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= 0.13 X(o=0.12,f=0.12) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.128 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -0.135 K(o=0.12,f=-1.6) USER MOD Set 2.1: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 112:sc= 1.25 USER MOD Set 3.1: A 76 ASN : amide:sc= 1.84 K(o=2.6,f=1.4) USER MOD Set 3.2: A 82 THR OG1 : rot -9:sc= 0.797 USER MOD Set 4.1: A 55 LYS NZ :NH3+ -149:sc= 1.38 (180deg=0.953) USER MOD Set 4.2: A 74 SER OG : rot 180:sc= 0.00703 USER MOD Set 5.1: A 51 HIS : no HE2:sc= 0.0923 K(o=-0.33,f=-2.7) USER MOD Set 5.2: A 60 GLN : amide:sc= 0.0777 K(o=-0.33,f=-6.8!) USER MOD Set 5.3: A 62 SER OG : rot 180:sc= 0 USER MOD Set 5.4: A 109 ASN : amide:sc= -0.495 K(o=-0.33,f=-5.8!) USER MOD Set 6.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 30 SER OG : rot 68:sc= 0.282 USER MOD Set 7.1: A 15 GLN : amide:sc= 0.185 K(o=1.4,f=-3.8!) USER MOD Set 7.2: A 87 ASN : amide:sc= 1.19 K(o=1.4,f=-6.3!) USER MOD Set 8.1: A 11 TYR OH : rot 94:sc= 0.0345 USER MOD Set 8.2: A 16 CYS SG : rot -95:sc= -0.691 USER MOD Set 8.3: A 17 THR OG1 : rot 100:sc= 1.61 USER MOD Set 8.4: A 34 ASN : amide:sc= 0.0333 X(o=0.99,f=1.5) USER MOD Single : A 9 ASN : amide:sc= -2.9 K(o=-2.9,f=-11!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.91) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 37 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.8) USER MOD Single : A 43 GLN : amide:sc= 0.33 X(o=0.33,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.148! C(o=-0.15!,f=-5.7!) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 87:sc= 1.21 USER MOD Single : A 84 SER OG : rot 144:sc= 1.24 USER MOD Single : A 86 MET CE :methyl -176:sc= -0.348 (180deg=-0.414) USER MOD Single : A 88 TYR OH : rot 63:sc= 1.25 USER MOD Single : A 89 SER OG : rot -51:sc= 0.833 USER MOD Single : A 94 SER OG : rot 180:sc= 0 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= -0.414 K(o=-0.41,f=-1.1) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -15.172 1.810 3.035 1.00 0.00 N ATOM 99 CA ASN A 9 -14.200 2.628 2.326 1.00 0.00 C ATOM 100 C ASN A 9 -14.912 3.332 1.179 1.00 0.00 C ATOM 101 O ASN A 9 -16.006 2.927 0.791 1.00 0.00 O ATOM 102 CB ASN A 9 -13.065 1.739 1.786 1.00 0.00 C ATOM 103 CG ASN A 9 -11.813 2.495 1.356 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.848 3.678 1.031 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.694 1.792 1.322 1.00 0.00 N ATOM 0 HA ASN A 9 -13.765 3.367 2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.791 1.017 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.440 1.171 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.825 2.231 1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.700 0.810 1.599 1.00 0.00 H new ATOM 112 N LEU A 10 -14.306 4.384 0.657 1.00 0.00 N ATOM 113 CA LEU A 10 -14.817 5.058 -0.524 1.00 0.00 C ATOM 114 C LEU A 10 -14.548 4.199 -1.752 1.00 0.00 C ATOM 115 O LEU A 10 -15.118 4.411 -2.820 1.00 0.00 O ATOM 116 CB LEU A 10 -14.132 6.412 -0.683 1.00 0.00 C ATOM 117 CG LEU A 10 -14.300 7.373 0.496 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.555 8.673 0.239 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.775 7.645 0.758 1.00 0.00 C ATOM 0 H LEU A 10 -13.452 4.793 1.036 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.891 5.213 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.067 6.245 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.520 6.893 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.874 6.904 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.687 9.342 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.494 8.464 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.949 9.146 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.875 8.330 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.226 8.091 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.282 6.709 0.991 1.00 0.00 H new ATOM 131 N TYR A 11 -13.657 3.235 -1.574 1.00 0.00 N ATOM 132 CA TYR A 11 -13.283 2.312 -2.628 1.00 0.00 C ATOM 133 C TYR A 11 -14.255 1.140 -2.706 1.00 0.00 C ATOM 134 O TYR A 11 -15.271 1.118 -2.015 1.00 0.00 O ATOM 135 CB TYR A 11 -11.858 1.809 -2.394 1.00 0.00 C ATOM 136 CG TYR A 11 -10.871 2.322 -3.411 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.688 1.664 -4.618 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.119 3.463 -3.161 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.783 2.127 -5.550 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.210 3.930 -4.087 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.045 3.260 -5.278 1.00 0.00 C ATOM 142 OH TYR A 11 -8.126 3.714 -6.190 1.00 0.00 O ATOM 0 H TYR A 11 -13.173 3.073 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.325 2.842 -3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.533 2.110 -1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.857 0.719 -2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.263 0.775 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.248 3.992 -2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.653 1.606 -6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.630 4.817 -3.879 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.542 4.389 -6.765 1.00 0.00 H new ATOM 152 N THR A 12 -13.926 0.165 -3.542 1.00 0.00 N ATOM 153 CA THR A 12 -14.820 -0.954 -3.811 1.00 0.00 C ATOM 154 C THR A 12 -14.805 -1.979 -2.670 1.00 0.00 C ATOM 155 O THR A 12 -15.508 -1.824 -1.670 1.00 0.00 O ATOM 156 CB THR A 12 -14.433 -1.643 -5.137 1.00 0.00 C ATOM 157 OG1 THR A 12 -14.283 -0.663 -6.173 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.478 -2.661 -5.556 1.00 0.00 C ATOM 0 H THR A 12 -13.041 0.126 -4.048 1.00 0.00 H new ATOM 0 HA THR A 12 -15.830 -0.553 -3.891 1.00 0.00 H new ATOM 0 HB THR A 12 -13.488 -2.163 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.036 -1.108 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.176 -3.128 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.572 -3.425 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 12 -16.438 -2.162 -5.692 1.00 0.00 H new ATOM 166 N ALA A 13 -13.978 -3.011 -2.821 1.00 0.00 N ATOM 167 CA ALA A 13 -13.893 -4.094 -1.857 1.00 0.00 C ATOM 168 C ALA A 13 -12.808 -5.069 -2.274 1.00 0.00 C ATOM 169 O ALA A 13 -12.855 -5.625 -3.369 1.00 0.00 O ATOM 170 CB ALA A 13 -15.227 -4.823 -1.732 1.00 0.00 C ATOM 0 H ALA A 13 -13.349 -3.116 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.646 -3.668 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.134 -5.629 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.995 -4.123 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.506 -5.239 -2.700 1.00 0.00 H new ATOM 176 N GLY A 14 -11.826 -5.254 -1.411 1.00 0.00 N ATOM 177 CA GLY A 14 -10.740 -6.165 -1.706 1.00 0.00 C ATOM 178 C GLY A 14 -9.787 -5.621 -2.748 1.00 0.00 C ATOM 179 O GLY A 14 -9.125 -6.383 -3.446 1.00 0.00 O ATOM 0 H GLY A 14 -11.759 -4.788 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.188 -6.375 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.151 -7.112 -2.055 1.00 0.00 H new ATOM 183 N GLN A 15 -9.719 -4.300 -2.858 1.00 0.00 N ATOM 184 CA GLN A 15 -8.815 -3.662 -3.809 1.00 0.00 C ATOM 185 C GLN A 15 -7.515 -3.272 -3.111 1.00 0.00 C ATOM 186 O GLN A 15 -7.465 -3.237 -1.882 1.00 0.00 O ATOM 187 CB GLN A 15 -9.476 -2.427 -4.430 1.00 0.00 C ATOM 188 CG GLN A 15 -10.811 -2.707 -5.108 1.00 0.00 C ATOM 189 CD GLN A 15 -10.734 -3.839 -6.117 1.00 0.00 C ATOM 190 OE1 GLN A 15 -10.963 -4.998 -5.782 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.398 -3.515 -7.354 1.00 0.00 N ATOM 0 H GLN A 15 -10.277 -3.651 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.589 -4.370 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.627 -1.679 -3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.794 -1.993 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.554 -2.953 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.155 -1.802 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.215 -2.541 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.321 -4.239 -8.068 1.00 0.00 H new ATOM 200 N CYS A 16 -6.474 -2.966 -3.885 1.00 0.00 N ATOM 201 CA CYS A 16 -5.171 -2.627 -3.308 1.00 0.00 C ATOM 202 C CYS A 16 -5.282 -1.403 -2.408 1.00 0.00 C ATOM 203 O CYS A 16 -5.015 -1.474 -1.210 1.00 0.00 O ATOM 204 CB CYS A 16 -4.125 -2.390 -4.404 1.00 0.00 C ATOM 205 SG CYS A 16 -4.580 -1.141 -5.633 1.00 0.00 S ATOM 0 H CYS A 16 -6.505 -2.945 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.844 -3.474 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.188 -2.092 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.938 -3.333 -4.918 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.112 -1.723 -6.667 1.00 0.00 H new ATOM 211 N THR A 17 -5.729 -0.300 -2.984 1.00 0.00 N ATOM 212 CA THR A 17 -5.860 0.953 -2.265 1.00 0.00 C ATOM 213 C THR A 17 -7.100 0.950 -1.359 1.00 0.00 C ATOM 214 O THR A 17 -7.417 1.941 -0.702 1.00 0.00 O ATOM 215 CB THR A 17 -5.917 2.116 -3.272 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.753 1.748 -4.374 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.525 2.450 -3.784 1.00 0.00 C ATOM 0 H THR A 17 -6.011 -0.249 -3.963 1.00 0.00 H new ATOM 0 HA THR A 17 -4.991 1.080 -1.620 1.00 0.00 H new ATOM 0 HB THR A 17 -6.325 2.994 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.643 2.140 -4.254 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.587 3.274 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.889 2.739 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.100 1.576 -4.278 1.00 0.00 H new ATOM 225 N TRP A 18 -7.788 -0.188 -1.331 1.00 0.00 N ATOM 226 CA TRP A 18 -8.914 -0.399 -0.433 1.00 0.00 C ATOM 227 C TRP A 18 -8.423 -1.104 0.832 1.00 0.00 C ATOM 228 O TRP A 18 -8.666 -0.651 1.953 1.00 0.00 O ATOM 229 CB TRP A 18 -9.980 -1.250 -1.134 1.00 0.00 C ATOM 230 CG TRP A 18 -11.218 -1.496 -0.322 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.364 -0.756 -0.336 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.440 -2.559 0.615 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.284 -1.297 0.527 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.741 -2.400 1.125 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.668 -3.632 1.073 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.286 -3.268 2.068 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.211 -4.492 2.009 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.510 -4.307 2.495 1.00 0.00 C ATOM 0 H TRP A 18 -7.579 -0.987 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.354 0.560 -0.161 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.264 -0.759 -2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.540 -2.211 -1.402 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.524 0.126 -0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.222 -0.934 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.666 -3.786 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.287 -3.124 2.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.622 -5.322 2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.907 -5.000 3.222 1.00 0.00 H new ATOM 249 N TYR A 19 -7.709 -2.208 0.623 1.00 0.00 N ATOM 250 CA TYR A 19 -7.189 -3.029 1.710 1.00 0.00 C ATOM 251 C TYR A 19 -6.189 -2.245 2.552 1.00 0.00 C ATOM 252 O TYR A 19 -6.246 -2.272 3.780 1.00 0.00 O ATOM 253 CB TYR A 19 -6.539 -4.287 1.125 1.00 0.00 C ATOM 254 CG TYR A 19 -5.897 -5.207 2.141 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.667 -5.971 3.012 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.516 -5.330 2.208 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.073 -6.832 3.918 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.917 -6.185 3.112 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.698 -6.935 3.963 1.00 0.00 C ATOM 260 OH TYR A 19 -4.101 -7.793 4.857 1.00 0.00 O ATOM 0 H TYR A 19 -7.475 -2.557 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.011 -3.320 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.296 -4.848 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.782 -3.984 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.744 -5.891 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.899 -4.746 1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.683 -7.421 4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.841 -6.265 3.151 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.127 -7.745 4.757 1.00 0.00 H new ATOM 270 N VAL A 20 -5.280 -1.544 1.880 1.00 0.00 N ATOM 271 CA VAL A 20 -4.303 -0.694 2.563 1.00 0.00 C ATOM 272 C VAL A 20 -5.002 0.296 3.496 1.00 0.00 C ATOM 273 O VAL A 20 -4.569 0.517 4.628 1.00 0.00 O ATOM 274 CB VAL A 20 -3.442 0.102 1.555 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.465 1.017 2.280 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.694 -0.834 0.617 1.00 0.00 C ATOM 0 H VAL A 20 -5.198 -1.546 0.863 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.658 -1.355 3.141 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.114 0.719 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.871 1.566 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.019 1.721 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.805 0.419 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.096 -0.248 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.040 -1.484 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.409 -1.441 0.062 1.00 0.00 H new ATOM 286 N TYR A 21 -6.103 0.861 3.019 1.00 0.00 N ATOM 287 CA TYR A 21 -6.821 1.890 3.753 1.00 0.00 C ATOM 288 C TYR A 21 -7.469 1.321 5.014 1.00 0.00 C ATOM 289 O TYR A 21 -7.423 1.941 6.079 1.00 0.00 O ATOM 290 CB TYR A 21 -7.881 2.535 2.856 1.00 0.00 C ATOM 291 CG TYR A 21 -8.539 3.743 3.472 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.863 4.948 3.564 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.835 3.678 3.963 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.456 6.057 4.131 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.440 4.782 4.529 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.745 5.972 4.614 1.00 0.00 C ATOM 297 OH TYR A 21 -10.341 7.075 5.183 1.00 0.00 O ATOM 0 H TYR A 21 -6.520 0.620 2.120 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.103 2.650 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.419 2.825 1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.646 1.795 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.854 5.021 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.380 2.748 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.913 6.988 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.451 4.715 4.903 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.249 6.844 5.470 1.00 0.00 H new ATOM 307 N ASP A 22 -8.067 0.143 4.899 1.00 0.00 N ATOM 308 CA ASP A 22 -8.703 -0.491 6.051 1.00 0.00 C ATOM 309 C ASP A 22 -7.654 -0.971 7.055 1.00 0.00 C ATOM 310 O ASP A 22 -7.859 -0.893 8.265 1.00 0.00 O ATOM 311 CB ASP A 22 -9.595 -1.656 5.616 1.00 0.00 C ATOM 312 CG ASP A 22 -10.253 -2.347 6.796 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.124 -1.727 7.448 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.901 -3.509 7.078 1.00 0.00 O ATOM 0 H ASP A 22 -8.126 -0.390 4.031 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.331 0.256 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.365 -1.288 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.999 -2.380 5.060 1.00 0.00 H new ATOM 319 N LYS A 23 -6.515 -1.435 6.545 1.00 0.00 N ATOM 320 CA LYS A 23 -5.431 -1.926 7.397 1.00 0.00 C ATOM 321 C LYS A 23 -4.849 -0.818 8.269 1.00 0.00 C ATOM 322 O LYS A 23 -4.428 -1.066 9.399 1.00 0.00 O ATOM 323 CB LYS A 23 -4.327 -2.555 6.550 1.00 0.00 C ATOM 324 CG LYS A 23 -4.712 -3.892 5.942 1.00 0.00 C ATOM 325 CD LYS A 23 -4.863 -4.974 7.003 1.00 0.00 C ATOM 326 CE LYS A 23 -3.531 -5.308 7.654 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.639 -6.425 8.630 1.00 0.00 N ATOM 0 H LYS A 23 -6.318 -1.482 5.545 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.855 -2.684 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.058 -1.866 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.439 -2.689 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.649 -3.786 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.954 -4.195 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.568 -4.642 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.283 -5.872 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.809 -5.573 6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.146 -4.423 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.687 -6.761 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.125 -6.092 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.181 -7.205 8.206 1.00 0.00 H new ATOM 341 N VAL A 24 -4.822 0.404 7.751 1.00 0.00 N ATOM 342 CA VAL A 24 -4.337 1.540 8.528 1.00 0.00 C ATOM 343 C VAL A 24 -5.468 2.153 9.351 1.00 0.00 C ATOM 344 O VAL A 24 -5.288 3.173 10.015 1.00 0.00 O ATOM 345 CB VAL A 24 -3.694 2.628 7.638 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.512 2.059 6.869 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.712 3.232 6.684 1.00 0.00 C ATOM 0 H VAL A 24 -5.127 0.634 6.805 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.566 1.156 9.196 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.334 3.424 8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.072 2.839 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.765 1.690 7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.851 1.239 6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.230 3.994 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.115 2.451 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.522 3.685 7.255 1.00 0.00 H new ATOM 357 N GLY A 25 -6.639 1.523 9.290 1.00 0.00 N ATOM 358 CA GLY A 25 -7.778 1.969 10.072 1.00 0.00 C ATOM 359 C GLY A 25 -8.299 3.322 9.640 1.00 0.00 C ATOM 360 O GLY A 25 -8.898 4.045 10.435 1.00 0.00 O ATOM 0 H GLY A 25 -6.819 0.705 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.579 1.234 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.494 2.014 11.124 1.00 0.00 H new ATOM 364 N GLY A 26 -8.072 3.668 8.382 1.00 0.00 N ATOM 365 CA GLY A 26 -8.503 4.959 7.881 1.00 0.00 C ATOM 366 C GLY A 26 -7.633 6.096 8.383 1.00 0.00 C ATOM 367 O GLY A 26 -8.067 7.247 8.417 1.00 0.00 O ATOM 0 H GLY A 26 -7.597 3.079 7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.486 4.946 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.536 5.136 8.182 1.00 0.00 H new ATOM 371 N GLU A 27 -6.408 5.774 8.790 1.00 0.00 N ATOM 372 CA GLU A 27 -5.453 6.789 9.224 1.00 0.00 C ATOM 373 C GLU A 27 -5.050 7.658 8.040 1.00 0.00 C ATOM 374 O GLU A 27 -5.042 8.887 8.121 1.00 0.00 O ATOM 375 CB GLU A 27 -4.213 6.125 9.833 1.00 0.00 C ATOM 376 CG GLU A 27 -3.166 7.107 10.344 1.00 0.00 C ATOM 377 CD GLU A 27 -3.626 7.880 11.562 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.264 8.940 11.395 1.00 0.00 O ATOM 379 OE2 GLU A 27 -3.341 7.436 12.694 1.00 0.00 O ATOM 0 H GLU A 27 -6.054 4.818 8.828 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.923 7.414 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.526 5.483 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.755 5.480 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.254 6.563 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.915 7.809 9.549 1.00 0.00 H new ATOM 386 N ILE A 28 -4.723 7.005 6.937 1.00 0.00 N ATOM 387 CA ILE A 28 -4.334 7.696 5.721 1.00 0.00 C ATOM 388 C ILE A 28 -5.061 7.080 4.537 1.00 0.00 C ATOM 389 O ILE A 28 -5.338 5.881 4.546 1.00 0.00 O ATOM 390 CB ILE A 28 -2.786 7.638 5.480 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.413 6.730 4.293 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.057 7.160 6.730 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.410 5.243 4.608 1.00 0.00 C ATOM 0 H ILE A 28 -4.720 5.988 6.860 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.609 8.745 5.830 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.473 8.654 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.114 6.914 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.424 7.013 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.985 7.129 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.257 7.846 7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.407 6.163 6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.136 4.682 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.688 5.040 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.404 4.939 4.937 1.00 0.00 H new ATOM 405 N GLY A 29 -5.409 7.886 3.545 1.00 0.00 N ATOM 406 CA GLY A 29 -5.882 7.316 2.305 1.00 0.00 C ATOM 407 C GLY A 29 -7.018 8.071 1.660 1.00 0.00 C ATOM 408 O GLY A 29 -7.352 9.183 2.072 1.00 0.00 O ATOM 0 H GLY A 29 -5.373 8.905 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.050 7.267 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.203 6.291 2.491 1.00 0.00 H new ATOM 412 N SER A 30 -7.592 7.442 0.631 1.00 0.00 N ATOM 413 CA SER A 30 -8.697 7.995 -0.157 1.00 0.00 C ATOM 414 C SER A 30 -8.224 9.138 -1.060 1.00 0.00 C ATOM 415 O SER A 30 -8.484 9.138 -2.264 1.00 0.00 O ATOM 416 CB SER A 30 -9.849 8.458 0.744 1.00 0.00 C ATOM 417 OG SER A 30 -10.289 7.411 1.593 1.00 0.00 O ATOM 0 H SER A 30 -7.297 6.518 0.317 1.00 0.00 H new ATOM 0 HA SER A 30 -9.069 7.194 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.524 9.306 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.679 8.804 0.128 1.00 0.00 H new ATOM 0 HG SER A 30 -9.591 7.208 2.250 1.00 0.00 H new ATOM 423 N THR A 31 -7.506 10.088 -0.481 1.00 0.00 N ATOM 424 CA THR A 31 -7.053 11.268 -1.201 1.00 0.00 C ATOM 425 C THR A 31 -5.808 10.988 -2.041 1.00 0.00 C ATOM 426 O THR A 31 -5.441 11.786 -2.901 1.00 0.00 O ATOM 427 CB THR A 31 -6.752 12.406 -0.209 1.00 0.00 C ATOM 428 OG1 THR A 31 -5.994 11.887 0.892 1.00 0.00 O ATOM 429 CG2 THR A 31 -8.038 13.036 0.306 1.00 0.00 C ATOM 0 H THR A 31 -7.222 10.063 0.498 1.00 0.00 H new ATOM 0 HA THR A 31 -7.856 11.561 -1.878 1.00 0.00 H new ATOM 0 HB THR A 31 -6.179 13.175 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.799 12.610 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.796 13.837 1.005 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.604 13.444 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.636 12.279 0.814 1.00 0.00 H new ATOM 437 N TRP A 32 -5.176 9.838 -1.814 1.00 0.00 N ATOM 438 CA TRP A 32 -3.920 9.511 -2.489 1.00 0.00 C ATOM 439 C TRP A 32 -4.134 9.112 -3.955 1.00 0.00 C ATOM 440 O TRP A 32 -3.171 8.894 -4.691 1.00 0.00 O ATOM 441 CB TRP A 32 -3.189 8.395 -1.743 1.00 0.00 C ATOM 442 CG TRP A 32 -3.974 7.127 -1.656 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.782 6.607 -2.611 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.005 6.215 -0.567 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.333 5.444 -2.192 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.873 5.167 -0.929 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.387 6.187 0.678 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.138 4.096 -0.081 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.647 5.121 1.520 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.518 4.089 1.138 1.00 0.00 C ATOM 0 H TRP A 32 -5.510 9.120 -1.171 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.308 10.413 -2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.242 8.194 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.951 8.736 -0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.962 7.059 -3.575 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.983 4.868 -2.727 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.719 6.980 0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.808 3.301 -0.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.171 5.082 2.489 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.702 3.273 1.821 1.00 0.00 H new ATOM 461 N GLY A 33 -5.388 9.003 -4.372 1.00 0.00 N ATOM 462 CA GLY A 33 -5.669 8.585 -5.728 1.00 0.00 C ATOM 463 C GLY A 33 -5.532 7.090 -5.907 1.00 0.00 C ATOM 464 O GLY A 33 -6.142 6.309 -5.176 1.00 0.00 O ATOM 0 H GLY A 33 -6.210 9.195 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.680 8.890 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.989 9.094 -6.411 1.00 0.00 H new ATOM 468 N ASN A 34 -4.734 6.692 -6.888 1.00 0.00 N ATOM 469 CA ASN A 34 -4.421 5.290 -7.088 1.00 0.00 C ATOM 470 C ASN A 34 -2.970 5.033 -6.719 1.00 0.00 C ATOM 471 O ASN A 34 -2.250 5.952 -6.337 1.00 0.00 O ATOM 472 CB ASN A 34 -4.645 4.874 -8.538 1.00 0.00 C ATOM 473 CG ASN A 34 -6.038 5.180 -9.045 1.00 0.00 C ATOM 474 OD1 ASN A 34 -7.016 5.085 -8.312 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.130 5.569 -10.303 1.00 0.00 N ATOM 0 H ASN A 34 -4.293 7.323 -7.557 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.083 4.704 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.917 5.382 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.459 3.804 -8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.040 5.804 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.291 5.635 -10.879 1.00 0.00 H new ATOM 482 N ALA A 35 -2.531 3.795 -6.888 1.00 0.00 N ATOM 483 CA ALA A 35 -1.197 3.381 -6.468 1.00 0.00 C ATOM 484 C ALA A 35 -0.089 4.090 -7.251 1.00 0.00 C ATOM 485 O ALA A 35 1.043 4.206 -6.778 1.00 0.00 O ATOM 486 CB ALA A 35 -1.071 1.876 -6.610 1.00 0.00 C ATOM 0 H ALA A 35 -3.083 3.052 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.071 3.668 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.075 1.563 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.818 1.388 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.229 1.594 -7.651 1.00 0.00 H new ATOM 492 N ASN A 36 -0.409 4.557 -8.450 1.00 0.00 N ATOM 493 CA ASN A 36 0.578 5.220 -9.300 1.00 0.00 C ATOM 494 C ASN A 36 0.651 6.710 -8.991 1.00 0.00 C ATOM 495 O ASN A 36 1.628 7.381 -9.319 1.00 0.00 O ATOM 496 CB ASN A 36 0.229 5.004 -10.775 1.00 0.00 C ATOM 497 CG ASN A 36 1.328 5.454 -11.724 1.00 0.00 C ATOM 498 OD1 ASN A 36 2.511 5.464 -11.376 1.00 0.00 O ATOM 499 ND2 ASN A 36 0.942 5.819 -12.936 1.00 0.00 N ATOM 0 H ASN A 36 -1.342 4.491 -8.858 1.00 0.00 H new ATOM 0 HA ASN A 36 1.555 4.782 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.025 3.946 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.687 5.546 -11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.633 6.123 -13.622 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.047 5.796 -13.185 1.00 0.00 H new ATOM 506 N ASN A 37 -0.379 7.221 -8.338 1.00 0.00 N ATOM 507 CA ASN A 37 -0.451 8.639 -8.010 1.00 0.00 C ATOM 508 C ASN A 37 -0.240 8.837 -6.513 1.00 0.00 C ATOM 509 O ASN A 37 -0.369 9.944 -5.993 1.00 0.00 O ATOM 510 CB ASN A 37 -1.814 9.206 -8.430 1.00 0.00 C ATOM 511 CG ASN A 37 -1.861 10.723 -8.381 1.00 0.00 C ATOM 512 OD1 ASN A 37 -0.866 11.400 -8.644 1.00 0.00 O ATOM 513 ND2 ASN A 37 -3.017 11.267 -8.035 1.00 0.00 N ATOM 0 H ASN A 37 -1.181 6.675 -8.023 1.00 0.00 H new ATOM 0 HA ASN A 37 0.333 9.169 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.045 8.872 -9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.587 8.802 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.107 12.281 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.818 10.672 -7.825 1.00 0.00 H new ATOM 520 N TRP A 38 0.116 7.745 -5.840 1.00 0.00 N ATOM 521 CA TRP A 38 0.203 7.710 -4.384 1.00 0.00 C ATOM 522 C TRP A 38 1.065 8.819 -3.815 1.00 0.00 C ATOM 523 O TRP A 38 0.546 9.757 -3.226 1.00 0.00 O ATOM 524 CB TRP A 38 0.756 6.377 -3.909 1.00 0.00 C ATOM 525 CG TRP A 38 -0.230 5.600 -3.128 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.510 5.300 -3.477 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.006 5.025 -1.852 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.102 4.577 -2.487 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.197 4.394 -1.468 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.093 4.984 -0.995 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.319 3.733 -0.251 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.971 4.329 0.203 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.226 3.715 0.566 1.00 0.00 C ATOM 0 H TRP A 38 0.352 6.860 -6.290 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.816 7.852 -4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.074 5.791 -4.772 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.642 6.552 -3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.986 5.592 -4.402 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.060 4.228 -2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.023 5.459 -1.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.243 3.253 0.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.815 4.288 0.875 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.291 3.211 1.519 1.00 0.00 H new ATOM 544 N ALA A 39 2.377 8.703 -3.990 1.00 0.00 N ATOM 545 CA ALA A 39 3.314 9.657 -3.407 1.00 0.00 C ATOM 546 C ALA A 39 2.939 11.092 -3.762 1.00 0.00 C ATOM 547 O ALA A 39 3.049 11.991 -2.933 1.00 0.00 O ATOM 548 CB ALA A 39 4.736 9.351 -3.852 1.00 0.00 C ATOM 0 H ALA A 39 2.816 7.958 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 39 3.259 9.556 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.420 10.073 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.010 8.346 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.799 9.414 -4.938 1.00 0.00 H new ATOM 554 N ALA A 40 2.476 11.299 -4.987 1.00 0.00 N ATOM 555 CA ALA A 40 2.066 12.625 -5.439 1.00 0.00 C ATOM 556 C ALA A 40 0.882 13.149 -4.622 1.00 0.00 C ATOM 557 O ALA A 40 0.962 14.221 -4.015 1.00 0.00 O ATOM 558 CB ALA A 40 1.721 12.591 -6.920 1.00 0.00 C ATOM 0 H ALA A 40 2.374 10.565 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 40 2.901 13.309 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.417 13.586 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.594 12.274 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.904 11.889 -7.087 1.00 0.00 H new ATOM 564 N ALA A 41 -0.204 12.386 -4.594 1.00 0.00 N ATOM 565 CA ALA A 41 -1.413 12.794 -3.884 1.00 0.00 C ATOM 566 C ALA A 41 -1.197 12.781 -2.373 1.00 0.00 C ATOM 567 O ALA A 41 -1.713 13.635 -1.652 1.00 0.00 O ATOM 568 CB ALA A 41 -2.574 11.894 -4.268 1.00 0.00 C ATOM 0 H ALA A 41 -0.273 11.479 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.651 13.817 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.470 12.208 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.749 11.965 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.337 10.863 -4.006 1.00 0.00 H new ATOM 574 N ALA A 42 -0.421 11.810 -1.908 1.00 0.00 N ATOM 575 CA ALA A 42 -0.045 11.714 -0.503 1.00 0.00 C ATOM 576 C ALA A 42 0.623 13.007 -0.033 1.00 0.00 C ATOM 577 O ALA A 42 0.278 13.548 1.015 1.00 0.00 O ATOM 578 CB ALA A 42 0.901 10.545 -0.302 1.00 0.00 C ATOM 0 H ALA A 42 -0.035 11.068 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.948 11.556 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.179 10.478 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.408 9.622 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.797 10.694 -0.905 1.00 0.00 H new ATOM 584 N GLN A 43 1.581 13.498 -0.823 1.00 0.00 N ATOM 585 CA GLN A 43 2.280 14.748 -0.514 1.00 0.00 C ATOM 586 C GLN A 43 1.309 15.922 -0.515 1.00 0.00 C ATOM 587 O GLN A 43 1.460 16.868 0.260 1.00 0.00 O ATOM 588 CB GLN A 43 3.404 15.006 -1.520 1.00 0.00 C ATOM 589 CG GLN A 43 4.564 14.029 -1.417 1.00 0.00 C ATOM 590 CD GLN A 43 5.582 14.232 -2.517 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.531 15.003 -2.372 1.00 0.00 O ATOM 592 NE2 GLN A 43 5.390 13.540 -3.627 1.00 0.00 N ATOM 0 H GLN A 43 1.891 13.047 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 43 2.715 14.650 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.992 14.960 -2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.781 16.018 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.050 14.146 -0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.183 13.009 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.590 12.912 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.042 13.634 -4.406 1.00 0.00 H new ATOM 601 N GLY A 44 0.306 15.851 -1.381 1.00 0.00 N ATOM 602 CA GLY A 44 -0.723 16.871 -1.409 1.00 0.00 C ATOM 603 C GLY A 44 -1.553 16.859 -0.141 1.00 0.00 C ATOM 604 O GLY A 44 -1.979 17.905 0.346 1.00 0.00 O ATOM 0 H GLY A 44 0.187 15.104 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.262 17.851 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.371 16.712 -2.271 1.00 0.00 H new ATOM 608 N ALA A 45 -1.766 15.665 0.400 1.00 0.00 N ATOM 609 CA ALA A 45 -2.471 15.508 1.666 1.00 0.00 C ATOM 610 C ALA A 45 -1.543 15.817 2.839 1.00 0.00 C ATOM 611 O ALA A 45 -1.973 15.883 3.991 1.00 0.00 O ATOM 612 CB ALA A 45 -3.034 14.098 1.782 1.00 0.00 C ATOM 0 H ALA A 45 -1.459 14.788 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.300 16.215 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.558 13.993 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.728 13.915 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.219 13.376 1.736 1.00 0.00 H new ATOM 618 N GLY A 46 -0.263 15.990 2.539 1.00 0.00 N ATOM 619 CA GLY A 46 0.691 16.392 3.550 1.00 0.00 C ATOM 620 C GLY A 46 1.467 15.231 4.142 1.00 0.00 C ATOM 621 O GLY A 46 2.091 15.375 5.195 1.00 0.00 O ATOM 0 H GLY A 46 0.132 15.858 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.392 17.104 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.164 16.912 4.350 1.00 0.00 H new ATOM 625 N PHE A 47 1.439 14.083 3.480 1.00 0.00 N ATOM 626 CA PHE A 47 2.170 12.918 3.968 1.00 0.00 C ATOM 627 C PHE A 47 3.658 13.082 3.679 1.00 0.00 C ATOM 628 O PHE A 47 4.046 13.757 2.724 1.00 0.00 O ATOM 629 CB PHE A 47 1.686 11.618 3.311 1.00 0.00 C ATOM 630 CG PHE A 47 0.217 11.303 3.459 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.626 12.078 4.240 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.319 10.215 2.787 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.972 11.771 4.341 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.658 9.904 2.880 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.486 10.683 3.658 1.00 0.00 C ATOM 0 H PHE A 47 0.924 13.932 2.612 1.00 0.00 H new ATOM 0 HA PHE A 47 1.990 12.852 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.921 11.663 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.258 10.789 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.229 12.929 4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.326 9.599 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.621 12.380 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.056 9.054 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.537 10.444 3.735 1.00 0.00 H new ATOM 645 N THR A 48 4.481 12.463 4.504 1.00 0.00 N ATOM 646 CA THR A 48 5.919 12.458 4.292 1.00 0.00 C ATOM 647 C THR A 48 6.323 11.164 3.600 1.00 0.00 C ATOM 648 O THR A 48 6.258 10.089 4.201 1.00 0.00 O ATOM 649 CB THR A 48 6.684 12.573 5.625 1.00 0.00 C ATOM 650 OG1 THR A 48 6.094 13.599 6.438 1.00 0.00 O ATOM 651 CG2 THR A 48 8.151 12.901 5.380 1.00 0.00 C ATOM 0 H THR A 48 4.177 11.953 5.333 1.00 0.00 H new ATOM 0 HA THR A 48 6.172 13.318 3.672 1.00 0.00 H new ATOM 0 HB THR A 48 6.621 11.614 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.583 13.667 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.671 12.977 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.605 12.111 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.228 13.849 4.848 1.00 0.00 H new ATOM 659 N VAL A 49 6.708 11.247 2.337 1.00 0.00 N ATOM 660 CA VAL A 49 7.058 10.050 1.597 1.00 0.00 C ATOM 661 C VAL A 49 8.573 9.902 1.490 1.00 0.00 C ATOM 662 O VAL A 49 9.290 10.841 1.134 1.00 0.00 O ATOM 663 CB VAL A 49 6.384 10.001 0.191 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.156 10.898 0.144 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.349 10.342 -0.941 1.00 0.00 C ATOM 0 H VAL A 49 6.785 12.117 1.811 1.00 0.00 H new ATOM 0 HA VAL A 49 6.669 9.201 2.159 1.00 0.00 H new ATOM 0 HB VAL A 49 6.070 8.969 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.705 10.846 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.434 10.565 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.448 11.927 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.824 10.292 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.740 11.349 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.174 9.629 -0.943 1.00 0.00 H new ATOM 675 N ASN A 50 9.049 8.733 1.871 1.00 0.00 N ATOM 676 CA ASN A 50 10.432 8.356 1.683 1.00 0.00 C ATOM 677 C ASN A 50 10.395 7.057 0.906 1.00 0.00 C ATOM 678 O ASN A 50 9.553 6.890 0.025 1.00 0.00 O ATOM 679 CB ASN A 50 11.148 8.127 3.027 1.00 0.00 C ATOM 680 CG ASN A 50 10.845 9.174 4.084 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.666 10.354 3.787 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.774 8.732 5.334 1.00 0.00 N ATOM 0 H ASN A 50 8.482 8.015 2.322 1.00 0.00 H new ATOM 0 HA ASN A 50 10.978 9.145 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.867 7.147 3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.224 8.105 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.564 9.380 6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.930 7.744 5.535 1.00 0.00 H new ATOM 689 N HIS A 51 11.261 6.128 1.250 1.00 0.00 N ATOM 690 CA HIS A 51 11.149 4.774 0.735 1.00 0.00 C ATOM 691 C HIS A 51 11.905 3.778 1.599 1.00 0.00 C ATOM 692 O HIS A 51 13.085 3.499 1.384 1.00 0.00 O ATOM 693 CB HIS A 51 11.571 4.661 -0.743 1.00 0.00 C ATOM 694 CG HIS A 51 12.784 5.442 -1.148 1.00 0.00 C ATOM 695 ND1 HIS A 51 12.771 6.316 -2.209 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.049 5.451 -0.671 1.00 0.00 C ATOM 697 CE1 HIS A 51 13.974 6.827 -2.371 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.771 6.320 -1.450 1.00 0.00 N ATOM 0 H HIS A 51 12.048 6.281 1.881 1.00 0.00 H new ATOM 0 HA HIS A 51 10.090 4.520 0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.750 3.610 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.734 4.982 -1.363 1.00 0.00 H new ATOM 0 HD1 HIS A 51 11.956 6.535 -2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.422 4.881 0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.260 7.541 -3.130 1.00 0.00 H new ATOM 707 N THR A 52 11.208 3.262 2.599 1.00 0.00 N ATOM 708 CA THR A 52 11.756 2.265 3.508 1.00 0.00 C ATOM 709 C THR A 52 10.616 1.479 4.153 1.00 0.00 C ATOM 710 O THR A 52 10.058 1.910 5.158 1.00 0.00 O ATOM 711 CB THR A 52 12.618 2.915 4.617 1.00 0.00 C ATOM 712 OG1 THR A 52 13.604 3.778 4.035 1.00 0.00 O ATOM 713 CG2 THR A 52 13.313 1.855 5.463 1.00 0.00 C ATOM 0 H THR A 52 10.244 3.523 2.805 1.00 0.00 H new ATOM 0 HA THR A 52 12.394 1.599 2.927 1.00 0.00 H new ATOM 0 HB THR A 52 11.955 3.496 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.143 4.185 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.912 2.340 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.565 1.216 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.960 1.250 4.828 1.00 0.00 H new ATOM 721 N PRO A 53 10.223 0.341 3.557 1.00 0.00 N ATOM 722 CA PRO A 53 9.121 -0.485 4.067 1.00 0.00 C ATOM 723 C PRO A 53 9.294 -0.875 5.537 1.00 0.00 C ATOM 724 O PRO A 53 10.395 -1.200 5.983 1.00 0.00 O ATOM 725 CB PRO A 53 9.154 -1.734 3.175 1.00 0.00 C ATOM 726 CG PRO A 53 10.472 -1.686 2.476 1.00 0.00 C ATOM 727 CD PRO A 53 10.808 -0.235 2.336 1.00 0.00 C ATOM 0 HA PRO A 53 8.175 0.056 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.057 -2.643 3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.330 -1.729 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.237 -2.211 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.415 -2.170 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.884 -0.070 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.375 0.198 1.434 1.00 0.00 H new ATOM 735 N SER A 54 8.189 -0.860 6.273 1.00 0.00 N ATOM 736 CA SER A 54 8.201 -1.127 7.703 1.00 0.00 C ATOM 737 C SER A 54 6.810 -1.583 8.139 1.00 0.00 C ATOM 738 O SER A 54 5.825 -1.308 7.452 1.00 0.00 O ATOM 739 CB SER A 54 8.614 0.136 8.470 1.00 0.00 C ATOM 740 OG SER A 54 8.685 -0.101 9.866 1.00 0.00 O ATOM 0 H SER A 54 7.262 -0.663 5.895 1.00 0.00 H new ATOM 0 HA SER A 54 8.923 -1.914 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.583 0.481 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.898 0.933 8.272 1.00 0.00 H new ATOM 0 HG SER A 54 8.952 0.723 10.325 1.00 0.00 H new ATOM 746 N LYS A 55 6.734 -2.268 9.272 1.00 0.00 N ATOM 747 CA LYS A 55 5.471 -2.809 9.761 1.00 0.00 C ATOM 748 C LYS A 55 4.466 -1.689 10.012 1.00 0.00 C ATOM 749 O LYS A 55 4.686 -0.822 10.857 1.00 0.00 O ATOM 750 CB LYS A 55 5.693 -3.608 11.055 1.00 0.00 C ATOM 751 CG LYS A 55 4.404 -4.113 11.698 1.00 0.00 C ATOM 752 CD LYS A 55 4.667 -4.856 13.002 1.00 0.00 C ATOM 753 CE LYS A 55 5.421 -6.163 12.781 1.00 0.00 C ATOM 754 NZ LYS A 55 4.624 -7.162 12.015 1.00 0.00 N ATOM 0 H LYS A 55 7.535 -2.463 9.873 1.00 0.00 H new ATOM 0 HA LYS A 55 5.071 -3.475 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.338 -4.460 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.224 -2.981 11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.740 -3.270 11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.887 -4.774 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.241 -4.217 13.672 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.718 -5.065 13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.349 -5.957 12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.697 -6.587 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.888 -8.122 12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.611 -7.009 12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.816 -7.054 10.999 1.00 0.00 H new ATOM 768 N GLY A 56 3.370 -1.704 9.262 1.00 0.00 N ATOM 769 CA GLY A 56 2.333 -0.709 9.446 1.00 0.00 C ATOM 770 C GLY A 56 2.377 0.362 8.380 1.00 0.00 C ATOM 771 O GLY A 56 1.519 1.245 8.342 1.00 0.00 O ATOM 0 H GLY A 56 3.182 -2.388 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.358 -1.195 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.444 -0.248 10.427 1.00 0.00 H new ATOM 775 N ALA A 57 3.380 0.286 7.516 1.00 0.00 N ATOM 776 CA ALA A 57 3.524 1.234 6.425 1.00 0.00 C ATOM 777 C ALA A 57 3.034 0.619 5.121 1.00 0.00 C ATOM 778 O ALA A 57 2.358 -0.407 5.128 1.00 0.00 O ATOM 779 CB ALA A 57 4.971 1.679 6.300 1.00 0.00 C ATOM 0 H ALA A 57 4.108 -0.427 7.552 1.00 0.00 H new ATOM 0 HA ALA A 57 2.913 2.111 6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.064 2.389 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.287 2.155 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.602 0.813 6.103 1.00 0.00 H new ATOM 785 N ILE A 58 3.371 1.243 4.001 1.00 0.00 N ATOM 786 CA ILE A 58 2.918 0.767 2.703 1.00 0.00 C ATOM 787 C ILE A 58 4.097 0.735 1.729 1.00 0.00 C ATOM 788 O ILE A 58 5.192 1.170 2.068 1.00 0.00 O ATOM 789 CB ILE A 58 1.770 1.636 2.127 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.790 2.074 3.227 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.015 0.869 1.049 1.00 0.00 C ATOM 792 CD1 ILE A 58 1.182 3.362 3.928 1.00 0.00 C ATOM 0 H ILE A 58 3.955 2.078 3.966 1.00 0.00 H new ATOM 0 HA ILE A 58 2.521 -0.239 2.838 1.00 0.00 H new ATOM 0 HB ILE A 58 2.220 2.528 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.200 2.198 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.713 1.278 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.212 1.492 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.700 0.605 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.592 -0.040 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.440 3.602 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.158 3.238 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.230 4.172 3.200 1.00 0.00 H new ATOM 804 N LEU A 59 3.877 0.207 0.535 1.00 0.00 N ATOM 805 CA LEU A 59 4.951 -0.020 -0.417 1.00 0.00 C ATOM 806 C LEU A 59 4.527 0.376 -1.833 1.00 0.00 C ATOM 807 O LEU A 59 3.730 -0.321 -2.459 1.00 0.00 O ATOM 808 CB LEU A 59 5.306 -1.504 -0.383 1.00 0.00 C ATOM 809 CG LEU A 59 6.551 -1.912 -1.150 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.726 -2.049 -0.194 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.299 -3.207 -1.908 1.00 0.00 C ATOM 0 H LEU A 59 2.955 -0.074 0.201 1.00 0.00 H new ATOM 0 HA LEU A 59 5.811 0.592 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.431 -1.803 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.460 -2.068 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 59 6.796 -1.140 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.616 -2.342 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.906 -1.095 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.500 -2.809 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.199 -3.490 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.039 -3.997 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.478 -3.064 -2.611 1.00 0.00 H new ATOM 823 N GLN A 60 5.057 1.484 -2.332 1.00 0.00 N ATOM 824 CA GLN A 60 4.745 1.944 -3.685 1.00 0.00 C ATOM 825 C GLN A 60 5.913 1.679 -4.630 1.00 0.00 C ATOM 826 O GLN A 60 7.068 1.874 -4.268 1.00 0.00 O ATOM 827 CB GLN A 60 4.425 3.443 -3.692 1.00 0.00 C ATOM 828 CG GLN A 60 4.038 3.961 -5.070 1.00 0.00 C ATOM 829 CD GLN A 60 4.127 5.468 -5.201 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.942 6.123 -4.549 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.288 6.027 -6.056 1.00 0.00 N ATOM 0 H GLN A 60 5.706 2.084 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 60 3.872 1.389 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.611 3.639 -2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.293 3.996 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.686 3.501 -5.816 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.019 3.645 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.629 5.448 -6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.300 7.037 -6.196 1.00 0.00 H new ATOM 840 N SER A 61 5.602 1.251 -5.847 1.00 0.00 N ATOM 841 CA SER A 61 6.630 0.981 -6.847 1.00 0.00 C ATOM 842 C SER A 61 6.813 2.184 -7.770 1.00 0.00 C ATOM 843 O SER A 61 7.914 2.440 -8.256 1.00 0.00 O ATOM 844 CB SER A 61 6.262 -0.259 -7.670 1.00 0.00 C ATOM 845 OG SER A 61 7.320 -0.639 -8.531 1.00 0.00 O ATOM 0 H SER A 61 4.648 1.083 -6.166 1.00 0.00 H new ATOM 0 HA SER A 61 7.570 0.794 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.022 -1.084 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.367 -0.055 -8.258 1.00 0.00 H new ATOM 0 HG SER A 61 7.057 -1.433 -9.042 1.00 0.00 H new ATOM 851 N SER A 62 5.716 2.917 -7.998 1.00 0.00 N ATOM 852 CA SER A 62 5.699 4.076 -8.900 1.00 0.00 C ATOM 853 C SER A 62 5.876 3.652 -10.360 1.00 0.00 C ATOM 854 O SER A 62 6.038 4.491 -11.246 1.00 0.00 O ATOM 855 CB SER A 62 6.777 5.092 -8.506 1.00 0.00 C ATOM 856 OG SER A 62 6.653 5.466 -7.143 1.00 0.00 O ATOM 0 H SER A 62 4.814 2.723 -7.562 1.00 0.00 H new ATOM 0 HA SER A 62 4.722 4.550 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.765 4.665 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.696 5.976 -9.138 1.00 0.00 H new ATOM 0 HG SER A 62 7.353 6.113 -6.916 1.00 0.00 H new ATOM 862 N GLU A 63 5.829 2.349 -10.602 1.00 0.00 N ATOM 863 CA GLU A 63 5.922 1.812 -11.951 1.00 0.00 C ATOM 864 C GLU A 63 4.677 0.993 -12.267 1.00 0.00 C ATOM 865 O GLU A 63 4.061 0.420 -11.363 1.00 0.00 O ATOM 866 CB GLU A 63 7.165 0.932 -12.100 1.00 0.00 C ATOM 867 CG GLU A 63 8.475 1.649 -11.811 1.00 0.00 C ATOM 868 CD GLU A 63 8.718 2.832 -12.728 1.00 0.00 C ATOM 869 OE1 GLU A 63 8.340 2.764 -13.916 1.00 0.00 O ATOM 870 OE2 GLU A 63 9.313 3.830 -12.271 1.00 0.00 O ATOM 0 H GLU A 63 5.726 1.641 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 63 5.999 2.646 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.075 0.079 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.197 0.536 -13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.474 1.992 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.299 0.943 -11.912 1.00 0.00 H new ATOM 877 N GLY A 64 4.310 0.940 -13.536 1.00 0.00 N ATOM 878 CA GLY A 64 3.138 0.192 -13.938 1.00 0.00 C ATOM 879 C GLY A 64 1.981 1.100 -14.307 1.00 0.00 C ATOM 880 O GLY A 64 2.028 2.300 -14.036 1.00 0.00 O ATOM 0 H GLY A 64 4.804 1.403 -14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.387 -0.441 -14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.835 -0.470 -13.127 1.00 0.00 H new ATOM 884 N PRO A 65 0.919 0.546 -14.914 1.00 0.00 N ATOM 885 CA PRO A 65 -0.244 1.326 -15.356 1.00 0.00 C ATOM 886 C PRO A 65 -0.942 2.034 -14.197 1.00 0.00 C ATOM 887 O PRO A 65 -1.194 3.238 -14.250 1.00 0.00 O ATOM 888 CB PRO A 65 -1.172 0.280 -15.987 1.00 0.00 C ATOM 889 CG PRO A 65 -0.701 -1.037 -15.468 1.00 0.00 C ATOM 890 CD PRO A 65 0.772 -0.885 -15.216 1.00 0.00 C ATOM 0 HA PRO A 65 0.043 2.121 -16.044 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.211 0.461 -15.712 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.119 0.314 -17.075 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.227 -1.305 -14.552 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.893 -1.831 -16.190 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.104 -1.507 -14.385 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.361 -1.175 -16.086 1.00 0.00 H new ATOM 898 N PHE A 66 -1.245 1.283 -13.148 1.00 0.00 N ATOM 899 CA PHE A 66 -1.872 1.847 -11.961 1.00 0.00 C ATOM 900 C PHE A 66 -0.895 1.856 -10.797 1.00 0.00 C ATOM 901 O PHE A 66 -1.289 2.014 -9.645 1.00 0.00 O ATOM 902 CB PHE A 66 -3.128 1.060 -11.582 1.00 0.00 C ATOM 903 CG PHE A 66 -4.300 1.314 -12.486 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.459 0.593 -13.657 1.00 0.00 C ATOM 905 CD2 PHE A 66 -5.246 2.271 -12.157 1.00 0.00 C ATOM 906 CE1 PHE A 66 -5.541 0.825 -14.485 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.328 2.507 -12.981 1.00 0.00 C ATOM 908 CZ PHE A 66 -6.476 1.783 -14.146 1.00 0.00 C ATOM 0 H PHE A 66 -1.067 0.280 -13.095 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.161 2.873 -12.188 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.896 -0.005 -11.595 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.409 1.313 -10.559 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.731 -0.158 -13.926 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.136 2.839 -11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.655 0.257 -15.397 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.058 3.257 -12.714 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.322 1.965 -14.792 1.00 0.00 H new ATOM 918 N GLY A 67 0.384 1.706 -11.112 1.00 0.00 N ATOM 919 CA GLY A 67 1.405 1.708 -10.086 1.00 0.00 C ATOM 920 C GLY A 67 1.417 0.423 -9.288 1.00 0.00 C ATOM 921 O GLY A 67 1.265 -0.659 -9.852 1.00 0.00 O ATOM 0 H GLY A 67 0.733 1.583 -12.063 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.381 1.856 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.240 2.550 -9.413 1.00 0.00 H new ATOM 925 N HIS A 68 1.580 0.544 -7.974 1.00 0.00 N ATOM 926 CA HIS A 68 1.648 -0.620 -7.095 1.00 0.00 C ATOM 927 C HIS A 68 1.804 -0.181 -5.650 1.00 0.00 C ATOM 928 O HIS A 68 2.859 0.334 -5.287 1.00 0.00 O ATOM 929 CB HIS A 68 2.855 -1.490 -7.455 1.00 0.00 C ATOM 930 CG HIS A 68 2.886 -2.812 -6.751 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.871 -3.165 -5.854 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.046 -3.869 -6.820 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.632 -4.380 -5.403 1.00 0.00 C ATOM 934 NE2 HIS A 68 2.532 -4.830 -5.973 1.00 0.00 N ATOM 0 H HIS A 68 1.668 1.439 -7.493 1.00 0.00 H new ATOM 0 HA HIS A 68 0.725 -1.186 -7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.857 -1.663 -8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.768 -0.943 -7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.157 -3.942 -7.429 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.236 -4.917 -4.687 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.111 -5.745 -5.810 1.00 0.00 H new ATOM 943 N VAL A 69 0.768 -0.346 -4.834 1.00 0.00 N ATOM 944 CA VAL A 69 0.924 -0.142 -3.409 1.00 0.00 C ATOM 945 C VAL A 69 0.547 -1.393 -2.626 1.00 0.00 C ATOM 946 O VAL A 69 -0.574 -1.893 -2.710 1.00 0.00 O ATOM 947 CB VAL A 69 0.125 1.070 -2.904 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.682 2.330 -3.535 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.360 0.924 -3.204 1.00 0.00 C ATOM 0 H VAL A 69 -0.169 -0.615 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 69 1.980 0.068 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 69 0.226 1.131 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.119 3.194 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.731 2.442 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.597 2.262 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.894 1.799 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.507 0.839 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.744 0.030 -2.713 1.00 0.00 H new ATOM 959 N ALA A 70 1.517 -1.908 -1.896 1.00 0.00 N ATOM 960 CA ALA A 70 1.320 -3.078 -1.064 1.00 0.00 C ATOM 961 C ALA A 70 1.482 -2.700 0.394 1.00 0.00 C ATOM 962 O ALA A 70 2.483 -2.107 0.772 1.00 0.00 O ATOM 963 CB ALA A 70 2.315 -4.161 -1.444 1.00 0.00 C ATOM 0 H ALA A 70 2.463 -1.527 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 70 0.312 -3.464 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.159 -5.036 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.171 -4.437 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.330 -3.789 -1.303 1.00 0.00 H new ATOM 969 N TYR A 71 0.499 -3.025 1.210 1.00 0.00 N ATOM 970 CA TYR A 71 0.557 -2.673 2.617 1.00 0.00 C ATOM 971 C TYR A 71 1.604 -3.523 3.330 1.00 0.00 C ATOM 972 O TYR A 71 1.550 -4.749 3.296 1.00 0.00 O ATOM 973 CB TYR A 71 -0.818 -2.838 3.267 1.00 0.00 C ATOM 974 CG TYR A 71 -0.801 -2.634 4.760 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.837 -1.359 5.302 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.742 -3.717 5.623 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.815 -1.164 6.668 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.719 -3.533 6.994 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.757 -2.253 7.511 1.00 0.00 C ATOM 980 OH TYR A 71 -0.730 -2.062 8.874 1.00 0.00 O ATOM 0 H TYR A 71 -0.343 -3.528 0.928 1.00 0.00 H new ATOM 0 HA TYR A 71 0.848 -1.626 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.512 -2.127 2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.198 -3.836 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.883 -0.504 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.714 -4.718 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.843 -0.164 7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.672 -4.385 7.656 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.690 -2.931 9.325 1.00 0.00 H new ATOM 990 N VAL A 72 2.553 -2.862 3.971 1.00 0.00 N ATOM 991 CA VAL A 72 3.663 -3.544 4.615 1.00 0.00 C ATOM 992 C VAL A 72 3.278 -3.983 6.016 1.00 0.00 C ATOM 993 O VAL A 72 2.955 -3.155 6.867 1.00 0.00 O ATOM 994 CB VAL A 72 4.903 -2.637 4.708 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.106 -3.426 5.194 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.190 -1.967 3.374 1.00 0.00 C ATOM 0 H VAL A 72 2.577 -1.846 4.060 1.00 0.00 H new ATOM 0 HA VAL A 72 3.903 -4.414 4.004 1.00 0.00 H new ATOM 0 HB VAL A 72 4.697 -1.851 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.973 -2.768 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.896 -3.839 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.314 -4.238 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.071 -1.332 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.371 -2.729 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.334 -1.359 3.081 1.00 0.00 H new ATOM 1006 N GLU A 73 3.315 -5.277 6.263 1.00 0.00 N ATOM 1007 CA GLU A 73 2.961 -5.786 7.569 1.00 0.00 C ATOM 1008 C GLU A 73 4.200 -6.139 8.374 1.00 0.00 C ATOM 1009 O GLU A 73 4.146 -6.172 9.595 1.00 0.00 O ATOM 1010 CB GLU A 73 2.022 -6.987 7.457 1.00 0.00 C ATOM 1011 CG GLU A 73 0.679 -6.627 6.837 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.469 -7.455 7.373 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -1.018 -7.094 8.436 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.842 -8.457 6.729 1.00 0.00 O ATOM 0 H GLU A 73 3.584 -5.988 5.583 1.00 0.00 H new ATOM 0 HA GLU A 73 2.431 -4.995 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.499 -7.761 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.858 -7.409 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.473 -5.572 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.739 -6.758 5.757 1.00 0.00 H new ATOM 1021 N SER A 74 5.323 -6.378 7.696 1.00 0.00 N ATOM 1022 CA SER A 74 6.565 -6.730 8.385 1.00 0.00 C ATOM 1023 C SER A 74 7.782 -6.489 7.499 1.00 0.00 C ATOM 1024 O SER A 74 7.732 -6.706 6.290 1.00 0.00 O ATOM 1025 CB SER A 74 6.560 -8.208 8.801 1.00 0.00 C ATOM 1026 OG SER A 74 5.468 -8.518 9.648 1.00 0.00 O ATOM 0 H SER A 74 5.399 -6.335 6.680 1.00 0.00 H new ATOM 0 HA SER A 74 6.626 -6.093 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.517 -8.835 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.493 -8.444 9.312 1.00 0.00 H new ATOM 0 HG SER A 74 5.500 -9.467 9.889 1.00 0.00 H new ATOM 1032 N VAL A 75 8.868 -6.036 8.105 1.00 0.00 N ATOM 1033 CA VAL A 75 10.166 -6.066 7.456 1.00 0.00 C ATOM 1034 C VAL A 75 11.062 -7.032 8.224 1.00 0.00 C ATOM 1035 O VAL A 75 11.316 -6.862 9.419 1.00 0.00 O ATOM 1036 CB VAL A 75 10.823 -4.663 7.330 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.020 -4.002 8.688 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.148 -4.758 6.577 1.00 0.00 C ATOM 0 H VAL A 75 8.875 -5.643 9.046 1.00 0.00 H new ATOM 0 HA VAL A 75 10.029 -6.408 6.430 1.00 0.00 H new ATOM 0 HB VAL A 75 10.141 -4.032 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.482 -3.024 8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.054 -3.883 9.178 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.666 -4.626 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.594 -3.766 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.826 -5.419 7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.971 -5.157 5.578 1.00 0.00 H new ATOM 1048 N ASN A 76 11.503 -8.069 7.542 1.00 0.00 N ATOM 1049 CA ASN A 76 12.176 -9.181 8.191 1.00 0.00 C ATOM 1050 C ASN A 76 13.605 -8.815 8.560 1.00 0.00 C ATOM 1051 O ASN A 76 14.181 -7.875 8.009 1.00 0.00 O ATOM 1052 CB ASN A 76 12.147 -10.423 7.296 1.00 0.00 C ATOM 1053 CG ASN A 76 10.733 -10.904 7.028 1.00 0.00 C ATOM 1054 OD1 ASN A 76 10.189 -11.716 7.773 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.125 -10.405 5.960 1.00 0.00 N ATOM 0 H ASN A 76 11.408 -8.167 6.531 1.00 0.00 H new ATOM 0 HA ASN A 76 11.641 -9.409 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.638 -10.198 6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.717 -11.223 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.173 -10.694 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.609 -9.733 5.365 1.00 0.00 H new ATOM 1062 N SER A 77 14.172 -9.575 9.482 1.00 0.00 N ATOM 1063 CA SER A 77 15.490 -9.291 10.032 1.00 0.00 C ATOM 1064 C SER A 77 16.578 -9.474 8.971 1.00 0.00 C ATOM 1065 O SER A 77 17.650 -8.876 9.058 1.00 0.00 O ATOM 1066 CB SER A 77 15.743 -10.210 11.232 1.00 0.00 C ATOM 1067 OG SER A 77 16.897 -9.830 11.960 1.00 0.00 O ATOM 0 H SER A 77 13.732 -10.408 9.872 1.00 0.00 H new ATOM 0 HA SER A 77 15.523 -8.252 10.359 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.876 -10.191 11.892 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.856 -11.237 10.884 1.00 0.00 H new ATOM 0 HG SER A 77 17.022 -10.440 12.717 1.00 0.00 H new ATOM 1073 N ASP A 78 16.286 -10.282 7.959 1.00 0.00 N ATOM 1074 CA ASP A 78 17.249 -10.558 6.896 1.00 0.00 C ATOM 1075 C ASP A 78 17.198 -9.482 5.815 1.00 0.00 C ATOM 1076 O ASP A 78 18.012 -9.484 4.889 1.00 0.00 O ATOM 1077 CB ASP A 78 16.984 -11.929 6.271 1.00 0.00 C ATOM 1078 CG ASP A 78 15.649 -11.996 5.564 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.641 -12.316 6.226 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.599 -11.734 4.343 1.00 0.00 O ATOM 0 H ASP A 78 15.391 -10.758 7.851 1.00 0.00 H new ATOM 0 HA ASP A 78 18.243 -10.556 7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.779 -12.161 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.018 -12.692 7.049 1.00 0.00 H new ATOM 1085 N GLY A 79 16.239 -8.570 5.929 1.00 0.00 N ATOM 1086 CA GLY A 79 16.125 -7.494 4.966 1.00 0.00 C ATOM 1087 C GLY A 79 14.894 -7.617 4.093 1.00 0.00 C ATOM 1088 O GLY A 79 14.402 -6.622 3.562 1.00 0.00 O ATOM 0 H GLY A 79 15.539 -8.558 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.097 -6.541 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.013 -7.482 4.334 1.00 0.00 H new ATOM 1092 N SER A 80 14.398 -8.840 3.932 1.00 0.00 N ATOM 1093 CA SER A 80 13.214 -9.082 3.116 1.00 0.00 C ATOM 1094 C SER A 80 11.976 -8.456 3.753 1.00 0.00 C ATOM 1095 O SER A 80 11.845 -8.424 4.970 1.00 0.00 O ATOM 1096 CB SER A 80 13.000 -10.582 2.923 1.00 0.00 C ATOM 1097 OG SER A 80 14.112 -11.169 2.271 1.00 0.00 O ATOM 0 H SER A 80 14.797 -9.678 4.355 1.00 0.00 H new ATOM 0 HA SER A 80 13.373 -8.617 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.846 -11.059 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.097 -10.753 2.337 1.00 0.00 H new ATOM 0 HG SER A 80 14.784 -11.425 2.937 1.00 0.00 H new ATOM 1103 N VAL A 81 11.072 -7.961 2.931 1.00 0.00 N ATOM 1104 CA VAL A 81 9.878 -7.296 3.426 1.00 0.00 C ATOM 1105 C VAL A 81 8.625 -8.102 3.112 1.00 0.00 C ATOM 1106 O VAL A 81 8.383 -8.469 1.966 1.00 0.00 O ATOM 1107 CB VAL A 81 9.747 -5.887 2.821 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.529 -5.171 3.377 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.011 -5.083 3.080 1.00 0.00 C ATOM 0 H VAL A 81 11.140 -8.006 1.914 1.00 0.00 H new ATOM 0 HA VAL A 81 9.978 -7.214 4.508 1.00 0.00 H new ATOM 0 HB VAL A 81 9.614 -5.985 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.458 -4.177 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.631 -5.740 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.623 -5.080 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.905 -4.088 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.173 -4.995 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.863 -5.588 2.625 1.00 0.00 H new ATOM 1119 N THR A 82 7.833 -8.363 4.138 1.00 0.00 N ATOM 1120 CA THR A 82 6.588 -9.091 3.987 1.00 0.00 C ATOM 1121 C THR A 82 5.416 -8.116 3.893 1.00 0.00 C ATOM 1122 O THR A 82 5.120 -7.383 4.841 1.00 0.00 O ATOM 1123 CB THR A 82 6.370 -10.061 5.166 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.435 -11.025 5.202 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.030 -10.773 5.046 1.00 0.00 C ATOM 0 H THR A 82 8.035 -8.077 5.096 1.00 0.00 H new ATOM 0 HA THR A 82 6.645 -9.674 3.068 1.00 0.00 H new ATOM 0 HB THR A 82 6.368 -9.485 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.979 -10.942 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.901 -11.451 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.226 -10.037 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.002 -11.341 4.116 1.00 0.00 H new ATOM 1133 N ILE A 83 4.769 -8.094 2.737 1.00 0.00 N ATOM 1134 CA ILE A 83 3.656 -7.187 2.511 1.00 0.00 C ATOM 1135 C ILE A 83 2.364 -7.949 2.267 1.00 0.00 C ATOM 1136 O ILE A 83 2.379 -9.154 2.006 1.00 0.00 O ATOM 1137 CB ILE A 83 3.929 -6.229 1.323 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.338 -6.998 0.057 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.002 -5.220 1.695 1.00 0.00 C ATOM 1140 CD1 ILE A 83 3.180 -7.588 -0.721 1.00 0.00 C ATOM 0 H ILE A 83 4.996 -8.693 1.943 1.00 0.00 H new ATOM 0 HA ILE A 83 3.548 -6.591 3.417 1.00 0.00 H new ATOM 0 HB ILE A 83 3.001 -5.700 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.894 -6.326 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.017 -7.803 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.183 -4.554 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.670 -4.636 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.923 -5.745 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.560 -8.112 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.635 -8.288 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.510 -6.789 -1.038 1.00 0.00 H new ATOM 1152 N SER A 84 1.256 -7.235 2.355 1.00 0.00 N ATOM 1153 CA SER A 84 -0.045 -7.789 2.051 1.00 0.00 C ATOM 1154 C SER A 84 -0.788 -6.867 1.088 1.00 0.00 C ATOM 1155 O SER A 84 -1.370 -5.856 1.486 1.00 0.00 O ATOM 1156 CB SER A 84 -0.844 -7.992 3.337 1.00 0.00 C ATOM 1157 OG SER A 84 -0.159 -8.861 4.226 1.00 0.00 O ATOM 0 H SER A 84 1.236 -6.256 2.639 1.00 0.00 H new ATOM 0 HA SER A 84 0.080 -8.760 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.013 -7.030 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.824 -8.406 3.100 1.00 0.00 H new ATOM 0 HG SER A 84 -0.303 -8.565 5.149 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.714 -7.197 -0.187 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.399 -6.437 -1.226 1.00 0.00 C ATOM 1165 C GLU A 85 -2.585 -7.226 -1.777 1.00 0.00 C ATOM 1166 O GLU A 85 -2.426 -8.169 -2.550 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.429 -6.063 -2.353 1.00 0.00 C ATOM 1168 CG GLU A 85 0.358 -7.242 -2.903 1.00 0.00 C ATOM 1169 CD GLU A 85 1.275 -6.862 -4.048 1.00 0.00 C ATOM 1170 OE1 GLU A 85 0.781 -6.676 -5.179 1.00 0.00 O ATOM 1171 OE2 GLU A 85 2.497 -6.750 -3.829 1.00 0.00 O ATOM 0 H GLU A 85 -0.182 -7.994 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.777 -5.516 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.991 -5.603 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.270 -5.312 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.951 -7.681 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.338 -8.009 -3.242 1.00 0.00 H new ATOM 1178 N MET A 86 -3.779 -6.854 -1.357 1.00 0.00 N ATOM 1179 CA MET A 86 -4.979 -7.555 -1.778 1.00 0.00 C ATOM 1180 C MET A 86 -5.403 -7.138 -3.186 1.00 0.00 C ATOM 1181 O MET A 86 -5.794 -5.992 -3.409 1.00 0.00 O ATOM 1182 CB MET A 86 -6.115 -7.303 -0.787 1.00 0.00 C ATOM 1183 CG MET A 86 -7.382 -8.065 -1.126 1.00 0.00 C ATOM 1184 SD MET A 86 -8.625 -7.990 0.177 1.00 0.00 S ATOM 1185 CE MET A 86 -7.855 -9.008 1.433 1.00 0.00 C ATOM 0 H MET A 86 -3.945 -6.071 -0.725 1.00 0.00 H new ATOM 0 HA MET A 86 -4.754 -8.621 -1.798 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.786 -7.585 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.336 -6.236 -0.761 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.805 -7.663 -2.046 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.130 -9.108 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.534 -9.119 2.278 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.630 -9.990 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.932 -8.536 1.769 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.279 -8.079 -4.124 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.784 -7.932 -5.496 1.00 0.00 C ATOM 1197 C ASN A 87 -4.955 -6.967 -6.339 1.00 0.00 C ATOM 1198 O ASN A 87 -4.362 -7.379 -7.339 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.256 -7.501 -5.502 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.802 -7.273 -6.903 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -7.360 -7.890 -7.865 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.775 -6.388 -7.025 1.00 0.00 N ATOM 0 H ASN A 87 -4.821 -8.974 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.696 -8.917 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.854 -8.264 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.363 -6.584 -4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.182 -6.201 -7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.119 -5.892 -6.203 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.918 -5.693 -5.936 1.00 0.00 N ATOM 1210 CA TYR A 88 -4.346 -4.622 -6.757 1.00 0.00 C ATOM 1211 C TYR A 88 -5.251 -4.343 -7.959 1.00 0.00 C ATOM 1212 O TYR A 88 -5.945 -3.325 -7.995 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.907 -4.961 -7.183 1.00 0.00 C ATOM 1214 CG TYR A 88 -2.340 -4.078 -8.275 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -2.173 -2.712 -8.090 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -1.965 -4.626 -9.496 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -1.650 -1.917 -9.094 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -1.442 -3.839 -10.501 1.00 0.00 C ATOM 1219 CZ TYR A 88 -1.289 -2.486 -10.297 1.00 0.00 C ATOM 1220 OH TYR A 88 -0.771 -1.700 -11.301 1.00 0.00 O ATOM 0 H TYR A 88 -5.281 -5.377 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.291 -3.711 -6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.259 -4.894 -6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.878 -5.997 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.455 -2.264 -7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.085 -5.687 -9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.525 -0.856 -8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.154 -4.282 -11.443 1.00 0.00 H new ATOM 0 HH TYR A 88 0.073 -1.302 -11.002 1.00 0.00 H new ATOM 1230 N SER A 89 -5.265 -5.261 -8.913 1.00 0.00 N ATOM 1231 CA SER A 89 -6.149 -5.180 -10.065 1.00 0.00 C ATOM 1232 C SER A 89 -6.019 -6.450 -10.893 1.00 0.00 C ATOM 1233 O SER A 89 -5.330 -6.476 -11.914 1.00 0.00 O ATOM 1234 CB SER A 89 -5.847 -3.937 -10.917 1.00 0.00 C ATOM 1235 OG SER A 89 -4.485 -3.892 -11.304 1.00 0.00 O ATOM 0 H SER A 89 -4.663 -6.084 -8.910 1.00 0.00 H new ATOM 0 HA SER A 89 -7.176 -5.086 -9.711 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.479 -3.941 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.096 -3.038 -10.353 1.00 0.00 H new ATOM 0 HG SER A 89 -3.916 -4.004 -10.514 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.644 -7.513 -10.414 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.554 -8.792 -11.081 1.00 0.00 C ATOM 1243 C GLY A 90 -7.469 -9.827 -10.459 1.00 0.00 C ATOM 1244 O GLY A 90 -8.560 -10.084 -10.969 1.00 0.00 O ATOM 0 H GLY A 90 -7.216 -7.512 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.809 -8.670 -12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.525 -9.149 -11.042 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.029 -10.417 -9.355 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.849 -11.383 -8.654 1.00 0.00 C ATOM 1250 C GLY A 91 -8.451 -10.791 -7.397 1.00 0.00 C ATOM 1251 O GLY A 91 -7.740 -10.585 -6.415 1.00 0.00 O ATOM 0 H GLY A 91 -6.117 -10.243 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.646 -11.731 -9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.247 -12.254 -8.395 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.760 -10.490 -7.407 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.443 -9.857 -6.271 1.00 0.00 C ATOM 1257 C PRO A 92 -10.194 -10.582 -4.948 1.00 0.00 C ATOM 1258 O PRO A 92 -10.439 -11.784 -4.828 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.920 -9.930 -6.662 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.910 -9.958 -8.148 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.681 -10.734 -8.532 1.00 0.00 C ATOM 0 HA PRO A 92 -10.083 -8.843 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.396 -10.821 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.474 -9.070 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.811 -10.433 -8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.880 -8.949 -8.558 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.897 -11.796 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.264 -10.385 -9.476 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.675 -9.829 -3.976 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.408 -10.320 -2.621 1.00 0.00 C ATOM 1271 C PHE A 93 -8.225 -11.277 -2.563 1.00 0.00 C ATOM 1272 O PHE A 93 -7.952 -11.852 -1.508 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.620 -10.997 -1.993 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.786 -10.082 -1.738 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.742 -9.853 -2.718 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -11.932 -9.460 -0.510 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.818 -9.021 -2.477 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.004 -8.625 -0.264 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.950 -8.406 -1.249 1.00 0.00 C ATOM 0 H PHE A 93 -9.425 -8.849 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.165 -9.426 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.946 -11.807 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.318 -11.451 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.643 -10.331 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.199 -9.630 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.555 -8.852 -3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.104 -8.143 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.790 -7.755 -1.057 1.00 0.00 H new ATOM 1289 N SER A 94 -7.525 -11.460 -3.673 1.00 0.00 N ATOM 1290 CA SER A 94 -6.300 -12.232 -3.642 1.00 0.00 C ATOM 1291 C SER A 94 -5.243 -11.448 -2.896 1.00 0.00 C ATOM 1292 O SER A 94 -4.548 -10.614 -3.479 1.00 0.00 O ATOM 1293 CB SER A 94 -5.808 -12.577 -5.049 1.00 0.00 C ATOM 1294 OG SER A 94 -6.647 -13.548 -5.654 1.00 0.00 O ATOM 0 H SER A 94 -7.781 -11.091 -4.589 1.00 0.00 H new ATOM 0 HA SER A 94 -6.499 -13.174 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.786 -11.676 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.786 -12.953 -4.999 1.00 0.00 H new ATOM 0 HG SER A 94 -6.315 -13.752 -6.553 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.167 -11.667 -1.596 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.179 -10.997 -0.786 1.00 0.00 C ATOM 1302 C VAL A 95 -2.779 -11.502 -1.162 1.00 0.00 C ATOM 1303 O VAL A 95 -2.306 -12.526 -0.665 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.459 -11.163 0.731 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.608 -12.625 1.120 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.374 -10.487 1.558 1.00 0.00 C ATOM 0 H VAL A 95 -5.778 -12.303 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.234 -9.928 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.409 -10.672 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.803 -12.699 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.439 -13.065 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.689 -13.161 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.591 -10.616 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.408 -10.937 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.345 -9.424 1.321 1.00 0.00 H new ATOM 1316 N SER A 96 -2.146 -10.800 -2.089 1.00 0.00 N ATOM 1317 CA SER A 96 -0.877 -11.226 -2.644 1.00 0.00 C ATOM 1318 C SER A 96 0.217 -11.137 -1.591 1.00 0.00 C ATOM 1319 O SER A 96 0.536 -10.057 -1.086 1.00 0.00 O ATOM 1320 CB SER A 96 -0.524 -10.377 -3.869 1.00 0.00 C ATOM 1321 OG SER A 96 0.684 -10.803 -4.474 1.00 0.00 O ATOM 0 H SER A 96 -2.498 -9.924 -2.474 1.00 0.00 H new ATOM 0 HA SER A 96 -0.962 -12.266 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.334 -10.433 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.433 -9.332 -3.573 1.00 0.00 H new ATOM 0 HG SER A 96 0.876 -10.240 -5.253 1.00 0.00 H new ATOM 1327 N SER A 97 0.758 -12.288 -1.245 1.00 0.00 N ATOM 1328 CA SER A 97 1.831 -12.364 -0.272 1.00 0.00 C ATOM 1329 C SER A 97 3.181 -12.315 -0.977 1.00 0.00 C ATOM 1330 O SER A 97 3.657 -13.319 -1.509 1.00 0.00 O ATOM 1331 CB SER A 97 1.702 -13.643 0.554 1.00 0.00 C ATOM 1332 OG SER A 97 0.448 -13.699 1.217 1.00 0.00 O ATOM 0 H SER A 97 0.470 -13.189 -1.626 1.00 0.00 H new ATOM 0 HA SER A 97 1.761 -11.510 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.813 -14.512 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.507 -13.689 1.287 1.00 0.00 H new ATOM 0 HG SER A 97 0.390 -14.528 1.737 1.00 0.00 H new ATOM 1338 N ARG A 98 3.782 -11.137 -1.004 1.00 0.00 N ATOM 1339 CA ARG A 98 5.042 -10.944 -1.700 1.00 0.00 C ATOM 1340 C ARG A 98 6.142 -10.593 -0.703 1.00 0.00 C ATOM 1341 O ARG A 98 5.869 -10.023 0.355 1.00 0.00 O ATOM 1342 CB ARG A 98 4.889 -9.839 -2.748 1.00 0.00 C ATOM 1343 CG ARG A 98 5.912 -9.905 -3.869 1.00 0.00 C ATOM 1344 CD ARG A 98 5.715 -8.769 -4.861 1.00 0.00 C ATOM 1345 NE ARG A 98 6.573 -8.900 -6.043 1.00 0.00 N ATOM 1346 CZ ARG A 98 6.539 -8.059 -7.080 1.00 0.00 C ATOM 1347 NH1 ARG A 98 5.697 -7.031 -7.070 1.00 0.00 N ATOM 1348 NH2 ARG A 98 7.340 -8.250 -8.122 1.00 0.00 N ATOM 0 H ARG A 98 3.417 -10.299 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 98 5.320 -11.869 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.889 -9.897 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.968 -8.871 -2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.917 -9.856 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.828 -10.861 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.671 -8.742 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.924 -7.820 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 98 7.233 -9.677 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.079 -6.886 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.669 -6.387 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.984 -9.041 -8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.311 -7.606 -8.912 1.00 0.00 H new ATOM 1362 N THR A 99 7.375 -10.939 -1.042 1.00 0.00 N ATOM 1363 CA THR A 99 8.507 -10.702 -0.167 1.00 0.00 C ATOM 1364 C THR A 99 9.550 -9.854 -0.887 1.00 0.00 C ATOM 1365 O THR A 99 10.243 -10.328 -1.787 1.00 0.00 O ATOM 1366 CB THR A 99 9.136 -12.031 0.297 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.123 -12.891 0.839 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.202 -11.790 1.353 1.00 0.00 C ATOM 0 H THR A 99 7.615 -11.389 -1.925 1.00 0.00 H new ATOM 0 HA THR A 99 8.153 -10.168 0.715 1.00 0.00 H new ATOM 0 HB THR A 99 9.599 -12.504 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.530 -13.734 1.130 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.629 -12.744 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.988 -11.158 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.755 -11.296 2.215 1.00 0.00 H new ATOM 1376 N ILE A 100 9.637 -8.595 -0.492 1.00 0.00 N ATOM 1377 CA ILE A 100 10.521 -7.639 -1.143 1.00 0.00 C ATOM 1378 C ILE A 100 11.953 -7.809 -0.663 1.00 0.00 C ATOM 1379 O ILE A 100 12.210 -7.837 0.537 1.00 0.00 O ATOM 1380 CB ILE A 100 10.084 -6.176 -0.874 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.756 -5.854 -1.552 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.146 -5.197 -1.337 1.00 0.00 C ATOM 1383 CD1 ILE A 100 7.547 -6.345 -0.798 1.00 0.00 C ATOM 0 H ILE A 100 9.101 -8.207 0.284 1.00 0.00 H new ATOM 0 HA ILE A 100 10.460 -7.839 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 100 9.954 -6.074 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.678 -4.774 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.753 -6.294 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.814 -4.178 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.075 -5.388 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.313 -5.320 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.643 -6.077 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.599 -7.429 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.523 -5.885 0.190 1.00 0.00 H new ATOM 1395 N SER A 101 12.877 -7.935 -1.594 1.00 0.00 N ATOM 1396 CA SER A 101 14.289 -7.906 -1.256 1.00 0.00 C ATOM 1397 C SER A 101 14.723 -6.454 -1.039 1.00 0.00 C ATOM 1398 O SER A 101 14.190 -5.544 -1.679 1.00 0.00 O ATOM 1399 CB SER A 101 15.124 -8.562 -2.361 1.00 0.00 C ATOM 1400 OG SER A 101 16.467 -8.762 -1.941 1.00 0.00 O ATOM 0 H SER A 101 12.679 -8.058 -2.587 1.00 0.00 H new ATOM 0 HA SER A 101 14.452 -8.471 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.680 -9.519 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.109 -7.935 -3.253 1.00 0.00 H new ATOM 0 HG SER A 101 16.977 -9.183 -2.664 1.00 0.00 H new ATOM 1406 N ALA A 102 15.668 -6.246 -0.126 1.00 0.00 N ATOM 1407 CA ALA A 102 16.165 -4.909 0.218 1.00 0.00 C ATOM 1408 C ALA A 102 16.481 -4.057 -1.017 1.00 0.00 C ATOM 1409 O ALA A 102 16.257 -2.841 -1.012 1.00 0.00 O ATOM 1410 CB ALA A 102 17.400 -5.030 1.098 1.00 0.00 C ATOM 0 H ALA A 102 16.114 -6.998 0.399 1.00 0.00 H new ATOM 0 HA ALA A 102 15.368 -4.399 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.766 -4.035 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.144 -5.566 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.176 -5.576 0.562 1.00 0.00 H new ATOM 1416 N SER A 103 16.973 -4.699 -2.071 1.00 0.00 N ATOM 1417 CA SER A 103 17.320 -4.005 -3.304 1.00 0.00 C ATOM 1418 C SER A 103 16.109 -3.278 -3.890 1.00 0.00 C ATOM 1419 O SER A 103 16.202 -2.115 -4.282 1.00 0.00 O ATOM 1420 CB SER A 103 17.894 -4.999 -4.316 1.00 0.00 C ATOM 1421 OG SER A 103 17.122 -6.190 -4.352 1.00 0.00 O ATOM 0 H SER A 103 17.141 -5.705 -2.095 1.00 0.00 H new ATOM 0 HA SER A 103 18.076 -3.254 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.914 -4.544 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.925 -5.237 -4.053 1.00 0.00 H new ATOM 0 HG SER A 103 16.666 -6.258 -5.217 1.00 0.00 H new ATOM 1427 N GLU A 104 14.969 -3.957 -3.923 1.00 0.00 N ATOM 1428 CA GLU A 104 13.741 -3.354 -4.420 1.00 0.00 C ATOM 1429 C GLU A 104 13.132 -2.457 -3.357 1.00 0.00 C ATOM 1430 O GLU A 104 12.506 -1.448 -3.667 1.00 0.00 O ATOM 1431 CB GLU A 104 12.720 -4.412 -4.849 1.00 0.00 C ATOM 1432 CG GLU A 104 13.111 -5.181 -6.099 1.00 0.00 C ATOM 1433 CD GLU A 104 14.231 -6.171 -5.857 1.00 0.00 C ATOM 1434 OE1 GLU A 104 13.981 -7.210 -5.216 1.00 0.00 O ATOM 1435 OE2 GLU A 104 15.366 -5.918 -6.313 1.00 0.00 O ATOM 0 H GLU A 104 14.870 -4.923 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 104 13.999 -2.761 -5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.579 -5.118 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.759 -3.926 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.239 -5.713 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.417 -4.476 -6.872 1.00 0.00 H new ATOM 1442 N ALA A 105 13.333 -2.822 -2.098 1.00 0.00 N ATOM 1443 CA ALA A 105 12.841 -2.024 -0.982 1.00 0.00 C ATOM 1444 C ALA A 105 13.420 -0.612 -1.039 1.00 0.00 C ATOM 1445 O ALA A 105 12.826 0.337 -0.529 1.00 0.00 O ATOM 1446 CB ALA A 105 13.194 -2.690 0.337 1.00 0.00 C ATOM 0 H ALA A 105 13.834 -3.667 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 105 11.756 -1.954 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.821 -2.084 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.738 -3.679 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.277 -2.786 0.418 1.00 0.00 H new ATOM 1452 N GLY A 106 14.587 -0.494 -1.669 1.00 0.00 N ATOM 1453 CA GLY A 106 15.221 0.798 -1.853 1.00 0.00 C ATOM 1454 C GLY A 106 14.426 1.743 -2.745 1.00 0.00 C ATOM 1455 O GLY A 106 14.456 2.954 -2.540 1.00 0.00 O ATOM 0 H GLY A 106 15.108 -1.280 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.365 1.265 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.211 0.650 -2.285 1.00 0.00 H new ATOM 1459 N ASN A 107 13.708 1.203 -3.731 1.00 0.00 N ATOM 1460 CA ASN A 107 12.959 2.048 -4.662 1.00 0.00 C ATOM 1461 C ASN A 107 11.489 2.121 -4.271 1.00 0.00 C ATOM 1462 O ASN A 107 10.736 2.937 -4.803 1.00 0.00 O ATOM 1463 CB ASN A 107 13.079 1.548 -6.114 1.00 0.00 C ATOM 1464 CG ASN A 107 12.266 0.291 -6.399 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.776 -0.825 -6.307 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.997 0.467 -6.758 1.00 0.00 N ATOM 0 H ASN A 107 13.629 0.201 -3.904 1.00 0.00 H new ATOM 0 HA ASN A 107 13.397 3.044 -4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.755 2.340 -6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.128 1.349 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.410 -0.340 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.611 1.409 -6.823 1.00 0.00 H new ATOM 1473 N TYR A 108 11.078 1.264 -3.348 1.00 0.00 N ATOM 1474 CA TYR A 108 9.687 1.219 -2.929 1.00 0.00 C ATOM 1475 C TYR A 108 9.374 2.315 -1.922 1.00 0.00 C ATOM 1476 O TYR A 108 9.829 2.275 -0.778 1.00 0.00 O ATOM 1477 CB TYR A 108 9.347 -0.133 -2.328 1.00 0.00 C ATOM 1478 CG TYR A 108 9.153 -1.245 -3.338 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.405 -1.049 -4.491 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.689 -2.504 -3.117 1.00 0.00 C ATOM 1481 CE1 TYR A 108 8.201 -2.077 -5.393 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.496 -3.533 -4.018 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.750 -3.316 -5.151 1.00 0.00 C ATOM 1484 OH TYR A 108 8.546 -4.347 -6.040 1.00 0.00 O ATOM 0 H TYR A 108 11.686 0.593 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 108 9.078 1.380 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.143 -0.420 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.436 -0.034 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.975 -0.078 -4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.268 -2.684 -2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.614 -1.909 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.930 -4.504 -3.832 1.00 0.00 H new ATOM 0 HH TYR A 108 9.004 -5.152 -5.718 1.00 0.00 H new ATOM 1494 N ASN A 109 8.572 3.273 -2.359 1.00 0.00 N ATOM 1495 CA ASN A 109 8.218 4.433 -1.545 1.00 0.00 C ATOM 1496 C ASN A 109 7.149 4.067 -0.527 1.00 0.00 C ATOM 1497 O ASN A 109 6.476 3.047 -0.653 1.00 0.00 O ATOM 1498 CB ASN A 109 7.689 5.585 -2.418 1.00 0.00 C ATOM 1499 CG ASN A 109 8.714 6.141 -3.390 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.919 6.157 -3.123 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.231 6.614 -4.531 1.00 0.00 N ATOM 0 H ASN A 109 8.147 3.272 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 109 9.124 4.756 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.823 5.234 -2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.344 6.390 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.863 7.010 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.228 6.582 -4.712 1.00 0.00 H new ATOM 1508 N TYR A 110 6.994 4.911 0.476 1.00 0.00 N ATOM 1509 CA TYR A 110 5.922 4.761 1.444 1.00 0.00 C ATOM 1510 C TYR A 110 5.521 6.140 1.950 1.00 0.00 C ATOM 1511 O TYR A 110 6.297 7.088 1.831 1.00 0.00 O ATOM 1512 CB TYR A 110 6.329 3.828 2.603 1.00 0.00 C ATOM 1513 CG TYR A 110 7.382 4.356 3.565 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.233 5.397 3.225 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.513 3.803 4.831 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.178 5.866 4.111 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.458 4.268 5.722 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.287 5.302 5.356 1.00 0.00 C ATOM 1519 OH TYR A 110 10.227 5.777 6.238 1.00 0.00 O ATOM 0 H TYR A 110 7.601 5.713 0.643 1.00 0.00 H new ATOM 0 HA TYR A 110 5.065 4.292 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.434 3.587 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 110 6.695 2.894 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.153 5.849 2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.862 2.993 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.832 6.677 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.546 3.822 6.702 1.00 0.00 H new ATOM 0 HH TYR A 110 10.174 5.271 7.076 1.00 0.00 H new ATOM 1529 N ILE A 111 4.325 6.272 2.498 1.00 0.00 N ATOM 1530 CA ILE A 111 3.847 7.579 2.915 1.00 0.00 C ATOM 1531 C ILE A 111 3.542 7.613 4.410 1.00 0.00 C ATOM 1532 O ILE A 111 2.819 6.765 4.934 1.00 0.00 O ATOM 1533 CB ILE A 111 2.623 8.014 2.080 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.481 7.001 2.192 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.036 8.178 0.625 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.292 7.326 1.307 1.00 0.00 C ATOM 0 H ILE A 111 3.676 5.503 2.663 1.00 0.00 H new ATOM 0 HA ILE A 111 4.647 8.297 2.732 1.00 0.00 H new ATOM 0 HB ILE A 111 2.261 8.965 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.857 6.012 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.149 6.953 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.173 8.485 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.815 8.937 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.416 7.230 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.478 6.566 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.110 8.301 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.609 7.345 0.264 1.00 0.00 H new ATOM 1548 N HIS A 112 4.144 8.577 5.091 1.00 0.00 N ATOM 1549 CA HIS A 112 3.990 8.734 6.533 1.00 0.00 C ATOM 1550 C HIS A 112 3.045 9.876 6.875 1.00 0.00 C ATOM 1551 O HIS A 112 2.973 10.868 6.155 1.00 0.00 O ATOM 1552 CB HIS A 112 5.346 9.014 7.181 1.00 0.00 C ATOM 1553 CG HIS A 112 6.061 7.796 7.667 1.00 0.00 C ATOM 1554 ND1 HIS A 112 5.813 7.241 8.898 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.046 7.049 7.110 1.00 0.00 C ATOM 1556 CE1 HIS A 112 6.611 6.213 9.086 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.374 6.069 8.020 1.00 0.00 N ATOM 0 H HIS A 112 4.753 9.273 4.661 1.00 0.00 H new ATOM 0 HA HIS A 112 3.572 7.803 6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.980 9.529 6.460 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.200 9.694 8.020 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.490 7.195 6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 112 6.637 5.590 9.968 1.00 0.00 H new ATOM 0 HE2 HIS A 112 8.088 5.352 7.891 1.00 0.00 H new ATOM 1566 N ILE A 113 2.334 9.728 7.984 1.00 0.00 N ATOM 1567 CA ILE A 113 1.514 10.804 8.525 1.00 0.00 C ATOM 1568 C ILE A 113 2.398 11.810 9.250 1.00 0.00 C ATOM 1569 O ILE A 113 3.019 11.426 10.266 1.00 0.00 O ATOM 1570 CB ILE A 113 0.435 10.264 9.497 1.00 0.00 C ATOM 1571 CG1 ILE A 113 -0.639 9.499 8.728 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.199 11.389 10.307 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.398 10.355 7.734 1.00 0.00 C ATOM 1574 OXT ILE A 113 2.467 12.971 8.804 1.00 0.00 O ATOM 0 H ILE A 113 2.309 8.867 8.530 1.00 0.00 H new ATOM 0 HA ILE A 113 1.005 11.289 7.692 1.00 0.00 H new ATOM 0 HB ILE A 113 0.926 9.584 10.193 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.173 8.668 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.345 9.068 9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.951 10.975 10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.570 11.895 10.891 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.670 12.103 9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.144 9.746 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.893 11.171 8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.703 10.765 7.001 1.00 0.00 H new