USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=34 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= 0.207 X(o=0.46,f=0.0036) USER MOD Set 1.2: A 110 TYR OH : rot 101:sc= 0.257 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -0.0042 K(o=0.46,f=-1.3) USER MOD Set 2.1: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 108:sc= 1.36 USER MOD Set 3.1: A 68 HIS : no HD1:sc= 0.599 K(o=1.8,f=-4!) USER MOD Set 3.2: A 88 TYR OH : rot 15:sc= 1.24 USER MOD Set 4.1: A 76 ASN : amide:sc= 1.01 K(o=2.5,f=0.74) USER MOD Set 4.2: A 80 SER OG : rot -104:sc= 1.47 USER MOD Set 4.3: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 60 GLN : amide:sc= 1.75 K(o=2.9,f=-3.6!) USER MOD Set 5.2: A 62 SER OG : rot -119:sc= 0.889 USER MOD Set 5.3: A 109 ASN : amide:sc= 0.209 K(o=2.9,f=2.1) USER MOD Set 6.1: A 55 LYS NZ :NH3+ -122:sc= 0.846 (180deg=0.88) USER MOD Set 6.2: A 74 SER OG : rot 180:sc= 0.577 USER MOD Set 7.1: A 19 TYR OH : rot 30:sc= -0.0169 USER MOD Set 7.2: A 84 SER OG : rot -136:sc= -0.574 USER MOD Set 8.1: A 15 GLN : amide:sc= -0.597 X(o=-2.4,f=-1.9) USER MOD Set 8.2: A 87 ASN : amide:sc= -1.78! C(o=-2.4!,f=-10!) USER MOD Single : A 9 ASN : amide:sc= -5.47! C(o=-5.5!,f=-16!) USER MOD Single : A 11 TYR OH : rot 26:sc= 1.25 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 170:sc= -0.0712 USER MOD Single : A 17 THR OG1 : rot 155:sc= 0.705 USER MOD Single : A 21 TYR OH : rot -73:sc= 0.0795 USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= 1.29 (180deg=1.04) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.739 K(o=0.74,f=-4.7!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 37 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.61) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.3 USER MOD Single : A 51 HIS : no HE2:sc= 0.697 K(o=0.7,f=-4.9!) USER MOD Single : A 52 THR OG1 : rot -8:sc= 0.908 USER MOD Single : A 54 SER OG : rot 180:sc= -0.146 USER MOD Single : A 61 SER OG : rot 82:sc= 1.47 USER MOD Single : A 71 TYR OH : rot 15:sc= -0.605 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -110:sc= -0.721 (180deg=-1.02) USER MOD Single : A 89 SER OG : rot -43:sc= 0.22 USER MOD Single : A 94 SER OG : rot -170: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= -0.113 K(o=-0.11,f=-1.1) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -14.431 2.012 3.015 1.00 0.00 N ATOM 99 CA ASN A 9 -13.593 2.570 1.970 1.00 0.00 C ATOM 100 C ASN A 9 -14.467 2.975 0.788 1.00 0.00 C ATOM 101 O ASN A 9 -15.496 2.354 0.525 1.00 0.00 O ATOM 102 CB ASN A 9 -12.536 1.545 1.538 1.00 0.00 C ATOM 103 CG ASN A 9 -11.431 2.130 0.666 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.619 3.114 -0.040 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.264 1.517 0.699 1.00 0.00 N ATOM 0 HA ASN A 9 -13.075 3.452 2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.088 1.102 2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.027 0.738 0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.491 1.860 0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.134 0.700 1.295 1.00 0.00 H new ATOM 112 N LEU A 10 -14.060 4.022 0.094 1.00 0.00 N ATOM 113 CA LEU A 10 -14.794 4.531 -1.055 1.00 0.00 C ATOM 114 C LEU A 10 -14.424 3.761 -2.316 1.00 0.00 C ATOM 115 O LEU A 10 -15.010 3.965 -3.380 1.00 0.00 O ATOM 116 CB LEU A 10 -14.453 6.004 -1.255 1.00 0.00 C ATOM 117 CG LEU A 10 -14.734 6.909 -0.055 1.00 0.00 C ATOM 118 CD1 LEU A 10 -14.262 8.325 -0.338 1.00 0.00 C ATOM 119 CD2 LEU A 10 -16.216 6.899 0.291 1.00 0.00 C ATOM 0 H LEU A 10 -13.211 4.545 0.309 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.861 4.410 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.396 6.084 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.016 6.377 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.181 6.524 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.469 8.957 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.190 8.319 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.788 8.717 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.394 7.549 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.791 7.257 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.526 5.883 0.536 1.00 0.00 H new ATOM 131 N TYR A 11 -13.440 2.886 -2.193 1.00 0.00 N ATOM 132 CA TYR A 11 -12.889 2.194 -3.341 1.00 0.00 C ATOM 133 C TYR A 11 -13.686 0.942 -3.692 1.00 0.00 C ATOM 134 O TYR A 11 -14.682 0.607 -3.045 1.00 0.00 O ATOM 135 CB TYR A 11 -11.427 1.831 -3.085 1.00 0.00 C ATOM 136 CG TYR A 11 -10.488 2.407 -4.115 1.00 0.00 C ATOM 137 CD1 TYR A 11 -9.994 3.696 -3.982 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.110 1.669 -5.228 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.147 4.236 -4.930 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.265 2.200 -6.181 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.786 3.484 -6.027 1.00 0.00 C ATOM 142 OH TYR A 11 -7.946 4.018 -6.973 1.00 0.00 O ATOM 0 H TYR A 11 -13.006 2.639 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.952 2.872 -4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.137 2.189 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.324 0.746 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.276 4.287 -3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.483 0.663 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.770 5.241 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.981 1.614 -7.042 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.387 4.710 -6.561 1.00 0.00 H new ATOM 152 N THR A 12 -13.213 0.256 -4.717 1.00 0.00 N ATOM 153 CA THR A 12 -13.891 -0.906 -5.262 1.00 0.00 C ATOM 154 C THR A 12 -13.645 -2.136 -4.386 1.00 0.00 C ATOM 155 O THR A 12 -12.701 -2.167 -3.596 1.00 0.00 O ATOM 156 CB THR A 12 -13.407 -1.165 -6.704 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.284 0.088 -7.391 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.377 -2.056 -7.466 1.00 0.00 C ATOM 0 H THR A 12 -12.344 0.490 -5.197 1.00 0.00 H new ATOM 0 HA THR A 12 -14.963 -0.711 -5.277 1.00 0.00 H new ATOM 0 HB THR A 12 -12.444 -1.673 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.975 -0.070 -8.307 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.005 -2.218 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.468 -3.015 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.354 -1.575 -7.511 1.00 0.00 H new ATOM 166 N ALA A 13 -14.494 -3.143 -4.535 1.00 0.00 N ATOM 167 CA ALA A 13 -14.457 -4.317 -3.682 1.00 0.00 C ATOM 168 C ALA A 13 -13.197 -5.140 -3.916 1.00 0.00 C ATOM 169 O ALA A 13 -13.079 -5.845 -4.920 1.00 0.00 O ATOM 170 CB ALA A 13 -15.699 -5.169 -3.905 1.00 0.00 C ATOM 0 H ALA A 13 -15.223 -3.167 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.441 -3.977 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.659 -6.046 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.588 -4.585 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.740 -5.487 -4.947 1.00 0.00 H new ATOM 176 N GLY A 14 -12.250 -5.030 -2.997 1.00 0.00 N ATOM 177 CA GLY A 14 -11.037 -5.810 -3.097 1.00 0.00 C ATOM 178 C GLY A 14 -10.050 -5.198 -4.064 1.00 0.00 C ATOM 179 O GLY A 14 -9.796 -5.740 -5.135 1.00 0.00 O ATOM 0 H GLY A 14 -12.301 -4.415 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.577 -5.893 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.282 -6.822 -3.420 1.00 0.00 H new ATOM 183 N GLN A 15 -9.523 -4.045 -3.702 1.00 0.00 N ATOM 184 CA GLN A 15 -8.497 -3.384 -4.503 1.00 0.00 C ATOM 185 C GLN A 15 -7.202 -3.292 -3.718 1.00 0.00 C ATOM 186 O GLN A 15 -7.209 -3.414 -2.492 1.00 0.00 O ATOM 187 CB GLN A 15 -8.953 -1.980 -4.907 1.00 0.00 C ATOM 188 CG GLN A 15 -10.229 -1.974 -5.719 1.00 0.00 C ATOM 189 CD GLN A 15 -10.022 -2.430 -7.145 1.00 0.00 C ATOM 190 OE1 GLN A 15 -9.834 -1.618 -8.043 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.990 -3.735 -7.354 1.00 0.00 N ATOM 0 H GLN A 15 -9.786 -3.540 -2.856 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.332 -3.974 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.100 -1.381 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.162 -1.501 -5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.962 -2.622 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.647 -0.967 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.152 -4.380 -6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.804 -4.097 -8.289 1.00 0.00 H new ATOM 200 N CYS A 16 -6.102 -3.068 -4.422 1.00 0.00 N ATOM 201 CA CYS A 16 -4.808 -2.901 -3.779 1.00 0.00 C ATOM 202 C CYS A 16 -4.846 -1.707 -2.840 1.00 0.00 C ATOM 203 O CYS A 16 -4.443 -1.796 -1.685 1.00 0.00 O ATOM 204 CB CYS A 16 -3.716 -2.719 -4.834 1.00 0.00 C ATOM 205 SG CYS A 16 -4.144 -1.542 -6.140 1.00 0.00 S ATOM 0 H CYS A 16 -6.080 -2.998 -5.439 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.581 -3.795 -3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.802 -2.384 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.498 -3.686 -5.287 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.091 -1.292 -6.861 1.00 0.00 H new ATOM 211 N THR A 17 -5.390 -0.605 -3.334 1.00 0.00 N ATOM 212 CA THR A 17 -5.476 0.622 -2.558 1.00 0.00 C ATOM 213 C THR A 17 -6.579 0.513 -1.507 1.00 0.00 C ATOM 214 O THR A 17 -6.513 1.124 -0.441 1.00 0.00 O ATOM 215 CB THR A 17 -5.749 1.823 -3.482 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.797 1.489 -4.400 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.502 2.216 -4.260 1.00 0.00 C ATOM 0 H THR A 17 -5.780 -0.536 -4.274 1.00 0.00 H new ATOM 0 HA THR A 17 -4.523 0.775 -2.052 1.00 0.00 H new ATOM 0 HB THR A 17 -6.047 2.669 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.241 2.309 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.727 3.067 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.709 2.488 -3.563 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.175 1.375 -4.872 1.00 0.00 H new ATOM 225 N TRP A 18 -7.585 -0.289 -1.824 1.00 0.00 N ATOM 226 CA TRP A 18 -8.706 -0.525 -0.932 1.00 0.00 C ATOM 227 C TRP A 18 -8.235 -1.226 0.343 1.00 0.00 C ATOM 228 O TRP A 18 -8.538 -0.793 1.458 1.00 0.00 O ATOM 229 CB TRP A 18 -9.741 -1.380 -1.663 1.00 0.00 C ATOM 230 CG TRP A 18 -10.990 -1.671 -0.889 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.109 -0.894 -0.812 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.262 -2.844 -0.112 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.050 -1.506 -0.023 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.555 -2.701 0.418 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.535 -3.997 0.193 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.140 -3.667 1.233 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.116 -4.954 1.002 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.406 -4.785 1.513 1.00 0.00 C ATOM 0 H TRP A 18 -7.645 -0.794 -2.708 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.154 0.426 -0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.016 -0.876 -2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.276 -2.326 -1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.235 0.061 -1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.972 -1.129 0.199 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.537 -4.138 -0.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.136 -3.537 1.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.563 -5.850 1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.831 -5.553 2.142 1.00 0.00 H new ATOM 249 N TYR A 19 -7.470 -2.296 0.164 1.00 0.00 N ATOM 250 CA TYR A 19 -7.005 -3.103 1.283 1.00 0.00 C ATOM 251 C TYR A 19 -5.965 -2.360 2.113 1.00 0.00 C ATOM 252 O TYR A 19 -5.952 -2.459 3.337 1.00 0.00 O ATOM 253 CB TYR A 19 -6.430 -4.413 0.765 1.00 0.00 C ATOM 254 CG TYR A 19 -5.978 -5.361 1.849 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.883 -5.899 2.755 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.646 -5.731 1.954 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.471 -6.779 3.735 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.228 -6.612 2.926 1.00 0.00 C ATOM 259 CZ TYR A 19 -5.142 -7.136 3.814 1.00 0.00 C ATOM 260 OH TYR A 19 -4.723 -8.018 4.786 1.00 0.00 O ATOM 0 H TYR A 19 -7.158 -2.625 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.856 -3.311 1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.182 -4.911 0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.584 -4.193 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.926 -5.624 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.925 -5.322 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.185 -7.185 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.187 -6.891 2.992 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.452 -8.636 5.003 1.00 0.00 H new ATOM 270 N VAL A 20 -5.088 -1.628 1.442 1.00 0.00 N ATOM 271 CA VAL A 20 -4.104 -0.804 2.136 1.00 0.00 C ATOM 272 C VAL A 20 -4.796 0.173 3.082 1.00 0.00 C ATOM 273 O VAL A 20 -4.379 0.346 4.229 1.00 0.00 O ATOM 274 CB VAL A 20 -3.210 -0.028 1.144 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.340 0.988 1.871 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.340 -0.994 0.356 1.00 0.00 C ATOM 0 H VAL A 20 -5.036 -1.586 0.424 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.467 -1.474 2.713 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.858 0.512 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.721 1.520 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.975 1.700 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.700 0.473 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.714 -0.435 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.707 -1.556 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.974 -1.684 -0.200 1.00 0.00 H new ATOM 286 N TYR A 21 -5.875 0.783 2.609 1.00 0.00 N ATOM 287 CA TYR A 21 -6.629 1.727 3.418 1.00 0.00 C ATOM 288 C TYR A 21 -7.311 1.006 4.584 1.00 0.00 C ATOM 289 O TYR A 21 -7.423 1.549 5.685 1.00 0.00 O ATOM 290 CB TYR A 21 -7.664 2.460 2.558 1.00 0.00 C ATOM 291 CG TYR A 21 -8.295 3.636 3.255 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.550 4.768 3.549 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.630 3.611 3.631 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.115 5.841 4.200 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.205 4.683 4.277 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.444 5.797 4.561 1.00 0.00 C ATOM 297 OH TYR A 21 -10.013 6.864 5.217 1.00 0.00 O ATOM 0 H TYR A 21 -6.246 0.640 1.670 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.938 2.464 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.185 2.804 1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.445 1.758 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.509 4.808 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.227 2.738 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.520 6.713 4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.247 4.651 4.560 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.692 6.888 6.143 1.00 0.00 H new ATOM 307 N ASP A 22 -7.752 -0.222 4.334 1.00 0.00 N ATOM 308 CA ASP A 22 -8.353 -1.058 5.376 1.00 0.00 C ATOM 309 C ASP A 22 -7.342 -1.360 6.480 1.00 0.00 C ATOM 310 O ASP A 22 -7.624 -1.189 7.666 1.00 0.00 O ATOM 311 CB ASP A 22 -8.866 -2.367 4.762 1.00 0.00 C ATOM 312 CG ASP A 22 -9.383 -3.358 5.794 1.00 0.00 C ATOM 313 OD1 ASP A 22 -10.576 -3.279 6.168 1.00 0.00 O ATOM 314 OD2 ASP A 22 -8.607 -4.245 6.209 1.00 0.00 O ATOM 0 H ASP A 22 -7.706 -0.665 3.416 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.189 -0.514 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.665 -2.140 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.061 -2.833 4.194 1.00 0.00 H new ATOM 319 N LYS A 23 -6.151 -1.774 6.072 1.00 0.00 N ATOM 320 CA LYS A 23 -5.102 -2.178 7.007 1.00 0.00 C ATOM 321 C LYS A 23 -4.607 -1.020 7.868 1.00 0.00 C ATOM 322 O LYS A 23 -4.228 -1.222 9.020 1.00 0.00 O ATOM 323 CB LYS A 23 -3.933 -2.795 6.246 1.00 0.00 C ATOM 324 CG LYS A 23 -4.255 -4.146 5.633 1.00 0.00 C ATOM 325 CD LYS A 23 -4.449 -5.212 6.700 1.00 0.00 C ATOM 326 CE LYS A 23 -3.130 -5.603 7.350 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.285 -6.724 8.314 1.00 0.00 N ATOM 0 H LYS A 23 -5.882 -1.840 5.090 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.539 -2.917 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.623 -2.111 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.086 -2.905 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.159 -4.066 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.449 -4.444 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.135 -4.843 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.911 -6.093 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.417 -5.888 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.712 -4.739 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.447 -7.338 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.385 -6.343 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.132 -7.276 8.071 1.00 0.00 H new ATOM 341 N VAL A 24 -4.606 0.189 7.323 1.00 0.00 N ATOM 342 CA VAL A 24 -4.143 1.352 8.078 1.00 0.00 C ATOM 343 C VAL A 24 -5.251 1.910 8.964 1.00 0.00 C ATOM 344 O VAL A 24 -5.086 2.950 9.601 1.00 0.00 O ATOM 345 CB VAL A 24 -3.618 2.475 7.159 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.446 1.987 6.328 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.727 3.006 6.266 1.00 0.00 C ATOM 0 H VAL A 24 -4.916 0.392 6.373 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.319 1.003 8.700 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.270 3.293 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.092 2.795 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.640 1.668 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.763 1.147 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.333 3.797 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.113 2.197 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.531 3.406 6.883 1.00 0.00 H new ATOM 357 N GLY A 25 -6.385 1.221 8.984 1.00 0.00 N ATOM 358 CA GLY A 25 -7.499 1.638 9.815 1.00 0.00 C ATOM 359 C GLY A 25 -8.155 2.900 9.301 1.00 0.00 C ATOM 360 O GLY A 25 -8.756 3.653 10.067 1.00 0.00 O ATOM 0 H GLY A 25 -6.554 0.377 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.238 0.838 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.148 1.802 10.834 1.00 0.00 H new ATOM 364 N GLY A 26 -8.035 3.128 7.998 1.00 0.00 N ATOM 365 CA GLY A 26 -8.603 4.314 7.390 1.00 0.00 C ATOM 366 C GLY A 26 -8.015 5.594 7.947 1.00 0.00 C ATOM 367 O GLY A 26 -8.725 6.579 8.131 1.00 0.00 O ATOM 0 H GLY A 26 -7.551 2.507 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.437 4.281 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.682 4.316 7.546 1.00 0.00 H new ATOM 371 N GLU A 27 -6.717 5.581 8.216 1.00 0.00 N ATOM 372 CA GLU A 27 -6.055 6.729 8.816 1.00 0.00 C ATOM 373 C GLU A 27 -5.441 7.643 7.760 1.00 0.00 C ATOM 374 O GLU A 27 -5.684 8.851 7.759 1.00 0.00 O ATOM 375 CB GLU A 27 -4.989 6.260 9.808 1.00 0.00 C ATOM 376 CG GLU A 27 -4.177 7.390 10.413 1.00 0.00 C ATOM 377 CD GLU A 27 -3.354 6.943 11.602 1.00 0.00 C ATOM 378 OE1 GLU A 27 -2.843 5.805 11.584 1.00 0.00 O ATOM 379 OE2 GLU A 27 -3.242 7.722 12.572 1.00 0.00 O ATOM 0 H GLU A 27 -6.103 4.789 8.028 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.808 7.309 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.473 5.702 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.314 5.570 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.515 7.804 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.849 8.191 10.721 1.00 0.00 H new ATOM 386 N ILE A 28 -4.648 7.072 6.861 1.00 0.00 N ATOM 387 CA ILE A 28 -3.988 7.871 5.836 1.00 0.00 C ATOM 388 C ILE A 28 -4.876 8.056 4.595 1.00 0.00 C ATOM 389 O ILE A 28 -6.102 8.092 4.710 1.00 0.00 O ATOM 390 CB ILE A 28 -2.575 7.321 5.466 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.525 5.792 5.438 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.533 7.847 6.442 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.899 5.182 4.122 1.00 0.00 C ATOM 0 H ILE A 28 -4.448 6.073 6.820 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.829 8.859 6.268 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.355 7.674 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.518 5.469 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.194 5.405 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.552 7.456 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.513 8.936 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.786 7.526 7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.836 4.096 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.918 5.470 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.215 5.535 3.350 1.00 0.00 H new ATOM 405 N GLY A 29 -4.247 8.182 3.430 1.00 0.00 N ATOM 406 CA GLY A 29 -4.923 8.641 2.220 1.00 0.00 C ATOM 407 C GLY A 29 -6.207 7.911 1.876 1.00 0.00 C ATOM 408 O GLY A 29 -6.231 6.694 1.757 1.00 0.00 O ATOM 0 H GLY A 29 -3.258 7.970 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.146 9.702 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.234 8.545 1.381 1.00 0.00 H new ATOM 412 N SER A 30 -7.276 8.669 1.716 1.00 0.00 N ATOM 413 CA SER A 30 -8.508 8.144 1.153 1.00 0.00 C ATOM 414 C SER A 30 -8.732 8.758 -0.223 1.00 0.00 C ATOM 415 O SER A 30 -9.539 8.277 -1.020 1.00 0.00 O ATOM 416 CB SER A 30 -9.689 8.439 2.078 1.00 0.00 C ATOM 417 OG SER A 30 -9.597 9.747 2.625 1.00 0.00 O ATOM 0 H SER A 30 -7.316 9.656 1.969 1.00 0.00 H new ATOM 0 HA SER A 30 -8.427 7.062 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.622 8.338 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.716 7.706 2.884 1.00 0.00 H new ATOM 0 HG SER A 30 -10.365 9.911 3.211 1.00 0.00 H new ATOM 423 N THR A 31 -7.986 9.824 -0.493 1.00 0.00 N ATOM 424 CA THR A 31 -8.081 10.542 -1.751 1.00 0.00 C ATOM 425 C THR A 31 -6.745 10.524 -2.490 1.00 0.00 C ATOM 426 O THR A 31 -6.465 11.399 -3.311 1.00 0.00 O ATOM 427 CB THR A 31 -8.512 12.001 -1.510 1.00 0.00 C ATOM 428 OG1 THR A 31 -7.705 12.585 -0.475 1.00 0.00 O ATOM 429 CG2 THR A 31 -9.980 12.074 -1.118 1.00 0.00 C ATOM 0 H THR A 31 -7.301 10.211 0.156 1.00 0.00 H new ATOM 0 HA THR A 31 -8.831 10.041 -2.363 1.00 0.00 H new ATOM 0 HB THR A 31 -8.373 12.557 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.983 13.513 -0.328 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.261 13.114 -0.953 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.591 11.655 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.141 11.505 -0.202 1.00 0.00 H new ATOM 437 N TRP A 32 -5.927 9.512 -2.209 1.00 0.00 N ATOM 438 CA TRP A 32 -4.613 9.402 -2.840 1.00 0.00 C ATOM 439 C TRP A 32 -4.724 8.998 -4.316 1.00 0.00 C ATOM 440 O TRP A 32 -3.733 9.005 -5.049 1.00 0.00 O ATOM 441 CB TRP A 32 -3.727 8.409 -2.082 1.00 0.00 C ATOM 442 CG TRP A 32 -4.345 7.062 -1.957 1.00 0.00 C ATOM 443 CD1 TRP A 32 -5.106 6.445 -2.888 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.251 6.166 -0.856 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.516 5.234 -2.441 1.00 0.00 N ATOM 446 CE2 TRP A 32 -5.004 5.026 -1.189 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.610 6.216 0.377 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.135 3.941 -0.331 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.741 5.138 1.230 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.498 4.014 0.875 1.00 0.00 C ATOM 0 H TRP A 32 -6.148 8.762 -1.554 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.150 10.388 -2.798 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.770 8.318 -2.596 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.519 8.802 -1.087 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.353 6.860 -3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.110 4.583 -2.954 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.024 7.077 0.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.717 3.074 -0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.249 5.162 2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.579 3.190 1.568 1.00 0.00 H new ATOM 461 N GLY A 33 -5.927 8.636 -4.745 1.00 0.00 N ATOM 462 CA GLY A 33 -6.108 8.181 -6.101 1.00 0.00 C ATOM 463 C GLY A 33 -5.868 6.698 -6.237 1.00 0.00 C ATOM 464 O GLY A 33 -6.525 5.885 -5.584 1.00 0.00 O ATOM 0 H GLY A 33 -6.774 8.651 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.120 8.416 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.426 8.720 -6.758 1.00 0.00 H new ATOM 468 N ASN A 34 -4.918 6.343 -7.080 1.00 0.00 N ATOM 469 CA ASN A 34 -4.530 4.957 -7.245 1.00 0.00 C ATOM 470 C ASN A 34 -3.059 4.788 -6.901 1.00 0.00 C ATOM 471 O ASN A 34 -2.402 5.742 -6.491 1.00 0.00 O ATOM 472 CB ASN A 34 -4.799 4.468 -8.668 1.00 0.00 C ATOM 473 CG ASN A 34 -3.979 5.208 -9.705 1.00 0.00 C ATOM 474 OD1 ASN A 34 -2.839 4.840 -9.990 1.00 0.00 O ATOM 475 ND2 ASN A 34 -4.558 6.249 -10.281 1.00 0.00 N ATOM 0 H ASN A 34 -4.399 6.999 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.132 4.353 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.579 3.402 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.858 4.588 -8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.058 6.782 -10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.505 6.518 -10.014 1.00 0.00 H new ATOM 482 N ALA A 35 -2.542 3.586 -7.106 1.00 0.00 N ATOM 483 CA ALA A 35 -1.207 3.225 -6.645 1.00 0.00 C ATOM 484 C ALA A 35 -0.096 4.017 -7.339 1.00 0.00 C ATOM 485 O ALA A 35 1.001 4.154 -6.799 1.00 0.00 O ATOM 486 CB ALA A 35 -0.990 1.734 -6.835 1.00 0.00 C ATOM 0 H ALA A 35 -3.032 2.836 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.151 3.481 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.008 1.465 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.734 1.182 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.089 1.484 -7.891 1.00 0.00 H new ATOM 492 N ASN A 36 -0.370 4.528 -8.532 1.00 0.00 N ATOM 493 CA ASN A 36 0.636 5.267 -9.296 1.00 0.00 C ATOM 494 C ASN A 36 0.652 6.737 -8.886 1.00 0.00 C ATOM 495 O ASN A 36 1.688 7.398 -8.923 1.00 0.00 O ATOM 496 CB ASN A 36 0.353 5.144 -10.799 1.00 0.00 C ATOM 497 CG ASN A 36 1.488 5.666 -11.659 1.00 0.00 C ATOM 498 OD1 ASN A 36 1.566 6.856 -11.959 1.00 0.00 O ATOM 499 ND2 ASN A 36 2.361 4.769 -12.084 1.00 0.00 N ATOM 0 H ASN A 36 -1.276 4.447 -8.993 1.00 0.00 H new ATOM 0 HA ASN A 36 1.615 4.837 -9.081 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.170 4.098 -11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.558 5.692 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.135 5.055 -12.684 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.261 3.791 -11.812 1.00 0.00 H new ATOM 506 N ASN A 37 -0.501 7.226 -8.461 1.00 0.00 N ATOM 507 CA ASN A 37 -0.669 8.636 -8.110 1.00 0.00 C ATOM 508 C ASN A 37 -0.423 8.845 -6.617 1.00 0.00 C ATOM 509 O ASN A 37 -0.525 9.959 -6.104 1.00 0.00 O ATOM 510 CB ASN A 37 -2.087 9.085 -8.496 1.00 0.00 C ATOM 511 CG ASN A 37 -2.351 10.563 -8.257 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.992 11.409 -9.076 1.00 0.00 O ATOM 513 ND2 ASN A 37 -3.013 10.880 -7.152 1.00 0.00 N ATOM 0 H ASN A 37 -1.345 6.665 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 37 0.058 9.237 -8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.254 8.862 -9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.810 8.500 -7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.242 11.855 -6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.293 10.149 -6.498 1.00 0.00 H new ATOM 520 N TRP A 38 -0.053 7.764 -5.943 1.00 0.00 N ATOM 521 CA TRP A 38 0.067 7.744 -4.490 1.00 0.00 C ATOM 522 C TRP A 38 0.915 8.873 -3.935 1.00 0.00 C ATOM 523 O TRP A 38 0.395 9.757 -3.262 1.00 0.00 O ATOM 524 CB TRP A 38 0.650 6.423 -4.027 1.00 0.00 C ATOM 525 CG TRP A 38 -0.330 5.614 -3.268 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.608 5.336 -3.629 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.110 4.977 -2.014 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.210 4.575 -2.673 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.309 4.341 -1.658 1.00 0.00 C ATOM 530 CE3 TRP A 38 0.986 4.887 -1.159 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.439 3.628 -0.469 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.852 4.175 0.013 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.350 3.562 0.349 1.00 0.00 C ATOM 0 H TRP A 38 0.173 6.875 -6.389 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.945 7.877 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.994 5.856 -4.892 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.523 6.612 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.079 5.670 -4.542 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.171 4.234 -2.704 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.921 5.365 -1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.368 3.145 -0.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.695 4.092 0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.423 3.020 1.281 1.00 0.00 H new ATOM 544 N ALA A 39 2.215 8.839 -4.210 1.00 0.00 N ATOM 545 CA ALA A 39 3.146 9.793 -3.618 1.00 0.00 C ATOM 546 C ALA A 39 2.696 11.233 -3.856 1.00 0.00 C ATOM 547 O ALA A 39 2.760 12.062 -2.953 1.00 0.00 O ATOM 548 CB ALA A 39 4.551 9.569 -4.155 1.00 0.00 C ATOM 0 H ALA A 39 2.647 8.162 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 39 3.157 9.626 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.233 10.289 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.877 8.558 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.552 9.699 -5.237 1.00 0.00 H new ATOM 554 N ALA A 40 2.199 11.506 -5.057 1.00 0.00 N ATOM 555 CA ALA A 40 1.726 12.839 -5.413 1.00 0.00 C ATOM 556 C ALA A 40 0.557 13.271 -4.528 1.00 0.00 C ATOM 557 O ALA A 40 0.577 14.358 -3.946 1.00 0.00 O ATOM 558 CB ALA A 40 1.326 12.879 -6.881 1.00 0.00 C ATOM 0 H ALA A 40 2.113 10.818 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 40 2.543 13.542 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.975 13.879 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.188 12.629 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.529 12.158 -7.061 1.00 0.00 H new ATOM 564 N ALA A 41 -0.449 12.410 -4.415 1.00 0.00 N ATOM 565 CA ALA A 41 -1.632 12.710 -3.612 1.00 0.00 C ATOM 566 C ALA A 41 -1.308 12.695 -2.121 1.00 0.00 C ATOM 567 O ALA A 41 -1.846 13.488 -1.345 1.00 0.00 O ATOM 568 CB ALA A 41 -2.745 11.718 -3.917 1.00 0.00 C ATOM 0 H ALA A 41 -0.470 11.497 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.968 13.713 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.620 11.955 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.008 11.780 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.406 10.708 -3.686 1.00 0.00 H new ATOM 574 N ALA A 42 -0.422 11.791 -1.738 1.00 0.00 N ATOM 575 CA ALA A 42 -0.018 11.630 -0.351 1.00 0.00 C ATOM 576 C ALA A 42 0.750 12.849 0.152 1.00 0.00 C ATOM 577 O ALA A 42 0.536 13.308 1.275 1.00 0.00 O ATOM 578 CB ALA A 42 0.834 10.389 -0.217 1.00 0.00 C ATOM 0 H ALA A 42 0.038 11.147 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.916 11.529 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.138 10.267 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.260 9.518 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.720 10.486 -0.845 1.00 0.00 H new ATOM 584 N GLN A 43 1.650 13.369 -0.680 1.00 0.00 N ATOM 585 CA GLN A 43 2.417 14.560 -0.325 1.00 0.00 C ATOM 586 C GLN A 43 1.486 15.744 -0.101 1.00 0.00 C ATOM 587 O GLN A 43 1.685 16.534 0.822 1.00 0.00 O ATOM 588 CB GLN A 43 3.444 14.896 -1.409 1.00 0.00 C ATOM 589 CG GLN A 43 4.588 13.899 -1.494 1.00 0.00 C ATOM 590 CD GLN A 43 5.592 14.240 -2.577 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.471 13.798 -3.720 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.587 15.035 -2.225 1.00 0.00 N ATOM 0 H GLN A 43 1.865 12.986 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 43 2.953 14.351 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.940 14.940 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.852 15.888 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.099 13.858 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.183 12.905 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.650 15.379 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.292 15.304 -2.911 1.00 0.00 H new ATOM 601 N GLY A 44 0.450 15.837 -0.928 1.00 0.00 N ATOM 602 CA GLY A 44 -0.519 16.905 -0.788 1.00 0.00 C ATOM 603 C GLY A 44 -1.445 16.687 0.391 1.00 0.00 C ATOM 604 O GLY A 44 -2.185 17.590 0.785 1.00 0.00 O ATOM 0 H GLY A 44 0.265 15.189 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.004 17.854 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.109 16.980 -1.702 1.00 0.00 H new ATOM 608 N ALA A 45 -1.410 15.485 0.952 1.00 0.00 N ATOM 609 CA ALA A 45 -2.223 15.161 2.112 1.00 0.00 C ATOM 610 C ALA A 45 -1.470 15.474 3.400 1.00 0.00 C ATOM 611 O ALA A 45 -2.061 15.525 4.479 1.00 0.00 O ATOM 612 CB ALA A 45 -2.641 13.699 2.077 1.00 0.00 C ATOM 0 H ALA A 45 -0.825 14.718 0.620 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.122 15.776 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.249 13.473 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.221 13.508 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.753 13.067 2.079 1.00 0.00 H new ATOM 618 N GLY A 46 -0.162 15.685 3.276 1.00 0.00 N ATOM 619 CA GLY A 46 0.652 16.024 4.429 1.00 0.00 C ATOM 620 C GLY A 46 1.377 14.825 5.007 1.00 0.00 C ATOM 621 O GLY A 46 1.682 14.788 6.204 1.00 0.00 O ATOM 0 H GLY A 46 0.349 15.627 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.382 16.781 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.019 16.466 5.198 1.00 0.00 H new ATOM 625 N PHE A 47 1.653 13.836 4.170 1.00 0.00 N ATOM 626 CA PHE A 47 2.364 12.647 4.622 1.00 0.00 C ATOM 627 C PHE A 47 3.866 12.854 4.495 1.00 0.00 C ATOM 628 O PHE A 47 4.325 13.699 3.726 1.00 0.00 O ATOM 629 CB PHE A 47 1.971 11.404 3.809 1.00 0.00 C ATOM 630 CG PHE A 47 0.512 11.031 3.858 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.387 11.716 4.660 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.045 9.988 3.077 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.723 11.366 4.676 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.287 9.634 3.085 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.172 10.328 3.887 1.00 0.00 C ATOM 0 H PHE A 47 1.399 13.831 3.182 1.00 0.00 H new ATOM 0 HA PHE A 47 2.089 12.486 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.251 11.568 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.557 10.557 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.040 12.531 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.736 9.443 2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.415 11.905 5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.637 8.819 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.217 10.057 3.896 1.00 0.00 H new ATOM 645 N THR A 48 4.622 12.081 5.252 1.00 0.00 N ATOM 646 CA THR A 48 6.064 12.058 5.119 1.00 0.00 C ATOM 647 C THR A 48 6.440 10.977 4.112 1.00 0.00 C ATOM 648 O THR A 48 6.417 9.782 4.426 1.00 0.00 O ATOM 649 CB THR A 48 6.744 11.778 6.474 1.00 0.00 C ATOM 650 OG1 THR A 48 6.174 12.621 7.488 1.00 0.00 O ATOM 651 CG2 THR A 48 8.243 12.026 6.393 1.00 0.00 C ATOM 0 H THR A 48 4.256 11.456 5.971 1.00 0.00 H new ATOM 0 HA THR A 48 6.407 13.033 4.773 1.00 0.00 H new ATOM 0 HB THR A 48 6.578 10.731 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.257 12.331 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.699 11.821 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.680 11.370 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.426 13.065 6.119 1.00 0.00 H new ATOM 659 N VAL A 49 6.735 11.396 2.892 1.00 0.00 N ATOM 660 CA VAL A 49 6.956 10.463 1.800 1.00 0.00 C ATOM 661 C VAL A 49 8.441 10.235 1.561 1.00 0.00 C ATOM 662 O VAL A 49 9.149 11.117 1.078 1.00 0.00 O ATOM 663 CB VAL A 49 6.296 10.965 0.499 1.00 0.00 C ATOM 664 CG1 VAL A 49 6.451 9.945 -0.620 1.00 0.00 C ATOM 665 CG2 VAL A 49 4.827 11.277 0.739 1.00 0.00 C ATOM 0 H VAL A 49 6.827 12.378 2.633 1.00 0.00 H new ATOM 0 HA VAL A 49 6.497 9.517 2.088 1.00 0.00 H new ATOM 0 HB VAL A 49 6.801 11.880 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.977 10.324 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.510 9.772 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.977 9.008 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.374 11.630 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.314 10.376 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.739 12.049 1.503 1.00 0.00 H new ATOM 675 N ASN A 50 8.908 9.052 1.927 1.00 0.00 N ATOM 676 CA ASN A 50 10.275 8.652 1.671 1.00 0.00 C ATOM 677 C ASN A 50 10.219 7.407 0.804 1.00 0.00 C ATOM 678 O ASN A 50 9.319 7.260 -0.020 1.00 0.00 O ATOM 679 CB ASN A 50 11.016 8.329 2.978 1.00 0.00 C ATOM 680 CG ASN A 50 10.740 9.306 4.105 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.539 10.501 3.890 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.713 8.787 5.326 1.00 0.00 N ATOM 0 H ASN A 50 8.349 8.347 2.408 1.00 0.00 H new ATOM 0 HA ASN A 50 10.812 9.463 1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.736 7.327 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.088 8.312 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.520 9.384 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.885 7.791 5.461 1.00 0.00 H new ATOM 689 N HIS A 51 11.141 6.491 1.023 1.00 0.00 N ATOM 690 CA HIS A 51 11.119 5.224 0.310 1.00 0.00 C ATOM 691 C HIS A 51 11.891 4.147 1.074 1.00 0.00 C ATOM 692 O HIS A 51 13.064 3.885 0.812 1.00 0.00 O ATOM 693 CB HIS A 51 11.639 5.380 -1.136 1.00 0.00 C ATOM 694 CG HIS A 51 13.071 5.826 -1.264 1.00 0.00 C ATOM 695 ND1 HIS A 51 14.031 5.082 -1.913 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.701 6.944 -0.830 1.00 0.00 C ATOM 697 CE1 HIS A 51 15.184 5.719 -1.871 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.016 6.854 -1.217 1.00 0.00 N ATOM 0 H HIS A 51 11.911 6.596 1.684 1.00 0.00 H new ATOM 0 HA HIS A 51 10.081 4.899 0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.527 4.425 -1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.005 6.098 -1.656 1.00 0.00 H new ATOM 0 HD1 HIS A 51 13.874 4.178 -2.358 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.251 7.758 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.112 5.371 -2.300 1.00 0.00 H new ATOM 707 N THR A 52 11.216 3.562 2.052 1.00 0.00 N ATOM 708 CA THR A 52 11.780 2.520 2.902 1.00 0.00 C ATOM 709 C THR A 52 10.651 1.826 3.661 1.00 0.00 C ATOM 710 O THR A 52 10.089 2.409 4.580 1.00 0.00 O ATOM 711 CB THR A 52 12.780 3.097 3.938 1.00 0.00 C ATOM 712 OG1 THR A 52 13.851 3.784 3.280 1.00 0.00 O ATOM 713 CG2 THR A 52 13.351 1.991 4.813 1.00 0.00 C ATOM 0 H THR A 52 10.251 3.799 2.282 1.00 0.00 H new ATOM 0 HA THR A 52 12.313 1.820 2.258 1.00 0.00 H new ATOM 0 HB THR A 52 12.236 3.802 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.797 3.626 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.050 2.420 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.541 1.494 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.872 1.266 4.188 1.00 0.00 H new ATOM 721 N PRO A 53 10.279 0.594 3.281 1.00 0.00 N ATOM 722 CA PRO A 53 9.202 -0.143 3.954 1.00 0.00 C ATOM 723 C PRO A 53 9.428 -0.277 5.459 1.00 0.00 C ATOM 724 O PRO A 53 10.568 -0.281 5.934 1.00 0.00 O ATOM 725 CB PRO A 53 9.228 -1.523 3.285 1.00 0.00 C ATOM 726 CG PRO A 53 10.543 -1.592 2.581 1.00 0.00 C ATOM 727 CD PRO A 53 10.861 -0.184 2.179 1.00 0.00 C ATOM 0 HA PRO A 53 8.247 0.373 3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.134 -2.320 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.400 -1.637 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.316 -1.997 3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.487 -2.245 1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.935 -0.020 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.416 0.075 1.218 1.00 0.00 H new ATOM 735 N SER A 54 8.334 -0.396 6.201 1.00 0.00 N ATOM 736 CA SER A 54 8.375 -0.433 7.656 1.00 0.00 C ATOM 737 C SER A 54 7.080 -1.038 8.182 1.00 0.00 C ATOM 738 O SER A 54 6.034 -0.900 7.548 1.00 0.00 O ATOM 739 CB SER A 54 8.551 0.981 8.228 1.00 0.00 C ATOM 740 OG SER A 54 9.757 1.580 7.781 1.00 0.00 O ATOM 0 H SER A 54 7.394 -0.469 5.811 1.00 0.00 H new ATOM 0 HA SER A 54 9.223 -1.043 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.705 1.601 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.548 0.936 9.317 1.00 0.00 H new ATOM 0 HG SER A 54 9.837 2.479 8.162 1.00 0.00 H new ATOM 746 N LYS A 55 7.150 -1.711 9.322 1.00 0.00 N ATOM 747 CA LYS A 55 5.963 -2.302 9.930 1.00 0.00 C ATOM 748 C LYS A 55 4.925 -1.226 10.238 1.00 0.00 C ATOM 749 O LYS A 55 5.164 -0.340 11.062 1.00 0.00 O ATOM 750 CB LYS A 55 6.332 -3.046 11.220 1.00 0.00 C ATOM 751 CG LYS A 55 5.123 -3.569 11.988 1.00 0.00 C ATOM 752 CD LYS A 55 5.520 -4.246 13.288 1.00 0.00 C ATOM 753 CE LYS A 55 6.302 -5.528 13.047 1.00 0.00 C ATOM 754 NZ LYS A 55 5.471 -6.578 12.399 1.00 0.00 N ATOM 0 H LYS A 55 8.013 -1.862 9.844 1.00 0.00 H new ATOM 0 HA LYS A 55 5.538 -3.011 9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.985 -3.883 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.901 -2.377 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.445 -2.743 12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.576 -4.276 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.122 -3.561 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.625 -4.471 13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.166 -5.312 12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.683 -5.903 13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.454 -7.427 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.501 -6.224 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.876 -6.818 11.472 1.00 0.00 H new ATOM 768 N GLY A 56 3.788 -1.297 9.564 1.00 0.00 N ATOM 769 CA GLY A 56 2.724 -0.344 9.806 1.00 0.00 C ATOM 770 C GLY A 56 2.684 0.743 8.755 1.00 0.00 C ATOM 771 O GLY A 56 1.813 1.613 8.781 1.00 0.00 O ATOM 0 H GLY A 56 3.582 -1.998 8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.767 -0.866 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.859 0.107 10.789 1.00 0.00 H new ATOM 775 N ALA A 57 3.635 0.695 7.831 1.00 0.00 N ATOM 776 CA ALA A 57 3.694 1.652 6.739 1.00 0.00 C ATOM 777 C ALA A 57 3.298 0.983 5.430 1.00 0.00 C ATOM 778 O ALA A 57 2.705 -0.095 5.436 1.00 0.00 O ATOM 779 CB ALA A 57 5.080 2.266 6.637 1.00 0.00 C ATOM 0 H ALA A 57 4.380 -0.002 7.818 1.00 0.00 H new ATOM 0 HA ALA A 57 2.986 2.455 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.102 2.979 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.320 2.779 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.814 1.480 6.456 1.00 0.00 H new ATOM 785 N ILE A 58 3.616 1.612 4.307 1.00 0.00 N ATOM 786 CA ILE A 58 3.187 1.089 3.020 1.00 0.00 C ATOM 787 C ILE A 58 4.372 0.882 2.078 1.00 0.00 C ATOM 788 O ILE A 58 5.526 1.068 2.459 1.00 0.00 O ATOM 789 CB ILE A 58 2.165 2.003 2.326 1.00 0.00 C ATOM 790 CG1 ILE A 58 1.467 2.929 3.326 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.130 1.146 1.610 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.434 2.245 4.195 1.00 0.00 C ATOM 0 H ILE A 58 4.162 2.473 4.261 1.00 0.00 H new ATOM 0 HA ILE A 58 2.713 0.131 3.234 1.00 0.00 H new ATOM 0 HB ILE A 58 2.697 2.628 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.221 3.384 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.985 3.738 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.403 1.790 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.626 0.522 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.619 0.511 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.011 2.973 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.344 1.814 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.911 1.454 4.774 1.00 0.00 H new ATOM 804 N LEU A 59 4.062 0.486 0.856 1.00 0.00 N ATOM 805 CA LEU A 59 5.047 0.220 -0.173 1.00 0.00 C ATOM 806 C LEU A 59 4.469 0.666 -1.516 1.00 0.00 C ATOM 807 O LEU A 59 3.395 0.210 -1.899 1.00 0.00 O ATOM 808 CB LEU A 59 5.336 -1.280 -0.204 1.00 0.00 C ATOM 809 CG LEU A 59 6.520 -1.705 -1.048 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.780 -1.765 -0.198 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.236 -3.039 -1.709 1.00 0.00 C ATOM 0 H LEU A 59 3.101 0.338 0.547 1.00 0.00 H new ATOM 0 HA LEU A 59 5.973 0.760 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.501 -1.620 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.448 -1.795 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 59 6.682 -0.967 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.623 -2.072 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.980 -0.781 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.641 -2.485 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.093 -3.335 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.054 -3.793 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.356 -2.949 -2.346 1.00 0.00 H new ATOM 823 N GLN A 60 5.153 1.558 -2.218 1.00 0.00 N ATOM 824 CA GLN A 60 4.587 2.159 -3.421 1.00 0.00 C ATOM 825 C GLN A 60 5.592 2.225 -4.565 1.00 0.00 C ATOM 826 O GLN A 60 6.748 2.594 -4.382 1.00 0.00 O ATOM 827 CB GLN A 60 4.066 3.561 -3.079 1.00 0.00 C ATOM 828 CG GLN A 60 3.264 4.239 -4.183 1.00 0.00 C ATOM 829 CD GLN A 60 4.115 4.972 -5.207 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.214 5.436 -4.909 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.597 5.097 -6.417 1.00 0.00 N ATOM 0 H GLN A 60 6.091 1.880 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 60 3.768 1.528 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.442 3.493 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.915 4.196 -2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.664 3.487 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.569 4.946 -3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.682 4.697 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.113 5.593 -7.144 1.00 0.00 H new ATOM 840 N SER A 61 5.123 1.861 -5.746 1.00 0.00 N ATOM 841 CA SER A 61 5.906 1.958 -6.965 1.00 0.00 C ATOM 842 C SER A 61 5.117 2.729 -8.015 1.00 0.00 C ATOM 843 O SER A 61 3.902 2.566 -8.125 1.00 0.00 O ATOM 844 CB SER A 61 6.238 0.559 -7.488 1.00 0.00 C ATOM 845 OG SER A 61 6.855 0.608 -8.762 1.00 0.00 O ATOM 0 H SER A 61 4.184 1.488 -5.887 1.00 0.00 H new ATOM 0 HA SER A 61 6.837 2.484 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.899 0.054 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.325 -0.033 -7.549 1.00 0.00 H new ATOM 0 HG SER A 61 7.811 0.794 -8.655 1.00 0.00 H new ATOM 851 N SER A 62 5.799 3.571 -8.770 1.00 0.00 N ATOM 852 CA SER A 62 5.167 4.299 -9.857 1.00 0.00 C ATOM 853 C SER A 62 5.668 3.755 -11.186 1.00 0.00 C ATOM 854 O SER A 62 5.377 4.294 -12.251 1.00 0.00 O ATOM 855 CB SER A 62 5.477 5.790 -9.739 1.00 0.00 C ATOM 856 OG SER A 62 5.286 6.236 -8.404 1.00 0.00 O ATOM 0 H SER A 62 6.793 3.768 -8.651 1.00 0.00 H new ATOM 0 HA SER A 62 4.086 4.168 -9.803 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.505 5.979 -10.048 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.833 6.355 -10.413 1.00 0.00 H new ATOM 0 HG SER A 62 4.592 6.927 -8.386 1.00 0.00 H new ATOM 862 N GLU A 63 6.400 2.649 -11.105 1.00 0.00 N ATOM 863 CA GLU A 63 7.025 2.049 -12.274 1.00 0.00 C ATOM 864 C GLU A 63 6.075 1.061 -12.944 1.00 0.00 C ATOM 865 O GLU A 63 6.475 0.274 -13.805 1.00 0.00 O ATOM 866 CB GLU A 63 8.331 1.339 -11.883 1.00 0.00 C ATOM 867 CG GLU A 63 9.382 2.242 -11.240 1.00 0.00 C ATOM 868 CD GLU A 63 9.062 2.622 -9.803 1.00 0.00 C ATOM 869 OE1 GLU A 63 9.158 1.751 -8.916 1.00 0.00 O ATOM 870 OE2 GLU A 63 8.722 3.798 -9.554 1.00 0.00 O ATOM 0 H GLU A 63 6.575 2.148 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 63 7.256 2.846 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.095 0.530 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.761 0.882 -12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.348 1.737 -11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.480 3.151 -11.834 1.00 0.00 H new ATOM 877 N GLY A 64 4.812 1.126 -12.561 1.00 0.00 N ATOM 878 CA GLY A 64 3.813 0.231 -13.108 1.00 0.00 C ATOM 879 C GLY A 64 2.692 0.990 -13.786 1.00 0.00 C ATOM 880 O GLY A 64 2.616 2.211 -13.655 1.00 0.00 O ATOM 0 H GLY A 64 4.456 1.790 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.282 -0.443 -13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.403 -0.388 -12.310 1.00 0.00 H new ATOM 884 N PRO A 65 1.783 0.287 -14.482 1.00 0.00 N ATOM 885 CA PRO A 65 0.701 0.921 -15.250 1.00 0.00 C ATOM 886 C PRO A 65 -0.232 1.724 -14.354 1.00 0.00 C ATOM 887 O PRO A 65 -0.627 2.841 -14.685 1.00 0.00 O ATOM 888 CB PRO A 65 -0.042 -0.262 -15.884 1.00 0.00 C ATOM 889 CG PRO A 65 0.340 -1.450 -15.068 1.00 0.00 C ATOM 890 CD PRO A 65 1.726 -1.180 -14.554 1.00 0.00 C ATOM 0 HA PRO A 65 1.081 1.631 -15.984 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.120 -0.104 -15.867 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.245 -0.393 -16.927 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.359 -1.597 -14.244 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.319 -2.358 -15.670 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.889 -1.637 -13.578 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.488 -1.579 -15.224 1.00 0.00 H new ATOM 898 N PHE A 66 -0.578 1.143 -13.216 1.00 0.00 N ATOM 899 CA PHE A 66 -1.376 1.828 -12.214 1.00 0.00 C ATOM 900 C PHE A 66 -0.609 1.884 -10.905 1.00 0.00 C ATOM 901 O PHE A 66 -1.186 2.079 -9.838 1.00 0.00 O ATOM 902 CB PHE A 66 -2.721 1.126 -12.009 1.00 0.00 C ATOM 903 CG PHE A 66 -3.668 1.289 -13.162 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.479 2.409 -13.249 1.00 0.00 C ATOM 905 CD2 PHE A 66 -3.750 0.327 -14.155 1.00 0.00 C ATOM 906 CE1 PHE A 66 -5.354 2.567 -14.306 1.00 0.00 C ATOM 907 CE2 PHE A 66 -4.624 0.480 -15.214 1.00 0.00 C ATOM 908 CZ PHE A 66 -5.427 1.601 -15.290 1.00 0.00 C ATOM 0 H PHE A 66 -0.315 0.190 -12.963 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.576 2.842 -12.562 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.545 0.063 -11.842 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.191 1.516 -11.106 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.426 3.167 -12.482 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.124 -0.552 -14.101 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.980 3.445 -14.363 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.679 -0.277 -15.982 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.111 1.722 -16.117 1.00 0.00 H new ATOM 918 N GLY A 67 0.705 1.723 -11.007 1.00 0.00 N ATOM 919 CA GLY A 67 1.560 1.784 -9.841 1.00 0.00 C ATOM 920 C GLY A 67 1.619 0.470 -9.092 1.00 0.00 C ATOM 921 O GLY A 67 1.396 -0.593 -9.670 1.00 0.00 O ATOM 0 H GLY A 67 1.195 1.550 -11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.567 2.068 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.199 2.564 -9.171 1.00 0.00 H new ATOM 925 N HIS A 68 1.933 0.547 -7.806 1.00 0.00 N ATOM 926 CA HIS A 68 2.014 -0.633 -6.956 1.00 0.00 C ATOM 927 C HIS A 68 2.003 -0.222 -5.495 1.00 0.00 C ATOM 928 O HIS A 68 3.019 0.236 -4.992 1.00 0.00 O ATOM 929 CB HIS A 68 3.314 -1.403 -7.232 1.00 0.00 C ATOM 930 CG HIS A 68 3.359 -2.772 -6.611 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.466 -3.928 -7.352 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.307 -3.167 -5.314 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.474 -4.970 -6.539 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.378 -4.538 -5.297 1.00 0.00 N ATOM 0 H HIS A 68 2.138 1.423 -7.325 1.00 0.00 H new ATOM 0 HA HIS A 68 1.155 -1.268 -7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.445 -1.500 -8.310 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.156 -0.819 -6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.225 -2.521 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.547 -6.004 -6.842 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.360 -5.125 -4.463 1.00 0.00 H new ATOM 943 N VAL A 69 0.876 -0.359 -4.814 1.00 0.00 N ATOM 944 CA VAL A 69 0.863 -0.120 -3.388 1.00 0.00 C ATOM 945 C VAL A 69 0.526 -1.382 -2.613 1.00 0.00 C ATOM 946 O VAL A 69 -0.415 -2.106 -2.939 1.00 0.00 O ATOM 947 CB VAL A 69 -0.099 1.013 -3.012 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.339 2.281 -3.709 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.536 0.667 -3.371 1.00 0.00 C ATOM 0 H VAL A 69 -0.021 -0.629 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 69 1.871 0.189 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.067 1.159 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.340 3.093 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.351 2.538 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.322 2.127 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.190 1.493 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.611 0.493 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.838 -0.233 -2.836 1.00 0.00 H new ATOM 959 N ALA A 70 1.339 -1.644 -1.610 1.00 0.00 N ATOM 960 CA ALA A 70 1.169 -2.790 -0.744 1.00 0.00 C ATOM 961 C ALA A 70 1.414 -2.377 0.691 1.00 0.00 C ATOM 962 O ALA A 70 2.412 -1.728 0.987 1.00 0.00 O ATOM 963 CB ALA A 70 2.131 -3.892 -1.139 1.00 0.00 C ATOM 0 H ALA A 70 2.142 -1.062 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 70 0.151 -3.166 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.993 -4.749 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.938 -4.192 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.155 -3.529 -1.053 1.00 0.00 H new ATOM 969 N TYR A 71 0.508 -2.731 1.577 1.00 0.00 N ATOM 970 CA TYR A 71 0.662 -2.376 2.972 1.00 0.00 C ATOM 971 C TYR A 71 1.732 -3.250 3.622 1.00 0.00 C ATOM 972 O TYR A 71 1.710 -4.471 3.493 1.00 0.00 O ATOM 973 CB TYR A 71 -0.675 -2.503 3.698 1.00 0.00 C ATOM 974 CG TYR A 71 -0.552 -2.372 5.194 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.461 -1.125 5.794 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.514 -3.499 6.000 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.338 -1.003 7.161 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.390 -3.386 7.372 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.303 -2.133 7.946 1.00 0.00 C ATOM 980 OH TYR A 71 -0.173 -2.010 9.311 1.00 0.00 O ATOM 0 H TYR A 71 -0.336 -3.260 1.359 1.00 0.00 H new ATOM 0 HA TYR A 71 0.986 -1.338 3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.357 -1.737 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.120 -3.469 3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.487 -0.236 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.582 -4.478 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.269 -0.025 7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.361 -4.271 7.990 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.357 -1.084 9.575 1.00 0.00 H new ATOM 990 N VAL A 72 2.663 -2.617 4.316 1.00 0.00 N ATOM 991 CA VAL A 72 3.791 -3.323 4.905 1.00 0.00 C ATOM 992 C VAL A 72 3.480 -3.736 6.335 1.00 0.00 C ATOM 993 O VAL A 72 3.265 -2.889 7.206 1.00 0.00 O ATOM 994 CB VAL A 72 5.056 -2.447 4.906 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.266 -3.240 5.376 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.290 -1.852 3.528 1.00 0.00 C ATOM 0 H VAL A 72 2.660 -1.611 4.486 1.00 0.00 H new ATOM 0 HA VAL A 72 3.970 -4.210 4.297 1.00 0.00 H new ATOM 0 HB VAL A 72 4.907 -1.627 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.147 -2.598 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.092 -3.604 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.427 -4.087 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.188 -1.235 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.415 -2.655 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.434 -1.238 3.247 1.00 0.00 H new ATOM 1006 N GLU A 73 3.467 -5.036 6.580 1.00 0.00 N ATOM 1007 CA GLU A 73 3.164 -5.542 7.905 1.00 0.00 C ATOM 1008 C GLU A 73 4.438 -5.777 8.703 1.00 0.00 C ATOM 1009 O GLU A 73 4.447 -5.613 9.922 1.00 0.00 O ATOM 1010 CB GLU A 73 2.342 -6.830 7.823 1.00 0.00 C ATOM 1011 CG GLU A 73 1.012 -6.644 7.114 1.00 0.00 C ATOM 1012 CD GLU A 73 0.050 -7.785 7.364 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.061 -8.768 6.597 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.737 -7.699 8.332 1.00 0.00 O ATOM 0 H GLU A 73 3.662 -5.755 5.883 1.00 0.00 H new ATOM 0 HA GLU A 73 2.571 -4.787 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.922 -7.591 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.161 -7.203 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.556 -5.711 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.187 -6.550 6.042 1.00 0.00 H new ATOM 1021 N SER A 74 5.522 -6.125 8.014 1.00 0.00 N ATOM 1022 CA SER A 74 6.775 -6.464 8.682 1.00 0.00 C ATOM 1023 C SER A 74 7.959 -6.371 7.728 1.00 0.00 C ATOM 1024 O SER A 74 7.862 -6.761 6.567 1.00 0.00 O ATOM 1025 CB SER A 74 6.724 -7.892 9.242 1.00 0.00 C ATOM 1026 OG SER A 74 5.651 -8.067 10.148 1.00 0.00 O ATOM 0 H SER A 74 5.558 -6.179 6.996 1.00 0.00 H new ATOM 0 HA SER A 74 6.904 -5.746 9.492 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.624 -8.601 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.664 -8.118 9.745 1.00 0.00 H new ATOM 0 HG SER A 74 5.651 -8.989 10.481 1.00 0.00 H new ATOM 1032 N VAL A 75 9.064 -5.834 8.216 1.00 0.00 N ATOM 1033 CA VAL A 75 10.339 -5.980 7.537 1.00 0.00 C ATOM 1034 C VAL A 75 11.170 -6.990 8.309 1.00 0.00 C ATOM 1035 O VAL A 75 11.504 -6.773 9.476 1.00 0.00 O ATOM 1036 CB VAL A 75 11.106 -4.646 7.409 1.00 0.00 C ATOM 1037 CG1 VAL A 75 12.418 -4.852 6.660 1.00 0.00 C ATOM 1038 CG2 VAL A 75 10.249 -3.608 6.704 1.00 0.00 C ATOM 0 H VAL A 75 9.104 -5.293 9.080 1.00 0.00 H new ATOM 0 HA VAL A 75 10.150 -6.321 6.519 1.00 0.00 H new ATOM 0 HB VAL A 75 11.336 -4.283 8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.944 -3.901 6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.038 -5.565 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.210 -5.237 5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.804 -2.673 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.991 -3.966 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.337 -3.439 7.277 1.00 0.00 H new ATOM 1048 N ASN A 76 11.466 -8.103 7.667 1.00 0.00 N ATOM 1049 CA ASN A 76 12.095 -9.232 8.331 1.00 0.00 C ATOM 1050 C ASN A 76 13.528 -8.911 8.734 1.00 0.00 C ATOM 1051 O ASN A 76 14.159 -8.020 8.167 1.00 0.00 O ATOM 1052 CB ASN A 76 12.073 -10.463 7.425 1.00 0.00 C ATOM 1053 CG ASN A 76 10.668 -10.884 7.047 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.721 -10.693 7.809 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.523 -11.449 5.862 1.00 0.00 N ATOM 0 H ASN A 76 11.279 -8.252 6.675 1.00 0.00 H new ATOM 0 HA ASN A 76 11.526 -9.442 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.641 -10.253 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.573 -11.290 7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.599 -11.745 5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.335 -11.589 5.261 1.00 0.00 H new ATOM 1062 N SER A 77 14.038 -9.656 9.705 1.00 0.00 N ATOM 1063 CA SER A 77 15.382 -9.445 10.228 1.00 0.00 C ATOM 1064 C SER A 77 16.444 -9.651 9.143 1.00 0.00 C ATOM 1065 O SER A 77 17.499 -9.016 9.163 1.00 0.00 O ATOM 1066 CB SER A 77 15.625 -10.402 11.400 1.00 0.00 C ATOM 1067 OG SER A 77 16.894 -10.191 11.999 1.00 0.00 O ATOM 0 H SER A 77 13.534 -10.422 10.152 1.00 0.00 H new ATOM 0 HA SER A 77 15.462 -8.414 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.843 -10.267 12.148 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.556 -11.432 11.049 1.00 0.00 H new ATOM 0 HG SER A 77 17.013 -10.818 12.743 1.00 0.00 H new ATOM 1073 N ASP A 78 16.158 -10.528 8.190 1.00 0.00 N ATOM 1074 CA ASP A 78 17.111 -10.835 7.125 1.00 0.00 C ATOM 1075 C ASP A 78 17.162 -9.725 6.076 1.00 0.00 C ATOM 1076 O ASP A 78 18.129 -9.619 5.326 1.00 0.00 O ATOM 1077 CB ASP A 78 16.758 -12.163 6.452 1.00 0.00 C ATOM 1078 CG ASP A 78 15.416 -12.128 5.753 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.388 -12.328 6.426 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.379 -11.904 4.526 1.00 0.00 O ATOM 0 H ASP A 78 15.277 -11.039 8.130 1.00 0.00 H new ATOM 0 HA ASP A 78 18.095 -10.914 7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.533 -12.416 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.752 -12.954 7.201 1.00 0.00 H new ATOM 1085 N GLY A 79 16.125 -8.899 6.027 1.00 0.00 N ATOM 1086 CA GLY A 79 16.091 -7.809 5.066 1.00 0.00 C ATOM 1087 C GLY A 79 14.879 -7.870 4.160 1.00 0.00 C ATOM 1088 O GLY A 79 14.481 -6.860 3.580 1.00 0.00 O ATOM 0 H GLY A 79 15.307 -8.962 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.094 -6.859 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.996 -7.836 4.459 1.00 0.00 H new ATOM 1092 N SER A 80 14.295 -9.054 4.026 1.00 0.00 N ATOM 1093 CA SER A 80 13.109 -9.218 3.199 1.00 0.00 C ATOM 1094 C SER A 80 11.900 -8.567 3.863 1.00 0.00 C ATOM 1095 O SER A 80 11.785 -8.551 5.083 1.00 0.00 O ATOM 1096 CB SER A 80 12.845 -10.701 2.926 1.00 0.00 C ATOM 1097 OG SER A 80 12.782 -11.451 4.130 1.00 0.00 O ATOM 0 H SER A 80 14.621 -9.909 4.476 1.00 0.00 H new ATOM 0 HA SER A 80 13.283 -8.722 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.908 -10.810 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.634 -11.100 2.289 1.00 0.00 H new ATOM 0 HG SER A 80 13.611 -11.961 4.241 1.00 0.00 H new ATOM 1103 N VAL A 81 11.017 -8.006 3.060 1.00 0.00 N ATOM 1104 CA VAL A 81 9.850 -7.316 3.579 1.00 0.00 C ATOM 1105 C VAL A 81 8.577 -8.094 3.281 1.00 0.00 C ATOM 1106 O VAL A 81 8.337 -8.499 2.143 1.00 0.00 O ATOM 1107 CB VAL A 81 9.738 -5.900 2.980 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.534 -5.165 3.545 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.014 -5.117 3.239 1.00 0.00 C ATOM 0 H VAL A 81 11.085 -8.014 2.042 1.00 0.00 H new ATOM 0 HA VAL A 81 9.971 -7.238 4.659 1.00 0.00 H new ATOM 0 HB VAL A 81 9.599 -5.993 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.477 -4.169 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.625 -5.718 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.634 -5.080 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.922 -4.119 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.180 -5.037 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.857 -5.633 2.779 1.00 0.00 H new ATOM 1119 N THR A 82 7.769 -8.302 4.305 1.00 0.00 N ATOM 1120 CA THR A 82 6.496 -8.976 4.153 1.00 0.00 C ATOM 1121 C THR A 82 5.375 -7.952 3.998 1.00 0.00 C ATOM 1122 O THR A 82 5.063 -7.197 4.926 1.00 0.00 O ATOM 1123 CB THR A 82 6.214 -9.897 5.356 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.246 -10.888 5.459 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.860 -10.582 5.223 1.00 0.00 C ATOM 0 H THR A 82 7.977 -8.010 5.260 1.00 0.00 H new ATOM 0 HA THR A 82 6.540 -9.593 3.255 1.00 0.00 H new ATOM 0 HB THR A 82 6.199 -9.283 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.065 -11.471 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.691 -11.225 6.087 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.074 -9.828 5.172 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.845 -11.184 4.315 1.00 0.00 H new ATOM 1133 N ILE A 83 4.791 -7.915 2.809 1.00 0.00 N ATOM 1134 CA ILE A 83 3.741 -6.958 2.503 1.00 0.00 C ATOM 1135 C ILE A 83 2.398 -7.652 2.321 1.00 0.00 C ATOM 1136 O ILE A 83 2.338 -8.842 2.000 1.00 0.00 O ATOM 1137 CB ILE A 83 4.068 -6.150 1.229 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.295 -7.094 0.041 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.288 -5.268 1.460 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.559 -6.385 -1.266 1.00 0.00 C ATOM 0 H ILE A 83 5.029 -8.540 2.039 1.00 0.00 H new ATOM 0 HA ILE A 83 3.681 -6.276 3.351 1.00 0.00 H new ATOM 0 HB ILE A 83 3.220 -5.506 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.139 -7.747 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.419 -7.733 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.506 -4.704 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.087 -4.576 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.145 -5.892 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.709 -7.121 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.707 -5.753 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.452 -5.768 -1.171 1.00 0.00 H new ATOM 1152 N SER A 84 1.328 -6.901 2.529 1.00 0.00 N ATOM 1153 CA SER A 84 -0.014 -7.418 2.371 1.00 0.00 C ATOM 1154 C SER A 84 -0.802 -6.526 1.410 1.00 0.00 C ATOM 1155 O SER A 84 -1.315 -5.469 1.790 1.00 0.00 O ATOM 1156 CB SER A 84 -0.709 -7.503 3.734 1.00 0.00 C ATOM 1157 OG SER A 84 -1.880 -8.297 3.670 1.00 0.00 O ATOM 0 H SER A 84 1.369 -5.921 2.811 1.00 0.00 H new ATOM 0 HA SER A 84 0.033 -8.423 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.022 -7.924 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.966 -6.500 4.076 1.00 0.00 H new ATOM 0 HG SER A 84 -2.606 -7.849 4.153 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.842 -6.940 0.156 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.574 -6.223 -0.884 1.00 0.00 C ATOM 1165 C GLU A 85 -2.690 -7.099 -1.453 1.00 0.00 C ATOM 1166 O GLU A 85 -2.441 -8.050 -2.186 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.618 -5.780 -2.004 1.00 0.00 C ATOM 1168 CG GLU A 85 0.274 -6.901 -2.526 1.00 0.00 C ATOM 1169 CD GLU A 85 1.148 -6.485 -3.696 1.00 0.00 C ATOM 1170 OE1 GLU A 85 2.261 -5.969 -3.464 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.738 -6.694 -4.855 1.00 0.00 O ATOM 0 H GLU A 85 -0.370 -7.782 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.024 -5.335 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.203 -5.378 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.010 -4.970 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.911 -7.255 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.351 -7.740 -2.830 1.00 0.00 H new ATOM 1178 N MET A 86 -3.926 -6.797 -1.101 1.00 0.00 N ATOM 1179 CA MET A 86 -5.047 -7.573 -1.597 1.00 0.00 C ATOM 1180 C MET A 86 -5.345 -7.228 -3.047 1.00 0.00 C ATOM 1181 O MET A 86 -5.449 -6.055 -3.409 1.00 0.00 O ATOM 1182 CB MET A 86 -6.294 -7.351 -0.747 1.00 0.00 C ATOM 1183 CG MET A 86 -7.493 -8.152 -1.223 1.00 0.00 C ATOM 1184 SD MET A 86 -8.926 -7.995 -0.141 1.00 0.00 S ATOM 1185 CE MET A 86 -8.342 -8.852 1.320 1.00 0.00 C ATOM 0 H MET A 86 -4.178 -6.028 -0.480 1.00 0.00 H new ATOM 0 HA MET A 86 -4.768 -8.625 -1.533 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.074 -7.618 0.286 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.547 -6.291 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.766 -7.824 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.214 -9.203 -1.296 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.882 -9.792 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.276 -9.055 1.221 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.512 -8.230 2.199 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.467 -8.266 -3.859 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.793 -8.139 -5.270 1.00 0.00 C ATOM 1197 C ASN A 87 -4.633 -7.533 -6.043 1.00 0.00 C ATOM 1198 O ASN A 87 -3.747 -8.262 -6.484 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.086 -7.332 -5.485 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.356 -7.039 -6.951 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -6.927 -7.767 -7.828 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.076 -5.968 -7.223 1.00 0.00 N ATOM 0 H ASN A 87 -5.341 -9.231 -3.553 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.970 -9.142 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.928 -7.884 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.018 -6.392 -4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.288 -5.729 -8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.420 -5.379 -6.465 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.626 -6.202 -6.155 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.671 -5.470 -6.994 1.00 0.00 C ATOM 1211 C TYR A 88 -3.711 -5.907 -8.468 1.00 0.00 C ATOM 1212 O TYR A 88 -4.095 -5.134 -9.342 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.243 -5.605 -6.449 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.199 -4.989 -7.354 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.200 -3.625 -7.620 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.220 -5.774 -7.953 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.257 -3.062 -8.455 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.727 -5.217 -8.789 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.703 -3.863 -9.039 1.00 0.00 C ATOM 1220 OH TYR A 88 1.650 -3.304 -9.868 1.00 0.00 O ATOM 0 H TYR A 88 -5.286 -5.598 -5.664 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.975 -4.424 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.189 -5.132 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.014 -6.661 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.951 -2.996 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.200 -6.837 -7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.270 -2.000 -8.651 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.483 -5.840 -9.245 1.00 0.00 H new ATOM 0 HH TYR A 88 1.654 -2.331 -9.751 1.00 0.00 H new ATOM 1230 N SER A 89 -3.328 -7.147 -8.722 1.00 0.00 N ATOM 1231 CA SER A 89 -3.066 -7.631 -10.067 1.00 0.00 C ATOM 1232 C SER A 89 -4.319 -8.210 -10.740 1.00 0.00 C ATOM 1233 O SER A 89 -4.230 -8.807 -11.815 1.00 0.00 O ATOM 1234 CB SER A 89 -1.958 -8.687 -9.996 1.00 0.00 C ATOM 1235 OG SER A 89 -1.386 -8.938 -11.266 1.00 0.00 O ATOM 0 H SER A 89 -3.189 -7.850 -7.996 1.00 0.00 H new ATOM 0 HA SER A 89 -2.752 -6.787 -10.681 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.182 -8.353 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.365 -9.614 -9.592 1.00 0.00 H new ATOM 0 HG SER A 89 -2.096 -8.994 -11.939 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.486 -8.036 -10.130 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.707 -8.502 -10.763 1.00 0.00 C ATOM 1243 C GLY A 90 -7.256 -9.783 -10.162 1.00 0.00 C ATOM 1244 O GLY A 90 -8.145 -10.405 -10.743 1.00 0.00 O ATOM 0 H GLY A 90 -5.609 -7.588 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.465 -7.722 -10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.517 -8.661 -11.824 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.727 -10.193 -9.017 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.280 -11.333 -8.320 1.00 0.00 C ATOM 1250 C GLY A 91 -8.174 -10.899 -7.176 1.00 0.00 C ATOM 1251 O GLY A 91 -7.680 -10.415 -6.159 1.00 0.00 O ATOM 0 H GLY A 91 -5.926 -9.756 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.850 -11.947 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.471 -11.955 -7.936 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.501 -11.038 -7.321 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.464 -10.609 -6.300 1.00 0.00 C ATOM 1257 C PRO A 92 -10.172 -11.210 -4.929 1.00 0.00 C ATOM 1258 O PRO A 92 -10.282 -12.420 -4.731 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.806 -11.110 -6.834 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.605 -11.220 -8.304 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.171 -11.625 -8.492 1.00 0.00 C ATOM 0 HA PRO A 92 -10.432 -9.531 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.073 -12.072 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.612 -10.417 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.280 -11.959 -8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.811 -10.271 -8.799 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.059 -12.709 -8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.762 -11.239 -9.426 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.772 -10.340 -4.002 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.463 -10.718 -2.622 1.00 0.00 C ATOM 1271 C PHE A 93 -8.219 -11.593 -2.528 1.00 0.00 C ATOM 1272 O PHE A 93 -7.957 -12.185 -1.481 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.640 -11.416 -1.939 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.815 -10.512 -1.674 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.777 -10.298 -2.648 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -11.954 -9.876 -0.450 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.855 -9.468 -2.407 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.030 -9.044 -0.202 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.982 -8.840 -1.182 1.00 0.00 C ATOM 0 H PHE A 93 -9.652 -9.344 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.264 -9.784 -2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.968 -12.248 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.300 -11.840 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.683 -10.786 -3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.212 -10.032 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.598 -9.310 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.126 -8.555 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.824 -8.191 -0.992 1.00 0.00 H new ATOM 1289 N SER A 94 -7.450 -11.668 -3.605 1.00 0.00 N ATOM 1290 CA SER A 94 -6.162 -12.333 -3.559 1.00 0.00 C ATOM 1291 C SER A 94 -5.204 -11.504 -2.730 1.00 0.00 C ATOM 1292 O SER A 94 -4.482 -10.665 -3.264 1.00 0.00 O ATOM 1293 CB SER A 94 -5.589 -12.527 -4.963 1.00 0.00 C ATOM 1294 OG SER A 94 -6.403 -13.397 -5.732 1.00 0.00 O ATOM 0 H SER A 94 -7.696 -11.278 -4.515 1.00 0.00 H new ATOM 0 HA SER A 94 -6.296 -13.317 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.510 -11.562 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.580 -12.934 -4.894 1.00 0.00 H new ATOM 0 HG SER A 94 -5.939 -13.630 -6.563 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.242 -11.690 -1.421 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.368 -10.948 -0.544 1.00 0.00 C ATOM 1302 C VAL A 95 -2.923 -11.388 -0.781 1.00 0.00 C ATOM 1303 O VAL A 95 -2.447 -12.379 -0.224 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.777 -11.074 0.947 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.914 -12.525 1.376 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.789 -10.338 1.840 1.00 0.00 C ATOM 0 H VAL A 95 -5.866 -12.345 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.459 -9.888 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.757 -10.609 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.202 -12.568 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.678 -13.013 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.961 -13.036 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.095 -10.439 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.794 -10.764 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.769 -9.283 1.568 1.00 0.00 H new ATOM 1316 N SER A 96 -2.257 -10.669 -1.668 1.00 0.00 N ATOM 1317 CA SER A 96 -0.926 -11.020 -2.104 1.00 0.00 C ATOM 1318 C SER A 96 0.061 -10.881 -0.961 1.00 0.00 C ATOM 1319 O SER A 96 0.420 -9.776 -0.547 1.00 0.00 O ATOM 1320 CB SER A 96 -0.513 -10.150 -3.296 1.00 0.00 C ATOM 1321 OG SER A 96 0.791 -10.468 -3.753 1.00 0.00 O ATOM 0 H SER A 96 -2.629 -9.825 -2.104 1.00 0.00 H new ATOM 0 HA SER A 96 -0.924 -12.062 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.226 -10.285 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.552 -9.099 -3.010 1.00 0.00 H new ATOM 0 HG SER A 96 1.020 -9.895 -4.514 1.00 0.00 H new ATOM 1327 N SER A 97 0.456 -12.018 -0.429 1.00 0.00 N ATOM 1328 CA SER A 97 1.478 -12.061 0.597 1.00 0.00 C ATOM 1329 C SER A 97 2.840 -12.150 -0.074 1.00 0.00 C ATOM 1330 O SER A 97 3.409 -13.229 -0.227 1.00 0.00 O ATOM 1331 CB SER A 97 1.245 -13.250 1.532 1.00 0.00 C ATOM 1332 OG SER A 97 -0.079 -13.236 2.046 1.00 0.00 O ATOM 0 H SER A 97 0.083 -12.930 -0.691 1.00 0.00 H new ATOM 0 HA SER A 97 1.435 -11.155 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.421 -14.181 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.960 -13.217 2.354 1.00 0.00 H new ATOM 0 HG SER A 97 -0.208 -14.005 2.640 1.00 0.00 H new ATOM 1338 N ARG A 98 3.333 -11.009 -0.520 1.00 0.00 N ATOM 1339 CA ARG A 98 4.536 -10.972 -1.328 1.00 0.00 C ATOM 1340 C ARG A 98 5.748 -10.589 -0.484 1.00 0.00 C ATOM 1341 O ARG A 98 5.623 -9.888 0.522 1.00 0.00 O ATOM 1342 CB ARG A 98 4.348 -9.989 -2.487 1.00 0.00 C ATOM 1343 CG ARG A 98 5.418 -10.103 -3.555 1.00 0.00 C ATOM 1344 CD ARG A 98 5.187 -9.119 -4.689 1.00 0.00 C ATOM 1345 NE ARG A 98 6.271 -9.153 -5.672 1.00 0.00 N ATOM 1346 CZ ARG A 98 6.123 -8.849 -6.963 1.00 0.00 C ATOM 1347 NH1 ARG A 98 4.934 -8.496 -7.437 1.00 0.00 N ATOM 1348 NH2 ARG A 98 7.165 -8.901 -7.784 1.00 0.00 N ATOM 0 H ARG A 98 2.918 -10.096 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 98 4.718 -11.967 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.372 -10.158 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.345 -8.972 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.397 -9.923 -3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.430 -11.118 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.243 -9.349 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.097 -8.112 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 98 7.199 -9.427 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.128 -8.456 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.827 -8.265 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.081 -9.174 -7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.049 -8.668 -8.770 1.00 0.00 H new ATOM 1362 N THR A 99 6.913 -11.070 -0.888 1.00 0.00 N ATOM 1363 CA THR A 99 8.143 -10.771 -0.192 1.00 0.00 C ATOM 1364 C THR A 99 8.977 -9.783 -0.997 1.00 0.00 C ATOM 1365 O THR A 99 9.424 -10.090 -2.102 1.00 0.00 O ATOM 1366 CB THR A 99 8.962 -12.052 0.046 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.116 -13.076 0.584 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.110 -11.792 1.005 1.00 0.00 C ATOM 0 H THR A 99 7.027 -11.674 -1.702 1.00 0.00 H new ATOM 0 HA THR A 99 7.886 -10.331 0.772 1.00 0.00 H new ATOM 0 HB THR A 99 9.373 -12.376 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.641 -13.890 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.673 -12.713 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.767 -11.029 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.715 -11.447 1.960 1.00 0.00 H new ATOM 1376 N ILE A 100 9.154 -8.594 -0.453 1.00 0.00 N ATOM 1377 CA ILE A 100 9.971 -7.578 -1.088 1.00 0.00 C ATOM 1378 C ILE A 100 11.406 -7.701 -0.615 1.00 0.00 C ATOM 1379 O ILE A 100 11.694 -7.492 0.561 1.00 0.00 O ATOM 1380 CB ILE A 100 9.463 -6.155 -0.768 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.047 -5.951 -1.296 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.396 -5.103 -1.348 1.00 0.00 C ATOM 1383 CD1 ILE A 100 7.910 -6.172 -2.789 1.00 0.00 C ATOM 0 H ILE A 100 8.740 -8.307 0.434 1.00 0.00 H new ATOM 0 HA ILE A 100 9.910 -7.735 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 100 9.447 -6.044 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.374 -6.632 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.723 -4.938 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.017 -4.109 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.391 -5.224 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.449 -5.221 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.875 -6.008 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.556 -5.473 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.201 -7.194 -3.034 1.00 0.00 H new ATOM 1395 N SER A 101 12.298 -8.065 -1.508 1.00 0.00 N ATOM 1396 CA SER A 101 13.705 -8.088 -1.170 1.00 0.00 C ATOM 1397 C SER A 101 14.215 -6.653 -1.094 1.00 0.00 C ATOM 1398 O SER A 101 13.619 -5.747 -1.684 1.00 0.00 O ATOM 1399 CB SER A 101 14.498 -8.896 -2.200 1.00 0.00 C ATOM 1400 OG SER A 101 15.841 -9.082 -1.784 1.00 0.00 O ATOM 0 H SER A 101 12.079 -8.346 -2.464 1.00 0.00 H new ATOM 0 HA SER A 101 13.840 -8.572 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.023 -9.866 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.480 -8.382 -3.161 1.00 0.00 H new ATOM 0 HG SER A 101 16.324 -9.602 -2.460 1.00 0.00 H new ATOM 1406 N ALA A 102 15.293 -6.441 -0.348 1.00 0.00 N ATOM 1407 CA ALA A 102 15.895 -5.117 -0.207 1.00 0.00 C ATOM 1408 C ALA A 102 16.150 -4.468 -1.571 1.00 0.00 C ATOM 1409 O ALA A 102 16.046 -3.244 -1.721 1.00 0.00 O ATOM 1410 CB ALA A 102 17.187 -5.219 0.591 1.00 0.00 C ATOM 0 H ALA A 102 15.773 -7.175 0.173 1.00 0.00 H new ATOM 0 HA ALA A 102 15.194 -4.479 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.631 -4.229 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.973 -5.624 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.884 -5.878 0.073 1.00 0.00 H new ATOM 1416 N SER A 103 16.443 -5.301 -2.568 1.00 0.00 N ATOM 1417 CA SER A 103 16.705 -4.835 -3.922 1.00 0.00 C ATOM 1418 C SER A 103 15.492 -4.108 -4.513 1.00 0.00 C ATOM 1419 O SER A 103 15.647 -3.151 -5.271 1.00 0.00 O ATOM 1420 CB SER A 103 17.113 -6.021 -4.798 1.00 0.00 C ATOM 1421 OG SER A 103 16.392 -7.190 -4.437 1.00 0.00 O ATOM 0 H SER A 103 16.505 -6.313 -2.458 1.00 0.00 H new ATOM 0 HA SER A 103 17.522 -4.115 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.929 -5.784 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.183 -6.203 -4.696 1.00 0.00 H new ATOM 0 HG SER A 103 15.731 -7.394 -5.131 1.00 0.00 H new ATOM 1427 N GLU A 104 14.288 -4.549 -4.157 1.00 0.00 N ATOM 1428 CA GLU A 104 13.078 -3.876 -4.611 1.00 0.00 C ATOM 1429 C GLU A 104 12.693 -2.778 -3.632 1.00 0.00 C ATOM 1430 O GLU A 104 12.188 -1.730 -4.026 1.00 0.00 O ATOM 1431 CB GLU A 104 11.898 -4.845 -4.763 1.00 0.00 C ATOM 1432 CG GLU A 104 12.111 -5.957 -5.775 1.00 0.00 C ATOM 1433 CD GLU A 104 12.967 -7.081 -5.234 1.00 0.00 C ATOM 1434 OE1 GLU A 104 12.470 -7.854 -4.390 1.00 0.00 O ATOM 1435 OE2 GLU A 104 14.138 -7.190 -5.650 1.00 0.00 O ATOM 0 H GLU A 104 14.127 -5.361 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 104 13.297 -3.451 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.687 -5.293 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.014 -4.276 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.143 -6.356 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.581 -5.545 -6.668 1.00 0.00 H new ATOM 1442 N ALA A 105 12.948 -3.023 -2.353 1.00 0.00 N ATOM 1443 CA ALA A 105 12.596 -2.078 -1.298 1.00 0.00 C ATOM 1444 C ALA A 105 13.198 -0.700 -1.563 1.00 0.00 C ATOM 1445 O ALA A 105 12.608 0.319 -1.212 1.00 0.00 O ATOM 1446 CB ALA A 105 13.052 -2.609 0.051 1.00 0.00 C ATOM 0 H ALA A 105 13.400 -3.874 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 105 11.512 -1.969 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.785 -1.897 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.566 -3.564 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.133 -2.748 0.041 1.00 0.00 H new ATOM 1452 N GLY A 106 14.366 -0.688 -2.194 1.00 0.00 N ATOM 1453 CA GLY A 106 15.025 0.560 -2.536 1.00 0.00 C ATOM 1454 C GLY A 106 14.181 1.485 -3.406 1.00 0.00 C ATOM 1455 O GLY A 106 14.130 2.691 -3.160 1.00 0.00 O ATOM 0 H GLY A 106 14.872 -1.527 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.290 1.083 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.956 0.337 -3.056 1.00 0.00 H new ATOM 1459 N ASN A 107 13.513 0.938 -4.421 1.00 0.00 N ATOM 1460 CA ASN A 107 12.753 1.769 -5.359 1.00 0.00 C ATOM 1461 C ASN A 107 11.341 2.045 -4.855 1.00 0.00 C ATOM 1462 O ASN A 107 10.657 2.937 -5.362 1.00 0.00 O ATOM 1463 CB ASN A 107 12.690 1.137 -6.761 1.00 0.00 C ATOM 1464 CG ASN A 107 12.019 -0.230 -6.794 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.684 -1.256 -6.660 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.706 -0.261 -7.002 1.00 0.00 N ATOM 0 H ASN A 107 13.481 -0.063 -4.615 1.00 0.00 H new ATOM 0 HA ASN A 107 13.287 2.717 -5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.152 1.811 -7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.703 1.043 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.219 -1.156 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.186 0.610 -7.109 1.00 0.00 H new ATOM 1473 N TYR A 108 10.908 1.293 -3.858 1.00 0.00 N ATOM 1474 CA TYR A 108 9.557 1.439 -3.332 1.00 0.00 C ATOM 1475 C TYR A 108 9.453 2.601 -2.351 1.00 0.00 C ATOM 1476 O TYR A 108 10.207 2.686 -1.384 1.00 0.00 O ATOM 1477 CB TYR A 108 9.094 0.155 -2.654 1.00 0.00 C ATOM 1478 CG TYR A 108 8.571 -0.899 -3.604 1.00 0.00 C ATOM 1479 CD1 TYR A 108 7.379 -0.712 -4.289 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.255 -2.089 -3.795 1.00 0.00 C ATOM 1481 CE1 TYR A 108 6.885 -1.682 -5.138 1.00 0.00 C ATOM 1482 CE2 TYR A 108 8.771 -3.062 -4.646 1.00 0.00 C ATOM 1483 CZ TYR A 108 7.584 -2.854 -5.315 1.00 0.00 C ATOM 1484 OH TYR A 108 7.096 -3.821 -6.162 1.00 0.00 O ATOM 0 H TYR A 108 11.468 0.577 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 108 8.908 1.650 -4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.927 -0.264 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.312 0.400 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.829 0.208 -4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.183 -2.258 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 108 5.954 -1.522 -5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.320 -3.982 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 108 7.710 -4.585 -6.175 1.00 0.00 H new ATOM 1494 N ASN A 109 8.497 3.480 -2.611 1.00 0.00 N ATOM 1495 CA ASN A 109 8.226 4.624 -1.749 1.00 0.00 C ATOM 1496 C ASN A 109 7.233 4.210 -0.674 1.00 0.00 C ATOM 1497 O ASN A 109 6.673 3.122 -0.741 1.00 0.00 O ATOM 1498 CB ASN A 109 7.640 5.790 -2.563 1.00 0.00 C ATOM 1499 CG ASN A 109 8.493 6.163 -3.760 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.453 6.924 -3.646 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.126 5.652 -4.925 1.00 0.00 N ATOM 0 H ASN A 109 7.886 3.422 -3.426 1.00 0.00 H new ATOM 0 HA ASN A 109 9.160 4.953 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.641 5.521 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.532 6.660 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.646 5.886 -5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.324 5.024 -4.977 1.00 0.00 H new ATOM 1508 N TYR A 110 7.025 5.053 0.324 1.00 0.00 N ATOM 1509 CA TYR A 110 6.000 4.793 1.323 1.00 0.00 C ATOM 1510 C TYR A 110 5.537 6.097 1.938 1.00 0.00 C ATOM 1511 O TYR A 110 6.306 7.058 2.025 1.00 0.00 O ATOM 1512 CB TYR A 110 6.502 3.813 2.393 1.00 0.00 C ATOM 1513 CG TYR A 110 7.506 4.367 3.381 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.522 5.223 2.989 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.434 4.010 4.716 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.431 5.712 3.903 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.338 4.494 5.638 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.338 5.348 5.225 1.00 0.00 C ATOM 1519 OH TYR A 110 10.243 5.848 6.133 1.00 0.00 O ATOM 0 H TYR A 110 7.548 5.918 0.464 1.00 0.00 H new ATOM 0 HA TYR A 110 5.148 4.321 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.642 3.441 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 110 6.951 2.956 1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.603 5.512 1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.654 3.338 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.215 6.381 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.263 4.206 6.676 1.00 0.00 H new ATOM 0 HH TYR A 110 9.834 6.588 6.628 1.00 0.00 H new ATOM 1529 N ILE A 111 4.285 6.141 2.356 1.00 0.00 N ATOM 1530 CA ILE A 111 3.722 7.367 2.857 1.00 0.00 C ATOM 1531 C ILE A 111 3.253 7.177 4.288 1.00 0.00 C ATOM 1532 O ILE A 111 2.316 6.430 4.565 1.00 0.00 O ATOM 1533 CB ILE A 111 2.570 7.853 1.949 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.496 6.772 1.811 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.119 8.219 0.576 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.256 7.218 1.065 1.00 0.00 C ATOM 0 H ILE A 111 3.648 5.344 2.356 1.00 0.00 H new ATOM 0 HA ILE A 111 4.493 8.137 2.849 1.00 0.00 H new ATOM 0 HB ILE A 111 2.115 8.733 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.926 5.913 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.206 6.435 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.304 8.561 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.858 9.014 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.589 7.344 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.454 6.392 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.202 8.057 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.530 7.526 0.056 1.00 0.00 H new ATOM 1548 N HIS A 112 3.940 7.828 5.204 1.00 0.00 N ATOM 1549 CA HIS A 112 3.612 7.707 6.611 1.00 0.00 C ATOM 1550 C HIS A 112 3.477 9.091 7.220 1.00 0.00 C ATOM 1551 O HIS A 112 4.218 9.997 6.857 1.00 0.00 O ATOM 1552 CB HIS A 112 4.669 6.870 7.354 1.00 0.00 C ATOM 1553 CG HIS A 112 6.039 7.486 7.411 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.504 8.153 8.521 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.051 7.521 6.503 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.733 8.572 8.300 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.091 8.205 7.084 1.00 0.00 N ATOM 0 H HIS A 112 4.727 8.445 5.001 1.00 0.00 H new ATOM 0 HA HIS A 112 2.660 7.185 6.711 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.323 6.695 8.373 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.745 5.896 6.871 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.978 8.300 9.382 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.039 7.092 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.346 9.124 8.998 1.00 0.00 H new ATOM 1566 N ILE A 113 2.520 9.249 8.122 1.00 0.00 N ATOM 1567 CA ILE A 113 2.226 10.531 8.731 1.00 0.00 C ATOM 1568 C ILE A 113 3.450 11.123 9.429 1.00 0.00 C ATOM 1569 O ILE A 113 3.831 10.626 10.508 1.00 0.00 O ATOM 1570 CB ILE A 113 1.054 10.396 9.724 1.00 0.00 C ATOM 1571 CG1 ILE A 113 1.161 9.082 10.511 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.274 10.480 8.986 1.00 0.00 C ATOM 1573 CD1 ILE A 113 0.026 8.853 11.486 1.00 0.00 C ATOM 1574 OXT ILE A 113 4.033 12.084 8.887 1.00 0.00 O ATOM 0 H ILE A 113 1.926 8.488 8.451 1.00 0.00 H new ATOM 0 HA ILE A 113 1.940 11.217 7.933 1.00 0.00 H new ATOM 0 HB ILE A 113 1.104 11.220 10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 113 1.195 8.251 9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 113 2.104 9.074 11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.093 10.383 9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.347 11.441 8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.334 9.676 8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.175 7.904 12.002 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.004 9.663 12.215 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.919 8.826 10.944 1.00 0.00 H new