USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 710 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 50 ASN : amide:sc= 0.00707 K(o=0.016,f=-0.96) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.00904 USER MOD Set 2.1: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.00685 USER MOD Set 3.1: A 68 HIS : no HD1:sc= -0.657 K(o=0.016,f=-11!) USER MOD Set 3.2: A 88 TYR OH : rot -39:sc= 0.673 USER MOD Set 4.1: A 76 ASN : amide:sc= 1.22 K(o=2.4,f=1.6) USER MOD Set 4.2: A 80 SER OG : rot 180:sc= 0.755 USER MOD Set 4.3: A 82 THR OG1 : rot 106:sc= 0.395 USER MOD Set 5.1: A 51 HIS : no HE2:sc= -0.095 X(o=-0.057,f=-0.45) USER MOD Set 5.2: A 109 ASN : amide:sc= 0.0381 X(o=-0.057,f=0.33) USER MOD Set 6.1: A 36 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Set 6.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 19 TYR OH : rot 30:sc= 0 USER MOD Set 7.2: A 84 SER OG : rot -132:sc= 0.0369 USER MOD Set 8.1: A 15 GLN : amide:sc= -0.375 K(o=-5.4,f=-4.7) USER MOD Set 8.2: A 87 ASN : amide:sc= -5.01! C(o=-5.4!,f=-9.4!) USER MOD Set 9.1: A 11 TYR OH : rot 53:sc= 0.194 USER MOD Set 9.2: A 16 CYS SG : rot -140:sc= -0.888 USER MOD Set 9.3: A 17 THR OG1 : rot 99:sc= 1.57 USER MOD Set 9.4: A 34 ASN : amide:sc= 0.193 K(o=1.1,f=0.36) USER MOD Single : A 9 ASN : amide:sc= -5.14! C(o=-5.1!,f=-16!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 0.785 (180deg=0.152) USER MOD Single : A 30 SER OG : rot -63:sc= 1.19 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00969 USER MOD Single : A 37 ASN : amide:sc= -2.03! K(o=-2!,f=-0.98) USER MOD Single : A 43 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -16:sc= 0.761 USER MOD Single : A 54 SER OG : rot 180:sc= -0.151 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0461 (180deg=-0.28) USER MOD Single : A 60 GLN : amide:sc= 0.038 K(o=0.038,f=-6.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 77 SER OG : rot -33:sc= 0.175 USER MOD Single : A 86 MET CE :methyl 135:sc= -0.247 (180deg=-1.54) USER MOD Single : A 89 SER OG : rot 111:sc= 1.65 USER MOD Single : A 94 SER OG : rot -160:sc= -0.0388 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -14.332 1.326 3.891 1.00 0.00 N ATOM 99 CA ASN A 9 -13.566 2.123 2.942 1.00 0.00 C ATOM 100 C ASN A 9 -14.477 2.634 1.828 1.00 0.00 C ATOM 101 O ASN A 9 -15.419 1.955 1.423 1.00 0.00 O ATOM 102 CB ASN A 9 -12.433 1.266 2.354 1.00 0.00 C ATOM 103 CG ASN A 9 -11.414 2.047 1.529 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.687 3.119 0.997 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.220 1.496 1.396 1.00 0.00 N ATOM 0 HA ASN A 9 -13.136 2.982 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.913 0.764 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.870 0.488 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.502 1.962 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.017 0.604 1.848 1.00 0.00 H new ATOM 112 N LEU A 10 -14.189 3.834 1.349 1.00 0.00 N ATOM 113 CA LEU A 10 -14.940 4.442 0.257 1.00 0.00 C ATOM 114 C LEU A 10 -14.671 3.710 -1.056 1.00 0.00 C ATOM 115 O LEU A 10 -15.474 3.763 -1.988 1.00 0.00 O ATOM 116 CB LEU A 10 -14.523 5.904 0.097 1.00 0.00 C ATOM 117 CG LEU A 10 -14.556 6.750 1.373 1.00 0.00 C ATOM 118 CD1 LEU A 10 -14.116 8.175 1.080 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.947 6.738 1.990 1.00 0.00 C ATOM 0 H LEU A 10 -13.430 4.415 1.704 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.002 4.376 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.512 5.931 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.175 6.369 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.860 6.314 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.146 8.761 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.099 8.168 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.787 8.619 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.949 7.345 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.664 7.146 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.226 5.714 2.239 1.00 0.00 H new ATOM 131 N TYR A 11 -13.534 3.027 -1.109 1.00 0.00 N ATOM 132 CA TYR A 11 -13.074 2.363 -2.322 1.00 0.00 C ATOM 133 C TYR A 11 -13.972 1.187 -2.711 1.00 0.00 C ATOM 134 O TYR A 11 -14.988 0.922 -2.069 1.00 0.00 O ATOM 135 CB TYR A 11 -11.637 1.881 -2.139 1.00 0.00 C ATOM 136 CG TYR A 11 -10.682 2.384 -3.197 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.510 1.698 -4.394 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.946 3.542 -2.990 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.629 2.153 -5.354 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.060 4.002 -3.943 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.906 3.307 -5.124 1.00 0.00 C ATOM 142 OH TYR A 11 -8.008 3.754 -6.065 1.00 0.00 O ATOM 0 H TYR A 11 -12.906 2.918 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.119 3.092 -3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.279 2.200 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.627 0.791 -2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.074 0.795 -4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.068 4.092 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.506 1.610 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.490 4.902 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.452 3.818 -6.936 1.00 0.00 H new ATOM 152 N THR A 12 -13.561 0.485 -3.761 1.00 0.00 N ATOM 153 CA THR A 12 -14.346 -0.586 -4.362 1.00 0.00 C ATOM 154 C THR A 12 -14.515 -1.781 -3.418 1.00 0.00 C ATOM 155 O THR A 12 -15.463 -1.835 -2.632 1.00 0.00 O ATOM 156 CB THR A 12 -13.672 -1.051 -5.666 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.284 0.094 -6.436 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.594 -1.935 -6.493 1.00 0.00 C ATOM 0 H THR A 12 -12.666 0.645 -4.223 1.00 0.00 H new ATOM 0 HA THR A 12 -15.339 -0.188 -4.570 1.00 0.00 H new ATOM 0 HB THR A 12 -12.795 -1.641 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.853 -0.200 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.082 -2.242 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.867 -2.818 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.495 -1.379 -6.753 1.00 0.00 H new ATOM 166 N ALA A 13 -13.582 -2.730 -3.499 1.00 0.00 N ATOM 167 CA ALA A 13 -13.634 -3.950 -2.706 1.00 0.00 C ATOM 168 C ALA A 13 -12.406 -4.802 -2.979 1.00 0.00 C ATOM 169 O ALA A 13 -12.107 -5.113 -4.131 1.00 0.00 O ATOM 170 CB ALA A 13 -14.891 -4.751 -3.018 1.00 0.00 C ATOM 0 H ALA A 13 -12.772 -2.671 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.655 -3.668 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.905 -5.657 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.771 -4.150 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.898 -5.021 -4.074 1.00 0.00 H new ATOM 176 N GLY A 14 -11.679 -5.141 -1.923 1.00 0.00 N ATOM 177 CA GLY A 14 -10.533 -6.028 -2.044 1.00 0.00 C ATOM 178 C GLY A 14 -9.339 -5.395 -2.733 1.00 0.00 C ATOM 179 O GLY A 14 -8.277 -5.998 -2.790 1.00 0.00 O ATOM 0 H GLY A 14 -11.863 -4.815 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.234 -6.358 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.831 -6.918 -2.598 1.00 0.00 H new ATOM 183 N GLN A 15 -9.506 -4.177 -3.237 1.00 0.00 N ATOM 184 CA GLN A 15 -8.470 -3.513 -4.033 1.00 0.00 C ATOM 185 C GLN A 15 -7.216 -3.253 -3.210 1.00 0.00 C ATOM 186 O GLN A 15 -7.270 -3.218 -1.983 1.00 0.00 O ATOM 187 CB GLN A 15 -9.006 -2.189 -4.580 1.00 0.00 C ATOM 188 CG GLN A 15 -10.160 -2.357 -5.549 1.00 0.00 C ATOM 189 CD GLN A 15 -9.709 -2.671 -6.961 1.00 0.00 C ATOM 190 OE1 GLN A 15 -9.552 -1.772 -7.783 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.453 -3.937 -7.246 1.00 0.00 N ATOM 0 H GLN A 15 -10.353 -3.623 -3.109 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.205 -4.175 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.330 -1.565 -3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.196 -1.658 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.810 -3.157 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.755 -1.444 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.595 -4.658 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.114 -4.192 -8.173 1.00 0.00 H new ATOM 200 N CYS A 16 -6.093 -3.053 -3.893 1.00 0.00 N ATOM 201 CA CYS A 16 -4.833 -2.755 -3.223 1.00 0.00 C ATOM 202 C CYS A 16 -4.974 -1.495 -2.376 1.00 0.00 C ATOM 203 O CYS A 16 -4.665 -1.496 -1.190 1.00 0.00 O ATOM 204 CB CYS A 16 -3.714 -2.585 -4.250 1.00 0.00 C ATOM 205 SG CYS A 16 -4.106 -1.419 -5.572 1.00 0.00 S ATOM 0 H CYS A 16 -6.030 -3.092 -4.910 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.578 -3.588 -2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.812 -2.249 -3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.488 -3.556 -4.690 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.659 -1.879 -6.703 1.00 0.00 H new ATOM 211 N THR A 17 -5.507 -0.442 -2.982 1.00 0.00 N ATOM 212 CA THR A 17 -5.676 0.834 -2.299 1.00 0.00 C ATOM 213 C THR A 17 -6.913 0.811 -1.394 1.00 0.00 C ATOM 214 O THR A 17 -7.222 1.783 -0.704 1.00 0.00 O ATOM 215 CB THR A 17 -5.781 1.977 -3.324 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.679 1.592 -4.372 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.423 2.300 -3.921 1.00 0.00 C ATOM 0 H THR A 17 -5.831 -0.447 -3.949 1.00 0.00 H new ATOM 0 HA THR A 17 -4.801 1.004 -1.672 1.00 0.00 H new ATOM 0 HB THR A 17 -6.155 2.865 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.560 1.989 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.526 3.111 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.740 2.604 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.027 1.417 -4.422 1.00 0.00 H new ATOM 225 N TRP A 18 -7.611 -0.319 -1.404 1.00 0.00 N ATOM 226 CA TRP A 18 -8.753 -0.541 -0.530 1.00 0.00 C ATOM 227 C TRP A 18 -8.291 -1.255 0.737 1.00 0.00 C ATOM 228 O TRP A 18 -8.586 -0.823 1.853 1.00 0.00 O ATOM 229 CB TRP A 18 -9.809 -1.373 -1.269 1.00 0.00 C ATOM 230 CG TRP A 18 -11.041 -1.687 -0.471 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.205 -0.973 -0.440 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.239 -2.810 0.398 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.110 -1.590 0.386 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.541 -2.712 0.916 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.442 -3.889 0.790 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.064 -3.648 1.802 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.962 -4.816 1.671 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.263 -4.691 2.168 1.00 0.00 C ATOM 0 H TRP A 18 -7.400 -1.105 -2.018 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.197 0.414 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.105 -0.838 -2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.353 -2.310 -1.589 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.386 -0.058 -0.985 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.057 -1.262 0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.437 -3.996 0.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.069 -3.553 2.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.353 -5.652 1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.641 -5.434 2.855 1.00 0.00 H new ATOM 249 N TYR A 19 -7.547 -2.339 0.547 1.00 0.00 N ATOM 250 CA TYR A 19 -7.029 -3.134 1.654 1.00 0.00 C ATOM 251 C TYR A 19 -6.033 -2.324 2.472 1.00 0.00 C ATOM 252 O TYR A 19 -6.058 -2.352 3.701 1.00 0.00 O ATOM 253 CB TYR A 19 -6.374 -4.407 1.113 1.00 0.00 C ATOM 254 CG TYR A 19 -5.815 -5.329 2.175 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.636 -5.890 3.147 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.465 -5.656 2.190 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.124 -6.749 4.102 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.948 -6.511 3.143 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.781 -7.054 4.096 1.00 0.00 C ATOM 260 OH TYR A 19 -4.268 -7.914 5.038 1.00 0.00 O ATOM 0 H TYR A 19 -7.287 -2.690 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.855 -3.413 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.109 -4.956 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.569 -4.125 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.689 -5.651 3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.808 -5.234 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.774 -7.179 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.895 -6.753 3.141 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.957 -8.559 5.302 1.00 0.00 H new ATOM 270 N VAL A 20 -5.163 -1.601 1.776 1.00 0.00 N ATOM 271 CA VAL A 20 -4.208 -0.706 2.420 1.00 0.00 C ATOM 272 C VAL A 20 -4.912 0.262 3.372 1.00 0.00 C ATOM 273 O VAL A 20 -4.549 0.371 4.544 1.00 0.00 O ATOM 274 CB VAL A 20 -3.402 0.096 1.372 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.669 1.253 2.022 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.421 -0.812 0.645 1.00 0.00 C ATOM 0 H VAL A 20 -5.099 -1.618 0.758 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.521 -1.328 2.994 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.104 0.503 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.110 1.801 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.389 1.920 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.980 0.870 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.862 -0.231 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.729 -1.250 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.968 -1.607 0.138 1.00 0.00 H new ATOM 286 N TYR A 21 -5.939 0.935 2.868 1.00 0.00 N ATOM 287 CA TYR A 21 -6.653 1.943 3.641 1.00 0.00 C ATOM 288 C TYR A 21 -7.415 1.300 4.799 1.00 0.00 C ATOM 289 O TYR A 21 -7.595 1.908 5.854 1.00 0.00 O ATOM 290 CB TYR A 21 -7.613 2.708 2.734 1.00 0.00 C ATOM 291 CG TYR A 21 -8.224 3.926 3.379 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.465 5.059 3.608 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.561 3.944 3.749 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.016 6.182 4.188 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.123 5.063 4.329 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.345 6.180 4.548 1.00 0.00 C ATOM 297 OH TYR A 21 -9.897 7.302 5.120 1.00 0.00 O ATOM 0 H TYR A 21 -6.297 0.800 1.923 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.926 2.640 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.080 3.015 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.412 2.037 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.422 5.064 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.171 3.069 3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.408 7.058 4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.166 5.064 4.610 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.844 7.138 5.314 1.00 0.00 H new ATOM 307 N ASP A 22 -7.859 0.067 4.590 1.00 0.00 N ATOM 308 CA ASP A 22 -8.555 -0.691 5.624 1.00 0.00 C ATOM 309 C ASP A 22 -7.600 -1.034 6.765 1.00 0.00 C ATOM 310 O ASP A 22 -7.923 -0.848 7.940 1.00 0.00 O ATOM 311 CB ASP A 22 -9.141 -1.973 5.024 1.00 0.00 C ATOM 312 CG ASP A 22 -9.883 -2.826 6.036 1.00 0.00 C ATOM 313 OD1 ASP A 22 -9.225 -3.528 6.831 1.00 0.00 O ATOM 314 OD2 ASP A 22 -11.135 -2.816 6.024 1.00 0.00 O ATOM 0 H ASP A 22 -7.749 -0.433 3.708 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.366 -0.081 6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.821 -1.709 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.335 -2.561 4.585 1.00 0.00 H new ATOM 319 N LYS A 23 -6.415 -1.508 6.402 1.00 0.00 N ATOM 320 CA LYS A 23 -5.413 -1.943 7.372 1.00 0.00 C ATOM 321 C LYS A 23 -4.869 -0.776 8.194 1.00 0.00 C ATOM 322 O LYS A 23 -4.520 -0.945 9.364 1.00 0.00 O ATOM 323 CB LYS A 23 -4.270 -2.662 6.655 1.00 0.00 C ATOM 324 CG LYS A 23 -4.680 -3.992 6.047 1.00 0.00 C ATOM 325 CD LYS A 23 -4.841 -5.071 7.108 1.00 0.00 C ATOM 326 CE LYS A 23 -3.491 -5.534 7.632 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.620 -6.596 8.663 1.00 0.00 N ATOM 0 H LYS A 23 -6.120 -1.602 5.430 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.899 -2.631 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.881 -2.016 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.456 -2.829 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.619 -3.871 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.931 -4.306 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.442 -4.687 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.381 -5.919 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.890 -5.907 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.957 -4.683 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.829 -7.266 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.602 -6.165 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.519 -7.102 8.530 1.00 0.00 H new ATOM 341 N VAL A 24 -4.796 0.406 7.593 1.00 0.00 N ATOM 342 CA VAL A 24 -4.327 1.587 8.314 1.00 0.00 C ATOM 343 C VAL A 24 -5.460 2.213 9.128 1.00 0.00 C ATOM 344 O VAL A 24 -5.256 3.187 9.850 1.00 0.00 O ATOM 345 CB VAL A 24 -3.715 2.649 7.374 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.504 2.087 6.649 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.741 3.164 6.381 1.00 0.00 C ATOM 0 H VAL A 24 -5.052 0.573 6.620 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.540 1.246 8.987 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.393 3.491 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.087 2.850 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.752 1.785 7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.803 1.222 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.279 3.910 5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.109 2.336 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.573 3.617 6.920 1.00 0.00 H new ATOM 357 N GLY A 25 -6.658 1.653 8.986 1.00 0.00 N ATOM 358 CA GLY A 25 -7.794 2.079 9.787 1.00 0.00 C ATOM 359 C GLY A 25 -8.323 3.442 9.393 1.00 0.00 C ATOM 360 O GLY A 25 -9.066 4.069 10.148 1.00 0.00 O ATOM 0 H GLY A 25 -6.864 0.905 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.594 1.344 9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.503 2.099 10.837 1.00 0.00 H new ATOM 364 N GLY A 26 -7.948 3.904 8.207 1.00 0.00 N ATOM 365 CA GLY A 26 -8.374 5.214 7.758 1.00 0.00 C ATOM 366 C GLY A 26 -7.523 6.331 8.330 1.00 0.00 C ATOM 367 O GLY A 26 -7.826 7.508 8.138 1.00 0.00 O ATOM 0 H GLY A 26 -7.357 3.395 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.333 5.252 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.414 5.372 8.044 1.00 0.00 H new ATOM 371 N GLU A 27 -6.461 5.963 9.042 1.00 0.00 N ATOM 372 CA GLU A 27 -5.528 6.941 9.596 1.00 0.00 C ATOM 373 C GLU A 27 -4.865 7.723 8.468 1.00 0.00 C ATOM 374 O GLU A 27 -4.632 8.927 8.570 1.00 0.00 O ATOM 375 CB GLU A 27 -4.462 6.237 10.441 1.00 0.00 C ATOM 376 CG GLU A 27 -3.528 7.186 11.181 1.00 0.00 C ATOM 377 CD GLU A 27 -4.235 7.971 12.265 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.797 9.044 11.961 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.239 7.517 13.428 1.00 0.00 O ATOM 0 H GLU A 27 -6.225 4.993 9.249 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.080 7.632 10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.957 5.592 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.868 5.592 9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.712 6.615 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.081 7.879 10.468 1.00 0.00 H new ATOM 386 N ILE A 28 -4.573 7.017 7.388 1.00 0.00 N ATOM 387 CA ILE A 28 -3.934 7.610 6.229 1.00 0.00 C ATOM 388 C ILE A 28 -4.602 7.130 4.949 1.00 0.00 C ATOM 389 O ILE A 28 -4.954 5.958 4.835 1.00 0.00 O ATOM 390 CB ILE A 28 -2.403 7.297 6.194 1.00 0.00 C ATOM 391 CG1 ILE A 28 -1.934 6.879 4.784 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.038 6.228 7.219 1.00 0.00 C ATOM 393 CD1 ILE A 28 -1.964 5.380 4.524 1.00 0.00 C ATOM 0 H ILE A 28 -4.772 6.021 7.292 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.051 8.691 6.304 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.882 8.218 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.563 7.375 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.917 7.240 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.967 6.030 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.300 6.577 8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.586 5.312 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.618 5.180 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.312 4.874 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.983 5.011 4.640 1.00 0.00 H new ATOM 405 N GLY A 29 -4.809 8.039 4.006 1.00 0.00 N ATOM 406 CA GLY A 29 -5.204 7.625 2.680 1.00 0.00 C ATOM 407 C GLY A 29 -6.449 8.304 2.160 1.00 0.00 C ATOM 408 O GLY A 29 -6.748 9.433 2.539 1.00 0.00 O ATOM 0 H GLY A 29 -4.711 9.046 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.383 7.822 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.367 6.547 2.682 1.00 0.00 H new ATOM 412 N SER A 30 -7.146 7.589 1.267 1.00 0.00 N ATOM 413 CA SER A 30 -8.393 8.025 0.618 1.00 0.00 C ATOM 414 C SER A 30 -8.151 9.142 -0.403 1.00 0.00 C ATOM 415 O SER A 30 -8.668 9.093 -1.519 1.00 0.00 O ATOM 416 CB SER A 30 -9.475 8.433 1.640 1.00 0.00 C ATOM 417 OG SER A 30 -9.239 9.717 2.196 1.00 0.00 O ATOM 0 H SER A 30 -6.849 6.661 0.966 1.00 0.00 H new ATOM 0 HA SER A 30 -8.771 7.159 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.451 8.424 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.511 7.695 2.441 1.00 0.00 H new ATOM 0 HG SER A 30 -8.395 9.708 2.693 1.00 0.00 H new ATOM 423 N THR A 31 -7.348 10.127 -0.036 1.00 0.00 N ATOM 424 CA THR A 31 -7.091 11.267 -0.898 1.00 0.00 C ATOM 425 C THR A 31 -5.817 11.079 -1.724 1.00 0.00 C ATOM 426 O THR A 31 -5.347 12.016 -2.370 1.00 0.00 O ATOM 427 CB THR A 31 -6.986 12.556 -0.061 1.00 0.00 C ATOM 428 OG1 THR A 31 -6.134 12.340 1.072 1.00 0.00 O ATOM 429 CG2 THR A 31 -8.359 13.006 0.414 1.00 0.00 C ATOM 0 H THR A 31 -6.860 10.159 0.859 1.00 0.00 H new ATOM 0 HA THR A 31 -7.929 11.349 -1.590 1.00 0.00 H new ATOM 0 HB THR A 31 -6.561 13.336 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.072 13.165 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.259 13.918 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.997 13.199 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.806 12.224 1.028 1.00 0.00 H new ATOM 437 N TRP A 32 -5.278 9.861 -1.722 1.00 0.00 N ATOM 438 CA TRP A 32 -4.036 9.572 -2.440 1.00 0.00 C ATOM 439 C TRP A 32 -4.294 9.211 -3.908 1.00 0.00 C ATOM 440 O TRP A 32 -3.356 9.043 -4.689 1.00 0.00 O ATOM 441 CB TRP A 32 -3.259 8.446 -1.750 1.00 0.00 C ATOM 442 CG TRP A 32 -4.024 7.167 -1.650 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.860 6.646 -2.584 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.007 6.240 -0.567 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.383 5.469 -2.153 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.875 5.187 -0.913 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.346 6.200 0.659 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.103 4.103 -0.074 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.571 5.120 1.497 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.443 4.085 1.126 1.00 0.00 C ATOM 0 H TRP A 32 -5.679 9.061 -1.233 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.436 10.482 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.334 8.265 -2.298 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.977 8.771 -0.748 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.079 7.104 -3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.046 4.890 -2.669 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.673 6.993 0.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.774 3.306 -0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.067 5.074 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.597 3.256 1.801 1.00 0.00 H new ATOM 461 N GLY A 33 -5.559 9.081 -4.281 1.00 0.00 N ATOM 462 CA GLY A 33 -5.873 8.702 -5.641 1.00 0.00 C ATOM 463 C GLY A 33 -5.792 7.209 -5.848 1.00 0.00 C ATOM 464 O GLY A 33 -6.435 6.440 -5.135 1.00 0.00 O ATOM 0 H GLY A 33 -6.365 9.229 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.876 9.048 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.185 9.200 -6.324 1.00 0.00 H new ATOM 468 N ASN A 34 -4.996 6.801 -6.828 1.00 0.00 N ATOM 469 CA ASN A 34 -4.711 5.392 -7.030 1.00 0.00 C ATOM 470 C ASN A 34 -3.253 5.139 -6.701 1.00 0.00 C ATOM 471 O ASN A 34 -2.523 6.071 -6.367 1.00 0.00 O ATOM 472 CB ASN A 34 -5.005 4.935 -8.465 1.00 0.00 C ATOM 473 CG ASN A 34 -6.411 5.264 -8.933 1.00 0.00 C ATOM 474 OD1 ASN A 34 -7.361 4.533 -8.655 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.548 6.345 -9.686 1.00 0.00 N ATOM 0 H ASN A 34 -4.539 7.426 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.363 4.817 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.288 5.402 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.851 3.858 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.465 6.595 -10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.737 6.927 -9.895 1.00 0.00 H new ATOM 482 N ALA A 35 -2.827 3.892 -6.827 1.00 0.00 N ATOM 483 CA ALA A 35 -1.487 3.489 -6.420 1.00 0.00 C ATOM 484 C ALA A 35 -0.394 4.302 -7.120 1.00 0.00 C ATOM 485 O ALA A 35 0.527 4.787 -6.479 1.00 0.00 O ATOM 486 CB ALA A 35 -1.301 2.003 -6.674 1.00 0.00 C ATOM 0 H ALA A 35 -3.393 3.135 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.389 3.691 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.298 1.704 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.038 1.441 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.434 1.796 -7.736 1.00 0.00 H new ATOM 492 N ASN A 36 -0.511 4.469 -8.428 1.00 0.00 N ATOM 493 CA ASN A 36 0.512 5.166 -9.219 1.00 0.00 C ATOM 494 C ASN A 36 0.547 6.662 -8.901 1.00 0.00 C ATOM 495 O ASN A 36 1.543 7.342 -9.146 1.00 0.00 O ATOM 496 CB ASN A 36 0.247 4.944 -10.713 1.00 0.00 C ATOM 497 CG ASN A 36 1.342 5.486 -11.608 1.00 0.00 C ATOM 498 OD1 ASN A 36 2.505 5.563 -11.216 1.00 0.00 O ATOM 499 ND2 ASN A 36 0.980 5.840 -12.829 1.00 0.00 N ATOM 0 H ASN A 36 -1.305 4.133 -8.973 1.00 0.00 H new ATOM 0 HA ASN A 36 1.486 4.753 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.132 3.876 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.698 5.417 -10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.677 6.193 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.004 5.761 -13.115 1.00 0.00 H new ATOM 506 N ASN A 37 -0.533 7.159 -8.323 1.00 0.00 N ATOM 507 CA ASN A 37 -0.659 8.578 -8.015 1.00 0.00 C ATOM 508 C ASN A 37 -0.385 8.821 -6.528 1.00 0.00 C ATOM 509 O ASN A 37 -0.511 9.939 -6.030 1.00 0.00 O ATOM 510 CB ASN A 37 -2.065 9.055 -8.417 1.00 0.00 C ATOM 511 CG ASN A 37 -2.280 10.551 -8.250 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.903 11.350 -9.107 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.924 10.936 -7.164 1.00 0.00 N ATOM 0 H ASN A 37 -1.342 6.598 -8.055 1.00 0.00 H new ATOM 0 HA ASN A 37 0.077 9.150 -8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.245 8.786 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.804 8.523 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.125 11.925 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.221 10.245 -6.475 1.00 0.00 H new ATOM 520 N TRP A 38 0.040 7.761 -5.841 1.00 0.00 N ATOM 521 CA TRP A 38 0.246 7.795 -4.397 1.00 0.00 C ATOM 522 C TRP A 38 1.179 8.906 -3.960 1.00 0.00 C ATOM 523 O TRP A 38 0.755 9.843 -3.292 1.00 0.00 O ATOM 524 CB TRP A 38 0.809 6.474 -3.900 1.00 0.00 C ATOM 525 CG TRP A 38 -0.182 5.682 -3.139 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.472 5.413 -3.487 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.043 5.057 -1.885 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.067 4.661 -2.519 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.153 4.428 -1.512 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.151 4.973 -1.040 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.270 3.725 -0.315 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.034 4.276 0.137 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.167 3.664 0.491 1.00 0.00 C ATOM 0 H TRP A 38 0.250 6.859 -6.269 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.736 7.980 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.159 5.890 -4.751 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.676 6.668 -3.268 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.952 5.746 -4.395 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.030 4.325 -2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.083 5.448 -1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.197 3.246 -0.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.885 4.201 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.228 3.128 1.426 1.00 0.00 H new ATOM 544 N ALA A 39 2.446 8.802 -4.348 1.00 0.00 N ATOM 545 CA ALA A 39 3.475 9.717 -3.867 1.00 0.00 C ATOM 546 C ALA A 39 3.131 11.162 -4.210 1.00 0.00 C ATOM 547 O ALA A 39 3.569 12.090 -3.537 1.00 0.00 O ATOM 548 CB ALA A 39 4.838 9.339 -4.437 1.00 0.00 C ATOM 0 H ALA A 39 2.785 8.091 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 39 3.519 9.632 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.592 10.033 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.094 8.326 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.803 9.388 -5.525 1.00 0.00 H new ATOM 554 N ALA A 40 2.333 11.343 -5.251 1.00 0.00 N ATOM 555 CA ALA A 40 1.884 12.665 -5.652 1.00 0.00 C ATOM 556 C ALA A 40 0.780 13.177 -4.723 1.00 0.00 C ATOM 557 O ALA A 40 0.909 14.243 -4.119 1.00 0.00 O ATOM 558 CB ALA A 40 1.392 12.635 -7.089 1.00 0.00 C ATOM 0 H ALA A 40 1.982 10.585 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 40 2.729 13.349 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.058 13.631 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.203 12.319 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.562 11.934 -7.175 1.00 0.00 H new ATOM 564 N ALA A 41 -0.293 12.402 -4.598 1.00 0.00 N ATOM 565 CA ALA A 41 -1.451 12.816 -3.810 1.00 0.00 C ATOM 566 C ALA A 41 -1.157 12.778 -2.318 1.00 0.00 C ATOM 567 O ALA A 41 -1.635 13.622 -1.566 1.00 0.00 O ATOM 568 CB ALA A 41 -2.654 11.949 -4.127 1.00 0.00 C ATOM 0 H ALA A 41 -0.386 11.484 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.677 13.847 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.505 12.275 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.899 12.039 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.424 10.909 -3.895 1.00 0.00 H new ATOM 574 N ALA A 42 -0.369 11.798 -1.896 1.00 0.00 N ATOM 575 CA ALA A 42 0.039 11.674 -0.501 1.00 0.00 C ATOM 576 C ALA A 42 0.748 12.946 -0.035 1.00 0.00 C ATOM 577 O ALA A 42 0.561 13.395 1.094 1.00 0.00 O ATOM 578 CB ALA A 42 0.955 10.477 -0.338 1.00 0.00 C ATOM 0 H ALA A 42 0.004 11.070 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.850 11.530 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.257 10.389 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.428 9.572 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.839 10.608 -0.961 1.00 0.00 H new ATOM 584 N GLN A 43 1.554 13.527 -0.924 1.00 0.00 N ATOM 585 CA GLN A 43 2.254 14.773 -0.628 1.00 0.00 C ATOM 586 C GLN A 43 1.256 15.899 -0.385 1.00 0.00 C ATOM 587 O GLN A 43 1.377 16.639 0.592 1.00 0.00 O ATOM 588 CB GLN A 43 3.205 15.141 -1.771 1.00 0.00 C ATOM 589 CG GLN A 43 4.475 14.306 -1.803 1.00 0.00 C ATOM 590 CD GLN A 43 5.487 14.743 -0.764 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.356 15.566 -1.041 1.00 0.00 O ATOM 592 NE2 GLN A 43 5.376 14.210 0.439 1.00 0.00 N ATOM 0 H GLN A 43 1.737 13.153 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 43 2.843 14.629 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.681 15.025 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.475 16.193 -1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.221 13.259 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.925 14.374 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.640 13.530 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.026 14.479 1.178 1.00 0.00 H new ATOM 601 N GLY A 44 0.259 16.002 -1.260 1.00 0.00 N ATOM 602 CA GLY A 44 -0.769 17.017 -1.103 1.00 0.00 C ATOM 603 C GLY A 44 -1.665 16.746 0.090 1.00 0.00 C ATOM 604 O GLY A 44 -2.163 17.673 0.728 1.00 0.00 O ATOM 0 H GLY A 44 0.145 15.400 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.298 17.993 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.375 17.061 -2.008 1.00 0.00 H new ATOM 608 N ALA A 45 -1.868 15.468 0.391 1.00 0.00 N ATOM 609 CA ALA A 45 -2.667 15.063 1.540 1.00 0.00 C ATOM 610 C ALA A 45 -1.930 15.349 2.843 1.00 0.00 C ATOM 611 O ALA A 45 -2.530 15.373 3.921 1.00 0.00 O ATOM 612 CB ALA A 45 -3.019 13.585 1.441 1.00 0.00 C ATOM 0 H ALA A 45 -1.487 14.691 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.589 15.644 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.616 13.294 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.590 13.407 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.104 12.994 1.417 1.00 0.00 H new ATOM 618 N GLY A 46 -0.627 15.568 2.741 1.00 0.00 N ATOM 619 CA GLY A 46 0.158 15.919 3.904 1.00 0.00 C ATOM 620 C GLY A 46 0.849 14.728 4.531 1.00 0.00 C ATOM 621 O GLY A 46 0.944 14.636 5.754 1.00 0.00 O ATOM 0 H GLY A 46 -0.099 15.508 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.907 16.659 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.490 16.388 4.645 1.00 0.00 H new ATOM 625 N PHE A 47 1.307 13.797 3.702 1.00 0.00 N ATOM 626 CA PHE A 47 2.080 12.667 4.193 1.00 0.00 C ATOM 627 C PHE A 47 3.552 12.885 3.868 1.00 0.00 C ATOM 628 O PHE A 47 3.884 13.528 2.869 1.00 0.00 O ATOM 629 CB PHE A 47 1.630 11.344 3.554 1.00 0.00 C ATOM 630 CG PHE A 47 0.148 11.059 3.591 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.705 11.719 4.461 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.386 10.117 2.730 1.00 0.00 C ATOM 633 CE1 PHE A 47 -2.061 11.444 4.461 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.735 9.832 2.727 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.575 10.498 3.592 1.00 0.00 C ATOM 0 H PHE A 47 1.157 13.803 2.693 1.00 0.00 H new ATOM 0 HA PHE A 47 1.922 12.601 5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.955 11.338 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.149 10.527 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.308 12.454 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.267 9.594 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.718 11.968 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.131 9.090 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.633 10.282 3.592 1.00 0.00 H new ATOM 645 N THR A 48 4.428 12.352 4.705 1.00 0.00 N ATOM 646 CA THR A 48 5.857 12.406 4.447 1.00 0.00 C ATOM 647 C THR A 48 6.282 11.175 3.665 1.00 0.00 C ATOM 648 O THR A 48 6.218 10.058 4.179 1.00 0.00 O ATOM 649 CB THR A 48 6.671 12.451 5.753 1.00 0.00 C ATOM 650 OG1 THR A 48 6.092 13.397 6.659 1.00 0.00 O ATOM 651 CG2 THR A 48 8.117 12.837 5.474 1.00 0.00 C ATOM 0 H THR A 48 4.173 11.876 5.570 1.00 0.00 H new ATOM 0 HA THR A 48 6.051 13.316 3.879 1.00 0.00 H new ATOM 0 HB THR A 48 6.652 11.457 6.201 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.615 13.418 7.488 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.674 12.863 6.411 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.567 12.104 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.147 13.821 5.007 1.00 0.00 H new ATOM 659 N VAL A 49 6.699 11.356 2.423 1.00 0.00 N ATOM 660 CA VAL A 49 7.113 10.214 1.633 1.00 0.00 C ATOM 661 C VAL A 49 8.634 10.080 1.659 1.00 0.00 C ATOM 662 O VAL A 49 9.370 11.032 1.391 1.00 0.00 O ATOM 663 CB VAL A 49 6.573 10.249 0.171 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.240 10.978 0.098 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.570 10.843 -0.812 1.00 0.00 C ATOM 0 H VAL A 49 6.759 12.259 1.952 1.00 0.00 H new ATOM 0 HA VAL A 49 6.668 9.331 2.092 1.00 0.00 H new ATOM 0 HB VAL A 49 6.419 9.212 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.886 10.988 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.511 10.467 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.366 12.003 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.139 10.841 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.804 11.867 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.483 10.247 -0.809 1.00 0.00 H new ATOM 675 N ASN A 50 9.090 8.912 2.068 1.00 0.00 N ATOM 676 CA ASN A 50 10.491 8.562 2.009 1.00 0.00 C ATOM 677 C ASN A 50 10.559 7.280 1.213 1.00 0.00 C ATOM 678 O ASN A 50 9.763 7.082 0.299 1.00 0.00 O ATOM 679 CB ASN A 50 11.081 8.315 3.408 1.00 0.00 C ATOM 680 CG ASN A 50 10.644 9.310 4.463 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.459 10.497 4.193 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.471 8.818 5.681 1.00 0.00 N ATOM 0 H ASN A 50 8.495 8.178 2.452 1.00 0.00 H new ATOM 0 HA ASN A 50 11.064 9.374 1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.801 7.313 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.169 8.335 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.173 9.430 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.636 7.827 5.859 1.00 0.00 H new ATOM 689 N HIS A 51 11.456 6.396 1.580 1.00 0.00 N ATOM 690 CA HIS A 51 11.471 5.063 1.000 1.00 0.00 C ATOM 691 C HIS A 51 12.207 4.067 1.890 1.00 0.00 C ATOM 692 O HIS A 51 13.413 3.860 1.764 1.00 0.00 O ATOM 693 CB HIS A 51 12.038 5.064 -0.438 1.00 0.00 C ATOM 694 CG HIS A 51 13.250 5.921 -0.663 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.223 7.062 -1.436 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.533 5.784 -0.249 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.433 7.585 -1.488 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.249 6.830 -0.777 1.00 0.00 N ATOM 0 H HIS A 51 12.184 6.569 2.273 1.00 0.00 H new ATOM 0 HA HIS A 51 10.433 4.736 0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 51 12.286 4.038 -0.711 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.252 5.394 -1.118 1.00 0.00 H new ATOM 0 HD1 HIS A 51 12.396 7.443 -1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.921 4.997 0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.710 8.481 -2.023 1.00 0.00 H new ATOM 707 N THR A 52 11.459 3.473 2.809 1.00 0.00 N ATOM 708 CA THR A 52 11.977 2.459 3.719 1.00 0.00 C ATOM 709 C THR A 52 10.814 1.651 4.300 1.00 0.00 C ATOM 710 O THR A 52 10.183 2.079 5.263 1.00 0.00 O ATOM 711 CB THR A 52 12.791 3.092 4.877 1.00 0.00 C ATOM 712 OG1 THR A 52 13.863 3.887 4.354 1.00 0.00 O ATOM 713 CG2 THR A 52 13.362 2.023 5.798 1.00 0.00 C ATOM 0 H THR A 52 10.470 3.682 2.946 1.00 0.00 H new ATOM 0 HA THR A 52 12.643 1.809 3.152 1.00 0.00 H new ATOM 0 HB THR A 52 12.113 3.723 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.005 3.664 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.927 2.498 6.600 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.548 1.438 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.020 1.367 5.229 1.00 0.00 H new ATOM 721 N PRO A 53 10.489 0.496 3.692 1.00 0.00 N ATOM 722 CA PRO A 53 9.370 -0.352 4.125 1.00 0.00 C ATOM 723 C PRO A 53 9.422 -0.699 5.612 1.00 0.00 C ATOM 724 O PRO A 53 10.491 -0.943 6.172 1.00 0.00 O ATOM 725 CB PRO A 53 9.516 -1.619 3.274 1.00 0.00 C ATOM 726 CG PRO A 53 10.887 -1.547 2.697 1.00 0.00 C ATOM 727 CD PRO A 53 11.180 -0.087 2.535 1.00 0.00 C ATOM 0 HA PRO A 53 8.416 0.158 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.390 -2.517 3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.760 -1.656 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.615 -2.022 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.937 -2.065 1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.250 0.118 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.797 0.303 1.592 1.00 0.00 H new ATOM 735 N SER A 54 8.251 -0.731 6.235 1.00 0.00 N ATOM 736 CA SER A 54 8.125 -0.955 7.668 1.00 0.00 C ATOM 737 C SER A 54 6.695 -1.369 7.979 1.00 0.00 C ATOM 738 O SER A 54 5.784 -1.032 7.223 1.00 0.00 O ATOM 739 CB SER A 54 8.486 0.319 8.442 1.00 0.00 C ATOM 740 OG SER A 54 9.852 0.655 8.269 1.00 0.00 O ATOM 0 H SER A 54 7.359 -0.602 5.758 1.00 0.00 H new ATOM 0 HA SER A 54 8.811 -1.745 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.860 1.144 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.276 0.176 9.502 1.00 0.00 H new ATOM 0 HG SER A 54 10.054 1.472 8.772 1.00 0.00 H new ATOM 746 N LYS A 55 6.488 -2.102 9.067 1.00 0.00 N ATOM 747 CA LYS A 55 5.154 -2.570 9.410 1.00 0.00 C ATOM 748 C LYS A 55 4.244 -1.381 9.698 1.00 0.00 C ATOM 749 O LYS A 55 4.662 -0.390 10.312 1.00 0.00 O ATOM 750 CB LYS A 55 5.194 -3.524 10.611 1.00 0.00 C ATOM 751 CG LYS A 55 5.298 -2.819 11.950 1.00 0.00 C ATOM 752 CD LYS A 55 5.599 -3.784 13.085 1.00 0.00 C ATOM 753 CE LYS A 55 5.643 -3.061 14.423 1.00 0.00 C ATOM 754 NZ LYS A 55 6.649 -1.964 14.429 1.00 0.00 N ATOM 0 H LYS A 55 7.220 -2.382 9.720 1.00 0.00 H new ATOM 0 HA LYS A 55 4.754 -3.124 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.295 -4.140 10.604 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.043 -4.198 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.082 -2.063 11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.364 -2.297 12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.838 -4.564 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.554 -4.277 12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.658 -2.651 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.879 -3.774 15.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.795 -1.632 15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.549 -2.316 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.307 -1.176 13.842 1.00 0.00 H new ATOM 768 N GLY A 56 3.020 -1.467 9.218 1.00 0.00 N ATOM 769 CA GLY A 56 2.074 -0.383 9.381 1.00 0.00 C ATOM 770 C GLY A 56 2.162 0.627 8.252 1.00 0.00 C ATOM 771 O GLY A 56 1.260 1.447 8.070 1.00 0.00 O ATOM 0 H GLY A 56 2.658 -2.275 8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.063 -0.788 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.259 0.119 10.331 1.00 0.00 H new ATOM 775 N ALA A 57 3.247 0.565 7.492 1.00 0.00 N ATOM 776 CA ALA A 57 3.445 1.457 6.364 1.00 0.00 C ATOM 777 C ALA A 57 3.049 0.756 5.072 1.00 0.00 C ATOM 778 O ALA A 57 2.596 -0.386 5.100 1.00 0.00 O ATOM 779 CB ALA A 57 4.891 1.926 6.305 1.00 0.00 C ATOM 0 H ALA A 57 4.007 -0.099 7.640 1.00 0.00 H new ATOM 0 HA ALA A 57 2.811 2.335 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.022 2.594 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.139 2.457 7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.549 1.064 6.195 1.00 0.00 H new ATOM 785 N ILE A 58 3.211 1.430 3.943 1.00 0.00 N ATOM 786 CA ILE A 58 2.791 0.869 2.663 1.00 0.00 C ATOM 787 C ILE A 58 3.863 1.088 1.601 1.00 0.00 C ATOM 788 O ILE A 58 4.577 2.083 1.630 1.00 0.00 O ATOM 789 CB ILE A 58 1.458 1.482 2.168 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.378 1.437 3.253 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.966 0.756 0.921 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.405 2.616 4.204 1.00 0.00 C ATOM 0 H ILE A 58 3.627 2.360 3.884 1.00 0.00 H new ATOM 0 HA ILE A 58 2.641 -0.199 2.824 1.00 0.00 H new ATOM 0 HB ILE A 58 1.652 2.527 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.600 1.393 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.494 0.518 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.028 1.200 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.711 0.845 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.806 -0.297 1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.391 2.507 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.368 2.651 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.257 3.539 3.643 1.00 0.00 H new ATOM 804 N LEU A 59 3.963 0.145 0.678 1.00 0.00 N ATOM 805 CA LEU A 59 4.961 0.189 -0.382 1.00 0.00 C ATOM 806 C LEU A 59 4.418 0.933 -1.606 1.00 0.00 C ATOM 807 O LEU A 59 3.211 1.130 -1.726 1.00 0.00 O ATOM 808 CB LEU A 59 5.325 -1.241 -0.776 1.00 0.00 C ATOM 809 CG LEU A 59 6.693 -1.425 -1.405 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.776 -1.337 -0.342 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.756 -2.744 -2.152 1.00 0.00 C ATOM 0 H LEU A 59 3.355 -0.673 0.641 1.00 0.00 H new ATOM 0 HA LEU A 59 5.843 0.718 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.268 -1.869 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.573 -1.608 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 59 6.864 -0.625 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.753 -1.471 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.734 -0.360 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.619 -2.117 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.743 -2.863 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.570 -3.564 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.000 -2.754 -2.937 1.00 0.00 H new ATOM 823 N GLN A 60 5.312 1.322 -2.513 1.00 0.00 N ATOM 824 CA GLN A 60 4.921 2.005 -3.744 1.00 0.00 C ATOM 825 C GLN A 60 5.918 1.728 -4.866 1.00 0.00 C ATOM 826 O GLN A 60 7.128 1.720 -4.649 1.00 0.00 O ATOM 827 CB GLN A 60 4.811 3.517 -3.504 1.00 0.00 C ATOM 828 CG GLN A 60 4.812 4.365 -4.774 1.00 0.00 C ATOM 829 CD GLN A 60 3.598 4.149 -5.667 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.031 3.057 -5.730 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.195 5.190 -6.372 1.00 0.00 N ATOM 0 H GLN A 60 6.317 1.175 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 60 3.947 1.620 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.894 3.718 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.641 3.832 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.862 5.418 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.714 4.144 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.688 6.080 -6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.391 5.105 -6.993 1.00 0.00 H new ATOM 840 N SER A 61 5.388 1.512 -6.062 1.00 0.00 N ATOM 841 CA SER A 61 6.195 1.291 -7.250 1.00 0.00 C ATOM 842 C SER A 61 5.376 1.634 -8.489 1.00 0.00 C ATOM 843 O SER A 61 4.201 1.279 -8.582 1.00 0.00 O ATOM 844 CB SER A 61 6.669 -0.164 -7.326 1.00 0.00 C ATOM 845 OG SER A 61 7.542 -0.365 -8.425 1.00 0.00 O ATOM 0 H SER A 61 4.383 1.485 -6.234 1.00 0.00 H new ATOM 0 HA SER A 61 7.074 1.934 -7.200 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.179 -0.431 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.807 -0.825 -7.418 1.00 0.00 H new ATOM 0 HG SER A 61 7.830 -1.302 -8.447 1.00 0.00 H new ATOM 851 N SER A 62 5.981 2.339 -9.424 1.00 0.00 N ATOM 852 CA SER A 62 5.310 2.681 -10.664 1.00 0.00 C ATOM 853 C SER A 62 5.704 1.688 -11.757 1.00 0.00 C ATOM 854 O SER A 62 6.732 1.855 -12.416 1.00 0.00 O ATOM 855 CB SER A 62 5.676 4.108 -11.078 1.00 0.00 C ATOM 856 OG SER A 62 5.529 5.001 -9.985 1.00 0.00 O ATOM 0 H SER A 62 6.937 2.687 -9.349 1.00 0.00 H new ATOM 0 HA SER A 62 4.231 2.628 -10.517 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.704 4.135 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.039 4.427 -11.903 1.00 0.00 H new ATOM 0 HG SER A 62 5.769 5.908 -10.269 1.00 0.00 H new ATOM 862 N GLU A 63 4.906 0.637 -11.924 1.00 0.00 N ATOM 863 CA GLU A 63 5.232 -0.411 -12.883 1.00 0.00 C ATOM 864 C GLU A 63 4.467 -0.245 -14.185 1.00 0.00 C ATOM 865 O GLU A 63 4.635 -1.031 -15.119 1.00 0.00 O ATOM 866 CB GLU A 63 4.955 -1.794 -12.298 1.00 0.00 C ATOM 867 CG GLU A 63 5.740 -2.105 -11.037 1.00 0.00 C ATOM 868 CD GLU A 63 5.483 -3.512 -10.539 1.00 0.00 C ATOM 869 OE1 GLU A 63 4.370 -3.772 -10.035 1.00 0.00 O ATOM 870 OE2 GLU A 63 6.386 -4.367 -10.658 1.00 0.00 O ATOM 0 H GLU A 63 4.036 0.490 -11.412 1.00 0.00 H new ATOM 0 HA GLU A 63 6.297 -0.320 -13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.890 -1.877 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.186 -2.548 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.805 -1.979 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.472 -1.391 -10.258 1.00 0.00 H new ATOM 877 N GLY A 64 3.638 0.777 -14.252 1.00 0.00 N ATOM 878 CA GLY A 64 2.901 1.041 -15.477 1.00 0.00 C ATOM 879 C GLY A 64 1.390 1.120 -15.303 1.00 0.00 C ATOM 880 O GLY A 64 0.824 2.209 -15.385 1.00 0.00 O ATOM 0 H GLY A 64 3.458 1.429 -13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.254 1.980 -15.903 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.130 0.257 -16.199 1.00 0.00 H new ATOM 884 N PRO A 65 0.715 -0.024 -15.065 1.00 0.00 N ATOM 885 CA PRO A 65 -0.751 -0.120 -15.104 1.00 0.00 C ATOM 886 C PRO A 65 -1.459 0.957 -14.292 1.00 0.00 C ATOM 887 O PRO A 65 -2.129 1.827 -14.853 1.00 0.00 O ATOM 888 CB PRO A 65 -1.060 -1.513 -14.531 1.00 0.00 C ATOM 889 CG PRO A 65 0.231 -2.034 -13.995 1.00 0.00 C ATOM 890 CD PRO A 65 1.327 -1.313 -14.724 1.00 0.00 C ATOM 0 HA PRO A 65 -1.113 0.026 -16.122 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.813 -1.453 -13.745 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.457 -2.173 -15.303 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.302 -1.860 -12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.307 -3.110 -14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.210 -1.186 -14.098 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.643 -1.856 -15.615 1.00 0.00 H new ATOM 898 N PHE A 66 -1.305 0.911 -12.982 1.00 0.00 N ATOM 899 CA PHE A 66 -2.008 1.847 -12.115 1.00 0.00 C ATOM 900 C PHE A 66 -1.249 2.048 -10.814 1.00 0.00 C ATOM 901 O PHE A 66 -1.788 2.590 -9.848 1.00 0.00 O ATOM 902 CB PHE A 66 -3.423 1.338 -11.819 1.00 0.00 C ATOM 903 CG PHE A 66 -3.463 0.216 -10.826 1.00 0.00 C ATOM 904 CD1 PHE A 66 -2.793 -0.971 -11.072 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.156 0.361 -9.641 1.00 0.00 C ATOM 906 CE1 PHE A 66 -2.816 -1.995 -10.151 1.00 0.00 C ATOM 907 CE2 PHE A 66 -4.185 -0.659 -8.715 1.00 0.00 C ATOM 908 CZ PHE A 66 -3.513 -1.839 -8.971 1.00 0.00 C ATOM 0 H PHE A 66 -0.706 0.244 -12.495 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.075 2.805 -12.631 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.026 2.165 -11.444 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.882 1.005 -12.750 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.247 -1.095 -11.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.681 1.283 -9.438 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.290 -2.917 -10.352 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.732 -0.537 -7.792 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.534 -2.640 -8.247 1.00 0.00 H new ATOM 918 N GLY A 67 0.006 1.619 -10.794 1.00 0.00 N ATOM 919 CA GLY A 67 0.821 1.762 -9.605 1.00 0.00 C ATOM 920 C GLY A 67 0.845 0.497 -8.778 1.00 0.00 C ATOM 921 O GLY A 67 0.122 -0.452 -9.074 1.00 0.00 O ATOM 0 H GLY A 67 0.475 1.173 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.839 2.026 -9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.438 2.583 -9.000 1.00 0.00 H new ATOM 925 N HIS A 68 1.661 0.486 -7.738 1.00 0.00 N ATOM 926 CA HIS A 68 1.837 -0.701 -6.918 1.00 0.00 C ATOM 927 C HIS A 68 1.963 -0.318 -5.455 1.00 0.00 C ATOM 928 O HIS A 68 3.061 -0.012 -4.996 1.00 0.00 O ATOM 929 CB HIS A 68 3.106 -1.446 -7.345 1.00 0.00 C ATOM 930 CG HIS A 68 3.229 -2.836 -6.791 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.656 -3.908 -7.541 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.993 -3.325 -5.550 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.674 -4.990 -6.789 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.275 -4.665 -5.575 1.00 0.00 N ATOM 0 H HIS A 68 2.215 1.289 -7.440 1.00 0.00 H new ATOM 0 HA HIS A 68 0.966 -1.343 -7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.132 -1.499 -8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.975 -0.866 -7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.646 -2.761 -4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.967 -5.978 -7.113 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.190 -5.305 -4.786 1.00 0.00 H new ATOM 943 N VAL A 69 0.864 -0.328 -4.717 1.00 0.00 N ATOM 944 CA VAL A 69 0.946 -0.063 -3.300 1.00 0.00 C ATOM 945 C VAL A 69 0.519 -1.280 -2.496 1.00 0.00 C ATOM 946 O VAL A 69 -0.603 -1.775 -2.612 1.00 0.00 O ATOM 947 CB VAL A 69 0.125 1.177 -2.905 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.674 2.393 -3.629 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.352 0.991 -3.220 1.00 0.00 C ATOM 0 H VAL A 69 -0.074 -0.513 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 69 1.989 0.151 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 69 0.211 1.322 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.095 3.274 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.717 2.542 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.605 2.237 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.902 1.886 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.477 0.821 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.736 0.133 -2.669 1.00 0.00 H new ATOM 959 N ALA A 70 1.451 -1.779 -1.713 1.00 0.00 N ATOM 960 CA ALA A 70 1.224 -2.955 -0.902 1.00 0.00 C ATOM 961 C ALA A 70 1.432 -2.618 0.557 1.00 0.00 C ATOM 962 O ALA A 70 2.481 -2.095 0.931 1.00 0.00 O ATOM 963 CB ALA A 70 2.162 -4.070 -1.323 1.00 0.00 C ATOM 0 H ALA A 70 2.386 -1.382 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 70 0.198 -3.293 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.982 -4.950 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.985 -4.319 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.194 -3.744 -1.197 1.00 0.00 H new ATOM 969 N TYR A 71 0.442 -2.908 1.375 1.00 0.00 N ATOM 970 CA TYR A 71 0.520 -2.588 2.785 1.00 0.00 C ATOM 971 C TYR A 71 1.537 -3.496 3.464 1.00 0.00 C ATOM 972 O TYR A 71 1.450 -4.716 3.374 1.00 0.00 O ATOM 973 CB TYR A 71 -0.856 -2.726 3.435 1.00 0.00 C ATOM 974 CG TYR A 71 -0.821 -2.644 4.938 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.868 -1.419 5.588 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.730 -3.795 5.706 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.827 -1.343 6.964 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.690 -3.727 7.085 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.738 -2.498 7.709 1.00 0.00 C ATOM 980 OH TYR A 71 -0.701 -2.423 9.082 1.00 0.00 O ATOM 0 H TYR A 71 -0.424 -3.364 1.089 1.00 0.00 H new ATOM 0 HA TYR A 71 0.846 -1.555 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.510 -1.943 3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.294 -3.680 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.938 -0.511 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.690 -4.758 5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.865 -0.382 7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.622 -4.631 7.671 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.639 -3.326 9.457 1.00 0.00 H new ATOM 990 N VAL A 72 2.497 -2.896 4.136 1.00 0.00 N ATOM 991 CA VAL A 72 3.592 -3.641 4.727 1.00 0.00 C ATOM 992 C VAL A 72 3.194 -4.188 6.092 1.00 0.00 C ATOM 993 O VAL A 72 2.852 -3.430 7.002 1.00 0.00 O ATOM 994 CB VAL A 72 4.848 -2.763 4.870 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.049 -3.605 5.265 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.116 -1.990 3.582 1.00 0.00 C ATOM 0 H VAL A 72 2.542 -1.888 4.288 1.00 0.00 H new ATOM 0 HA VAL A 72 3.822 -4.472 4.060 1.00 0.00 H new ATOM 0 HB VAL A 72 4.672 -2.038 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.926 -2.965 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.852 -4.096 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.232 -4.359 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.008 -1.376 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.269 -2.691 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.263 -1.350 3.358 1.00 0.00 H new ATOM 1006 N GLU A 73 3.243 -5.504 6.228 1.00 0.00 N ATOM 1007 CA GLU A 73 2.856 -6.160 7.465 1.00 0.00 C ATOM 1008 C GLU A 73 4.039 -6.277 8.412 1.00 0.00 C ATOM 1009 O GLU A 73 3.858 -6.332 9.628 1.00 0.00 O ATOM 1010 CB GLU A 73 2.277 -7.547 7.173 1.00 0.00 C ATOM 1011 CG GLU A 73 0.850 -7.512 6.648 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.174 -7.252 7.741 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.077 -6.397 8.611 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.231 -7.919 7.748 1.00 0.00 O ATOM 0 H GLU A 73 3.549 -6.141 5.492 1.00 0.00 H new ATOM 0 HA GLU A 73 2.091 -5.550 7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.912 -8.050 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.305 -8.143 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.767 -6.736 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.623 -8.461 6.162 1.00 0.00 H new ATOM 1021 N SER A 74 5.251 -6.308 7.852 1.00 0.00 N ATOM 1022 CA SER A 74 6.458 -6.465 8.656 1.00 0.00 C ATOM 1023 C SER A 74 7.706 -6.453 7.782 1.00 0.00 C ATOM 1024 O SER A 74 7.640 -6.749 6.588 1.00 0.00 O ATOM 1025 CB SER A 74 6.399 -7.780 9.444 1.00 0.00 C ATOM 1026 OG SER A 74 6.084 -8.872 8.590 1.00 0.00 O ATOM 0 H SER A 74 5.419 -6.227 6.849 1.00 0.00 H new ATOM 0 HA SER A 74 6.511 -5.625 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.357 -7.959 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.650 -7.702 10.232 1.00 0.00 H new ATOM 0 HG SER A 74 6.054 -9.699 9.114 1.00 0.00 H new ATOM 1032 N VAL A 75 8.830 -6.091 8.376 1.00 0.00 N ATOM 1033 CA VAL A 75 10.118 -6.231 7.719 1.00 0.00 C ATOM 1034 C VAL A 75 10.920 -7.321 8.423 1.00 0.00 C ATOM 1035 O VAL A 75 11.160 -7.260 9.631 1.00 0.00 O ATOM 1036 CB VAL A 75 10.910 -4.898 7.680 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.051 -4.295 9.070 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.280 -5.103 7.038 1.00 0.00 C ATOM 0 H VAL A 75 8.877 -5.697 9.315 1.00 0.00 H new ATOM 0 HA VAL A 75 9.943 -6.513 6.681 1.00 0.00 H new ATOM 0 HB VAL A 75 10.345 -4.194 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.611 -3.362 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.062 -4.097 9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.581 -4.993 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.819 -4.156 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.847 -5.833 7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.153 -5.467 6.018 1.00 0.00 H new ATOM 1048 N ASN A 76 11.306 -8.333 7.667 1.00 0.00 N ATOM 1049 CA ASN A 76 11.932 -9.516 8.233 1.00 0.00 C ATOM 1050 C ASN A 76 13.379 -9.235 8.615 1.00 0.00 C ATOM 1051 O ASN A 76 14.012 -8.328 8.073 1.00 0.00 O ATOM 1052 CB ASN A 76 11.882 -10.681 7.238 1.00 0.00 C ATOM 1053 CG ASN A 76 10.478 -10.991 6.752 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.494 -10.788 7.463 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.377 -11.481 5.528 1.00 0.00 N ATOM 0 H ASN A 76 11.196 -8.360 6.653 1.00 0.00 H new ATOM 0 HA ASN A 76 11.377 -9.788 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.513 -10.446 6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.302 -11.570 7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.460 -11.705 5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.216 -11.635 4.970 1.00 0.00 H new ATOM 1062 N SER A 77 13.908 -10.037 9.530 1.00 0.00 N ATOM 1063 CA SER A 77 15.291 -9.892 9.969 1.00 0.00 C ATOM 1064 C SER A 77 16.231 -10.428 8.895 1.00 0.00 C ATOM 1065 O SER A 77 17.448 -10.285 8.982 1.00 0.00 O ATOM 1066 CB SER A 77 15.505 -10.640 11.289 1.00 0.00 C ATOM 1067 OG SER A 77 16.791 -10.383 11.831 1.00 0.00 O ATOM 0 H SER A 77 13.400 -10.796 9.984 1.00 0.00 H new ATOM 0 HA SER A 77 15.507 -8.836 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.741 -10.340 12.006 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.386 -11.711 11.125 1.00 0.00 H new ATOM 0 HG SER A 77 17.433 -10.251 11.102 1.00 0.00 H new ATOM 1073 N ASP A 78 15.643 -11.039 7.879 1.00 0.00 N ATOM 1074 CA ASP A 78 16.394 -11.589 6.760 1.00 0.00 C ATOM 1075 C ASP A 78 16.651 -10.511 5.710 1.00 0.00 C ATOM 1076 O ASP A 78 17.283 -10.764 4.684 1.00 0.00 O ATOM 1077 CB ASP A 78 15.616 -12.743 6.126 1.00 0.00 C ATOM 1078 CG ASP A 78 15.217 -13.802 7.133 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.177 -13.630 7.806 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.940 -14.808 7.261 1.00 0.00 O ATOM 0 H ASP A 78 14.634 -11.168 7.806 1.00 0.00 H new ATOM 0 HA ASP A 78 17.350 -11.957 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.721 -12.351 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.224 -13.200 5.346 1.00 0.00 H new ATOM 1085 N GLY A 79 16.137 -9.311 5.970 1.00 0.00 N ATOM 1086 CA GLY A 79 16.275 -8.212 5.030 1.00 0.00 C ATOM 1087 C GLY A 79 15.202 -8.246 3.964 1.00 0.00 C ATOM 1088 O GLY A 79 15.221 -7.460 3.017 1.00 0.00 O ATOM 0 H GLY A 79 15.624 -9.080 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.223 -7.265 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.257 -8.258 4.559 1.00 0.00 H new ATOM 1092 N SER A 80 14.272 -9.172 4.117 1.00 0.00 N ATOM 1093 CA SER A 80 13.140 -9.273 3.219 1.00 0.00 C ATOM 1094 C SER A 80 11.924 -8.596 3.841 1.00 0.00 C ATOM 1095 O SER A 80 11.761 -8.593 5.056 1.00 0.00 O ATOM 1096 CB SER A 80 12.853 -10.744 2.898 1.00 0.00 C ATOM 1097 OG SER A 80 12.880 -11.548 4.070 1.00 0.00 O ATOM 0 H SER A 80 14.281 -9.869 4.862 1.00 0.00 H new ATOM 0 HA SER A 80 13.372 -8.764 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.877 -10.829 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.591 -11.113 2.186 1.00 0.00 H new ATOM 0 HG SER A 80 12.692 -12.480 3.832 1.00 0.00 H new ATOM 1103 N VAL A 81 11.092 -7.996 3.018 1.00 0.00 N ATOM 1104 CA VAL A 81 9.932 -7.282 3.516 1.00 0.00 C ATOM 1105 C VAL A 81 8.645 -8.017 3.170 1.00 0.00 C ATOM 1106 O VAL A 81 8.395 -8.351 2.009 1.00 0.00 O ATOM 1107 CB VAL A 81 9.885 -5.844 2.966 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.663 -5.106 3.481 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.158 -5.100 3.341 1.00 0.00 C ATOM 0 H VAL A 81 11.195 -7.987 2.003 1.00 0.00 H new ATOM 0 HA VAL A 81 10.021 -7.233 4.601 1.00 0.00 H new ATOM 0 HB VAL A 81 9.814 -5.892 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.653 -4.093 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.761 -5.631 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.696 -5.063 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.115 -4.084 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.253 -5.065 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.019 -5.617 2.918 1.00 0.00 H new ATOM 1119 N THR A 82 7.839 -8.266 4.190 1.00 0.00 N ATOM 1120 CA THR A 82 6.576 -8.957 4.026 1.00 0.00 C ATOM 1121 C THR A 82 5.448 -7.950 3.822 1.00 0.00 C ATOM 1122 O THR A 82 5.048 -7.245 4.754 1.00 0.00 O ATOM 1123 CB THR A 82 6.272 -9.841 5.253 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.337 -10.788 5.447 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.950 -10.582 5.083 1.00 0.00 C ATOM 0 H THR A 82 8.044 -7.994 5.152 1.00 0.00 H new ATOM 0 HA THR A 82 6.649 -9.597 3.147 1.00 0.00 H new ATOM 0 HB THR A 82 6.192 -9.194 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.883 -10.514 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.762 -11.197 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.141 -9.861 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.001 -11.218 4.200 1.00 0.00 H new ATOM 1133 N ILE A 83 4.959 -7.867 2.597 1.00 0.00 N ATOM 1134 CA ILE A 83 3.891 -6.942 2.264 1.00 0.00 C ATOM 1135 C ILE A 83 2.604 -7.694 1.954 1.00 0.00 C ATOM 1136 O ILE A 83 2.633 -8.832 1.479 1.00 0.00 O ATOM 1137 CB ILE A 83 4.266 -6.042 1.069 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.687 -6.890 -0.134 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.376 -5.078 1.461 1.00 0.00 C ATOM 1140 CD1 ILE A 83 5.015 -6.081 -1.370 1.00 0.00 C ATOM 0 H ILE A 83 5.287 -8.432 1.814 1.00 0.00 H new ATOM 0 HA ILE A 83 3.736 -6.305 3.135 1.00 0.00 H new ATOM 0 HB ILE A 83 3.388 -5.461 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.558 -7.485 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.885 -7.589 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.630 -4.449 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.039 -4.451 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.256 -5.642 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.304 -6.753 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.139 -5.506 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.838 -5.401 -1.152 1.00 0.00 H new ATOM 1152 N SER A 84 1.483 -7.056 2.229 1.00 0.00 N ATOM 1153 CA SER A 84 0.186 -7.659 2.016 1.00 0.00 C ATOM 1154 C SER A 84 -0.665 -6.756 1.124 1.00 0.00 C ATOM 1155 O SER A 84 -1.225 -5.756 1.578 1.00 0.00 O ATOM 1156 CB SER A 84 -0.501 -7.893 3.363 1.00 0.00 C ATOM 1157 OG SER A 84 -1.562 -8.824 3.254 1.00 0.00 O ATOM 0 H SER A 84 1.448 -6.108 2.605 1.00 0.00 H new ATOM 0 HA SER A 84 0.309 -8.620 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.229 -8.256 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.885 -6.947 3.745 1.00 0.00 H new ATOM 0 HG SER A 84 -2.359 -8.465 3.696 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.708 -7.090 -0.152 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.522 -6.367 -1.122 1.00 0.00 C ATOM 1165 C GLU A 85 -2.652 -7.256 -1.631 1.00 0.00 C ATOM 1166 O GLU A 85 -2.430 -8.200 -2.385 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.653 -5.872 -2.288 1.00 0.00 C ATOM 1168 CG GLU A 85 0.165 -6.968 -2.960 1.00 0.00 C ATOM 1169 CD GLU A 85 1.068 -6.450 -4.064 1.00 0.00 C ATOM 1170 OE1 GLU A 85 0.579 -6.214 -5.186 1.00 0.00 O ATOM 1171 OE2 GLU A 85 2.280 -6.285 -3.818 1.00 0.00 O ATOM 0 H GLU A 85 -0.182 -7.868 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.962 -5.499 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.296 -5.404 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.024 -5.101 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.773 -7.471 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.512 -7.715 -3.374 1.00 0.00 H new ATOM 1178 N MET A 86 -3.867 -6.972 -1.200 1.00 0.00 N ATOM 1179 CA MET A 86 -5.003 -7.786 -1.588 1.00 0.00 C ATOM 1180 C MET A 86 -5.477 -7.407 -2.984 1.00 0.00 C ATOM 1181 O MET A 86 -5.609 -6.221 -3.293 1.00 0.00 O ATOM 1182 CB MET A 86 -6.154 -7.640 -0.589 1.00 0.00 C ATOM 1183 CG MET A 86 -7.225 -8.708 -0.759 1.00 0.00 C ATOM 1184 SD MET A 86 -8.665 -8.455 0.298 1.00 0.00 S ATOM 1185 CE MET A 86 -7.990 -8.882 1.901 1.00 0.00 C ATOM 0 H MET A 86 -4.092 -6.189 -0.585 1.00 0.00 H new ATOM 0 HA MET A 86 -4.681 -8.827 -1.591 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.757 -7.689 0.425 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.608 -6.656 -0.706 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.547 -8.726 -1.800 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.792 -9.684 -0.542 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.300 -8.139 2.636 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.357 -9.864 2.200 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.902 -8.903 1.844 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.685 -8.429 -3.823 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.239 -8.274 -5.177 1.00 0.00 C ATOM 1197 C ASN A 87 -5.251 -7.603 -6.118 1.00 0.00 C ATOM 1198 O ASN A 87 -4.819 -8.208 -7.102 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.549 -7.478 -5.160 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.205 -7.377 -6.526 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -9.038 -8.198 -6.882 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.840 -6.367 -7.298 1.00 0.00 N ATOM 0 H ASN A 87 -5.472 -9.397 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.441 -9.280 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.244 -7.949 -4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.352 -6.474 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.257 -6.255 -8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.142 -5.700 -6.969 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.907 -6.353 -5.802 1.00 0.00 N ATOM 1210 CA TYR A 88 -4.054 -5.525 -6.645 1.00 0.00 C ATOM 1211 C TYR A 88 -4.761 -5.240 -7.970 1.00 0.00 C ATOM 1212 O TYR A 88 -5.429 -4.216 -8.117 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.699 -6.213 -6.866 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.671 -5.371 -7.580 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.246 -4.160 -7.052 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -1.104 -5.802 -8.773 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.287 -3.402 -7.692 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.147 -5.049 -9.420 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.259 -3.850 -8.875 1.00 0.00 C ATOM 1220 OH TYR A 88 1.226 -3.105 -9.507 1.00 0.00 O ATOM 0 H TYR A 88 -5.216 -5.888 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.864 -4.573 -6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.296 -6.510 -5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.860 -7.127 -7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.673 -3.805 -6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.418 -6.743 -9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.034 -2.462 -7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.282 -5.397 -10.348 1.00 0.00 H new ATOM 0 HH TYR A 88 1.004 -2.153 -9.437 1.00 0.00 H new ATOM 1230 N SER A 89 -4.647 -6.179 -8.894 1.00 0.00 N ATOM 1231 CA SER A 89 -5.332 -6.137 -10.182 1.00 0.00 C ATOM 1232 C SER A 89 -5.188 -7.489 -10.863 1.00 0.00 C ATOM 1233 O SER A 89 -5.062 -7.583 -12.081 1.00 0.00 O ATOM 1234 CB SER A 89 -4.773 -5.025 -11.078 1.00 0.00 C ATOM 1235 OG SER A 89 -5.281 -3.758 -10.694 1.00 0.00 O ATOM 0 H SER A 89 -4.066 -7.008 -8.771 1.00 0.00 H new ATOM 0 HA SER A 89 -6.386 -5.918 -10.012 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.685 -5.018 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.034 -5.225 -12.117 1.00 0.00 H new ATOM 0 HG SER A 89 -4.561 -3.222 -10.301 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.219 -8.538 -10.055 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.013 -9.877 -10.572 1.00 0.00 C ATOM 1243 C GLY A 90 -6.156 -10.792 -10.214 1.00 0.00 C ATOM 1244 O GLY A 90 -7.117 -10.924 -10.970 1.00 0.00 O ATOM 0 H GLY A 90 -5.383 -8.487 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.904 -9.836 -11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.083 -10.282 -10.173 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.061 -11.420 -9.060 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.146 -12.244 -8.581 1.00 0.00 C ATOM 1250 C GLY A 91 -8.000 -11.493 -7.585 1.00 0.00 C ATOM 1251 O GLY A 91 -7.469 -10.930 -6.628 1.00 0.00 O ATOM 0 H GLY A 91 -5.250 -11.375 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.760 -12.567 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.745 -13.144 -8.115 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.323 -11.430 -7.800 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.242 -10.755 -6.882 1.00 0.00 C ATOM 1257 C PRO A 92 -10.077 -11.227 -5.442 1.00 0.00 C ATOM 1258 O PRO A 92 -10.331 -12.393 -5.124 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.622 -11.112 -7.429 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.385 -11.336 -8.880 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.030 -11.981 -8.971 1.00 0.00 C ATOM 0 HA PRO A 92 -10.063 -9.681 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.024 -12.003 -6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.339 -10.308 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.155 -11.978 -9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.410 -10.396 -9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.096 -13.068 -8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.525 -11.729 -9.903 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.606 -10.308 -4.597 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.350 -10.562 -3.180 1.00 0.00 C ATOM 1271 C PHE A 93 -8.181 -11.516 -2.964 1.00 0.00 C ATOM 1272 O PHE A 93 -7.962 -11.977 -1.845 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.580 -11.101 -2.455 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.703 -10.110 -2.312 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.597 -9.893 -3.348 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -11.867 -9.402 -1.132 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.633 -8.988 -3.211 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -12.902 -8.497 -0.988 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.785 -8.290 -2.030 1.00 0.00 C ATOM 0 H PHE A 93 -9.389 -9.353 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.092 -9.592 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.949 -11.975 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.282 -11.439 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.483 -10.437 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.178 -9.559 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.322 -8.827 -4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.020 -7.953 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.594 -7.583 -1.921 1.00 0.00 H new ATOM 1289 N SER A 94 -7.428 -11.814 -4.015 1.00 0.00 N ATOM 1290 CA SER A 94 -6.214 -12.585 -3.847 1.00 0.00 C ATOM 1291 C SER A 94 -5.170 -11.719 -3.184 1.00 0.00 C ATOM 1292 O SER A 94 -4.445 -10.981 -3.851 1.00 0.00 O ATOM 1293 CB SER A 94 -5.676 -13.113 -5.177 1.00 0.00 C ATOM 1294 OG SER A 94 -6.592 -14.019 -5.774 1.00 0.00 O ATOM 0 H SER A 94 -7.635 -11.537 -4.975 1.00 0.00 H new ATOM 0 HA SER A 94 -6.447 -13.450 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.490 -12.280 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.720 -13.611 -5.014 1.00 0.00 H new ATOM 0 HG SER A 94 -6.122 -14.575 -6.430 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.161 -11.745 -1.866 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.175 -11.012 -1.109 1.00 0.00 C ATOM 1302 C VAL A 95 -2.774 -11.539 -1.440 1.00 0.00 C ATOM 1303 O VAL A 95 -2.343 -12.577 -0.932 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.465 -11.070 0.412 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.792 -12.487 0.855 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.300 -10.503 1.212 1.00 0.00 C ATOM 0 H VAL A 95 -5.828 -12.268 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.226 -9.961 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.340 -10.450 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.991 -12.496 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.673 -12.842 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.947 -13.140 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.530 -10.556 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.400 -11.083 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.135 -9.464 0.927 1.00 0.00 H new ATOM 1316 N SER A 96 -2.093 -10.838 -2.331 1.00 0.00 N ATOM 1317 CA SER A 96 -0.812 -11.279 -2.845 1.00 0.00 C ATOM 1318 C SER A 96 0.287 -11.076 -1.817 1.00 0.00 C ATOM 1319 O SER A 96 0.648 -9.944 -1.481 1.00 0.00 O ATOM 1320 CB SER A 96 -0.483 -10.532 -4.137 1.00 0.00 C ATOM 1321 OG SER A 96 -1.500 -10.740 -5.108 1.00 0.00 O ATOM 0 H SER A 96 -2.414 -9.950 -2.716 1.00 0.00 H new ATOM 0 HA SER A 96 -0.875 -12.346 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.381 -9.466 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.475 -10.874 -4.527 1.00 0.00 H new ATOM 0 HG SER A 96 -1.274 -10.253 -5.928 1.00 0.00 H new ATOM 1327 N SER A 97 0.795 -12.179 -1.304 1.00 0.00 N ATOM 1328 CA SER A 97 1.897 -12.136 -0.354 1.00 0.00 C ATOM 1329 C SER A 97 3.226 -12.017 -1.089 1.00 0.00 C ATOM 1330 O SER A 97 3.824 -13.016 -1.486 1.00 0.00 O ATOM 1331 CB SER A 97 1.897 -13.382 0.535 1.00 0.00 C ATOM 1332 OG SER A 97 0.688 -13.493 1.269 1.00 0.00 O ATOM 0 H SER A 97 0.465 -13.118 -1.527 1.00 0.00 H new ATOM 0 HA SER A 97 1.765 -11.260 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.033 -14.271 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.740 -13.339 1.224 1.00 0.00 H new ATOM 0 HG SER A 97 0.716 -14.299 1.826 1.00 0.00 H new ATOM 1338 N ARG A 98 3.675 -10.789 -1.294 1.00 0.00 N ATOM 1339 CA ARG A 98 4.944 -10.549 -1.962 1.00 0.00 C ATOM 1340 C ARG A 98 6.057 -10.459 -0.930 1.00 0.00 C ATOM 1341 O ARG A 98 5.799 -10.282 0.262 1.00 0.00 O ATOM 1342 CB ARG A 98 4.911 -9.255 -2.778 1.00 0.00 C ATOM 1343 CG ARG A 98 3.796 -9.175 -3.807 1.00 0.00 C ATOM 1344 CD ARG A 98 3.972 -10.174 -4.940 1.00 0.00 C ATOM 1345 NE ARG A 98 3.143 -9.816 -6.095 1.00 0.00 N ATOM 1346 CZ ARG A 98 2.977 -10.573 -7.182 1.00 0.00 C ATOM 1347 NH1 ARG A 98 3.483 -11.796 -7.240 1.00 0.00 N ATOM 1348 NH2 ARG A 98 2.273 -10.106 -8.205 1.00 0.00 N ATOM 0 H ARG A 98 3.180 -9.944 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 98 5.127 -11.381 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.814 -8.413 -2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.867 -9.141 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.840 -9.354 -3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.759 -8.167 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.020 -10.209 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.705 -11.172 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 98 2.656 -8.920 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.007 -12.169 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.349 -12.364 -8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.862 -9.174 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.143 -10.679 -9.038 1.00 0.00 H new ATOM 1362 N THR A 99 7.287 -10.581 -1.387 1.00 0.00 N ATOM 1363 CA THR A 99 8.437 -10.496 -0.507 1.00 0.00 C ATOM 1364 C THR A 99 9.494 -9.580 -1.114 1.00 0.00 C ATOM 1365 O THR A 99 10.174 -9.942 -2.071 1.00 0.00 O ATOM 1366 CB THR A 99 9.032 -11.892 -0.236 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.009 -12.758 0.279 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.179 -11.816 0.762 1.00 0.00 C ATOM 0 H THR A 99 7.517 -10.740 -2.368 1.00 0.00 H new ATOM 0 HA THR A 99 8.108 -10.079 0.445 1.00 0.00 H new ATOM 0 HB THR A 99 9.419 -12.287 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.387 -13.646 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.579 -12.815 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.965 -11.174 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.815 -11.404 1.703 1.00 0.00 H new ATOM 1376 N ILE A 100 9.611 -8.386 -0.553 1.00 0.00 N ATOM 1377 CA ILE A 100 10.502 -7.370 -1.089 1.00 0.00 C ATOM 1378 C ILE A 100 11.927 -7.571 -0.598 1.00 0.00 C ATOM 1379 O ILE A 100 12.161 -7.730 0.596 1.00 0.00 O ATOM 1380 CB ILE A 100 10.033 -5.952 -0.690 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.629 -5.681 -1.221 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.002 -4.892 -1.195 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.493 -5.876 -2.719 1.00 0.00 C ATOM 0 H ILE A 100 9.096 -8.096 0.279 1.00 0.00 H new ATOM 0 HA ILE A 100 10.478 -7.468 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 100 10.010 -5.902 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.925 -6.340 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.347 -4.659 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.647 -3.905 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.988 -5.066 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.065 -4.945 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.467 -5.665 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.171 -5.198 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.743 -6.905 -2.976 1.00 0.00 H new ATOM 1395 N SER A 101 12.870 -7.579 -1.519 1.00 0.00 N ATOM 1396 CA SER A 101 14.274 -7.573 -1.152 1.00 0.00 C ATOM 1397 C SER A 101 14.699 -6.137 -0.855 1.00 0.00 C ATOM 1398 O SER A 101 14.253 -5.207 -1.532 1.00 0.00 O ATOM 1399 CB SER A 101 15.126 -8.166 -2.278 1.00 0.00 C ATOM 1400 OG SER A 101 16.470 -8.349 -1.864 1.00 0.00 O ATOM 0 H SER A 101 12.692 -7.590 -2.523 1.00 0.00 H new ATOM 0 HA SER A 101 14.423 -8.188 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.706 -9.122 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.097 -7.506 -3.145 1.00 0.00 H new ATOM 0 HG SER A 101 16.990 -8.730 -2.602 1.00 0.00 H new ATOM 1406 N ALA A 102 15.553 -5.959 0.152 1.00 0.00 N ATOM 1407 CA ALA A 102 15.972 -4.628 0.597 1.00 0.00 C ATOM 1408 C ALA A 102 16.546 -3.793 -0.549 1.00 0.00 C ATOM 1409 O ALA A 102 16.439 -2.564 -0.549 1.00 0.00 O ATOM 1410 CB ALA A 102 16.984 -4.746 1.728 1.00 0.00 C ATOM 0 H ALA A 102 15.972 -6.725 0.679 1.00 0.00 H new ATOM 0 HA ALA A 102 15.085 -4.110 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.288 -3.750 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.532 -5.276 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.858 -5.296 1.379 1.00 0.00 H new ATOM 1416 N SER A 103 17.132 -4.468 -1.530 1.00 0.00 N ATOM 1417 CA SER A 103 17.711 -3.805 -2.690 1.00 0.00 C ATOM 1418 C SER A 103 16.662 -2.983 -3.441 1.00 0.00 C ATOM 1419 O SER A 103 16.926 -1.855 -3.856 1.00 0.00 O ATOM 1420 CB SER A 103 18.326 -4.853 -3.611 1.00 0.00 C ATOM 1421 OG SER A 103 19.123 -5.761 -2.870 1.00 0.00 O ATOM 0 H SER A 103 17.219 -5.484 -1.544 1.00 0.00 H new ATOM 0 HA SER A 103 18.485 -3.116 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.537 -5.395 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.934 -4.364 -4.372 1.00 0.00 H new ATOM 0 HG SER A 103 19.509 -6.428 -3.476 1.00 0.00 H new ATOM 1427 N GLU A 104 15.465 -3.541 -3.598 1.00 0.00 N ATOM 1428 CA GLU A 104 14.369 -2.821 -4.238 1.00 0.00 C ATOM 1429 C GLU A 104 13.591 -2.020 -3.208 1.00 0.00 C ATOM 1430 O GLU A 104 12.906 -1.058 -3.548 1.00 0.00 O ATOM 1431 CB GLU A 104 13.433 -3.780 -4.977 1.00 0.00 C ATOM 1432 CG GLU A 104 14.042 -4.359 -6.241 1.00 0.00 C ATOM 1433 CD GLU A 104 13.113 -5.315 -6.962 1.00 0.00 C ATOM 1434 OE1 GLU A 104 13.019 -6.488 -6.545 1.00 0.00 O ATOM 1435 OE2 GLU A 104 12.478 -4.901 -7.954 1.00 0.00 O ATOM 0 H GLU A 104 15.230 -4.485 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 104 14.799 -2.137 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.158 -4.595 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.513 -3.254 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.310 -3.545 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.965 -4.880 -5.987 1.00 0.00 H new ATOM 1442 N ALA A 105 13.711 -2.416 -1.946 1.00 0.00 N ATOM 1443 CA ALA A 105 13.044 -1.725 -0.849 1.00 0.00 C ATOM 1444 C ALA A 105 13.510 -0.279 -0.751 1.00 0.00 C ATOM 1445 O ALA A 105 12.728 0.613 -0.429 1.00 0.00 O ATOM 1446 CB ALA A 105 13.294 -2.453 0.460 1.00 0.00 C ATOM 0 H ALA A 105 14.269 -3.219 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 105 11.973 -1.721 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.791 -1.927 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.906 -3.469 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.365 -2.486 0.659 1.00 0.00 H new ATOM 1452 N GLY A 106 14.789 -0.057 -1.038 1.00 0.00 N ATOM 1453 CA GLY A 106 15.326 1.294 -1.049 1.00 0.00 C ATOM 1454 C GLY A 106 14.753 2.142 -2.175 1.00 0.00 C ATOM 1455 O GLY A 106 14.832 3.369 -2.144 1.00 0.00 O ATOM 0 H GLY A 106 15.464 -0.788 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.113 1.773 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.411 1.249 -1.149 1.00 0.00 H new ATOM 1459 N ASN A 107 14.169 1.482 -3.167 1.00 0.00 N ATOM 1460 CA ASN A 107 13.566 2.169 -4.305 1.00 0.00 C ATOM 1461 C ASN A 107 12.115 2.533 -4.007 1.00 0.00 C ATOM 1462 O ASN A 107 11.627 3.586 -4.418 1.00 0.00 O ATOM 1463 CB ASN A 107 13.635 1.280 -5.555 1.00 0.00 C ATOM 1464 CG ASN A 107 12.821 1.828 -6.714 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.316 2.623 -7.511 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.568 1.396 -6.823 1.00 0.00 N ATOM 0 H ASN A 107 14.099 0.465 -3.207 1.00 0.00 H new ATOM 0 HA ASN A 107 14.124 3.087 -4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.675 1.177 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.276 0.282 -5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.980 1.725 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.195 0.736 -6.141 1.00 0.00 H new ATOM 1473 N TYR A 108 11.436 1.661 -3.282 1.00 0.00 N ATOM 1474 CA TYR A 108 10.008 1.813 -3.044 1.00 0.00 C ATOM 1475 C TYR A 108 9.718 2.913 -2.033 1.00 0.00 C ATOM 1476 O TYR A 108 10.121 2.827 -0.872 1.00 0.00 O ATOM 1477 CB TYR A 108 9.412 0.502 -2.551 1.00 0.00 C ATOM 1478 CG TYR A 108 9.545 -0.646 -3.523 1.00 0.00 C ATOM 1479 CD1 TYR A 108 9.218 -0.492 -4.861 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.990 -1.889 -3.097 1.00 0.00 C ATOM 1481 CE1 TYR A 108 9.330 -1.543 -5.747 1.00 0.00 C ATOM 1482 CE2 TYR A 108 10.100 -2.945 -3.976 1.00 0.00 C ATOM 1483 CZ TYR A 108 9.771 -2.768 -5.299 1.00 0.00 C ATOM 1484 OH TYR A 108 9.881 -3.817 -6.179 1.00 0.00 O ATOM 0 H TYR A 108 11.851 0.837 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 108 9.549 2.092 -3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.895 0.227 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.356 0.656 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.870 0.467 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.255 -2.032 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.073 -1.406 -6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.443 -3.908 -3.627 1.00 0.00 H new ATOM 0 HH TYR A 108 10.207 -4.610 -5.704 1.00 0.00 H new ATOM 1494 N ASN A 109 8.999 3.932 -2.482 1.00 0.00 N ATOM 1495 CA ASN A 109 8.628 5.053 -1.624 1.00 0.00 C ATOM 1496 C ASN A 109 7.462 4.664 -0.733 1.00 0.00 C ATOM 1497 O ASN A 109 6.628 3.851 -1.119 1.00 0.00 O ATOM 1498 CB ASN A 109 8.259 6.293 -2.454 1.00 0.00 C ATOM 1499 CG ASN A 109 9.458 6.927 -3.140 1.00 0.00 C ATOM 1500 OD1 ASN A 109 10.204 7.696 -2.527 1.00 0.00 O ATOM 1501 ND2 ASN A 109 9.633 6.647 -4.423 1.00 0.00 N ATOM 0 H ASN A 109 8.658 4.007 -3.441 1.00 0.00 H new ATOM 0 HA ASN A 109 9.490 5.302 -1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.522 6.013 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.787 7.030 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.405 7.072 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.996 6.006 -4.897 1.00 0.00 H new ATOM 1508 N TYR A 110 7.412 5.226 0.459 1.00 0.00 N ATOM 1509 CA TYR A 110 6.315 4.955 1.368 1.00 0.00 C ATOM 1510 C TYR A 110 5.855 6.258 2.011 1.00 0.00 C ATOM 1511 O TYR A 110 6.644 7.195 2.153 1.00 0.00 O ATOM 1512 CB TYR A 110 6.719 3.906 2.423 1.00 0.00 C ATOM 1513 CG TYR A 110 7.638 4.385 3.532 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.597 5.361 3.320 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.532 3.843 4.804 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.421 5.783 4.340 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.356 4.260 5.828 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.297 5.233 5.590 1.00 0.00 C ATOM 1519 OH TYR A 110 10.121 5.658 6.604 1.00 0.00 O ATOM 0 H TYR A 110 8.115 5.871 0.820 1.00 0.00 H new ATOM 0 HA TYR A 110 5.479 4.534 0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.811 3.512 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.205 3.076 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.701 5.799 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.791 3.081 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.163 6.546 4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.262 3.824 6.812 1.00 0.00 H new ATOM 0 HH TYR A 110 9.905 5.171 7.427 1.00 0.00 H new ATOM 1529 N ILE A 111 4.590 6.334 2.378 1.00 0.00 N ATOM 1530 CA ILE A 111 4.036 7.575 2.884 1.00 0.00 C ATOM 1531 C ILE A 111 3.758 7.489 4.383 1.00 0.00 C ATOM 1532 O ILE A 111 3.234 6.491 4.878 1.00 0.00 O ATOM 1533 CB ILE A 111 2.767 7.977 2.098 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.681 6.904 2.209 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.129 8.212 0.638 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.440 7.213 1.396 1.00 0.00 C ATOM 0 H ILE A 111 3.931 5.557 2.336 1.00 0.00 H new ATOM 0 HA ILE A 111 4.781 8.357 2.735 1.00 0.00 H new ATOM 0 HB ILE A 111 2.369 8.896 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.091 5.948 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.400 6.789 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.235 8.496 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.867 9.011 0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.545 7.298 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.287 6.410 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.006 8.153 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.707 7.299 0.343 1.00 0.00 H new ATOM 1548 N HIS A 112 4.157 8.531 5.098 1.00 0.00 N ATOM 1549 CA HIS A 112 4.059 8.571 6.551 1.00 0.00 C ATOM 1550 C HIS A 112 3.120 9.671 7.025 1.00 0.00 C ATOM 1551 O HIS A 112 3.007 10.717 6.390 1.00 0.00 O ATOM 1552 CB HIS A 112 5.443 8.816 7.156 1.00 0.00 C ATOM 1553 CG HIS A 112 6.040 7.620 7.820 1.00 0.00 C ATOM 1554 ND1 HIS A 112 5.833 7.327 9.152 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.857 6.649 7.343 1.00 0.00 C ATOM 1556 CE1 HIS A 112 6.493 6.231 9.469 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.121 5.798 8.393 1.00 0.00 N ATOM 0 H HIS A 112 4.558 9.374 4.687 1.00 0.00 H new ATOM 0 HA HIS A 112 3.661 7.610 6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.117 9.155 6.369 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.371 9.624 7.884 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.229 6.560 6.333 1.00 0.00 H new ATOM 0 HE1 HIS A 112 6.516 5.767 10.444 1.00 0.00 H new ATOM 0 HE2 HIS A 112 7.709 4.966 8.346 1.00 0.00 H new ATOM 1566 N ILE A 113 2.458 9.428 8.146 1.00 0.00 N ATOM 1567 CA ILE A 113 1.663 10.456 8.806 1.00 0.00 C ATOM 1568 C ILE A 113 2.550 11.262 9.747 1.00 0.00 C ATOM 1569 O ILE A 113 2.905 12.405 9.398 1.00 0.00 O ATOM 1570 CB ILE A 113 0.483 9.850 9.604 1.00 0.00 C ATOM 1571 CG1 ILE A 113 -0.516 9.181 8.659 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.213 10.917 10.443 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.181 10.141 7.696 1.00 0.00 C ATOM 1574 OXT ILE A 113 2.929 10.727 10.812 1.00 0.00 O ATOM 0 H ILE A 113 2.455 8.525 8.620 1.00 0.00 H new ATOM 0 HA ILE A 113 1.248 11.102 8.032 1.00 0.00 H new ATOM 0 HB ILE A 113 0.885 9.094 10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.001 8.407 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.284 8.683 9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.038 10.466 10.994 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.499 11.349 11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.598 11.700 9.790 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.876 9.594 7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.725 10.901 8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.422 10.621 7.078 1.00 0.00 H new