USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 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 82 GLN : amide:sc= 0.356 K(o=0.53,f=-0.78!) USER MOD Set 1.2: A 86 GLN :FLIP amide:sc= 0.176 F(o=-0.78,f=0.53) USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -4.75! C(o=-4.7!,f=-7.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 36 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.779 F(o=-2.6,f=-0.78) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 84 SER OG : rot 180:sc= -0.559 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.1) USER MOD Single : A 100 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.4!) USER MOD Single : A 105 THR OG1 : rot -8:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -7.874 4.232 -14.932 1.00 65.10 N ATOM 115 CA GLN A 30 -8.262 5.488 -15.561 1.00 52.53 C ATOM 116 C GLN A 30 -9.674 5.890 -15.149 1.00 14.05 C ATOM 117 O GLN A 30 -10.356 6.626 -15.863 1.00 23.31 O ATOM 118 CB GLN A 30 -8.178 5.368 -17.084 1.00 0.21 C ATOM 119 CG GLN A 30 -6.919 4.668 -17.570 1.00 75.22 C ATOM 120 CD GLN A 30 -6.667 4.882 -19.050 1.00 31.34 C ATOM 121 OE1 GLN A 30 -5.542 5.159 -19.465 1.00 42.34 O ATOM 122 NE2 GLN A 30 -7.716 4.753 -19.854 1.00 2.20 N ATOM 0 HA GLN A 30 -7.571 6.261 -15.226 1.00 52.53 H new ATOM 0 HB2 GLN A 30 -9.050 4.823 -17.446 1.00 0.21 H new ATOM 0 HB3 GLN A 30 -8.221 6.365 -17.522 1.00 0.21 H new ATOM 0 HG2 GLN A 30 -6.063 5.033 -17.003 1.00 75.22 H new ATOM 0 HG3 GLN A 30 -7.002 3.600 -17.370 1.00 75.22 H new ATOM 0 HE21 GLN A 30 -8.631 4.522 -19.466 1.00 2.20 H new ATOM 0 HE22 GLN A 30 -7.607 4.885 -20.860 1.00 2.20 H new ATOM 131 N VAL A 31 -10.109 5.402 -13.991 1.00 62.40 N ATOM 132 CA VAL A 31 -11.440 5.710 -13.482 1.00 40.15 C ATOM 133 C VAL A 31 -11.403 5.997 -11.986 1.00 15.14 C ATOM 134 O VAL A 31 -10.506 5.542 -11.277 1.00 21.32 O ATOM 135 CB VAL A 31 -12.424 4.556 -13.749 1.00 31.52 C ATOM 136 CG1 VAL A 31 -12.448 4.205 -15.229 1.00 14.13 C ATOM 137 CG2 VAL A 31 -12.058 3.340 -12.911 1.00 20.04 C ATOM 0 H VAL A 31 -9.558 4.791 -13.388 1.00 62.40 H new ATOM 0 HA VAL A 31 -11.783 6.599 -14.011 1.00 40.15 H new ATOM 0 HB VAL A 31 -13.424 4.881 -13.461 1.00 31.52 H new ATOM 0 HG11 VAL A 31 -13.149 3.388 -15.398 1.00 14.13 H new ATOM 0 HG12 VAL A 31 -12.761 5.076 -15.805 1.00 14.13 H new ATOM 0 HG13 VAL A 31 -11.451 3.899 -15.547 1.00 14.13 H new ATOM 0 HG21 VAL A 31 -12.764 2.534 -13.112 1.00 20.04 H new ATOM 0 HG22 VAL A 31 -11.050 3.012 -13.166 1.00 20.04 H new ATOM 0 HG23 VAL A 31 -12.098 3.602 -11.854 1.00 20.04 H new ATOM 147 N VAL A 32 -12.386 6.756 -11.510 1.00 31.30 N ATOM 148 CA VAL A 32 -12.468 7.103 -10.096 1.00 61.22 C ATOM 149 C VAL A 32 -13.870 6.856 -9.550 1.00 43.11 C ATOM 150 O VAL A 32 -14.866 7.132 -10.220 1.00 33.44 O ATOM 151 CB VAL A 32 -12.088 8.576 -9.857 1.00 44.11 C ATOM 152 CG1 VAL A 32 -10.766 8.904 -10.536 1.00 33.43 C ATOM 153 CG2 VAL A 32 -13.193 9.498 -10.350 1.00 64.14 C ATOM 0 H VAL A 32 -13.136 7.142 -12.083 1.00 31.30 H new ATOM 0 HA VAL A 32 -11.759 6.463 -9.571 1.00 61.22 H new ATOM 0 HB VAL A 32 -11.967 8.732 -8.785 1.00 44.11 H new ATOM 0 HG11 VAL A 32 -10.514 9.949 -10.356 1.00 33.43 H new ATOM 0 HG12 VAL A 32 -9.981 8.266 -10.130 1.00 33.43 H new ATOM 0 HG13 VAL A 32 -10.855 8.732 -11.609 1.00 33.43 H new ATOM 0 HG21 VAL A 32 -12.908 10.535 -10.173 1.00 64.14 H new ATOM 0 HG22 VAL A 32 -13.348 9.341 -11.417 1.00 64.14 H new ATOM 0 HG23 VAL A 32 -14.116 9.279 -9.813 1.00 64.14 H new ATOM 163 N LEU A 33 -13.940 6.336 -8.330 1.00 20.22 N ATOM 164 CA LEU A 33 -15.221 6.052 -7.692 1.00 22.13 C ATOM 165 C LEU A 33 -15.510 7.056 -6.581 1.00 53.50 C ATOM 166 O LEU A 33 -14.752 7.166 -5.617 1.00 11.20 O ATOM 167 CB LEU A 33 -15.226 4.631 -7.124 1.00 54.33 C ATOM 168 CG LEU A 33 -16.141 4.392 -5.922 1.00 43.42 C ATOM 169 CD1 LEU A 33 -17.579 4.746 -6.267 1.00 10.43 C ATOM 170 CD2 LEU A 33 -16.042 2.947 -5.456 1.00 52.12 C ATOM 0 H LEU A 33 -13.125 6.102 -7.763 1.00 20.22 H new ATOM 0 HA LEU A 33 -16.002 6.138 -8.447 1.00 22.13 H new ATOM 0 HB2 LEU A 33 -15.517 3.944 -7.919 1.00 54.33 H new ATOM 0 HB3 LEU A 33 -14.207 4.372 -6.837 1.00 54.33 H new ATOM 0 HG LEU A 33 -15.815 5.039 -5.107 1.00 43.42 H new ATOM 0 HD11 LEU A 33 -18.215 4.570 -5.400 1.00 10.43 H new ATOM 0 HD12 LEU A 33 -17.637 5.797 -6.552 1.00 10.43 H new ATOM 0 HD13 LEU A 33 -17.917 4.126 -7.097 1.00 10.43 H new ATOM 0 HD21 LEU A 33 -16.700 2.795 -4.600 1.00 52.12 H new ATOM 0 HD22 LEU A 33 -16.341 2.282 -6.266 1.00 52.12 H new ATOM 0 HD23 LEU A 33 -15.014 2.727 -5.167 1.00 52.12 H new ATOM 182 N ILE A 34 -16.612 7.785 -6.722 1.00 52.43 N ATOM 183 CA ILE A 34 -17.003 8.778 -5.729 1.00 53.22 C ATOM 184 C ILE A 34 -18.211 8.306 -4.926 1.00 43.31 C ATOM 185 O ILE A 34 -19.079 7.603 -5.444 1.00 12.41 O ATOM 186 CB ILE A 34 -17.335 10.131 -6.386 1.00 4.20 C ATOM 187 CG1 ILE A 34 -18.472 9.967 -7.397 1.00 2.45 C ATOM 188 CG2 ILE A 34 -16.099 10.710 -7.060 1.00 33.44 C ATOM 189 CD1 ILE A 34 -18.000 9.909 -8.833 1.00 31.44 C ATOM 0 H ILE A 34 -17.250 7.707 -7.514 1.00 52.43 H new ATOM 0 HA ILE A 34 -16.152 8.907 -5.060 1.00 53.22 H new ATOM 0 HB ILE A 34 -17.661 10.824 -5.611 1.00 4.20 H new ATOM 0 HG12 ILE A 34 -19.023 9.055 -7.167 1.00 2.45 H new ATOM 0 HG13 ILE A 34 -19.169 10.797 -7.285 1.00 2.45 H new ATOM 0 HG21 ILE A 34 -16.349 11.666 -7.520 1.00 33.44 H new ATOM 0 HG22 ILE A 34 -15.315 10.859 -6.317 1.00 33.44 H new ATOM 0 HG23 ILE A 34 -15.746 10.020 -7.827 1.00 33.44 H new ATOM 0 HD11 ILE A 34 -18.859 9.792 -9.494 1.00 31.44 H new ATOM 0 HD12 ILE A 34 -17.474 10.831 -9.081 1.00 31.44 H new ATOM 0 HD13 ILE A 34 -17.326 9.062 -8.961 1.00 31.44 H new ATOM 201 N THR A 35 -18.261 8.699 -3.657 1.00 4.11 N ATOM 202 CA THR A 35 -19.362 8.317 -2.782 1.00 4.54 C ATOM 203 C THR A 35 -19.740 9.459 -1.844 1.00 61.34 C ATOM 204 O THR A 35 -19.217 10.566 -1.958 1.00 2.44 O ATOM 205 CB THR A 35 -19.007 7.075 -1.942 1.00 55.25 C ATOM 206 OG1 THR A 35 -18.012 7.409 -0.969 1.00 1.20 O ATOM 207 CG2 THR A 35 -18.499 5.950 -2.830 1.00 65.43 C ATOM 0 H THR A 35 -17.552 9.282 -3.212 1.00 4.11 H new ATOM 0 HA THR A 35 -20.210 8.082 -3.425 1.00 4.54 H new ATOM 0 HB THR A 35 -19.910 6.736 -1.434 1.00 55.25 H new ATOM 0 HG1 THR A 35 -17.794 6.614 -0.438 1.00 1.20 H new ATOM 0 HG21 THR A 35 -18.255 5.084 -2.215 1.00 65.43 H new ATOM 0 HG22 THR A 35 -19.271 5.678 -3.550 1.00 65.43 H new ATOM 0 HG23 THR A 35 -17.607 6.281 -3.362 1.00 65.43 H new ATOM 215 N ASN A 36 -20.652 9.180 -0.918 1.00 42.34 N ATOM 216 CA ASN A 36 -21.100 10.185 0.039 1.00 20.22 C ATOM 217 C ASN A 36 -21.852 11.310 -0.665 1.00 13.02 C ATOM 218 O ASN A 36 -21.917 12.434 -0.166 1.00 44.11 O ATOM 219 CB ASN A 36 -19.906 10.757 0.807 1.00 71.54 C ATOM 220 CG ASN A 36 -20.068 10.625 2.309 1.00 40.53 C ATOM 221 OD1 ASN A 36 -19.702 9.608 2.897 1.00 33.12 O ATOM 222 ND2 ASN A 36 -20.619 11.658 2.937 1.00 63.05 N ATOM 0 H ASN A 36 -21.095 8.267 -0.810 1.00 42.34 H new ATOM 0 HA ASN A 36 -21.779 9.703 0.743 1.00 20.22 H new ATOM 0 HB2 ASN A 36 -18.997 10.242 0.496 1.00 71.54 H new ATOM 0 HB3 ASN A 36 -19.781 11.809 0.549 1.00 71.54 H new ATOM 0 HD21 ASN A 36 -20.753 11.628 3.948 1.00 63.05 H new ATOM 0 HD22 ASN A 36 -20.908 12.481 2.408 1.00 63.05 H new ATOM 229 N ILE A 37 -22.420 10.999 -1.825 1.00 50.22 N ATOM 230 CA ILE A 37 -23.169 11.983 -2.596 1.00 52.34 C ATOM 231 C ILE A 37 -24.663 11.886 -2.308 1.00 14.23 C ATOM 232 O ILE A 37 -25.219 10.792 -2.221 1.00 12.21 O ATOM 233 CB ILE A 37 -22.938 11.808 -4.109 1.00 4.21 C ATOM 234 CG1 ILE A 37 -23.240 10.369 -4.530 1.00 75.21 C ATOM 235 CG2 ILE A 37 -21.509 12.183 -4.473 1.00 24.23 C ATOM 236 CD1 ILE A 37 -23.221 10.161 -6.028 1.00 74.12 C ATOM 0 H ILE A 37 -22.376 10.073 -2.251 1.00 50.22 H new ATOM 0 HA ILE A 37 -22.805 12.964 -2.292 1.00 52.34 H new ATOM 0 HB ILE A 37 -23.616 12.473 -4.644 1.00 4.21 H new ATOM 0 HG12 ILE A 37 -22.510 9.704 -4.070 1.00 75.21 H new ATOM 0 HG13 ILE A 37 -24.219 10.084 -4.144 1.00 75.21 H new ATOM 0 HG21 ILE A 37 -21.361 12.054 -5.545 1.00 24.23 H new ATOM 0 HG22 ILE A 37 -21.326 13.223 -4.204 1.00 24.23 H new ATOM 0 HG23 ILE A 37 -20.815 11.541 -3.931 1.00 24.23 H new ATOM 0 HD11 ILE A 37 -23.443 9.118 -6.253 1.00 74.12 H new ATOM 0 HD12 ILE A 37 -23.971 10.801 -6.494 1.00 74.12 H new ATOM 0 HD13 ILE A 37 -22.235 10.414 -6.418 1.00 74.12 H new ATOM 248 N ASN A 38 -25.308 13.039 -2.162 1.00 14.12 N ATOM 249 CA ASN A 38 -26.739 13.084 -1.884 1.00 55.42 C ATOM 250 C ASN A 38 -27.548 12.945 -3.171 1.00 2.44 C ATOM 251 O ASN A 38 -27.357 13.686 -4.136 1.00 35.22 O ATOM 252 CB ASN A 38 -27.102 14.393 -1.180 1.00 12.24 C ATOM 253 CG ASN A 38 -27.681 14.164 0.203 1.00 11.23 C ATOM 254 OD1 ASN A 38 -27.375 13.168 0.859 1.00 10.54 O ATOM 255 ND2 ASN A 38 -28.523 15.088 0.652 1.00 21.25 N ATOM 0 H ASN A 38 -24.863 13.954 -2.232 1.00 14.12 H new ATOM 0 HA ASN A 38 -26.983 12.247 -1.230 1.00 55.42 H new ATOM 0 HB2 ASN A 38 -26.213 15.018 -1.100 1.00 12.24 H new ATOM 0 HB3 ASN A 38 -27.823 14.941 -1.787 1.00 12.24 H new ATOM 0 HD21 ASN A 38 -28.945 14.988 1.575 1.00 21.25 H new ATOM 0 HD22 ASN A 38 -28.748 15.897 0.073 1.00 21.25 H new ATOM 262 N PRO A 39 -28.473 11.974 -3.186 1.00 41.41 N ATOM 263 CA PRO A 39 -29.330 11.716 -4.347 1.00 62.20 C ATOM 264 C PRO A 39 -30.350 12.826 -4.573 1.00 51.32 C ATOM 265 O PRO A 39 -31.066 12.829 -5.574 1.00 61.30 O ATOM 266 CB PRO A 39 -30.036 10.407 -3.983 1.00 5.34 C ATOM 267 CG PRO A 39 -30.027 10.374 -2.493 1.00 51.43 C ATOM 268 CD PRO A 39 -28.754 11.054 -2.071 1.00 50.32 C ATOM 0 HA PRO A 39 -28.757 11.664 -5.273 1.00 62.20 H new ATOM 0 HB2 PRO A 39 -31.053 10.384 -4.373 1.00 5.34 H new ATOM 0 HB3 PRO A 39 -29.514 9.546 -4.401 1.00 5.34 H new ATOM 0 HG2 PRO A 39 -30.898 10.888 -2.086 1.00 51.43 H new ATOM 0 HG3 PRO A 39 -30.062 9.349 -2.125 1.00 51.43 H new ATOM 0 HD2 PRO A 39 -28.877 11.589 -1.130 1.00 50.32 H new ATOM 0 HD3 PRO A 39 -27.945 10.338 -1.927 1.00 50.32 H new ATOM 276 N GLU A 40 -30.410 13.768 -3.637 1.00 13.20 N ATOM 277 CA GLU A 40 -31.344 14.884 -3.736 1.00 31.24 C ATOM 278 C GLU A 40 -31.234 15.567 -5.096 1.00 31.31 C ATOM 279 O GLU A 40 -32.205 16.132 -5.600 1.00 2.14 O ATOM 280 CB GLU A 40 -31.081 15.898 -2.621 1.00 0.13 C ATOM 281 CG GLU A 40 -32.224 16.021 -1.628 1.00 15.52 C ATOM 282 CD GLU A 40 -32.551 17.463 -1.290 1.00 52.34 C ATOM 283 OE1 GLU A 40 -32.874 18.232 -2.220 1.00 3.22 O ATOM 284 OE2 GLU A 40 -32.484 17.822 -0.096 1.00 15.10 O ATOM 0 H GLU A 40 -29.824 13.781 -2.802 1.00 13.20 H new ATOM 0 HA GLU A 40 -32.354 14.489 -3.628 1.00 31.24 H new ATOM 0 HB2 GLU A 40 -30.176 15.611 -2.086 1.00 0.13 H new ATOM 0 HB3 GLU A 40 -30.892 16.874 -3.067 1.00 0.13 H new ATOM 0 HG2 GLU A 40 -33.111 15.538 -2.039 1.00 15.52 H new ATOM 0 HG3 GLU A 40 -31.965 15.487 -0.714 1.00 15.52 H new ATOM 291 N VAL A 41 -30.044 15.510 -5.685 1.00 40.33 N ATOM 292 CA VAL A 41 -29.806 16.122 -6.987 1.00 42.21 C ATOM 293 C VAL A 41 -30.000 15.113 -8.113 1.00 31.42 C ATOM 294 O VAL A 41 -29.513 13.983 -8.058 1.00 41.23 O ATOM 295 CB VAL A 41 -28.385 16.710 -7.079 1.00 52.33 C ATOM 296 CG1 VAL A 41 -27.343 15.633 -6.818 1.00 13.40 C ATOM 297 CG2 VAL A 41 -28.165 17.359 -8.438 1.00 23.33 C ATOM 0 H VAL A 41 -29.230 15.046 -5.282 1.00 40.33 H new ATOM 0 HA VAL A 41 -30.533 16.927 -7.096 1.00 42.21 H new ATOM 0 HB VAL A 41 -28.278 17.478 -6.313 1.00 52.33 H new ATOM 0 HG11 VAL A 41 -26.346 16.067 -6.887 1.00 13.40 H new ATOM 0 HG12 VAL A 41 -27.490 15.219 -5.821 1.00 13.40 H new ATOM 0 HG13 VAL A 41 -27.446 14.840 -7.559 1.00 13.40 H new ATOM 0 HG21 VAL A 41 -27.156 17.769 -8.486 1.00 23.33 H new ATOM 0 HG22 VAL A 41 -28.291 16.613 -9.222 1.00 23.33 H new ATOM 0 HG23 VAL A 41 -28.890 18.161 -8.580 1.00 23.33 H new ATOM 307 N PRO A 42 -30.729 15.527 -9.160 1.00 31.13 N ATOM 308 CA PRO A 42 -31.004 14.674 -10.320 1.00 11.02 C ATOM 309 C PRO A 42 -29.758 14.422 -11.162 1.00 72.41 C ATOM 310 O PRO A 42 -28.947 15.323 -11.376 1.00 14.10 O ATOM 311 CB PRO A 42 -32.034 15.480 -11.116 1.00 63.51 C ATOM 312 CG PRO A 42 -31.790 16.897 -10.726 1.00 63.44 C ATOM 313 CD PRO A 42 -31.341 16.860 -9.292 1.00 25.02 C ATOM 0 HA PRO A 42 -31.352 13.684 -10.025 1.00 11.02 H new ATOM 0 HB2 PRO A 42 -31.905 15.337 -12.189 1.00 63.51 H new ATOM 0 HB3 PRO A 42 -33.051 15.172 -10.873 1.00 63.51 H new ATOM 0 HG2 PRO A 42 -31.030 17.351 -11.361 1.00 63.44 H new ATOM 0 HG3 PRO A 42 -32.696 17.494 -10.836 1.00 63.44 H new ATOM 0 HD2 PRO A 42 -30.626 17.654 -9.074 1.00 25.02 H new ATOM 0 HD3 PRO A 42 -32.178 16.988 -8.605 1.00 25.02 H new ATOM 321 N LYS A 43 -29.612 13.190 -11.639 1.00 5.13 N ATOM 322 CA LYS A 43 -28.465 12.818 -12.460 1.00 13.33 C ATOM 323 C LYS A 43 -28.227 13.848 -13.559 1.00 44.32 C ATOM 324 O LYS A 43 -27.086 14.110 -13.939 1.00 60.24 O ATOM 325 CB LYS A 43 -28.683 11.436 -13.079 1.00 44.14 C ATOM 326 CG LYS A 43 -27.717 11.117 -14.208 1.00 32.12 C ATOM 327 CD LYS A 43 -27.789 9.652 -14.606 1.00 13.22 C ATOM 328 CE LYS A 43 -27.664 9.477 -16.111 1.00 65.24 C ATOM 329 NZ LYS A 43 -28.464 8.322 -16.604 1.00 71.11 N ATOM 0 H LYS A 43 -30.274 12.432 -11.471 1.00 5.13 H new ATOM 0 HA LYS A 43 -27.584 12.787 -11.819 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -28.583 10.679 -12.301 1.00 44.14 H new ATOM 0 HB3 LYS A 43 -29.704 11.373 -13.456 1.00 44.14 H new ATOM 0 HG2 LYS A 43 -27.946 11.741 -15.072 1.00 32.12 H new ATOM 0 HG3 LYS A 43 -26.701 11.361 -13.899 1.00 32.12 H new ATOM 0 HD2 LYS A 43 -26.993 9.099 -14.107 1.00 13.22 H new ATOM 0 HD3 LYS A 43 -28.734 9.228 -14.266 1.00 13.22 H new ATOM 0 HE2 LYS A 43 -27.995 10.387 -16.611 1.00 65.24 H new ATOM 0 HE3 LYS A 43 -26.616 9.331 -16.374 1.00 65.24 H new ATOM 0 HZ1 LYS A 43 -28.352 8.237 -17.634 1.00 71.11 H new ATOM 0 HZ2 LYS A 43 -28.132 7.449 -16.146 1.00 71.11 H new ATOM 0 HZ3 LYS A 43 -29.468 8.472 -16.376 1.00 71.11 H new ATOM 343 N GLU A 44 -29.310 14.430 -14.064 1.00 51.03 N ATOM 344 CA GLU A 44 -29.217 15.432 -15.120 1.00 24.13 C ATOM 345 C GLU A 44 -28.212 16.519 -14.750 1.00 44.12 C ATOM 346 O GLU A 44 -27.270 16.789 -15.496 1.00 4.55 O ATOM 347 CB GLU A 44 -30.588 16.058 -15.382 1.00 60.43 C ATOM 348 CG GLU A 44 -31.282 15.506 -16.616 1.00 53.33 C ATOM 349 CD GLU A 44 -32.793 15.503 -16.483 1.00 62.21 C ATOM 350 OE1 GLU A 44 -33.419 16.534 -16.807 1.00 4.12 O ATOM 351 OE2 GLU A 44 -33.349 14.470 -16.055 1.00 61.15 O ATOM 0 H GLU A 44 -30.262 14.225 -13.759 1.00 51.03 H new ATOM 0 HA GLU A 44 -28.873 14.936 -16.028 1.00 24.13 H new ATOM 0 HB2 GLU A 44 -31.225 15.894 -14.513 1.00 60.43 H new ATOM 0 HB3 GLU A 44 -30.471 17.136 -15.493 1.00 60.43 H new ATOM 0 HG2 GLU A 44 -30.999 16.101 -17.484 1.00 53.33 H new ATOM 0 HG3 GLU A 44 -30.935 14.489 -16.799 1.00 53.33 H new ATOM 358 N LYS A 45 -28.419 17.140 -13.594 1.00 54.53 N ATOM 359 CA LYS A 45 -27.533 18.198 -13.123 1.00 40.14 C ATOM 360 C LYS A 45 -26.318 17.613 -12.411 1.00 31.43 C ATOM 361 O LYS A 45 -25.190 18.064 -12.612 1.00 0.41 O ATOM 362 CB LYS A 45 -28.285 19.140 -12.181 1.00 53.40 C ATOM 363 CG LYS A 45 -29.410 19.906 -12.856 1.00 71.45 C ATOM 364 CD LYS A 45 -30.184 20.753 -11.861 1.00 11.50 C ATOM 365 CE LYS A 45 -31.599 20.230 -11.664 1.00 43.34 C ATOM 366 NZ LYS A 45 -32.593 21.012 -12.451 1.00 32.53 N ATOM 0 H LYS A 45 -29.194 16.929 -12.965 1.00 54.53 H new ATOM 0 HA LYS A 45 -27.188 18.761 -13.990 1.00 40.14 H new ATOM 0 HB2 LYS A 45 -28.696 18.561 -11.354 1.00 53.40 H new ATOM 0 HB3 LYS A 45 -27.579 19.851 -11.752 1.00 53.40 H new ATOM 0 HG2 LYS A 45 -28.998 20.546 -13.637 1.00 71.45 H new ATOM 0 HG3 LYS A 45 -30.088 19.205 -13.343 1.00 71.45 H new ATOM 0 HD2 LYS A 45 -29.662 20.761 -10.904 1.00 11.50 H new ATOM 0 HD3 LYS A 45 -30.222 21.784 -12.212 1.00 11.50 H new ATOM 0 HE2 LYS A 45 -31.644 19.182 -11.961 1.00 43.34 H new ATOM 0 HE3 LYS A 45 -31.858 20.273 -10.606 1.00 43.34 H new ATOM 0 HZ1 LYS A 45 -33.545 20.625 -12.290 1.00 32.53 H new ATOM 0 HZ2 LYS A 45 -32.568 22.007 -12.150 1.00 32.53 H new ATOM 0 HZ3 LYS A 45 -32.361 20.950 -13.463 1.00 32.53 H new ATOM 380 N LEU A 46 -26.555 16.605 -11.579 1.00 31.54 N ATOM 381 CA LEU A 46 -25.479 15.956 -10.837 1.00 35.42 C ATOM 382 C LEU A 46 -24.360 15.516 -11.774 1.00 64.05 C ATOM 383 O LEU A 46 -23.186 15.789 -11.525 1.00 21.45 O ATOM 384 CB LEU A 46 -26.020 14.749 -10.068 1.00 24.41 C ATOM 385 CG LEU A 46 -25.161 13.484 -10.115 1.00 13.02 C ATOM 386 CD1 LEU A 46 -23.826 13.720 -9.427 1.00 24.30 C ATOM 387 CD2 LEU A 46 -25.896 12.317 -9.472 1.00 21.24 C ATOM 0 H LEU A 46 -27.482 16.219 -11.401 1.00 31.54 H new ATOM 0 HA LEU A 46 -25.072 16.678 -10.129 1.00 35.42 H new ATOM 0 HB2 LEU A 46 -26.151 15.037 -9.025 1.00 24.41 H new ATOM 0 HB3 LEU A 46 -27.009 14.508 -10.459 1.00 24.41 H new ATOM 0 HG LEU A 46 -24.969 13.236 -11.159 1.00 13.02 H new ATOM 0 HD11 LEU A 46 -23.228 12.809 -9.470 1.00 24.30 H new ATOM 0 HD12 LEU A 46 -23.295 14.527 -9.931 1.00 24.30 H new ATOM 0 HD13 LEU A 46 -23.997 13.993 -8.386 1.00 24.30 H new ATOM 0 HD21 LEU A 46 -25.270 11.425 -9.514 1.00 21.24 H new ATOM 0 HD22 LEU A 46 -26.118 12.556 -8.432 1.00 21.24 H new ATOM 0 HD23 LEU A 46 -26.827 12.133 -10.009 1.00 21.24 H new ATOM 399 N GLN A 47 -24.732 14.837 -12.854 1.00 64.55 N ATOM 400 CA GLN A 47 -23.758 14.361 -13.830 1.00 61.11 C ATOM 401 C GLN A 47 -23.043 15.530 -14.500 1.00 23.33 C ATOM 402 O GLN A 47 -21.816 15.549 -14.592 1.00 23.34 O ATOM 403 CB GLN A 47 -24.445 13.495 -14.887 1.00 70.23 C ATOM 404 CG GLN A 47 -23.485 12.900 -15.905 1.00 4.14 C ATOM 405 CD GLN A 47 -24.100 12.775 -17.284 1.00 42.35 C ATOM 406 OE1 GLN A 47 -24.333 13.774 -17.965 1.00 55.43 O ATOM 407 NE2 GLN A 47 -24.366 11.544 -17.705 1.00 44.33 N ATOM 0 H GLN A 47 -25.700 14.604 -13.076 1.00 64.55 H new ATOM 0 HA GLN A 47 -23.017 13.759 -13.303 1.00 61.11 H new ATOM 0 HB2 GLN A 47 -24.981 12.687 -14.390 1.00 70.23 H new ATOM 0 HB3 GLN A 47 -25.189 14.096 -15.410 1.00 70.23 H new ATOM 0 HG2 GLN A 47 -22.593 13.523 -15.965 1.00 4.14 H new ATOM 0 HG3 GLN A 47 -23.164 11.916 -15.564 1.00 4.14 H new ATOM 0 HE21 GLN A 47 -24.157 10.744 -17.108 1.00 44.33 H new ATOM 0 HE22 GLN A 47 -24.780 11.398 -18.626 1.00 44.33 H new ATOM 416 N ALA A 48 -23.818 16.503 -14.966 1.00 74.22 N ATOM 417 CA ALA A 48 -23.259 17.676 -15.626 1.00 23.02 C ATOM 418 C ALA A 48 -22.282 18.407 -14.711 1.00 15.05 C ATOM 419 O ALA A 48 -21.315 19.013 -15.174 1.00 75.13 O ATOM 420 CB ALA A 48 -24.372 18.613 -16.070 1.00 11.34 C ATOM 0 H ALA A 48 -24.836 16.502 -14.899 1.00 74.22 H new ATOM 0 HA ALA A 48 -22.710 17.340 -16.506 1.00 23.02 H new ATOM 0 HB1 ALA A 48 -23.940 19.485 -16.561 1.00 11.34 H new ATOM 0 HB2 ALA A 48 -25.029 18.093 -16.767 1.00 11.34 H new ATOM 0 HB3 ALA A 48 -24.946 18.934 -15.201 1.00 11.34 H new ATOM 426 N LEU A 49 -22.541 18.347 -13.409 1.00 15.30 N ATOM 427 CA LEU A 49 -21.685 19.005 -12.428 1.00 34.34 C ATOM 428 C LEU A 49 -20.356 18.271 -12.286 1.00 63.24 C ATOM 429 O LEU A 49 -19.287 18.879 -12.365 1.00 33.22 O ATOM 430 CB LEU A 49 -22.390 19.073 -11.071 1.00 62.15 C ATOM 431 CG LEU A 49 -22.668 20.475 -10.529 1.00 41.33 C ATOM 432 CD1 LEU A 49 -21.396 21.310 -10.530 1.00 34.45 C ATOM 433 CD2 LEU A 49 -23.755 21.157 -11.347 1.00 14.13 C ATOM 0 H LEU A 49 -23.336 17.850 -13.009 1.00 15.30 H new ATOM 0 HA LEU A 49 -21.485 20.018 -12.778 1.00 34.34 H new ATOM 0 HB2 LEU A 49 -23.338 18.541 -11.150 1.00 62.15 H new ATOM 0 HB3 LEU A 49 -21.783 18.537 -10.341 1.00 62.15 H new ATOM 0 HG LEU A 49 -23.018 20.383 -9.501 1.00 41.33 H new ATOM 0 HD11 LEU A 49 -21.613 22.305 -10.141 1.00 34.45 H new ATOM 0 HD12 LEU A 49 -20.646 20.831 -9.901 1.00 34.45 H new ATOM 0 HD13 LEU A 49 -21.017 21.394 -11.548 1.00 34.45 H new ATOM 0 HD21 LEU A 49 -23.940 22.154 -10.947 1.00 14.13 H new ATOM 0 HD22 LEU A 49 -23.433 21.237 -12.385 1.00 14.13 H new ATOM 0 HD23 LEU A 49 -24.672 20.570 -11.295 1.00 14.13 H new ATOM 445 N LEU A 50 -20.428 16.961 -12.080 1.00 32.50 N ATOM 446 CA LEU A 50 -19.230 16.142 -11.930 1.00 40.13 C ATOM 447 C LEU A 50 -18.297 16.319 -13.124 1.00 1.32 C ATOM 448 O LEU A 50 -17.080 16.173 -13.001 1.00 15.41 O ATOM 449 CB LEU A 50 -19.611 14.668 -11.780 1.00 44.15 C ATOM 450 CG LEU A 50 -20.408 14.305 -10.528 1.00 35.04 C ATOM 451 CD1 LEU A 50 -20.752 12.824 -10.524 1.00 73.45 C ATOM 452 CD2 LEU A 50 -19.631 14.676 -9.274 1.00 4.54 C ATOM 0 H LEU A 50 -21.304 16.443 -12.013 1.00 32.50 H new ATOM 0 HA LEU A 50 -18.707 16.469 -11.031 1.00 40.13 H new ATOM 0 HB2 LEU A 50 -20.191 14.373 -12.654 1.00 44.15 H new ATOM 0 HB3 LEU A 50 -18.697 14.074 -11.789 1.00 44.15 H new ATOM 0 HG LEU A 50 -21.338 14.873 -10.537 1.00 35.04 H new ATOM 0 HD11 LEU A 50 -21.320 12.585 -9.625 1.00 73.45 H new ATOM 0 HD12 LEU A 50 -21.350 12.587 -11.404 1.00 73.45 H new ATOM 0 HD13 LEU A 50 -19.834 12.237 -10.540 1.00 73.45 H new ATOM 0 HD21 LEU A 50 -20.214 14.410 -8.392 1.00 4.54 H new ATOM 0 HD22 LEU A 50 -18.684 14.136 -9.259 1.00 4.54 H new ATOM 0 HD23 LEU A 50 -19.437 15.749 -9.270 1.00 4.54 H new ATOM 464 N TYR A 51 -18.874 16.637 -14.277 1.00 72.53 N ATOM 465 CA TYR A 51 -18.094 16.834 -15.493 1.00 75.35 C ATOM 466 C TYR A 51 -17.327 18.151 -15.441 1.00 11.30 C ATOM 467 O TYR A 51 -16.132 18.198 -15.730 1.00 40.44 O ATOM 468 CB TYR A 51 -19.009 16.812 -16.720 1.00 24.43 C ATOM 469 CG TYR A 51 -18.266 16.640 -18.026 1.00 10.35 C ATOM 470 CD1 TYR A 51 -17.403 17.624 -18.491 1.00 41.42 C ATOM 471 CD2 TYR A 51 -18.427 15.493 -18.793 1.00 41.33 C ATOM 472 CE1 TYR A 51 -16.723 17.472 -19.684 1.00 52.21 C ATOM 473 CE2 TYR A 51 -17.750 15.332 -19.987 1.00 31.12 C ATOM 474 CZ TYR A 51 -16.900 16.324 -20.428 1.00 42.31 C ATOM 475 OH TYR A 51 -16.223 16.168 -21.616 1.00 54.33 O ATOM 0 H TYR A 51 -19.879 16.764 -14.395 1.00 72.53 H new ATOM 0 HA TYR A 51 -17.375 16.018 -15.569 1.00 75.35 H new ATOM 0 HB2 TYR A 51 -19.729 16.001 -16.612 1.00 24.43 H new ATOM 0 HB3 TYR A 51 -19.578 17.741 -16.755 1.00 24.43 H new ATOM 0 HD1 TYR A 51 -17.261 18.523 -17.910 1.00 41.42 H new ATOM 0 HD2 TYR A 51 -19.092 14.714 -18.451 1.00 41.33 H new ATOM 0 HE1 TYR A 51 -16.057 18.247 -20.032 1.00 52.21 H new ATOM 0 HE2 TYR A 51 -17.886 14.434 -20.571 1.00 31.12 H new ATOM 0 HH TYR A 51 -16.458 15.304 -22.015 1.00 54.33 H new ATOM 485 N ALA A 52 -18.024 19.220 -15.069 1.00 31.14 N ATOM 486 CA ALA A 52 -17.409 20.538 -14.975 1.00 14.21 C ATOM 487 C ALA A 52 -16.135 20.492 -14.139 1.00 31.44 C ATOM 488 O ALA A 52 -15.071 20.924 -14.585 1.00 34.24 O ATOM 489 CB ALA A 52 -18.393 21.539 -14.386 1.00 71.42 C ATOM 0 H ALA A 52 -19.015 19.199 -14.828 1.00 31.14 H new ATOM 0 HA ALA A 52 -17.140 20.858 -15.982 1.00 14.21 H new ATOM 0 HB1 ALA A 52 -17.920 22.519 -14.322 1.00 71.42 H new ATOM 0 HB2 ALA A 52 -19.274 21.602 -15.025 1.00 71.42 H new ATOM 0 HB3 ALA A 52 -18.690 21.213 -13.389 1.00 71.42 H new ATOM 495 N LEU A 53 -16.249 19.966 -12.924 1.00 72.20 N ATOM 496 CA LEU A 53 -15.106 19.863 -12.024 1.00 44.42 C ATOM 497 C LEU A 53 -14.029 18.957 -12.613 1.00 1.51 C ATOM 498 O LEU A 53 -12.841 19.276 -12.565 1.00 12.04 O ATOM 499 CB LEU A 53 -15.550 19.328 -10.662 1.00 21.21 C ATOM 500 CG LEU A 53 -16.730 20.049 -10.010 1.00 32.33 C ATOM 501 CD1 LEU A 53 -17.194 19.300 -8.770 1.00 0.01 C ATOM 502 CD2 LEU A 53 -16.353 21.481 -9.660 1.00 71.02 C ATOM 0 H LEU A 53 -17.122 19.604 -12.540 1.00 72.20 H new ATOM 0 HA LEU A 53 -14.685 20.860 -11.896 1.00 44.42 H new ATOM 0 HB2 LEU A 53 -15.810 18.276 -10.775 1.00 21.21 H new ATOM 0 HB3 LEU A 53 -14.700 19.375 -9.981 1.00 21.21 H new ATOM 0 HG LEU A 53 -17.554 20.075 -10.723 1.00 32.33 H new ATOM 0 HD11 LEU A 53 -18.034 19.828 -8.319 1.00 0.01 H new ATOM 0 HD12 LEU A 53 -17.505 18.293 -9.048 1.00 0.01 H new ATOM 0 HD13 LEU A 53 -16.375 19.242 -8.053 1.00 0.01 H new ATOM 0 HD21 LEU A 53 -17.205 21.979 -9.197 1.00 71.02 H new ATOM 0 HD22 LEU A 53 -15.513 21.477 -8.965 1.00 71.02 H new ATOM 0 HD23 LEU A 53 -16.070 22.015 -10.567 1.00 71.02 H new ATOM 514 N ALA A 54 -14.453 17.828 -13.170 1.00 40.03 N ATOM 515 CA ALA A 54 -13.526 16.878 -13.772 1.00 43.15 C ATOM 516 C ALA A 54 -12.689 17.542 -14.861 1.00 10.34 C ATOM 517 O ALA A 54 -11.460 17.487 -14.832 1.00 63.34 O ATOM 518 CB ALA A 54 -14.284 15.688 -14.340 1.00 73.40 C ATOM 0 H ALA A 54 -15.433 17.549 -13.217 1.00 40.03 H new ATOM 0 HA ALA A 54 -12.849 16.526 -12.993 1.00 43.15 H new ATOM 0 HB1 ALA A 54 -13.579 14.987 -14.786 1.00 73.40 H new ATOM 0 HB2 ALA A 54 -14.833 15.191 -13.540 1.00 73.40 H new ATOM 0 HB3 ALA A 54 -14.984 16.032 -15.101 1.00 73.40 H new ATOM 524 N SER A 55 -13.363 18.170 -15.819 1.00 73.30 N ATOM 525 CA SER A 55 -12.681 18.841 -16.920 1.00 35.25 C ATOM 526 C SER A 55 -11.705 19.889 -16.395 1.00 64.20 C ATOM 527 O SER A 55 -10.675 20.159 -17.014 1.00 34.11 O ATOM 528 CB SER A 55 -13.700 19.498 -17.853 1.00 43.31 C ATOM 529 OG SER A 55 -13.104 20.542 -18.604 1.00 23.02 O ATOM 0 H SER A 55 -14.381 18.228 -15.855 1.00 73.30 H new ATOM 0 HA SER A 55 -12.118 18.093 -17.478 1.00 35.25 H new ATOM 0 HB2 SER A 55 -14.114 18.750 -18.529 1.00 43.31 H new ATOM 0 HB3 SER A 55 -14.530 19.894 -17.269 1.00 43.31 H new ATOM 0 HG SER A 55 -13.775 20.945 -19.194 1.00 23.02 H new ATOM 535 N SER A 56 -12.035 20.476 -15.249 1.00 55.24 N ATOM 536 CA SER A 56 -11.190 21.498 -14.642 1.00 74.42 C ATOM 537 C SER A 56 -9.797 20.948 -14.353 1.00 44.44 C ATOM 538 O SER A 56 -8.835 21.705 -14.223 1.00 11.34 O ATOM 539 CB SER A 56 -11.826 22.013 -13.349 1.00 62.14 C ATOM 540 OG SER A 56 -11.612 23.405 -13.196 1.00 14.40 O ATOM 0 H SER A 56 -12.882 20.261 -14.722 1.00 55.24 H new ATOM 0 HA SER A 56 -11.097 22.324 -15.347 1.00 74.42 H new ATOM 0 HB2 SER A 56 -12.896 21.805 -13.358 1.00 62.14 H new ATOM 0 HB3 SER A 56 -11.405 21.481 -12.496 1.00 62.14 H new ATOM 0 HG SER A 56 -12.029 23.711 -12.364 1.00 14.40 H new ATOM 546 N GLN A 57 -9.697 19.627 -14.255 1.00 61.45 N ATOM 547 CA GLN A 57 -8.421 18.975 -13.981 1.00 54.55 C ATOM 548 C GLN A 57 -7.961 18.154 -15.181 1.00 43.01 C ATOM 549 O GLN A 57 -7.051 18.553 -15.907 1.00 12.10 O ATOM 550 CB GLN A 57 -8.537 18.078 -12.748 1.00 54.11 C ATOM 551 CG GLN A 57 -8.766 18.846 -11.456 1.00 41.13 C ATOM 552 CD GLN A 57 -7.472 19.298 -10.809 1.00 65.13 C ATOM 553 OE1 GLN A 57 -6.547 18.364 -10.620 1.00 14.40 O flip ATOM 554 NE2 GLN A 57 -7.304 20.473 -10.483 1.00 4.12 N flip ATOM 0 H GLN A 57 -10.484 18.987 -14.361 1.00 61.45 H new ATOM 0 HA GLN A 57 -7.679 19.750 -13.789 1.00 54.55 H new ATOM 0 HB2 GLN A 57 -9.359 17.377 -12.895 1.00 54.11 H new ATOM 0 HB3 GLN A 57 -7.627 17.486 -12.653 1.00 54.11 H new ATOM 0 HG2 GLN A 57 -9.389 19.717 -11.661 1.00 41.13 H new ATOM 0 HG3 GLN A 57 -9.317 18.217 -10.757 1.00 41.13 H new ATOM 0 HE21 GLN A 57 -8.042 21.158 -10.647 1.00 4.12 H new ATOM 0 HE22 GLN A 57 -6.427 20.762 -10.049 1.00 4.12 H new ATOM 563 N GLY A 58 -8.595 17.003 -15.383 1.00 53.10 N ATOM 564 CA GLY A 58 -8.236 16.143 -16.496 1.00 11.34 C ATOM 565 C GLY A 58 -9.385 15.935 -17.462 1.00 52.31 C ATOM 566 O GLY A 58 -10.498 16.405 -17.224 1.00 41.55 O ATOM 0 H GLY A 58 -9.351 16.651 -14.796 1.00 53.10 H new ATOM 0 HA2 GLY A 58 -7.391 16.578 -17.030 1.00 11.34 H new ATOM 0 HA3 GLY A 58 -7.908 15.177 -16.113 1.00 11.34 H new ATOM 570 N ASP A 59 -9.116 15.231 -18.556 1.00 31.45 N ATOM 571 CA ASP A 59 -10.136 14.962 -19.562 1.00 73.13 C ATOM 572 C ASP A 59 -11.023 13.795 -19.139 1.00 71.12 C ATOM 573 O ASP A 59 -10.552 12.835 -18.529 1.00 34.33 O ATOM 574 CB ASP A 59 -9.484 14.660 -20.912 1.00 60.42 C ATOM 575 CG ASP A 59 -10.083 15.476 -22.040 1.00 43.44 C ATOM 576 OD1 ASP A 59 -9.674 16.645 -22.209 1.00 61.55 O ATOM 577 OD2 ASP A 59 -10.959 14.947 -22.755 1.00 14.42 O ATOM 0 H ASP A 59 -8.200 14.836 -18.769 1.00 31.45 H new ATOM 0 HA ASP A 59 -10.759 15.851 -19.659 1.00 73.13 H new ATOM 0 HB2 ASP A 59 -8.415 14.863 -20.849 1.00 60.42 H new ATOM 0 HB3 ASP A 59 -9.595 13.599 -21.136 1.00 60.42 H new ATOM 582 N ILE A 60 -12.308 13.886 -19.467 1.00 24.43 N ATOM 583 CA ILE A 60 -13.260 12.837 -19.121 1.00 5.45 C ATOM 584 C ILE A 60 -13.663 12.033 -20.351 1.00 60.24 C ATOM 585 O ILE A 60 -13.960 12.597 -21.405 1.00 72.24 O ATOM 586 CB ILE A 60 -14.525 13.421 -18.465 1.00 32.42 C ATOM 587 CG1 ILE A 60 -14.151 14.261 -17.242 1.00 55.32 C ATOM 588 CG2 ILE A 60 -15.482 12.304 -18.074 1.00 62.12 C ATOM 589 CD1 ILE A 60 -14.064 15.743 -17.532 1.00 5.30 C ATOM 0 H ILE A 60 -12.713 14.674 -19.971 1.00 24.43 H new ATOM 0 HA ILE A 60 -12.761 12.180 -18.409 1.00 5.45 H new ATOM 0 HB ILE A 60 -15.025 14.067 -19.187 1.00 32.42 H new ATOM 0 HG12 ILE A 60 -14.889 14.095 -16.457 1.00 55.32 H new ATOM 0 HG13 ILE A 60 -13.192 13.918 -16.855 1.00 55.32 H new ATOM 0 HG21 ILE A 60 -16.371 12.732 -17.612 1.00 62.12 H new ATOM 0 HG22 ILE A 60 -15.770 11.743 -18.963 1.00 62.12 H new ATOM 0 HG23 ILE A 60 -14.991 11.635 -17.367 1.00 62.12 H new ATOM 0 HD11 ILE A 60 -13.795 16.277 -16.621 1.00 5.30 H new ATOM 0 HD12 ILE A 60 -13.305 15.921 -18.294 1.00 5.30 H new ATOM 0 HD13 ILE A 60 -15.029 16.101 -17.891 1.00 5.30 H new ATOM 601 N LEU A 61 -13.673 10.712 -20.211 1.00 30.13 N ATOM 602 CA LEU A 61 -14.042 9.828 -21.311 1.00 13.01 C ATOM 603 C LEU A 61 -15.474 9.327 -21.150 1.00 0.10 C ATOM 604 O LEU A 61 -16.125 8.954 -22.126 1.00 12.20 O ATOM 605 CB LEU A 61 -13.080 8.641 -21.383 1.00 3.42 C ATOM 606 CG LEU A 61 -11.609 8.952 -21.101 1.00 72.20 C ATOM 607 CD1 LEU A 61 -10.747 7.725 -21.355 1.00 4.40 C ATOM 608 CD2 LEU A 61 -11.139 10.123 -21.952 1.00 22.52 C ATOM 0 H LEU A 61 -13.430 10.229 -19.346 1.00 30.13 H new ATOM 0 HA LEU A 61 -13.977 10.397 -22.239 1.00 13.01 H new ATOM 0 HB2 LEU A 61 -13.414 7.885 -20.672 1.00 3.42 H new ATOM 0 HB3 LEU A 61 -13.153 8.199 -22.377 1.00 3.42 H new ATOM 0 HG LEU A 61 -11.510 9.229 -20.052 1.00 72.20 H new ATOM 0 HD11 LEU A 61 -9.704 7.964 -21.149 1.00 4.40 H new ATOM 0 HD12 LEU A 61 -11.068 6.913 -20.703 1.00 4.40 H new ATOM 0 HD13 LEU A 61 -10.850 7.417 -22.395 1.00 4.40 H new ATOM 0 HD21 LEU A 61 -10.090 10.330 -21.738 1.00 22.52 H new ATOM 0 HD22 LEU A 61 -11.252 9.874 -23.007 1.00 22.52 H new ATOM 0 HD23 LEU A 61 -11.737 11.004 -21.721 1.00 22.52 H new ATOM 620 N ASP A 62 -15.958 9.323 -19.913 1.00 13.40 N ATOM 621 CA ASP A 62 -17.314 8.872 -19.624 1.00 75.32 C ATOM 622 C ASP A 62 -17.617 8.978 -18.133 1.00 3.33 C ATOM 623 O ASP A 62 -16.903 8.414 -17.303 1.00 44.41 O ATOM 624 CB ASP A 62 -17.505 7.429 -20.094 1.00 31.30 C ATOM 625 CG ASP A 62 -18.754 6.792 -19.516 1.00 62.04 C ATOM 626 OD1 ASP A 62 -19.863 7.270 -19.833 1.00 33.45 O ATOM 627 OD2 ASP A 62 -18.622 5.817 -18.747 1.00 64.55 O ATOM 0 H ASP A 62 -15.431 9.627 -19.094 1.00 13.40 H new ATOM 0 HA ASP A 62 -18.007 9.517 -20.164 1.00 75.32 H new ATOM 0 HB2 ASP A 62 -17.561 7.409 -21.182 1.00 31.30 H new ATOM 0 HB3 ASP A 62 -16.634 6.839 -19.809 1.00 31.30 H new ATOM 632 N ILE A 63 -18.678 9.705 -17.800 1.00 2.41 N ATOM 633 CA ILE A 63 -19.074 9.886 -16.409 1.00 22.43 C ATOM 634 C ILE A 63 -20.274 9.012 -16.061 1.00 72.42 C ATOM 635 O ILE A 63 -21.386 9.248 -16.535 1.00 63.31 O ATOM 636 CB ILE A 63 -19.419 11.356 -16.108 1.00 33.14 C ATOM 637 CG1 ILE A 63 -18.230 12.260 -16.438 1.00 23.13 C ATOM 638 CG2 ILE A 63 -19.826 11.517 -14.650 1.00 65.14 C ATOM 639 CD1 ILE A 63 -18.477 13.720 -16.131 1.00 54.44 C ATOM 0 H ILE A 63 -19.279 10.178 -18.475 1.00 2.41 H new ATOM 0 HA ILE A 63 -18.222 9.589 -15.797 1.00 22.43 H new ATOM 0 HB ILE A 63 -20.260 11.652 -16.735 1.00 33.14 H new ATOM 0 HG12 ILE A 63 -17.360 11.921 -15.876 1.00 23.13 H new ATOM 0 HG13 ILE A 63 -17.987 12.156 -17.495 1.00 23.13 H new ATOM 0 HG21 ILE A 63 -20.067 12.562 -14.453 1.00 65.14 H new ATOM 0 HG22 ILE A 63 -20.700 10.898 -14.446 1.00 65.14 H new ATOM 0 HG23 ILE A 63 -19.003 11.207 -14.006 1.00 65.14 H new ATOM 0 HD11 ILE A 63 -17.592 14.301 -16.390 1.00 54.44 H new ATOM 0 HD12 ILE A 63 -19.327 14.075 -16.713 1.00 54.44 H new ATOM 0 HD13 ILE A 63 -18.690 13.837 -15.068 1.00 54.44 H new ATOM 651 N VAL A 64 -20.043 8.001 -15.229 1.00 3.42 N ATOM 652 CA VAL A 64 -21.105 7.093 -14.815 1.00 14.24 C ATOM 653 C VAL A 64 -21.690 7.509 -13.470 1.00 34.05 C ATOM 654 O VAL A 64 -20.974 7.989 -12.590 1.00 74.34 O ATOM 655 CB VAL A 64 -20.597 5.643 -14.715 1.00 22.25 C ATOM 656 CG1 VAL A 64 -21.711 4.717 -14.251 1.00 21.12 C ATOM 657 CG2 VAL A 64 -20.032 5.183 -16.050 1.00 41.42 C ATOM 0 H VAL A 64 -19.129 7.791 -14.829 1.00 3.42 H new ATOM 0 HA VAL A 64 -21.882 7.146 -15.578 1.00 14.24 H new ATOM 0 HB VAL A 64 -19.797 5.608 -13.976 1.00 22.25 H new ATOM 0 HG11 VAL A 64 -21.333 3.697 -14.186 1.00 21.12 H new ATOM 0 HG12 VAL A 64 -22.064 5.036 -13.270 1.00 21.12 H new ATOM 0 HG13 VAL A 64 -22.535 4.754 -14.963 1.00 21.12 H new ATOM 0 HG21 VAL A 64 -19.678 4.156 -15.961 1.00 41.42 H new ATOM 0 HG22 VAL A 64 -20.810 5.233 -16.811 1.00 41.42 H new ATOM 0 HG23 VAL A 64 -19.202 5.829 -16.336 1.00 41.42 H new ATOM 667 N VAL A 65 -22.997 7.321 -13.315 1.00 53.23 N ATOM 668 CA VAL A 65 -23.680 7.675 -12.076 1.00 44.14 C ATOM 669 C VAL A 65 -24.715 6.621 -11.699 1.00 5.44 C ATOM 670 O VAL A 65 -25.491 6.170 -12.540 1.00 75.12 O ATOM 671 CB VAL A 65 -24.375 9.045 -12.190 1.00 72.42 C ATOM 672 CG1 VAL A 65 -24.918 9.482 -10.838 1.00 72.22 C ATOM 673 CG2 VAL A 65 -23.416 10.084 -12.750 1.00 51.02 C ATOM 0 H VAL A 65 -23.604 6.925 -14.033 1.00 53.23 H new ATOM 0 HA VAL A 65 -22.919 7.726 -11.298 1.00 44.14 H new ATOM 0 HB VAL A 65 -25.215 8.951 -12.879 1.00 72.42 H new ATOM 0 HG11 VAL A 65 -25.405 10.452 -10.938 1.00 72.22 H new ATOM 0 HG12 VAL A 65 -25.640 8.748 -10.481 1.00 72.22 H new ATOM 0 HG13 VAL A 65 -24.098 9.560 -10.124 1.00 72.22 H new ATOM 0 HG21 VAL A 65 -23.924 11.046 -12.824 1.00 51.02 H new ATOM 0 HG22 VAL A 65 -22.555 10.178 -12.089 1.00 51.02 H new ATOM 0 HG23 VAL A 65 -23.081 9.774 -13.740 1.00 51.02 H new ATOM 683 N ASP A 66 -24.720 6.234 -10.428 1.00 4.11 N ATOM 684 CA ASP A 66 -25.661 5.234 -9.937 1.00 64.02 C ATOM 685 C ASP A 66 -27.099 5.720 -10.089 1.00 64.03 C ATOM 686 O ASP A 66 -27.369 6.672 -10.823 1.00 73.41 O ATOM 687 CB ASP A 66 -25.372 4.907 -8.471 1.00 50.22 C ATOM 688 CG ASP A 66 -25.455 3.421 -8.182 1.00 51.30 C ATOM 689 OD1 ASP A 66 -24.954 2.627 -9.006 1.00 13.21 O ATOM 690 OD2 ASP A 66 -26.020 3.052 -7.131 1.00 52.45 O ATOM 0 H ASP A 66 -24.083 6.598 -9.719 1.00 4.11 H new ATOM 0 HA ASP A 66 -25.537 4.330 -10.534 1.00 64.02 H new ATOM 0 HB2 ASP A 66 -24.378 5.270 -8.210 1.00 50.22 H new ATOM 0 HB3 ASP A 66 -26.082 5.438 -7.837 1.00 50.22 H new ATOM 695 N LEU A 67 -28.017 5.060 -9.393 1.00 14.33 N ATOM 696 CA LEU A 67 -29.429 5.424 -9.451 1.00 1.13 C ATOM 697 C LEU A 67 -29.784 6.408 -8.340 1.00 62.42 C ATOM 698 O LEU A 67 -30.956 6.596 -8.015 1.00 71.14 O ATOM 699 CB LEU A 67 -30.303 4.174 -9.339 1.00 31.10 C ATOM 700 CG LEU A 67 -29.916 3.180 -8.244 1.00 23.42 C ATOM 701 CD1 LEU A 67 -28.805 2.260 -8.726 1.00 44.14 C ATOM 702 CD2 LEU A 67 -29.491 3.916 -6.981 1.00 61.54 C ATOM 0 H LEU A 67 -27.810 4.270 -8.782 1.00 14.33 H new ATOM 0 HA LEU A 67 -29.616 5.906 -10.411 1.00 1.13 H new ATOM 0 HB2 LEU A 67 -31.332 4.489 -9.168 1.00 31.10 H new ATOM 0 HB3 LEU A 67 -30.283 3.654 -10.297 1.00 31.10 H new ATOM 0 HG LEU A 67 -30.788 2.570 -8.009 1.00 23.42 H new ATOM 0 HD11 LEU A 67 -28.543 1.560 -7.933 1.00 44.14 H new ATOM 0 HD12 LEU A 67 -29.145 1.707 -9.601 1.00 44.14 H new ATOM 0 HD13 LEU A 67 -27.930 2.854 -8.990 1.00 44.14 H new ATOM 0 HD21 LEU A 67 -29.219 3.193 -6.212 1.00 61.54 H new ATOM 0 HD22 LEU A 67 -28.633 4.551 -7.201 1.00 61.54 H new ATOM 0 HD23 LEU A 67 -30.316 4.532 -6.624 1.00 61.54 H new ATOM 714 N SER A 68 -28.763 7.034 -7.763 1.00 34.22 N ATOM 715 CA SER A 68 -28.967 7.997 -6.687 1.00 53.35 C ATOM 716 C SER A 68 -29.857 7.412 -5.595 1.00 24.32 C ATOM 717 O SER A 68 -30.940 7.927 -5.318 1.00 41.21 O ATOM 718 CB SER A 68 -29.593 9.281 -7.236 1.00 43.23 C ATOM 719 OG SER A 68 -29.128 9.555 -8.547 1.00 1.24 O ATOM 0 H SER A 68 -27.787 6.892 -8.022 1.00 34.22 H new ATOM 0 HA SER A 68 -27.995 8.231 -6.253 1.00 53.35 H new ATOM 0 HB2 SER A 68 -30.679 9.185 -7.244 1.00 43.23 H new ATOM 0 HB3 SER A 68 -29.352 10.117 -6.579 1.00 43.23 H new ATOM 0 HG SER A 68 -29.544 10.379 -8.876 1.00 1.24 H new ATOM 725 N ASP A 69 -29.391 6.332 -4.977 1.00 63.35 N ATOM 726 CA ASP A 69 -30.142 5.675 -3.914 1.00 10.10 C ATOM 727 C ASP A 69 -30.048 6.467 -2.613 1.00 60.05 C ATOM 728 O ASP A 69 -29.022 7.082 -2.323 1.00 10.15 O ATOM 729 CB ASP A 69 -29.624 4.252 -3.698 1.00 1.31 C ATOM 730 CG ASP A 69 -30.655 3.200 -4.056 1.00 11.14 C ATOM 731 OD1 ASP A 69 -31.497 3.471 -4.937 1.00 61.42 O ATOM 732 OD2 ASP A 69 -30.621 2.106 -3.453 1.00 42.44 O ATOM 0 H ASP A 69 -28.496 5.893 -5.194 1.00 63.35 H new ATOM 0 HA ASP A 69 -31.188 5.630 -4.216 1.00 10.10 H new ATOM 0 HB2 ASP A 69 -28.729 4.099 -4.301 1.00 1.31 H new ATOM 0 HB3 ASP A 69 -29.331 4.129 -2.655 1.00 1.31 H new ATOM 737 N ASP A 70 -31.125 6.448 -1.836 1.00 60.21 N ATOM 738 CA ASP A 70 -31.164 7.164 -0.566 1.00 73.13 C ATOM 739 C ASP A 70 -30.311 6.457 0.483 1.00 54.43 C ATOM 740 O ASP A 70 -30.097 6.979 1.576 1.00 64.10 O ATOM 741 CB ASP A 70 -32.606 7.288 -0.071 1.00 21.34 C ATOM 742 CG ASP A 70 -32.826 8.533 0.765 1.00 3.15 C ATOM 743 OD1 ASP A 70 -32.644 9.647 0.230 1.00 2.15 O ATOM 744 OD2 ASP A 70 -33.180 8.394 1.954 1.00 34.05 O ATOM 0 H ASP A 70 -31.983 5.945 -2.063 1.00 60.21 H new ATOM 0 HA ASP A 70 -30.756 8.162 -0.726 1.00 73.13 H new ATOM 0 HB2 ASP A 70 -33.281 7.305 -0.927 1.00 21.34 H new ATOM 0 HB3 ASP A 70 -32.861 6.408 0.519 1.00 21.34 H new ATOM 749 N ASN A 71 -29.829 5.267 0.142 1.00 61.23 N ATOM 750 CA ASN A 71 -29.001 4.488 1.055 1.00 62.40 C ATOM 751 C ASN A 71 -27.621 4.234 0.456 1.00 60.53 C ATOM 752 O ASN A 71 -26.718 3.747 1.136 1.00 45.04 O ATOM 753 CB ASN A 71 -29.680 3.156 1.382 1.00 1.24 C ATOM 754 CG ASN A 71 -29.760 2.900 2.875 1.00 74.00 C ATOM 755 OD1 ASN A 71 -28.745 2.675 3.533 1.00 24.21 O ATOM 756 ND2 ASN A 71 -30.973 2.933 3.416 1.00 24.02 N ATOM 0 H ASN A 71 -29.997 4.821 -0.760 1.00 61.23 H new ATOM 0 HA ASN A 71 -28.879 5.062 1.974 1.00 62.40 H new ATOM 0 HB2 ASN A 71 -30.685 3.150 0.961 1.00 1.24 H new ATOM 0 HB3 ASN A 71 -29.130 2.344 0.906 1.00 1.24 H new ATOM 0 HD21 ASN A 71 -31.090 2.768 4.416 1.00 24.02 H new ATOM 0 HD22 ASN A 71 -31.787 3.124 2.832 1.00 24.02 H new ATOM 763 N SER A 72 -27.466 4.567 -0.822 1.00 31.13 N ATOM 764 CA SER A 72 -26.198 4.372 -1.514 1.00 44.21 C ATOM 765 C SER A 72 -25.638 5.703 -2.007 1.00 50.13 C ATOM 766 O SER A 72 -24.666 6.222 -1.460 1.00 20.30 O ATOM 767 CB SER A 72 -26.378 3.414 -2.693 1.00 24.53 C ATOM 768 OG SER A 72 -25.673 2.203 -2.478 1.00 0.02 O ATOM 0 H SER A 72 -28.203 4.973 -1.399 1.00 31.13 H new ATOM 0 HA SER A 72 -25.490 3.939 -0.808 1.00 44.21 H new ATOM 0 HB2 SER A 72 -27.438 3.201 -2.835 1.00 24.53 H new ATOM 0 HB3 SER A 72 -26.023 3.888 -3.608 1.00 24.53 H new ATOM 0 HG SER A 72 -25.805 1.607 -3.245 1.00 0.02 H new ATOM 774 N GLY A 73 -26.260 6.251 -3.047 1.00 34.01 N ATOM 775 CA GLY A 73 -25.811 7.516 -3.598 1.00 14.34 C ATOM 776 C GLY A 73 -24.328 7.520 -3.907 1.00 44.11 C ATOM 777 O GLY A 73 -23.510 7.887 -3.063 1.00 12.43 O ATOM 0 H GLY A 73 -27.067 5.841 -3.517 1.00 34.01 H new ATOM 0 HA2 GLY A 73 -26.369 7.730 -4.509 1.00 14.34 H new ATOM 0 HA3 GLY A 73 -26.034 8.316 -2.892 1.00 14.34 H new ATOM 781 N LYS A 74 -23.977 7.109 -5.121 1.00 21.32 N ATOM 782 CA LYS A 74 -22.581 7.065 -5.541 1.00 13.10 C ATOM 783 C LYS A 74 -22.459 7.290 -7.045 1.00 5.34 C ATOM 784 O LYS A 74 -23.461 7.406 -7.748 1.00 74.33 O ATOM 785 CB LYS A 74 -21.955 5.721 -5.163 1.00 32.20 C ATOM 786 CG LYS A 74 -22.539 4.543 -5.923 1.00 70.34 C ATOM 787 CD LYS A 74 -22.963 3.427 -4.983 1.00 65.32 C ATOM 788 CE LYS A 74 -22.501 2.068 -5.487 1.00 64.01 C ATOM 789 NZ LYS A 74 -22.953 0.963 -4.597 1.00 52.21 N ATOM 0 H LYS A 74 -24.641 6.801 -5.832 1.00 21.32 H new ATOM 0 HA LYS A 74 -22.047 7.864 -5.027 1.00 13.10 H new ATOM 0 HB2 LYS A 74 -20.882 5.765 -5.347 1.00 32.20 H new ATOM 0 HB3 LYS A 74 -22.089 5.555 -4.094 1.00 32.20 H new ATOM 0 HG2 LYS A 74 -23.398 4.875 -6.506 1.00 70.34 H new ATOM 0 HG3 LYS A 74 -21.801 4.164 -6.630 1.00 70.34 H new ATOM 0 HD2 LYS A 74 -22.549 3.608 -3.991 1.00 65.32 H new ATOM 0 HD3 LYS A 74 -24.048 3.429 -4.881 1.00 65.32 H new ATOM 0 HE2 LYS A 74 -22.886 1.904 -6.494 1.00 64.01 H new ATOM 0 HE3 LYS A 74 -21.413 2.057 -5.556 1.00 64.01 H new ATOM 0 HZ1 LYS A 74 -22.618 0.054 -4.975 1.00 52.21 H new ATOM 0 HZ2 LYS A 74 -22.565 1.105 -3.643 1.00 52.21 H new ATOM 0 HZ3 LYS A 74 -23.992 0.957 -4.551 1.00 52.21 H new ATOM 803 N ALA A 75 -21.223 7.350 -7.530 1.00 41.24 N ATOM 804 CA ALA A 75 -20.970 7.558 -8.951 1.00 22.32 C ATOM 805 C ALA A 75 -19.518 7.249 -9.300 1.00 41.44 C ATOM 806 O ALA A 75 -18.707 6.955 -8.422 1.00 62.22 O ATOM 807 CB ALA A 75 -21.318 8.985 -9.346 1.00 12.11 C ATOM 0 H ALA A 75 -20.382 7.258 -6.961 1.00 41.24 H new ATOM 0 HA ALA A 75 -21.605 6.873 -9.512 1.00 22.32 H new ATOM 0 HB1 ALA A 75 -21.124 9.126 -10.409 1.00 12.11 H new ATOM 0 HB2 ALA A 75 -22.372 9.172 -9.141 1.00 12.11 H new ATOM 0 HB3 ALA A 75 -20.707 9.681 -8.771 1.00 12.11 H new ATOM 813 N TYR A 76 -19.197 7.318 -10.588 1.00 1.45 N ATOM 814 CA TYR A 76 -17.843 7.043 -11.053 1.00 41.34 C ATOM 815 C TYR A 76 -17.483 7.934 -12.239 1.00 33.40 C ATOM 816 O TYR A 76 -18.216 7.996 -13.227 1.00 4.00 O ATOM 817 CB TYR A 76 -17.705 5.571 -11.446 1.00 53.53 C ATOM 818 CG TYR A 76 -18.564 4.641 -10.620 1.00 12.33 C ATOM 819 CD1 TYR A 76 -19.888 4.397 -10.963 1.00 52.20 C ATOM 820 CD2 TYR A 76 -18.051 4.006 -9.496 1.00 31.53 C ATOM 821 CE1 TYR A 76 -20.677 3.549 -10.210 1.00 65.22 C ATOM 822 CE2 TYR A 76 -18.832 3.154 -8.738 1.00 2.32 C ATOM 823 CZ TYR A 76 -20.144 2.930 -9.099 1.00 21.52 C ATOM 824 OH TYR A 76 -20.926 2.082 -8.347 1.00 44.50 O ATOM 0 H TYR A 76 -19.856 7.562 -11.327 1.00 1.45 H new ATOM 0 HA TYR A 76 -17.154 7.260 -10.236 1.00 41.34 H new ATOM 0 HB2 TYR A 76 -17.969 5.458 -12.497 1.00 53.53 H new ATOM 0 HB3 TYR A 76 -16.661 5.273 -11.346 1.00 53.53 H new ATOM 0 HD1 TYR A 76 -20.308 4.879 -11.834 1.00 52.20 H new ATOM 0 HD2 TYR A 76 -17.024 4.181 -9.210 1.00 31.53 H new ATOM 0 HE1 TYR A 76 -21.705 3.372 -10.490 1.00 65.22 H new ATOM 0 HE2 TYR A 76 -18.417 2.667 -7.868 1.00 2.32 H new ATOM 0 HH TYR A 76 -20.400 1.728 -7.600 1.00 44.50 H new ATOM 834 N ILE A 77 -16.351 8.620 -12.133 1.00 24.02 N ATOM 835 CA ILE A 77 -15.892 9.505 -13.196 1.00 10.40 C ATOM 836 C ILE A 77 -14.681 8.921 -13.914 1.00 64.42 C ATOM 837 O ILE A 77 -13.595 8.819 -13.342 1.00 34.30 O ATOM 838 CB ILE A 77 -15.528 10.899 -12.650 1.00 62.23 C ATOM 839 CG1 ILE A 77 -16.648 11.427 -11.751 1.00 43.14 C ATOM 840 CG2 ILE A 77 -15.261 11.863 -13.796 1.00 55.42 C ATOM 841 CD1 ILE A 77 -16.371 12.803 -11.186 1.00 63.33 C ATOM 0 H ILE A 77 -15.734 8.580 -11.322 1.00 24.02 H new ATOM 0 HA ILE A 77 -16.717 9.604 -13.902 1.00 10.40 H new ATOM 0 HB ILE A 77 -14.619 10.814 -12.054 1.00 62.23 H new ATOM 0 HG12 ILE A 77 -17.577 11.457 -12.321 1.00 43.14 H new ATOM 0 HG13 ILE A 77 -16.802 10.729 -10.928 1.00 43.14 H new ATOM 0 HG21 ILE A 77 -15.005 12.844 -13.395 1.00 55.42 H new ATOM 0 HG22 ILE A 77 -14.433 11.491 -14.399 1.00 55.42 H new ATOM 0 HG23 ILE A 77 -16.153 11.947 -14.417 1.00 55.42 H new ATOM 0 HD11 ILE A 77 -17.207 13.114 -10.559 1.00 63.33 H new ATOM 0 HD12 ILE A 77 -15.460 12.774 -10.589 1.00 63.33 H new ATOM 0 HD13 ILE A 77 -16.247 13.514 -12.003 1.00 63.33 H new ATOM 853 N VAL A 78 -14.873 8.539 -15.173 1.00 31.31 N ATOM 854 CA VAL A 78 -13.796 7.967 -15.971 1.00 63.45 C ATOM 855 C VAL A 78 -12.966 9.058 -16.638 1.00 12.42 C ATOM 856 O VAL A 78 -13.500 9.918 -17.340 1.00 30.43 O ATOM 857 CB VAL A 78 -14.343 7.019 -17.056 1.00 1.24 C ATOM 858 CG1 VAL A 78 -13.210 6.240 -17.705 1.00 63.50 C ATOM 859 CG2 VAL A 78 -15.380 6.076 -16.464 1.00 63.04 C ATOM 0 H VAL A 78 -15.765 8.616 -15.662 1.00 31.31 H new ATOM 0 HA VAL A 78 -13.164 7.400 -15.288 1.00 63.45 H new ATOM 0 HB VAL A 78 -14.828 7.618 -17.827 1.00 1.24 H new ATOM 0 HG11 VAL A 78 -13.616 5.576 -18.468 1.00 63.50 H new ATOM 0 HG12 VAL A 78 -12.507 6.935 -18.165 1.00 63.50 H new ATOM 0 HG13 VAL A 78 -12.694 5.650 -16.948 1.00 63.50 H new ATOM 0 HG21 VAL A 78 -15.756 5.413 -17.243 1.00 63.04 H new ATOM 0 HG22 VAL A 78 -14.922 5.482 -15.673 1.00 63.04 H new ATOM 0 HG23 VAL A 78 -16.205 6.656 -16.051 1.00 63.04 H new ATOM 869 N PHE A 79 -11.657 9.019 -16.414 1.00 21.13 N ATOM 870 CA PHE A 79 -10.752 10.005 -16.992 1.00 51.51 C ATOM 871 C PHE A 79 -9.891 9.379 -18.085 1.00 51.00 C ATOM 872 O PHE A 79 -9.984 8.182 -18.353 1.00 61.41 O ATOM 873 CB PHE A 79 -9.859 10.608 -15.906 1.00 3.11 C ATOM 874 CG PHE A 79 -10.566 11.606 -15.034 1.00 25.13 C ATOM 875 CD1 PHE A 79 -10.619 12.943 -15.392 1.00 14.33 C ATOM 876 CD2 PHE A 79 -11.176 11.206 -13.856 1.00 4.55 C ATOM 877 CE1 PHE A 79 -11.269 13.864 -14.592 1.00 13.25 C ATOM 878 CE2 PHE A 79 -11.827 12.123 -13.052 1.00 33.43 C ATOM 879 CZ PHE A 79 -11.873 13.453 -13.419 1.00 52.24 C ATOM 0 H PHE A 79 -11.199 8.315 -15.836 1.00 21.13 H new ATOM 0 HA PHE A 79 -11.355 10.796 -17.438 1.00 51.51 H new ATOM 0 HB2 PHE A 79 -9.467 9.805 -15.282 1.00 3.11 H new ATOM 0 HB3 PHE A 79 -9.003 11.091 -16.377 1.00 3.11 H new ATOM 0 HD1 PHE A 79 -10.147 13.270 -16.307 1.00 14.33 H new ATOM 0 HD2 PHE A 79 -11.143 10.167 -13.563 1.00 4.55 H new ATOM 0 HE1 PHE A 79 -11.305 14.903 -14.883 1.00 13.25 H new ATOM 0 HE2 PHE A 79 -12.300 11.799 -12.137 1.00 33.43 H new ATOM 0 HZ PHE A 79 -12.380 14.171 -12.791 1.00 52.24 H new ATOM 889 N ALA A 80 -9.054 10.198 -18.713 1.00 1.32 N ATOM 890 CA ALA A 80 -8.175 9.725 -19.775 1.00 52.43 C ATOM 891 C ALA A 80 -7.169 8.710 -19.244 1.00 72.24 C ATOM 892 O ALA A 80 -6.919 7.681 -19.873 1.00 20.42 O ATOM 893 CB ALA A 80 -7.453 10.897 -20.424 1.00 1.25 C ATOM 0 H ALA A 80 -8.966 11.193 -18.505 1.00 1.32 H new ATOM 0 HA ALA A 80 -8.789 9.229 -20.527 1.00 52.43 H new ATOM 0 HB1 ALA A 80 -6.800 10.529 -21.215 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -8.184 11.585 -20.848 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -6.857 11.417 -19.674 1.00 1.25 H new ATOM 899 N THR A 81 -6.593 9.005 -18.083 1.00 53.31 N ATOM 900 CA THR A 81 -5.613 8.119 -17.469 1.00 10.13 C ATOM 901 C THR A 81 -5.468 8.408 -15.979 1.00 33.11 C ATOM 902 O THR A 81 -5.897 9.456 -15.497 1.00 21.12 O ATOM 903 CB THR A 81 -4.234 8.253 -18.142 1.00 53.23 C ATOM 904 OG1 THR A 81 -4.378 8.840 -19.440 1.00 53.53 O ATOM 905 CG2 THR A 81 -3.558 6.896 -18.266 1.00 53.13 C ATOM 0 H THR A 81 -6.789 9.852 -17.549 1.00 53.31 H new ATOM 0 HA THR A 81 -5.978 7.101 -17.606 1.00 10.13 H new ATOM 0 HB THR A 81 -3.611 8.896 -17.520 1.00 53.23 H new ATOM 0 HG1 THR A 81 -3.497 8.923 -19.861 1.00 53.53 H new ATOM 0 HG21 THR A 81 -2.586 7.016 -18.744 1.00 53.13 H new ATOM 0 HG22 THR A 81 -3.424 6.464 -17.274 1.00 53.13 H new ATOM 0 HG23 THR A 81 -4.179 6.234 -18.869 1.00 53.13 H new ATOM 913 N GLN A 82 -4.861 7.472 -15.256 1.00 14.43 N ATOM 914 CA GLN A 82 -4.661 7.628 -13.820 1.00 24.01 C ATOM 915 C GLN A 82 -3.994 8.963 -13.505 1.00 10.10 C ATOM 916 O GLN A 82 -4.222 9.546 -12.446 1.00 14.31 O ATOM 917 CB GLN A 82 -3.811 6.479 -13.275 1.00 24.11 C ATOM 918 CG GLN A 82 -4.203 6.044 -11.872 1.00 71.02 C ATOM 919 CD GLN A 82 -3.145 6.380 -10.840 1.00 12.04 C ATOM 920 OE1 GLN A 82 -3.219 7.411 -10.171 1.00 53.40 O ATOM 921 NE2 GLN A 82 -2.152 5.509 -10.704 1.00 34.34 N ATOM 0 H GLN A 82 -4.500 6.599 -15.640 1.00 14.43 H new ATOM 0 HA GLN A 82 -5.638 7.608 -13.338 1.00 24.01 H new ATOM 0 HB2 GLN A 82 -3.895 5.625 -13.948 1.00 24.11 H new ATOM 0 HB3 GLN A 82 -2.764 6.782 -13.273 1.00 24.11 H new ATOM 0 HG2 GLN A 82 -5.141 6.525 -11.595 1.00 71.02 H new ATOM 0 HG3 GLN A 82 -4.383 4.969 -11.866 1.00 71.02 H new ATOM 0 HE21 GLN A 82 -2.130 4.667 -11.279 1.00 34.34 H new ATOM 0 HE22 GLN A 82 -1.411 5.682 -10.024 1.00 34.34 H new ATOM 930 N GLU A 83 -3.169 9.440 -14.432 1.00 11.32 N ATOM 931 CA GLU A 83 -2.469 10.706 -14.251 1.00 43.42 C ATOM 932 C GLU A 83 -3.453 11.836 -13.960 1.00 23.23 C ATOM 933 O GLU A 83 -3.309 12.560 -12.974 1.00 74.44 O ATOM 934 CB GLU A 83 -1.645 11.041 -15.496 1.00 52.45 C ATOM 935 CG GLU A 83 -0.191 10.612 -15.398 1.00 71.44 C ATOM 936 CD GLU A 83 0.619 11.501 -14.476 1.00 2.22 C ATOM 937 OE1 GLU A 83 0.069 12.515 -13.996 1.00 64.04 O ATOM 938 OE2 GLU A 83 1.802 11.184 -14.233 1.00 44.33 O ATOM 0 H GLU A 83 -2.969 8.969 -15.315 1.00 11.32 H new ATOM 0 HA GLU A 83 -1.799 10.602 -13.397 1.00 43.42 H new ATOM 0 HB2 GLU A 83 -2.099 10.560 -16.362 1.00 52.45 H new ATOM 0 HB3 GLU A 83 -1.687 12.116 -15.670 1.00 52.45 H new ATOM 0 HG2 GLU A 83 -0.143 9.584 -15.040 1.00 71.44 H new ATOM 0 HG3 GLU A 83 0.255 10.624 -16.392 1.00 71.44 H new ATOM 945 N SER A 84 -4.452 11.980 -14.825 1.00 3.24 N ATOM 946 CA SER A 84 -5.457 13.024 -14.663 1.00 75.34 C ATOM 947 C SER A 84 -6.406 12.691 -13.516 1.00 12.12 C ATOM 948 O SER A 84 -6.732 13.550 -12.696 1.00 64.43 O ATOM 949 CB SER A 84 -6.250 13.202 -15.960 1.00 1.42 C ATOM 950 OG SER A 84 -5.826 14.359 -16.661 1.00 74.31 O ATOM 0 H SER A 84 -4.587 11.388 -15.644 1.00 3.24 H new ATOM 0 HA SER A 84 -4.943 13.956 -14.428 1.00 75.34 H new ATOM 0 HB2 SER A 84 -6.123 12.323 -16.592 1.00 1.42 H new ATOM 0 HB3 SER A 84 -7.313 13.280 -15.732 1.00 1.42 H new ATOM 0 HG SER A 84 -6.346 14.450 -17.487 1.00 74.31 H new ATOM 956 N ALA A 85 -6.847 11.438 -13.465 1.00 4.23 N ATOM 957 CA ALA A 85 -7.756 10.990 -12.418 1.00 12.35 C ATOM 958 C ALA A 85 -7.207 11.323 -11.034 1.00 71.33 C ATOM 959 O ALA A 85 -7.883 11.957 -10.225 1.00 41.41 O ATOM 960 CB ALA A 85 -8.009 9.495 -12.542 1.00 1.10 C ATOM 0 H ALA A 85 -6.589 10.715 -14.137 1.00 4.23 H new ATOM 0 HA ALA A 85 -8.701 11.518 -12.542 1.00 12.35 H new ATOM 0 HB1 ALA A 85 -8.690 9.175 -11.753 1.00 1.10 H new ATOM 0 HB2 ALA A 85 -8.453 9.281 -13.514 1.00 1.10 H new ATOM 0 HB3 ALA A 85 -7.066 8.957 -12.448 1.00 1.10 H new ATOM 966 N GLN A 86 -5.979 10.889 -10.770 1.00 42.04 N ATOM 967 CA GLN A 86 -5.341 11.140 -9.484 1.00 4.14 C ATOM 968 C GLN A 86 -5.259 12.636 -9.199 1.00 52.20 C ATOM 969 O GLN A 86 -5.440 13.072 -8.063 1.00 3.44 O ATOM 970 CB GLN A 86 -3.939 10.527 -9.457 1.00 75.12 C ATOM 971 CG GLN A 86 -3.124 10.924 -8.237 1.00 54.20 C ATOM 972 CD GLN A 86 -1.838 10.132 -8.111 1.00 41.14 C ATOM 973 OE1 GLN A 86 -0.814 10.752 -7.536 1.00 5.32 O flip ATOM 974 NE2 GLN A 86 -1.765 8.975 -8.527 1.00 53.44 N flip ATOM 0 H GLN A 86 -5.406 10.362 -11.429 1.00 42.04 H new ATOM 0 HA GLN A 86 -5.949 10.673 -8.709 1.00 4.14 H new ATOM 0 HB2 GLN A 86 -4.026 9.441 -9.488 1.00 75.12 H new ATOM 0 HB3 GLN A 86 -3.402 10.829 -10.356 1.00 75.12 H new ATOM 0 HG2 GLN A 86 -2.888 11.987 -8.293 1.00 54.20 H new ATOM 0 HG3 GLN A 86 -3.725 10.778 -7.340 1.00 54.20 H new ATOM 0 HE21 GLN A 86 -2.577 8.537 -8.962 1.00 53.44 H new ATOM 0 HE22 GLN A 86 -0.893 8.454 -8.436 1.00 53.44 H new ATOM 983 N ALA A 87 -4.986 13.417 -10.239 1.00 2.31 N ATOM 984 CA ALA A 87 -4.882 14.865 -10.101 1.00 32.42 C ATOM 985 C ALA A 87 -6.188 15.462 -9.588 1.00 11.10 C ATOM 986 O ALA A 87 -6.191 16.267 -8.656 1.00 45.04 O ATOM 987 CB ALA A 87 -4.497 15.495 -11.431 1.00 12.52 C ATOM 0 H ALA A 87 -4.833 13.072 -11.186 1.00 2.31 H new ATOM 0 HA ALA A 87 -4.103 15.081 -9.370 1.00 32.42 H new ATOM 0 HB1 ALA A 87 -4.423 16.576 -11.314 1.00 12.52 H new ATOM 0 HB2 ALA A 87 -3.535 15.099 -11.757 1.00 12.52 H new ATOM 0 HB3 ALA A 87 -5.257 15.262 -12.177 1.00 12.52 H new ATOM 993 N PHE A 88 -7.297 15.064 -10.202 1.00 71.23 N ATOM 994 CA PHE A 88 -8.610 15.562 -9.809 1.00 20.43 C ATOM 995 C PHE A 88 -8.997 15.042 -8.427 1.00 71.54 C ATOM 996 O PHE A 88 -9.611 15.754 -7.633 1.00 2.11 O ATOM 997 CB PHE A 88 -9.665 15.147 -10.836 1.00 72.03 C ATOM 998 CG PHE A 88 -11.075 15.393 -10.380 1.00 70.53 C ATOM 999 CD1 PHE A 88 -11.761 14.430 -9.656 1.00 44.44 C ATOM 1000 CD2 PHE A 88 -11.715 16.585 -10.676 1.00 41.40 C ATOM 1001 CE1 PHE A 88 -13.058 14.653 -9.235 1.00 1.31 C ATOM 1002 CE2 PHE A 88 -13.012 16.814 -10.257 1.00 1.12 C ATOM 1003 CZ PHE A 88 -13.685 15.846 -9.536 1.00 43.45 C ATOM 0 H PHE A 88 -7.313 14.398 -10.974 1.00 71.23 H new ATOM 0 HA PHE A 88 -8.561 16.650 -9.768 1.00 20.43 H new ATOM 0 HB2 PHE A 88 -9.491 15.692 -11.764 1.00 72.03 H new ATOM 0 HB3 PHE A 88 -9.544 14.087 -11.061 1.00 72.03 H new ATOM 0 HD1 PHE A 88 -11.276 13.495 -9.418 1.00 44.44 H new ATOM 0 HD2 PHE A 88 -11.195 17.344 -11.241 1.00 41.40 H new ATOM 0 HE1 PHE A 88 -13.581 13.895 -8.671 1.00 1.31 H new ATOM 0 HE2 PHE A 88 -13.499 17.749 -10.493 1.00 1.12 H new ATOM 0 HZ PHE A 88 -14.699 16.022 -9.209 1.00 43.45 H new ATOM 1013 N VAL A 89 -8.634 13.794 -8.148 1.00 73.54 N ATOM 1014 CA VAL A 89 -8.942 13.177 -6.864 1.00 34.13 C ATOM 1015 C VAL A 89 -8.217 13.886 -5.726 1.00 15.34 C ATOM 1016 O VAL A 89 -8.782 14.096 -4.653 1.00 12.13 O ATOM 1017 CB VAL A 89 -8.559 11.685 -6.851 1.00 12.12 C ATOM 1018 CG1 VAL A 89 -8.819 11.079 -5.480 1.00 62.32 C ATOM 1019 CG2 VAL A 89 -9.321 10.930 -7.930 1.00 12.52 C ATOM 0 H VAL A 89 -8.126 13.190 -8.795 1.00 73.54 H new ATOM 0 HA VAL A 89 -10.018 13.269 -6.719 1.00 34.13 H new ATOM 0 HB VAL A 89 -7.493 11.599 -7.064 1.00 12.12 H new ATOM 0 HG11 VAL A 89 -8.543 10.025 -5.490 1.00 62.32 H new ATOM 0 HG12 VAL A 89 -8.224 11.603 -4.732 1.00 62.32 H new ATOM 0 HG13 VAL A 89 -9.877 11.174 -5.235 1.00 62.32 H new ATOM 0 HG21 VAL A 89 -9.038 9.878 -7.906 1.00 12.52 H new ATOM 0 HG22 VAL A 89 -10.392 11.022 -7.751 1.00 12.52 H new ATOM 0 HG23 VAL A 89 -9.079 11.349 -8.907 1.00 12.52 H new ATOM 1029 N GLU A 90 -6.963 14.254 -5.968 1.00 71.22 N ATOM 1030 CA GLU A 90 -6.161 14.940 -4.962 1.00 63.03 C ATOM 1031 C GLU A 90 -6.463 16.436 -4.953 1.00 33.45 C ATOM 1032 O GLU A 90 -6.304 17.105 -3.932 1.00 44.25 O ATOM 1033 CB GLU A 90 -4.671 14.712 -5.224 1.00 25.30 C ATOM 1034 CG GLU A 90 -4.127 15.519 -6.391 1.00 23.03 C ATOM 1035 CD GLU A 90 -2.643 15.299 -6.611 1.00 5.54 C ATOM 1036 OE1 GLU A 90 -1.840 15.852 -5.829 1.00 63.24 O ATOM 1037 OE2 GLU A 90 -2.284 14.576 -7.563 1.00 42.31 O ATOM 0 H GLU A 90 -6.481 14.089 -6.851 1.00 71.22 H new ATOM 0 HA GLU A 90 -6.419 14.528 -3.986 1.00 63.03 H new ATOM 0 HB2 GLU A 90 -4.110 14.966 -4.325 1.00 25.30 H new ATOM 0 HB3 GLU A 90 -4.503 13.652 -5.416 1.00 25.30 H new ATOM 0 HG2 GLU A 90 -4.669 15.250 -7.298 1.00 23.03 H new ATOM 0 HG3 GLU A 90 -4.311 16.578 -6.212 1.00 23.03 H new ATOM 1044 N ALA A 91 -6.901 16.952 -6.096 1.00 43.32 N ATOM 1045 CA ALA A 91 -7.227 18.368 -6.220 1.00 31.54 C ATOM 1046 C ALA A 91 -8.559 18.684 -5.547 1.00 43.54 C ATOM 1047 O ALA A 91 -8.839 19.836 -5.215 1.00 52.43 O ATOM 1048 CB ALA A 91 -7.263 18.775 -7.685 1.00 73.12 C ATOM 0 H ALA A 91 -7.039 16.411 -6.950 1.00 43.32 H new ATOM 0 HA ALA A 91 -6.449 18.941 -5.715 1.00 31.54 H new ATOM 0 HB1 ALA A 91 -7.508 19.834 -7.762 1.00 73.12 H new ATOM 0 HB2 ALA A 91 -6.288 18.594 -8.137 1.00 73.12 H new ATOM 0 HB3 ALA A 91 -8.019 18.189 -8.207 1.00 73.12 H new ATOM 1054 N PHE A 92 -9.376 17.656 -5.350 1.00 74.43 N ATOM 1055 CA PHE A 92 -10.680 17.825 -4.719 1.00 41.10 C ATOM 1056 C PHE A 92 -10.835 16.881 -3.530 1.00 54.23 C ATOM 1057 O PHE A 92 -11.914 16.773 -2.948 1.00 11.30 O ATOM 1058 CB PHE A 92 -11.798 17.575 -5.733 1.00 62.43 C ATOM 1059 CG PHE A 92 -11.951 18.677 -6.742 1.00 5.13 C ATOM 1060 CD1 PHE A 92 -10.962 18.915 -7.683 1.00 4.35 C ATOM 1061 CD2 PHE A 92 -13.083 19.476 -6.749 1.00 22.35 C ATOM 1062 CE1 PHE A 92 -11.099 19.929 -8.612 1.00 71.12 C ATOM 1063 CE2 PHE A 92 -13.226 20.490 -7.676 1.00 0.40 C ATOM 1064 CZ PHE A 92 -12.232 20.718 -8.608 1.00 55.11 C ATOM 0 H PHE A 92 -9.159 16.696 -5.618 1.00 74.43 H new ATOM 0 HA PHE A 92 -10.751 18.851 -4.358 1.00 41.10 H new ATOM 0 HB2 PHE A 92 -11.600 16.639 -6.256 1.00 62.43 H new ATOM 0 HB3 PHE A 92 -12.740 17.449 -5.199 1.00 62.43 H new ATOM 0 HD1 PHE A 92 -10.074 18.301 -7.691 1.00 4.35 H new ATOM 0 HD2 PHE A 92 -13.862 19.304 -6.021 1.00 22.35 H new ATOM 0 HE1 PHE A 92 -10.321 20.104 -9.340 1.00 71.12 H new ATOM 0 HE2 PHE A 92 -14.114 21.104 -7.672 1.00 0.40 H new ATOM 0 HZ PHE A 92 -12.341 21.512 -9.332 1.00 55.11 H new ATOM 1074 N GLN A 93 -9.750 16.200 -3.177 1.00 51.04 N ATOM 1075 CA GLN A 93 -9.766 15.264 -2.059 1.00 51.23 C ATOM 1076 C GLN A 93 -10.405 15.898 -0.828 1.00 4.31 C ATOM 1077 O GLN A 93 -11.060 15.221 -0.038 1.00 32.43 O ATOM 1078 CB GLN A 93 -8.345 14.804 -1.732 1.00 4.05 C ATOM 1079 CG GLN A 93 -8.224 14.115 -0.382 1.00 72.30 C ATOM 1080 CD GLN A 93 -6.818 13.622 -0.102 1.00 12.24 C ATOM 1081 OE1 GLN A 93 -5.972 14.370 0.389 1.00 13.24 O ATOM 1082 NE2 GLN A 93 -6.561 12.357 -0.413 1.00 3.23 N ATOM 0 H GLN A 93 -8.849 16.279 -3.649 1.00 51.04 H new ATOM 0 HA GLN A 93 -10.362 14.399 -2.350 1.00 51.23 H new ATOM 0 HB2 GLN A 93 -8.005 14.121 -2.511 1.00 4.05 H new ATOM 0 HB3 GLN A 93 -7.679 15.667 -1.751 1.00 4.05 H new ATOM 0 HG2 GLN A 93 -8.525 14.808 0.404 1.00 72.30 H new ATOM 0 HG3 GLN A 93 -8.914 13.272 -0.345 1.00 72.30 H new ATOM 0 HE21 GLN A 93 -7.292 11.773 -0.818 1.00 3.23 H new ATOM 0 HE22 GLN A 93 -5.632 11.969 -0.247 1.00 3.23 H new ATOM 1091 N GLY A 94 -10.208 17.204 -0.671 1.00 22.11 N ATOM 1092 CA GLY A 94 -10.770 17.907 0.467 1.00 53.41 C ATOM 1093 C GLY A 94 -11.441 19.208 0.071 1.00 62.12 C ATOM 1094 O GLY A 94 -11.051 20.281 0.531 1.00 22.05 O ATOM 0 H GLY A 94 -9.669 17.787 -1.312 1.00 22.11 H new ATOM 0 HA2 GLY A 94 -11.496 17.264 0.965 1.00 53.41 H new ATOM 0 HA3 GLY A 94 -9.980 18.114 1.189 1.00 53.41 H new ATOM 1098 N TYR A 95 -12.451 19.113 -0.787 1.00 0.44 N ATOM 1099 CA TYR A 95 -13.175 20.292 -1.248 1.00 45.21 C ATOM 1100 C TYR A 95 -14.676 20.131 -1.028 1.00 5.03 C ATOM 1101 O TYR A 95 -15.258 19.077 -1.287 1.00 4.44 O ATOM 1102 CB TYR A 95 -12.889 20.544 -2.730 1.00 34.14 C ATOM 1103 CG TYR A 95 -13.666 21.706 -3.307 1.00 31.31 C ATOM 1104 CD1 TYR A 95 -14.973 21.543 -3.748 1.00 35.43 C ATOM 1105 CD2 TYR A 95 -13.092 22.967 -3.410 1.00 54.05 C ATOM 1106 CE1 TYR A 95 -15.686 22.601 -4.276 1.00 53.24 C ATOM 1107 CE2 TYR A 95 -13.798 24.032 -3.937 1.00 32.25 C ATOM 1108 CZ TYR A 95 -15.094 23.844 -4.369 1.00 35.34 C ATOM 1109 OH TYR A 95 -15.802 24.901 -4.893 1.00 43.13 O ATOM 0 H TYR A 95 -12.787 18.232 -1.177 1.00 0.44 H new ATOM 0 HA TYR A 95 -12.832 21.148 -0.667 1.00 45.21 H new ATOM 0 HB2 TYR A 95 -11.823 20.731 -2.859 1.00 34.14 H new ATOM 0 HB3 TYR A 95 -13.126 19.643 -3.296 1.00 34.14 H new ATOM 0 HD1 TYR A 95 -15.440 20.572 -3.677 1.00 35.43 H new ATOM 0 HD2 TYR A 95 -12.077 23.118 -3.073 1.00 54.05 H new ATOM 0 HE1 TYR A 95 -16.701 22.456 -4.614 1.00 53.24 H new ATOM 0 HE2 TYR A 95 -13.337 25.006 -4.010 1.00 32.25 H new ATOM 0 HH TYR A 95 -15.242 25.705 -4.887 1.00 43.13 H new ATOM 1119 N PRO A 96 -15.319 21.201 -0.538 1.00 2.30 N ATOM 1120 CA PRO A 96 -16.760 21.205 -0.273 1.00 15.45 C ATOM 1121 C PRO A 96 -17.586 21.173 -1.554 1.00 50.32 C ATOM 1122 O PRO A 96 -17.712 22.182 -2.249 1.00 1.12 O ATOM 1123 CB PRO A 96 -16.980 22.525 0.472 1.00 32.42 C ATOM 1124 CG PRO A 96 -15.861 23.402 0.027 1.00 32.45 C ATOM 1125 CD PRO A 96 -14.688 22.490 -0.206 1.00 53.03 C ATOM 0 HA PRO A 96 -17.073 20.325 0.289 1.00 15.45 H new ATOM 0 HB2 PRO A 96 -17.948 22.962 0.226 1.00 32.42 H new ATOM 0 HB3 PRO A 96 -16.962 22.378 1.552 1.00 32.42 H new ATOM 0 HG2 PRO A 96 -16.125 23.939 -0.884 1.00 32.45 H new ATOM 0 HG3 PRO A 96 -15.628 24.152 0.783 1.00 32.45 H new ATOM 0 HD2 PRO A 96 -14.055 22.849 -1.018 1.00 53.03 H new ATOM 0 HD3 PRO A 96 -14.057 22.412 0.679 1.00 53.03 H new ATOM 1133 N PHE A 97 -18.147 20.009 -1.862 1.00 33.20 N ATOM 1134 CA PHE A 97 -18.961 19.845 -3.061 1.00 41.51 C ATOM 1135 C PHE A 97 -20.284 19.160 -2.732 1.00 1.34 C ATOM 1136 O PHE A 97 -20.358 18.338 -1.819 1.00 64.11 O ATOM 1137 CB PHE A 97 -18.201 19.034 -4.112 1.00 60.51 C ATOM 1138 CG PHE A 97 -19.011 18.738 -5.342 1.00 21.31 C ATOM 1139 CD1 PHE A 97 -19.552 19.767 -6.095 1.00 52.01 C ATOM 1140 CD2 PHE A 97 -19.231 17.430 -5.745 1.00 45.40 C ATOM 1141 CE1 PHE A 97 -20.298 19.497 -7.227 1.00 15.43 C ATOM 1142 CE2 PHE A 97 -19.976 17.155 -6.876 1.00 63.30 C ATOM 1143 CZ PHE A 97 -20.509 18.190 -7.618 1.00 75.34 C ATOM 0 H PHE A 97 -18.053 19.165 -1.298 1.00 33.20 H new ATOM 0 HA PHE A 97 -19.176 20.836 -3.462 1.00 41.51 H new ATOM 0 HB2 PHE A 97 -17.303 19.580 -4.401 1.00 60.51 H new ATOM 0 HB3 PHE A 97 -17.874 18.094 -3.667 1.00 60.51 H new ATOM 0 HD1 PHE A 97 -19.389 20.791 -5.794 1.00 52.01 H new ATOM 0 HD2 PHE A 97 -18.815 16.617 -5.169 1.00 45.40 H new ATOM 0 HE1 PHE A 97 -20.715 20.308 -7.805 1.00 15.43 H new ATOM 0 HE2 PHE A 97 -20.141 16.132 -7.179 1.00 63.30 H new ATOM 0 HZ PHE A 97 -21.090 17.977 -8.503 1.00 75.34 H new ATOM 1153 N GLN A 98 -21.325 19.507 -3.481 1.00 75.40 N ATOM 1154 CA GLN A 98 -22.646 18.926 -3.268 1.00 0.12 C ATOM 1155 C GLN A 98 -23.078 19.076 -1.813 1.00 12.31 C ATOM 1156 O GLN A 98 -23.840 18.261 -1.294 1.00 3.42 O ATOM 1157 CB GLN A 98 -22.646 17.448 -3.662 1.00 54.23 C ATOM 1158 CG GLN A 98 -22.828 17.217 -5.154 1.00 21.32 C ATOM 1159 CD GLN A 98 -24.274 17.343 -5.592 1.00 45.43 C ATOM 1160 OE1 GLN A 98 -25.188 16.916 -4.887 1.00 70.22 O ATOM 1161 NE2 GLN A 98 -24.488 17.934 -6.762 1.00 61.44 N ATOM 0 H GLN A 98 -21.280 20.187 -4.240 1.00 75.40 H new ATOM 0 HA GLN A 98 -23.357 19.462 -3.897 1.00 0.12 H new ATOM 0 HB2 GLN A 98 -21.706 16.996 -3.345 1.00 54.23 H new ATOM 0 HB3 GLN A 98 -23.444 16.937 -3.123 1.00 54.23 H new ATOM 0 HG2 GLN A 98 -22.221 17.935 -5.706 1.00 21.32 H new ATOM 0 HG3 GLN A 98 -22.459 16.224 -5.412 1.00 21.32 H new ATOM 0 HE21 GLN A 98 -23.700 18.273 -7.314 1.00 61.44 H new ATOM 0 HE22 GLN A 98 -25.440 18.049 -7.109 1.00 61.44 H new ATOM 1170 N GLY A 99 -22.586 20.125 -1.160 1.00 20.45 N ATOM 1171 CA GLY A 99 -22.932 20.362 0.230 1.00 51.23 C ATOM 1172 C GLY A 99 -21.714 20.616 1.095 1.00 30.15 C ATOM 1173 O GLY A 99 -21.581 21.683 1.693 1.00 24.21 O ATOM 0 H GLY A 99 -21.955 20.814 -1.568 1.00 20.45 H new ATOM 0 HA2 GLY A 99 -23.604 21.218 0.293 1.00 51.23 H new ATOM 0 HA3 GLY A 99 -23.476 19.501 0.618 1.00 51.23 H new ATOM 1177 N ASN A 100 -20.824 19.632 1.164 1.00 24.44 N ATOM 1178 CA ASN A 100 -19.611 19.753 1.966 1.00 71.42 C ATOM 1179 C ASN A 100 -18.790 18.468 1.908 1.00 34.31 C ATOM 1180 O ASN A 100 -17.635 18.458 1.484 1.00 43.42 O ATOM 1181 CB ASN A 100 -19.965 20.080 3.418 1.00 51.12 C ATOM 1182 CG ASN A 100 -18.980 19.480 4.403 1.00 40.35 C ATOM 1183 OD1 ASN A 100 -19.357 18.701 5.278 1.00 1.20 O ATOM 1184 ND2 ASN A 100 -17.710 19.842 4.263 1.00 1.22 N ATOM 0 H ASN A 100 -20.919 18.742 0.675 1.00 24.44 H new ATOM 0 HA ASN A 100 -19.012 20.565 1.553 1.00 71.42 H new ATOM 0 HB2 ASN A 100 -19.991 21.162 3.548 1.00 51.12 H new ATOM 0 HB3 ASN A 100 -20.966 19.709 3.638 1.00 51.12 H new ATOM 0 HD21 ASN A 100 -17.001 19.471 4.896 1.00 1.22 H new ATOM 0 HD22 ASN A 100 -17.443 20.491 3.523 1.00 1.22 H new ATOM 1191 N PRO A 101 -19.401 17.356 2.344 1.00 23.24 N ATOM 1192 CA PRO A 101 -18.746 16.044 2.352 1.00 42.35 C ATOM 1193 C PRO A 101 -18.534 15.494 0.945 1.00 14.21 C ATOM 1194 O PRO A 101 -19.476 15.031 0.301 1.00 73.34 O ATOM 1195 CB PRO A 101 -19.726 15.162 3.129 1.00 53.52 C ATOM 1196 CG PRO A 101 -21.052 15.817 2.945 1.00 1.02 C ATOM 1197 CD PRO A 101 -20.777 17.293 2.864 1.00 52.23 C ATOM 0 HA PRO A 101 -17.750 16.088 2.793 1.00 42.35 H new ATOM 0 HB2 PRO A 101 -19.731 14.142 2.744 1.00 53.52 H new ATOM 0 HB3 PRO A 101 -19.456 15.104 4.183 1.00 53.52 H new ATOM 0 HG2 PRO A 101 -21.541 15.461 2.038 1.00 1.02 H new ATOM 0 HG3 PRO A 101 -21.719 15.589 3.777 1.00 1.02 H new ATOM 0 HD2 PRO A 101 -21.480 17.797 2.201 1.00 52.23 H new ATOM 0 HD3 PRO A 101 -20.860 17.771 3.840 1.00 52.23 H new ATOM 1205 N LEU A 102 -17.293 15.548 0.474 1.00 34.13 N ATOM 1206 CA LEU A 102 -16.958 15.054 -0.857 1.00 10.12 C ATOM 1207 C LEU A 102 -15.765 14.105 -0.801 1.00 13.00 C ATOM 1208 O LEU A 102 -14.675 14.486 -0.374 1.00 60.34 O ATOM 1209 CB LEU A 102 -16.650 16.224 -1.794 1.00 34.45 C ATOM 1210 CG LEU A 102 -16.018 15.859 -3.137 1.00 71.02 C ATOM 1211 CD1 LEU A 102 -17.020 15.127 -4.017 1.00 45.43 C ATOM 1212 CD2 LEU A 102 -15.500 17.106 -3.839 1.00 22.14 C ATOM 0 H LEU A 102 -16.502 15.929 0.994 1.00 34.13 H new ATOM 0 HA LEU A 102 -17.818 14.505 -1.241 1.00 10.12 H new ATOM 0 HB2 LEU A 102 -17.577 16.763 -1.986 1.00 34.45 H new ATOM 0 HB3 LEU A 102 -15.982 16.912 -1.276 1.00 34.45 H new ATOM 0 HG LEU A 102 -15.175 15.194 -2.951 1.00 71.02 H new ATOM 0 HD11 LEU A 102 -16.552 14.875 -4.969 1.00 45.43 H new ATOM 0 HD12 LEU A 102 -17.343 14.213 -3.518 1.00 45.43 H new ATOM 0 HD13 LEU A 102 -17.884 15.768 -4.195 1.00 45.43 H new ATOM 0 HD21 LEU A 102 -15.053 16.827 -4.793 1.00 22.14 H new ATOM 0 HD22 LEU A 102 -16.326 17.796 -4.013 1.00 22.14 H new ATOM 0 HD23 LEU A 102 -14.749 17.590 -3.214 1.00 22.14 H new ATOM 1224 N VAL A 103 -15.979 12.868 -1.237 1.00 33.43 N ATOM 1225 CA VAL A 103 -14.921 11.864 -1.240 1.00 12.43 C ATOM 1226 C VAL A 103 -14.578 11.432 -2.661 1.00 31.33 C ATOM 1227 O VAL A 103 -15.467 11.197 -3.480 1.00 44.14 O ATOM 1228 CB VAL A 103 -15.322 10.624 -0.420 1.00 22.34 C ATOM 1229 CG1 VAL A 103 -16.457 9.876 -1.102 1.00 51.11 C ATOM 1230 CG2 VAL A 103 -14.121 9.713 -0.212 1.00 35.33 C ATOM 0 H VAL A 103 -16.876 12.537 -1.593 1.00 33.43 H new ATOM 0 HA VAL A 103 -14.046 12.325 -0.782 1.00 12.43 H new ATOM 0 HB VAL A 103 -15.673 10.954 0.558 1.00 22.34 H new ATOM 0 HG11 VAL A 103 -16.726 9.003 -0.508 1.00 51.11 H new ATOM 0 HG12 VAL A 103 -17.322 10.533 -1.194 1.00 51.11 H new ATOM 0 HG13 VAL A 103 -16.137 9.555 -2.094 1.00 51.11 H new ATOM 0 HG21 VAL A 103 -14.422 8.841 0.369 1.00 35.33 H new ATOM 0 HG22 VAL A 103 -13.738 9.389 -1.180 1.00 35.33 H new ATOM 0 HG23 VAL A 103 -13.342 10.255 0.324 1.00 35.33 H new ATOM 1240 N ILE A 104 -13.284 11.328 -2.945 1.00 75.44 N ATOM 1241 CA ILE A 104 -12.824 10.921 -4.267 1.00 50.34 C ATOM 1242 C ILE A 104 -11.703 9.893 -4.167 1.00 22.31 C ATOM 1243 O ILE A 104 -10.693 10.121 -3.500 1.00 30.22 O ATOM 1244 CB ILE A 104 -12.327 12.128 -5.086 1.00 21.43 C ATOM 1245 CG1 ILE A 104 -11.803 13.222 -4.154 1.00 44.42 C ATOM 1246 CG2 ILE A 104 -13.444 12.665 -5.968 1.00 45.31 C ATOM 1247 CD1 ILE A 104 -12.878 14.168 -3.668 1.00 12.30 C ATOM 0 H ILE A 104 -12.536 11.520 -2.278 1.00 75.44 H new ATOM 0 HA ILE A 104 -13.679 10.474 -4.775 1.00 50.34 H new ATOM 0 HB ILE A 104 -11.509 11.802 -5.728 1.00 21.43 H new ATOM 0 HG12 ILE A 104 -11.324 12.756 -3.293 1.00 44.42 H new ATOM 0 HG13 ILE A 104 -11.035 13.794 -4.674 1.00 44.42 H new ATOM 0 HG21 ILE A 104 -13.078 13.517 -6.540 1.00 45.31 H new ATOM 0 HG22 ILE A 104 -13.775 11.884 -6.652 1.00 45.31 H new ATOM 0 HG23 ILE A 104 -14.281 12.979 -5.344 1.00 45.31 H new ATOM 0 HD11 ILE A 104 -12.434 14.917 -3.012 1.00 12.30 H new ATOM 0 HD12 ILE A 104 -13.341 14.662 -4.522 1.00 12.30 H new ATOM 0 HD13 ILE A 104 -13.635 13.608 -3.119 1.00 12.30 H new ATOM 1259 N THR A 105 -11.886 8.758 -4.836 1.00 1.43 N ATOM 1260 CA THR A 105 -10.890 7.694 -4.823 1.00 12.22 C ATOM 1261 C THR A 105 -10.840 6.972 -6.164 1.00 43.24 C ATOM 1262 O THR A 105 -11.635 7.252 -7.062 1.00 1.23 O ATOM 1263 CB THR A 105 -11.179 6.668 -3.711 1.00 11.00 C ATOM 1264 OG1 THR A 105 -12.496 6.129 -3.872 1.00 10.34 O ATOM 1265 CG2 THR A 105 -11.052 7.309 -2.337 1.00 62.40 C ATOM 0 H THR A 105 -12.715 8.553 -5.393 1.00 1.43 H new ATOM 0 HA THR A 105 -9.926 8.165 -4.631 1.00 12.22 H new ATOM 0 HB THR A 105 -10.446 5.865 -3.789 1.00 11.00 H new ATOM 0 HG1 THR A 105 -12.969 6.625 -4.572 1.00 10.34 H new ATOM 0 HG21 THR A 105 -11.261 6.565 -1.568 1.00 62.40 H new ATOM 0 HG22 THR A 105 -10.040 7.692 -2.206 1.00 62.40 H new ATOM 0 HG23 THR A 105 -11.764 8.129 -2.251 1.00 62.40 H new ATOM 1273 N PHE A 106 -9.901 6.041 -6.295 1.00 45.10 N ATOM 1274 CA PHE A 106 -9.746 5.278 -7.528 1.00 54.53 C ATOM 1275 C PHE A 106 -10.538 3.976 -7.465 1.00 32.32 C ATOM 1276 O PHE A 106 -11.040 3.593 -6.408 1.00 73.21 O ATOM 1277 CB PHE A 106 -8.268 4.978 -7.786 1.00 13.12 C ATOM 1278 CG PHE A 106 -7.382 6.184 -7.666 1.00 3.50 C ATOM 1279 CD1 PHE A 106 -6.870 6.565 -6.436 1.00 13.40 C ATOM 1280 CD2 PHE A 106 -7.060 6.938 -8.783 1.00 71.15 C ATOM 1281 CE1 PHE A 106 -6.054 7.675 -6.322 1.00 62.12 C ATOM 1282 CE2 PHE A 106 -6.244 8.048 -8.676 1.00 22.00 C ATOM 1283 CZ PHE A 106 -5.741 8.418 -7.444 1.00 30.33 C ATOM 0 H PHE A 106 -9.235 5.797 -5.562 1.00 45.10 H new ATOM 0 HA PHE A 106 -10.135 5.880 -8.349 1.00 54.53 H new ATOM 0 HB2 PHE A 106 -7.931 4.218 -7.081 1.00 13.12 H new ATOM 0 HB3 PHE A 106 -8.160 4.556 -8.785 1.00 13.12 H new ATOM 0 HD1 PHE A 106 -7.111 5.988 -5.556 1.00 13.40 H new ATOM 0 HD2 PHE A 106 -7.451 6.655 -9.749 1.00 71.15 H new ATOM 0 HE1 PHE A 106 -5.662 7.961 -5.357 1.00 62.12 H new ATOM 0 HE2 PHE A 106 -6.000 8.626 -9.555 1.00 22.00 H new ATOM 0 HZ PHE A 106 -5.104 9.286 -7.358 1.00 30.33 H new