.685 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.589 1.863 -24.084 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.037 1.338 -19.772 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.577 0.833 -20.509 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.725 2.271 -21.122 1.00 0.00 H new ATOM 1269 N GLY A 81 6.924 -2.937 -22.680 1.00 0.00 N ATOM 1270 CA GLY A 81 7.365 -4.261 -22.277 1.00 0.00 C ATOM 1271 C GLY A 81 6.258 -5.004 -21.529 1.00 0.00 C ATOM 1272 O GLY A 81 5.075 -4.767 -21.767 1.00 0.00 O ATOM 0 H GLY A 81 6.062 -2.621 -22.235 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.661 -4.833 -23.156 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.246 -4.177 -21.640 1.00 0.00 H new ATOM 1276 N GLU A 82 6.682 -5.888 -20.636 1.00 0.00 N ATOM 1277 CA GLU A 82 5.740 -6.667 -19.850 1.00 0.00 C ATOM 1278 C GLU A 82 6.361 -7.049 -18.505 1.00 0.00 C ATOM 1279 O GLU A 82 7.577 -6.976 -18.335 1.00 0.00 O ATOM 1280 CB GLU A 82 5.283 -7.911 -20.616 1.00 0.00 C ATOM 1281 CG GLU A 82 5.338 -7.675 -22.126 1.00 0.00 C ATOM 1282 CD GLU A 82 5.023 -8.961 -22.893 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.546 -10.016 -22.472 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.267 -8.861 -23.883 1.00 0.00 O ATOM 0 H GLU A 82 7.664 -6.081 -20.440 1.00 0.00 H new ATOM 0 HA GLU A 82 4.859 -6.053 -19.661 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.917 -8.758 -20.353 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.266 -8.171 -20.322 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.625 -6.898 -22.403 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.328 -7.314 -22.406 1.00 0.00 H new ATOM 1291 N LEU A 83 5.496 -7.448 -17.583 1.00 0.00 N ATOM 1292 CA LEU A 83 5.944 -7.841 -16.257 1.00 0.00 C ATOM 1293 C LEU A 83 6.569 -9.236 -16.328 1.00 0.00 C ATOM 1294 O LEU A 83 5.906 -10.198 -16.714 1.00 0.00 O ATOM 1295 CB LEU A 83 4.799 -7.731 -15.250 1.00 0.00 C ATOM 1296 CG LEU A 83 5.173 -7.945 -13.783 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.675 -8.196 -13.630 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.697 -6.777 -12.918 1.00 0.00 C ATOM 0 H LEU A 83 4.488 -7.508 -17.728 1.00 0.00 H new ATOM 0 HA LEU A 83 6.718 -7.162 -15.899 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.348 -6.744 -15.349 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.034 -8.459 -15.519 1.00 0.00 H new ATOM 0 HG LEU A 83 4.659 -8.838 -13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.914 -8.345 -12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.955 -9.085 -14.195 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.228 -7.337 -14.009 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.976 -6.956 -11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.162 -5.854 -13.265 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.613 -6.688 -12.992 1.00 0.00 H new ATOM 1310 N HIS A 84 7.838 -9.301 -15.950 1.00 0.00 N ATOM 1311 CA HIS A 84 8.558 -10.562 -15.965 1.00 0.00 C ATOM 1312 C HIS A 84 7.957 -11.509 -14.926 1.00 0.00 C ATOM 1313 O HIS A 84 6.967 -11.178 -14.277 1.00 0.00 O ATOM 1314 CB HIS A 84 10.058 -10.333 -15.762 1.00 0.00 C ATOM 1315 CG HIS A 84 10.921 -10.894 -16.867 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.294 -11.016 -16.757 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.590 -11.368 -18.103 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.760 -11.539 -17.883 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.701 -11.755 -18.716 1.00 0.00 N ATOM 0 H HIS A 84 8.385 -8.501 -15.632 1.00 0.00 H new ATOM 0 HA HIS A 84 8.450 -11.035 -16.941 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.243 -9.262 -15.679 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.359 -10.783 -14.816 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.592 -11.419 -18.513 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.795 -11.756 -18.102 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.755 -12.149 -19.655 1.00 0.00 H new ATOM 1328 N PRO A 85 8.599 -12.702 -14.796 1.00 0.00 N ATOM 1329 CA PRO A 85 8.138 -13.701 -13.847 1.00 0.00 C ATOM 1330 C PRO A 85 8.508 -13.308 -12.415 1.00 0.00 C ATOM 1331 O PRO A 85 8.419 -14.124 -11.500 1.00 0.00 O ATOM 1332 CB PRO A 85 8.791 -14.999 -14.293 1.00 0.00 C ATOM 1333 CG PRO A 85 9.952 -14.596 -15.188 1.00 0.00 C ATOM 1334 CD PRO A 85 9.775 -13.130 -15.548 1.00 0.00 C ATOM 0 HA PRO A 85 7.053 -13.800 -13.835 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.140 -15.575 -13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.082 -15.628 -14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.901 -14.751 -14.675 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.972 -15.211 -16.088 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.654 -12.546 -15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.628 -13.001 -16.620 1.00 0.00 H new ATOM 1342 N ASP A 86 8.915 -12.055 -12.266 1.00 0.00 N ATOM 1343 CA ASP A 86 9.298 -11.543 -10.961 1.00 0.00 C ATOM 1344 C ASP A 86 8.040 -11.195 -10.164 1.00 0.00 C ATOM 1345 O ASP A 86 8.055 -11.208 -8.935 1.00 0.00 O ATOM 1346 CB ASP A 86 10.141 -10.274 -11.093 1.00 0.00 C ATOM 1347 CG ASP A 86 9.888 -9.215 -10.019 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.342 -9.445 -8.876 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.246 -8.199 -10.362 1.00 0.00 O ATOM 0 H ASP A 86 8.988 -11.380 -13.027 1.00 0.00 H new ATOM 0 HA ASP A 86 9.882 -12.312 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.195 -10.552 -11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.952 -9.831 -12.071 1.00 0.00 H new ATOM 1354 N ASP A 87 6.979 -10.892 -10.898 1.00 0.00 N ATOM 1355 CA ASP A 87 5.714 -10.541 -10.276 1.00 0.00 C ATOM 1356 C ASP A 87 4.598 -10.615 -11.320 1.00 0.00 C ATOM 1357 O ASP A 87 4.020 -9.594 -11.689 1.00 0.00 O ATOM 1358 CB ASP A 87 5.749 -9.115 -9.723 1.00 0.00 C ATOM 1359 CG ASP A 87 6.129 -9.004 -8.245 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.246 -9.298 -7.409 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.292 -8.628 -7.983 1.00 0.00 O ATOM 0 H ASP A 87 6.970 -10.882 -11.918 1.00 0.00 H new ATOM 0 HA ASP A 87 5.535 -11.241 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.458 -8.531 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.768 -8.662 -9.865 1.00 0.00 H new ATOM 1366 N ARG A 88 4.330 -11.833 -11.768 1.00 0.00 N ATOM 1367 CA ARG A 88 3.294 -12.053 -12.763 1.00 0.00 C ATOM 1368 C ARG A 88 1.931 -12.208 -12.085 1.00 0.00 C ATOM 1369 O ARG A 88 1.114 -11.288 -12.109 1.00 0.00 O ATOM 1370 CB ARG A 88 3.587 -13.304 -13.594 1.00 0.00 C ATOM 1371 CG ARG A 88 4.901 -13.156 -14.364 1.00 0.00 C ATOM 1372 CD ARG A 88 4.682 -12.418 -15.686 1.00 0.00 C ATOM 1373 NE ARG A 88 3.740 -13.177 -16.539 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.459 -12.863 -17.811 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.045 -11.802 -18.385 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.591 -13.608 -18.508 1.00 0.00 N ATOM 0 H ARG A 88 4.812 -12.677 -11.460 1.00 0.00 H new ATOM 0 HA ARG A 88 3.279 -11.186 -13.424 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.641 -14.175 -12.940 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.770 -13.480 -14.293 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.624 -12.613 -13.756 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.325 -14.141 -14.559 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.288 -11.420 -15.494 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.633 -12.291 -16.203 1.00 0.00 H new ATOM 0 HE ARG A 88 3.276 -13.990 -16.133 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.705 -11.234 -17.853 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.831 -11.563 -19.353 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.144 -14.414 -18.070 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.377 -13.369 -19.476 1.00 0.00 H new ATOM 1390 N SER A 89 1.728 -13.376 -11.495 1.00 0.00 N ATOM 1391 CA SER A 89 0.478 -13.663 -10.811 1.00 0.00 C ATOM 1392 C SER A 89 0.316 -12.734 -9.608 1.00 0.00 C ATOM 1393 O SER A 89 -0.733 -12.723 -8.965 1.00 0.00 O ATOM 1394 CB SER A 89 0.416 -15.125 -10.366 1.00 0.00 C ATOM 1395 OG SER A 89 -0.744 -15.787 -10.862 1.00 0.00 O ATOM 0 H SER A 89 2.408 -14.136 -11.476 1.00 0.00 H new ATOM 0 HA SER A 89 -0.341 -13.490 -11.509 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.307 -15.647 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.422 -15.173 -9.277 1.00 0.00 H new ATOM 0 HG SER A 89 -0.745 -16.718 -10.557 1.00 0.00 H new ATOM 1401 N LYS A 90 1.369 -11.975 -9.340 1.00 0.00 N ATOM 1402 CA LYS A 90 1.355 -11.044 -8.224 1.00 0.00 C ATOM 1403 C LYS A 90 0.540 -9.807 -8.608 1.00 0.00 C ATOM 1404 O LYS A 90 0.042 -9.093 -7.738 1.00 0.00 O ATOM 1405 CB LYS A 90 2.782 -10.726 -7.776 1.00 0.00 C ATOM 1406 CG LYS A 90 3.184 -11.585 -6.576 1.00 0.00 C ATOM 1407 CD LYS A 90 3.368 -10.726 -5.322 1.00 0.00 C ATOM 1408 CE LYS A 90 4.321 -11.400 -4.331 1.00 0.00 C ATOM 1409 NZ LYS A 90 5.522 -10.564 -4.117 1.00 0.00 N ATOM 0 H LYS A 90 2.237 -11.986 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 90 0.866 -11.492 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.473 -10.901 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.858 -9.671 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.421 -12.341 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.111 -12.114 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.760 -9.748 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.402 -10.559 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.811 -11.564 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.615 -12.379 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.158 -11.036 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.016 -10.429 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.238 -9.639 -3.736 1.00 0.00 H new ATOM 1423 N ILE A 91 0.428 -9.591 -9.909 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.317 -8.453 -10.418 1.00 0.00 C ATOM 1425 C ILE A 91 -1.403 -8.948 -11.376 1.00 0.00 C ATOM 1426 O ILE A 91 -2.471 -8.343 -11.475 1.00 0.00 O ATOM 1427 CB ILE A 91 0.631 -7.427 -11.042 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.772 -7.655 -12.548 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.986 -7.430 -10.333 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.597 -6.540 -13.196 1.00 0.00 C ATOM 0 H ILE A 91 0.841 -10.186 -10.627 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.821 -7.933 -9.604 1.00 0.00 H new ATOM 0 HB ILE A 91 0.198 -6.436 -10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.249 -8.618 -12.731 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.216 -7.696 -13.007 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.641 -6.692 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.847 -7.182 -9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.438 -8.418 -10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.682 -6.726 -14.267 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.105 -5.581 -13.032 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.592 -6.518 -12.751 1.00 0.00 H new ATOM 1442 N THR A 92 -1.095 -10.043 -12.056 1.00 0.00 N ATOM 1443 CA THR A 92 -2.032 -10.625 -13.002 1.00 0.00 C ATOM 1444 C THR A 92 -3.472 -10.398 -12.536 1.00 0.00 C ATOM 1445 O THR A 92 -4.305 -9.910 -13.296 1.00 0.00 O ATOM 1446 CB THR A 92 -1.672 -12.101 -13.174 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.182 -12.435 -14.462 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.453 -13.007 -12.219 1.00 0.00 C ATOM 0 H THR A 92 -0.210 -10.542 -11.971 1.00 0.00 H new ATOM 0 HA THR A 92 -1.962 -10.143 -13.977 1.00 0.00 H new ATOM 0 HB THR A 92 -0.603 -12.236 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.452 -12.425 -15.116 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.161 -14.045 -12.381 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.234 -12.725 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.521 -12.897 -12.406 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.718 -10.765 -11.286 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.043 -10.609 -10.708 1.00 0.00 C ATOM 1458 C LYS A 93 -4.908 -10.220 -9.234 1.00 0.00 C ATOM 1459 O LYS A 93 -3.835 -10.350 -8.650 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.880 -11.869 -10.939 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.893 -11.656 -12.065 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.703 -12.929 -12.322 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.979 -12.947 -11.478 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.115 -13.473 -12.267 1.00 0.00 N ATOM 0 H LYS A 93 -3.023 -11.169 -10.658 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.583 -9.802 -11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.225 -12.704 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.403 -12.136 -10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.566 -10.839 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.373 -11.362 -12.976 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.961 -12.993 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.096 -13.804 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.827 -13.564 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.206 -11.939 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.973 -13.478 -11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.269 -12.868 -13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.902 -14.442 -12.578 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.044 -9.740 -8.662 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.064 -9.331 -7.267 1.00 0.00 C ATOM 1480 C PRO A 94 -6.070 -10.547 -6.340 1.00 0.00 C ATOM 1481 O PRO A 94 -5.061 -10.855 -5.707 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.310 -8.470 -7.128 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.186 -8.808 -8.323 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.335 -9.572 -9.324 1.00 0.00 C ATOM 0 HA PRO A 94 -5.175 -8.770 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.828 -8.681 -6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.054 -7.411 -7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.041 -9.409 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.583 -7.899 -8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.782 -10.535 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.232 -9.020 -10.258 1.00 0.00 H new ATOM 1492 N SER A 95 -7.219 -11.206 -6.288 1.00 0.00 N ATOM 1493 CA SER A 95 -7.370 -12.383 -5.449 1.00 0.00 C ATOM 1494 C SER A 95 -7.579 -11.961 -3.992 1.00 0.00 C ATOM 1495 O SER A 95 -6.685 -11.386 -3.374 1.00 0.00 O ATOM 1496 CB SER A 95 -6.153 -13.303 -5.566 1.00 0.00 C ATOM 1497 OG SER A 95 -6.521 -14.679 -5.543 1.00 0.00 O ATOM 0 H SER A 95 -8.054 -10.947 -6.813 1.00 0.00 H new ATOM 0 HA SER A 95 -8.244 -12.938 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.621 -13.085 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.463 -13.098 -4.747 1.00 0.00 H new ATOM 0 HG SER A 95 -5.717 -15.234 -5.622 1.00 0.00 H new ATOM 1503 N GLU A 96 -8.765 -12.267 -3.486 1.00 0.00 N ATOM 1504 CA GLU A 96 -9.103 -11.929 -2.114 1.00 0.00 C ATOM 1505 C GLU A 96 -10.418 -12.598 -1.711 1.00 0.00 C ATOM 1506 O GLU A 96 -10.422 -13.542 -0.924 1.00 0.00 O ATOM 1507 CB GLU A 96 -9.180 -10.413 -1.926 1.00 0.00 C ATOM 1508 CG GLU A 96 -8.390 -9.972 -0.692 1.00 0.00 C ATOM 1509 CD GLU A 96 -7.324 -8.939 -1.062 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -6.222 -9.377 -1.453 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -7.637 -7.734 -0.945 1.00 0.00 O ATOM 0 H GLU A 96 -9.504 -12.745 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.313 -12.303 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.787 -9.913 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.221 -10.108 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.070 -9.549 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.917 -10.839 -0.230 1.00 0.00 H new ATOM 1518 N SER A 97 -11.503 -12.082 -2.269 1.00 0.00 N ATOM 1519 CA SER A 97 -12.822 -12.618 -1.979 1.00 0.00 C ATOM 1520 C SER A 97 -13.334 -12.052 -0.652 1.00 0.00 C ATOM 1521 O SER A 97 -12.561 -11.859 0.285 1.00 0.00 O ATOM 1522 CB SER A 97 -12.797 -14.147 -1.929 1.00 0.00 C ATOM 1523 OG SER A 97 -13.950 -14.719 -2.540 1.00 0.00 O ATOM 0 H SER A 97 -11.496 -11.298 -2.921 1.00 0.00 H new ATOM 0 HA SER A 97 -13.497 -12.319 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.901 -14.512 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.736 -14.475 -0.891 1.00 0.00 H new ATOM 0 HG SER A 97 -13.896 -15.696 -2.490 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.636 -11.803 -0.615 1.00 0.00 N ATOM 1530 CA ILE A 98 -15.261 -11.265 0.581 1.00 0.00 C ATOM 1531 C ILE A 98 -16.782 -11.317 0.425 1.00 0.00 C ATOM 1532 O ILE A 98 -17.307 -11.049 -0.654 1.00 0.00 O ATOM 1533 CB ILE A 98 -14.722 -9.865 0.883 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -14.567 -9.651 2.390 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.597 -8.789 0.239 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -13.355 -10.413 2.931 1.00 0.00 C ATOM 0 H ILE A 98 -15.274 -11.964 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.008 -11.874 1.449 1.00 0.00 H new ATOM 0 HB ILE A 98 -13.729 -9.779 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.456 -8.587 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -15.469 -9.984 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.191 -7.804 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.612 -8.931 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.612 -8.864 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -13.268 -10.244 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.481 -11.479 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.452 -10.060 2.434 1.00 0.00 H new ATOM 1548 N ILE A 99 -17.445 -11.664 1.517 1.00 0.00 N ATOM 1549 CA ILE A 99 -18.895 -11.755 1.513 1.00 0.00 C ATOM 1550 C ILE A 99 -19.488 -10.395 1.888 1.00 0.00 C ATOM 1551 O ILE A 99 -18.755 -9.460 2.202 1.00 0.00 O ATOM 1552 CB ILE A 99 -19.362 -12.898 2.418 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -20.783 -13.338 2.055 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -19.240 -12.516 3.895 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -20.957 -14.846 2.254 1.00 0.00 C ATOM 0 H ILE A 99 -17.006 -11.886 2.410 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.258 -11.999 0.515 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.707 -13.753 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -21.503 -12.800 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.995 -13.077 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.579 -13.346 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.199 -12.290 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.855 -11.639 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -21.975 -15.133 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.252 -15.381 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.768 -15.100 3.297 1.00 0.00 H new ATOM 1567 N THR A 100 -20.811 -10.329 1.841 1.00 0.00 N ATOM 1568 CA THR A 100 -21.510 -9.099 2.170 1.00 0.00 C ATOM 1569 C THR A 100 -21.440 -8.832 3.675 1.00 0.00 C ATOM 1570 O THR A 100 -21.317 -9.763 4.470 1.00 0.00 O ATOM 1571 CB THR A 100 -22.941 -9.211 1.639 1.00 0.00 C ATOM 1572 OG1 THR A 100 -23.476 -7.900 1.801 1.00 0.00 O ATOM 1573 CG2 THR A 100 -23.827 -10.088 2.526 1.00 0.00 C ATOM 0 H THR A 100 -21.416 -11.107 1.580 1.00 0.00 H new ATOM 0 HA THR A 100 -21.039 -8.238 1.696 1.00 0.00 H new ATOM 0 HB THR A 100 -22.922 -9.619 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 100 -24.402 -7.882 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 100 -24.831 -10.134 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.409 -11.093 2.578 1.00 0.00 H new ATOM 0 HG23 THR A 100 -23.873 -9.662 3.528 1.00 0.00 H new ATOM 1581 N THR A 101 -21.524 -7.556 4.023 1.00 0.00 N ATOM 1582 CA THR A 101 -21.472 -7.156 5.418 1.00 0.00 C ATOM 1583 C THR A 101 -22.395 -5.961 5.665 1.00 0.00 C ATOM 1584 O THR A 101 -22.877 -5.339 4.719 1.00 0.00 O ATOM 1585 CB THR A 101 -20.009 -6.878 5.776 1.00 0.00 C ATOM 1586 OG1 THR A 101 -20.049 -6.535 7.159 1.00 0.00 O ATOM 1587 CG2 THR A 101 -19.469 -5.618 5.097 1.00 0.00 C ATOM 0 H THR A 101 -21.628 -6.786 3.362 1.00 0.00 H new ATOM 0 HA THR A 101 -21.837 -7.949 6.071 1.00 0.00 H new ATOM 0 HB THR A 101 -19.397 -7.734 5.492 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.142 -6.341 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.428 -5.467 5.385 1.00 0.00 H new ATOM 0 HG22 THR A 101 -19.534 -5.732 4.015 1.00 0.00 H new ATOM 0 HG23 THR A 101 -20.060 -4.756 5.407 1.00 0.00 H new ATOM 1595 N ILE A 102 -22.612 -5.676 6.940 1.00 0.00 N ATOM 1596 CA ILE A 102 -23.470 -4.566 7.323 1.00 0.00 C ATOM 1597 C ILE A 102 -22.635 -3.512 8.053 1.00 0.00 C ATOM 1598 O ILE A 102 -21.875 -3.838 8.964 1.00 0.00 O ATOM 1599 CB ILE A 102 -24.668 -5.069 8.130 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -25.911 -4.221 7.851 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -24.338 -5.129 9.622 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -26.720 -4.800 6.688 1.00 0.00 C ATOM 0 H ILE A 102 -22.209 -6.194 7.721 1.00 0.00 H new ATOM 0 HA ILE A 102 -23.890 -4.085 6.439 1.00 0.00 H new ATOM 0 HB ILE A 102 -24.893 -6.086 7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -26.533 -4.176 8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -25.613 -3.199 7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -25.207 -5.490 10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -23.500 -5.807 9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -24.072 -4.133 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -27.598 -4.179 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -26.103 -4.821 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -27.037 -5.814 6.934 1.00 0.00 H new ATOM 1614 N ASP A 103 -22.806 -2.269 7.627 1.00 0.00 N ATOM 1615 CA ASP A 103 -22.078 -1.165 8.228 1.00 0.00 C ATOM 1616 C ASP A 103 -22.923 -0.553 9.348 1.00 0.00 C ATOM 1617 O ASP A 103 -24.084 -0.918 9.525 1.00 0.00 O ATOM 1618 CB ASP A 103 -21.791 -0.068 7.200 1.00 0.00 C ATOM 1619 CG ASP A 103 -20.381 0.523 7.262 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -19.458 -0.161 6.770 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -20.260 1.644 7.800 1.00 0.00 O ATOM 0 H ASP A 103 -23.438 -2.002 6.872 1.00 0.00 H new ATOM 0 HA ASP A 103 -21.135 -1.553 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -21.955 -0.474 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -22.513 0.737 7.339 1.00 0.00 H new