USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 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 Single : A 30 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.9) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 36 ASN : amide:sc= 0.00482 X(o=0.0048,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 0.0599 (180deg=0.03) 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 : amide:sc= -1.45 K(o=-1.5,f=-2.5) USER MOD Single : A 68 SER OG : rot -3:sc= 0.658 USER MOD Single : A 71 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.18) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0568 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 82 GLN :FLIP amide:sc= 0.576 F(o=-0.27,f=0.58) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 86 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.6) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.48) USER MOD Single : A 100 ASN : amide:sc= -0.665 K(o=-0.66,f=-2.1!) USER MOD Single : A 105 THR OG1 : rot -11:sc= 0.0581 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -8.564 4.604 -16.766 1.00 40.43 N ATOM 115 CA GLN A 30 -9.064 5.855 -17.324 1.00 45.44 C ATOM 116 C GLN A 30 -10.425 6.209 -16.736 1.00 34.42 C ATOM 117 O GLN A 30 -11.190 6.971 -17.327 1.00 0.20 O ATOM 118 CB GLN A 30 -9.163 5.755 -18.847 1.00 75.04 C ATOM 119 CG GLN A 30 -7.949 5.110 -19.496 1.00 1.53 C ATOM 120 CD GLN A 30 -7.968 5.219 -21.008 1.00 30.43 C ATOM 121 OE1 GLN A 30 -8.814 5.905 -21.582 1.00 2.12 O ATOM 122 NE2 GLN A 30 -7.033 4.539 -21.662 1.00 11.51 N ATOM 0 HA GLN A 30 -8.360 6.646 -17.064 1.00 45.44 H new ATOM 0 HB2 GLN A 30 -10.052 5.181 -19.108 1.00 75.04 H new ATOM 0 HB3 GLN A 30 -9.297 6.755 -19.260 1.00 75.04 H new ATOM 0 HG2 GLN A 30 -7.044 5.581 -19.113 1.00 1.53 H new ATOM 0 HG3 GLN A 30 -7.906 4.059 -19.212 1.00 1.53 H new ATOM 0 HE21 GLN A 30 -6.351 3.983 -21.145 1.00 11.51 H new ATOM 0 HE22 GLN A 30 -6.997 4.573 -22.681 1.00 11.51 H new ATOM 131 N VAL A 31 -10.723 5.649 -15.567 1.00 60.35 N ATOM 132 CA VAL A 31 -11.993 5.905 -14.898 1.00 43.01 C ATOM 133 C VAL A 31 -11.799 6.060 -13.394 1.00 14.01 C ATOM 134 O VAL A 31 -10.928 5.425 -12.800 1.00 63.02 O ATOM 135 CB VAL A 31 -13.004 4.774 -15.161 1.00 31.52 C ATOM 136 CG1 VAL A 31 -13.186 4.556 -16.655 1.00 62.22 C ATOM 137 CG2 VAL A 31 -12.557 3.490 -14.477 1.00 43.32 C ATOM 0 H VAL A 31 -10.102 5.015 -15.064 1.00 60.35 H new ATOM 0 HA VAL A 31 -12.386 6.835 -15.309 1.00 43.01 H new ATOM 0 HB VAL A 31 -13.967 5.066 -14.741 1.00 31.52 H new ATOM 0 HG11 VAL A 31 -13.904 3.753 -16.821 1.00 62.22 H new ATOM 0 HG12 VAL A 31 -13.555 5.473 -17.114 1.00 62.22 H new ATOM 0 HG13 VAL A 31 -12.230 4.286 -17.102 1.00 62.22 H new ATOM 0 HG21 VAL A 31 -13.283 2.701 -14.673 1.00 43.32 H new ATOM 0 HG22 VAL A 31 -11.583 3.191 -14.865 1.00 43.32 H new ATOM 0 HG23 VAL A 31 -12.484 3.657 -13.402 1.00 43.32 H new ATOM 147 N VAL A 32 -12.619 6.909 -12.782 1.00 32.23 N ATOM 148 CA VAL A 32 -12.540 7.147 -11.345 1.00 71.35 C ATOM 149 C VAL A 32 -13.890 6.915 -10.675 1.00 25.01 C ATOM 150 O VAL A 32 -14.932 7.306 -11.202 1.00 32.34 O ATOM 151 CB VAL A 32 -12.066 8.580 -11.039 1.00 74.12 C ATOM 152 CG1 VAL A 32 -10.782 8.890 -11.792 1.00 42.24 C ATOM 153 CG2 VAL A 32 -13.154 9.586 -11.386 1.00 62.51 C ATOM 0 H VAL A 32 -13.345 7.443 -13.259 1.00 32.23 H new ATOM 0 HA VAL A 32 -11.813 6.439 -10.946 1.00 71.35 H new ATOM 0 HB VAL A 32 -11.860 8.656 -9.971 1.00 74.12 H new ATOM 0 HG11 VAL A 32 -10.462 9.907 -11.563 1.00 42.24 H new ATOM 0 HG12 VAL A 32 -10.004 8.189 -11.490 1.00 42.24 H new ATOM 0 HG13 VAL A 32 -10.957 8.797 -12.864 1.00 42.24 H new ATOM 0 HG21 VAL A 32 -12.802 10.593 -11.164 1.00 62.51 H new ATOM 0 HG22 VAL A 32 -13.394 9.511 -12.447 1.00 62.51 H new ATOM 0 HG23 VAL A 32 -14.046 9.375 -10.797 1.00 62.51 H new ATOM 163 N LEU A 33 -13.863 6.278 -9.510 1.00 31.43 N ATOM 164 CA LEU A 33 -15.085 5.994 -8.765 1.00 70.41 C ATOM 165 C LEU A 33 -15.215 6.918 -7.559 1.00 23.14 C ATOM 166 O LEU A 33 -14.342 6.947 -6.690 1.00 41.45 O ATOM 167 CB LEU A 33 -15.099 4.534 -8.308 1.00 13.04 C ATOM 168 CG LEU A 33 -15.925 4.231 -7.057 1.00 73.30 C ATOM 169 CD1 LEU A 33 -17.356 4.716 -7.232 1.00 20.04 C ATOM 170 CD2 LEU A 33 -15.899 2.741 -6.749 1.00 74.42 C ATOM 0 H LEU A 33 -13.009 5.948 -9.061 1.00 31.43 H new ATOM 0 HA LEU A 33 -15.934 6.170 -9.426 1.00 70.41 H new ATOM 0 HB2 LEU A 33 -15.478 3.921 -9.126 1.00 13.04 H new ATOM 0 HB3 LEU A 33 -14.071 4.221 -8.125 1.00 13.04 H new ATOM 0 HG LEU A 33 -15.483 4.764 -6.215 1.00 73.30 H new ATOM 0 HD11 LEU A 33 -17.929 4.492 -6.332 1.00 20.04 H new ATOM 0 HD12 LEU A 33 -17.357 5.792 -7.404 1.00 20.04 H new ATOM 0 HD13 LEU A 33 -17.809 4.212 -8.085 1.00 20.04 H new ATOM 0 HD21 LEU A 33 -16.492 2.544 -5.856 1.00 74.42 H new ATOM 0 HD22 LEU A 33 -16.316 2.188 -7.591 1.00 74.42 H new ATOM 0 HD23 LEU A 33 -14.870 2.422 -6.580 1.00 74.42 H new ATOM 182 N ILE A 34 -16.310 7.669 -7.510 1.00 44.03 N ATOM 183 CA ILE A 34 -16.555 8.591 -6.409 1.00 3.44 C ATOM 184 C ILE A 34 -17.699 8.103 -5.527 1.00 22.23 C ATOM 185 O ILE A 34 -18.637 7.464 -6.004 1.00 53.34 O ATOM 186 CB ILE A 34 -16.884 10.006 -6.921 1.00 74.31 C ATOM 187 CG1 ILE A 34 -18.131 9.973 -7.808 1.00 31.24 C ATOM 188 CG2 ILE A 34 -15.701 10.582 -7.684 1.00 2.14 C ATOM 189 CD1 ILE A 34 -17.822 10.020 -9.288 1.00 4.35 C ATOM 0 H ILE A 34 -17.042 7.657 -8.221 1.00 44.03 H new ATOM 0 HA ILE A 34 -15.638 8.631 -5.821 1.00 3.44 H new ATOM 0 HB ILE A 34 -17.086 10.649 -6.064 1.00 74.31 H new ATOM 0 HG12 ILE A 34 -18.697 9.067 -7.592 1.00 31.24 H new ATOM 0 HG13 ILE A 34 -18.771 10.817 -7.552 1.00 31.24 H new ATOM 0 HG21 ILE A 34 -15.949 11.582 -8.039 1.00 2.14 H new ATOM 0 HG22 ILE A 34 -14.834 10.636 -7.025 1.00 2.14 H new ATOM 0 HG23 ILE A 34 -15.470 9.941 -8.535 1.00 2.14 H new ATOM 0 HD11 ILE A 34 -18.753 9.993 -9.855 1.00 4.35 H new ATOM 0 HD12 ILE A 34 -17.283 10.939 -9.518 1.00 4.35 H new ATOM 0 HD13 ILE A 34 -17.207 9.162 -9.559 1.00 4.35 H new ATOM 201 N THR A 35 -17.616 8.408 -4.236 1.00 2.55 N ATOM 202 CA THR A 35 -18.644 8.002 -3.286 1.00 61.41 C ATOM 203 C THR A 35 -18.880 9.081 -2.236 1.00 34.33 C ATOM 204 O THR A 35 -18.321 10.173 -2.318 1.00 52.32 O ATOM 205 CB THR A 35 -18.266 6.686 -2.579 1.00 14.44 C ATOM 206 OG1 THR A 35 -17.134 6.895 -1.728 1.00 2.52 O ATOM 207 CG2 THR A 35 -17.951 5.597 -3.593 1.00 0.51 C ATOM 0 H THR A 35 -16.846 8.936 -3.824 1.00 2.55 H new ATOM 0 HA THR A 35 -19.560 7.849 -3.857 1.00 61.41 H new ATOM 0 HB THR A 35 -19.117 6.365 -1.978 1.00 14.44 H new ATOM 0 HG1 THR A 35 -16.901 6.055 -1.281 1.00 2.52 H new ATOM 0 HG21 THR A 35 -17.687 4.678 -3.070 1.00 0.51 H new ATOM 0 HG22 THR A 35 -18.825 5.420 -4.220 1.00 0.51 H new ATOM 0 HG23 THR A 35 -17.115 5.912 -4.217 1.00 0.51 H new ATOM 215 N ASN A 36 -19.712 8.766 -1.248 1.00 13.30 N ATOM 216 CA ASN A 36 -20.022 9.710 -0.180 1.00 55.34 C ATOM 217 C ASN A 36 -20.782 10.916 -0.724 1.00 54.24 C ATOM 218 O ASN A 36 -20.661 12.026 -0.204 1.00 25.40 O ATOM 219 CB ASN A 36 -18.737 10.172 0.510 1.00 54.02 C ATOM 220 CG ASN A 36 -18.823 10.067 2.020 1.00 4.03 C ATOM 221 OD1 ASN A 36 -18.079 9.310 2.644 1.00 63.21 O ATOM 222 ND2 ASN A 36 -19.733 10.829 2.616 1.00 61.33 N ATOM 0 H ASN A 36 -20.183 7.865 -1.165 1.00 13.30 H new ATOM 0 HA ASN A 36 -20.655 9.202 0.548 1.00 55.34 H new ATOM 0 HB2 ASN A 36 -17.900 9.571 0.154 1.00 54.02 H new ATOM 0 HB3 ASN A 36 -18.529 11.205 0.231 1.00 54.02 H new ATOM 0 HD21 ASN A 36 -19.836 10.801 3.630 1.00 61.33 H new ATOM 0 HD22 ASN A 36 -20.329 11.442 2.059 1.00 61.33 H new ATOM 229 N ILE A 37 -21.566 10.691 -1.773 1.00 73.32 N ATOM 230 CA ILE A 37 -22.347 11.758 -2.386 1.00 71.12 C ATOM 231 C ILE A 37 -23.813 11.673 -1.975 1.00 21.24 C ATOM 232 O ILE A 37 -24.399 10.592 -1.950 1.00 73.41 O ATOM 233 CB ILE A 37 -22.254 11.713 -3.923 1.00 24.42 C ATOM 234 CG1 ILE A 37 -22.594 10.312 -4.435 1.00 73.32 C ATOM 235 CG2 ILE A 37 -20.863 12.127 -4.381 1.00 73.53 C ATOM 236 CD1 ILE A 37 -22.753 10.240 -5.938 1.00 30.22 C ATOM 0 H ILE A 37 -21.677 9.779 -2.216 1.00 73.32 H new ATOM 0 HA ILE A 37 -21.926 12.699 -2.032 1.00 71.12 H new ATOM 0 HB ILE A 37 -22.976 12.416 -4.337 1.00 24.42 H new ATOM 0 HG12 ILE A 37 -21.809 9.621 -4.127 1.00 73.32 H new ATOM 0 HG13 ILE A 37 -23.517 9.976 -3.964 1.00 73.32 H new ATOM 0 HG21 ILE A 37 -20.812 12.090 -5.469 1.00 73.53 H new ATOM 0 HG22 ILE A 37 -20.655 13.142 -4.042 1.00 73.53 H new ATOM 0 HG23 ILE A 37 -20.124 11.446 -3.960 1.00 73.53 H new ATOM 0 HD11 ILE A 37 -22.993 9.218 -6.230 1.00 30.22 H new ATOM 0 HD12 ILE A 37 -23.558 10.905 -6.251 1.00 30.22 H new ATOM 0 HD13 ILE A 37 -21.823 10.545 -6.417 1.00 30.22 H new ATOM 248 N ASN A 38 -24.399 12.821 -1.653 1.00 54.45 N ATOM 249 CA ASN A 38 -25.798 12.877 -1.244 1.00 10.21 C ATOM 250 C ASN A 38 -26.723 12.783 -2.453 1.00 52.25 C ATOM 251 O ASN A 38 -26.637 13.572 -3.395 1.00 13.12 O ATOM 252 CB ASN A 38 -26.075 14.171 -0.475 1.00 62.14 C ATOM 253 CG ASN A 38 -26.521 13.912 0.951 1.00 52.14 C ATOM 254 OD1 ASN A 38 -27.535 13.255 1.186 1.00 73.22 O ATOM 255 ND2 ASN A 38 -25.764 14.430 1.911 1.00 64.53 N ATOM 0 H ASN A 38 -23.927 13.725 -1.667 1.00 54.45 H new ATOM 0 HA ASN A 38 -25.994 12.026 -0.592 1.00 10.21 H new ATOM 0 HB2 ASN A 38 -25.174 14.785 -0.465 1.00 62.14 H new ATOM 0 HB3 ASN A 38 -26.844 14.742 -0.995 1.00 62.14 H new ATOM 0 HD21 ASN A 38 -26.015 14.290 2.890 1.00 64.53 H new ATOM 0 HD22 ASN A 38 -24.932 14.968 1.670 1.00 64.53 H new ATOM 262 N PRO A 39 -27.630 11.796 -2.429 1.00 74.51 N ATOM 263 CA PRO A 39 -28.590 11.575 -3.515 1.00 50.21 C ATOM 264 C PRO A 39 -29.644 12.674 -3.589 1.00 13.40 C ATOM 265 O PRO A 39 -30.454 12.708 -4.515 1.00 14.05 O ATOM 266 CB PRO A 39 -29.237 10.237 -3.150 1.00 74.03 C ATOM 267 CG PRO A 39 -29.086 10.134 -1.672 1.00 34.41 C ATOM 268 CD PRO A 39 -27.790 10.818 -1.339 1.00 44.22 C ATOM 0 HA PRO A 39 -28.108 11.578 -4.492 1.00 50.21 H new ATOM 0 HB2 PRO A 39 -30.286 10.212 -3.443 1.00 74.03 H new ATOM 0 HB3 PRO A 39 -28.744 9.408 -3.657 1.00 74.03 H new ATOM 0 HG2 PRO A 39 -29.922 10.611 -1.160 1.00 34.41 H new ATOM 0 HG3 PRO A 39 -29.070 9.092 -1.353 1.00 34.41 H new ATOM 0 HD2 PRO A 39 -27.832 11.305 -0.365 1.00 44.22 H new ATOM 0 HD3 PRO A 39 -26.960 10.112 -1.307 1.00 44.22 H new ATOM 276 N GLU A 40 -29.627 13.572 -2.608 1.00 71.42 N ATOM 277 CA GLU A 40 -30.583 14.672 -2.563 1.00 61.14 C ATOM 278 C GLU A 40 -30.618 15.417 -3.895 1.00 23.13 C ATOM 279 O GLU A 40 -31.643 15.980 -4.277 1.00 75.24 O ATOM 280 CB GLU A 40 -30.227 15.640 -1.434 1.00 1.44 C ATOM 281 CG GLU A 40 -30.936 15.336 -0.125 1.00 22.33 C ATOM 282 CD GLU A 40 -31.239 16.585 0.679 1.00 14.20 C ATOM 283 OE1 GLU A 40 -30.370 17.480 0.737 1.00 32.21 O ATOM 284 OE2 GLU A 40 -32.347 16.668 1.250 1.00 52.12 O ATOM 0 H GLU A 40 -28.962 13.559 -1.835 1.00 71.42 H new ATOM 0 HA GLU A 40 -31.572 14.253 -2.374 1.00 61.14 H new ATOM 0 HB2 GLU A 40 -29.150 15.612 -1.269 1.00 1.44 H new ATOM 0 HB3 GLU A 40 -30.476 16.655 -1.745 1.00 1.44 H new ATOM 0 HG2 GLU A 40 -31.867 14.809 -0.334 1.00 22.33 H new ATOM 0 HG3 GLU A 40 -30.317 14.666 0.472 1.00 22.33 H new ATOM 291 N VAL A 41 -29.489 15.416 -4.596 1.00 45.32 N ATOM 292 CA VAL A 41 -29.389 16.091 -5.885 1.00 4.02 C ATOM 293 C VAL A 41 -29.714 15.139 -7.030 1.00 40.03 C ATOM 294 O VAL A 41 -29.235 14.006 -7.084 1.00 35.14 O ATOM 295 CB VAL A 41 -27.981 16.678 -6.103 1.00 74.15 C ATOM 296 CG1 VAL A 41 -26.927 15.586 -6.007 1.00 44.23 C ATOM 297 CG2 VAL A 41 -27.904 17.389 -7.446 1.00 61.21 C ATOM 0 H VAL A 41 -28.631 14.955 -4.293 1.00 45.32 H new ATOM 0 HA VAL A 41 -30.116 16.903 -5.875 1.00 4.02 H new ATOM 0 HB VAL A 41 -27.784 17.409 -5.319 1.00 74.15 H new ATOM 0 HG11 VAL A 41 -25.939 16.019 -6.164 1.00 44.23 H new ATOM 0 HG12 VAL A 41 -26.969 15.125 -5.020 1.00 44.23 H new ATOM 0 HG13 VAL A 41 -27.116 14.830 -6.769 1.00 44.23 H new ATOM 0 HG21 VAL A 41 -26.903 17.798 -7.584 1.00 61.21 H new ATOM 0 HG22 VAL A 41 -28.120 16.681 -8.246 1.00 61.21 H new ATOM 0 HG23 VAL A 41 -28.633 18.199 -7.471 1.00 61.21 H new ATOM 307 N PRO A 42 -30.547 15.608 -7.971 1.00 14.03 N ATOM 308 CA PRO A 42 -30.955 14.815 -9.134 1.00 60.31 C ATOM 309 C PRO A 42 -29.810 14.598 -10.118 1.00 31.33 C ATOM 310 O PRO A 42 -29.013 15.502 -10.369 1.00 14.23 O ATOM 311 CB PRO A 42 -32.056 15.664 -9.774 1.00 72.32 C ATOM 312 CG PRO A 42 -31.757 17.059 -9.345 1.00 62.41 C ATOM 313 CD PRO A 42 -31.156 16.949 -7.971 1.00 44.11 C ATOM 0 HA PRO A 42 -31.280 13.814 -8.851 1.00 60.31 H new ATOM 0 HB2 PRO A 42 -32.045 15.573 -10.860 1.00 72.32 H new ATOM 0 HB3 PRO A 42 -33.044 15.350 -9.438 1.00 72.32 H new ATOM 0 HG2 PRO A 42 -31.065 17.540 -10.036 1.00 62.41 H new ATOM 0 HG3 PRO A 42 -32.663 17.665 -9.327 1.00 62.41 H new ATOM 0 HD2 PRO A 42 -30.414 17.727 -7.794 1.00 44.11 H new ATOM 0 HD3 PRO A 42 -31.913 17.047 -7.192 1.00 44.11 H new ATOM 321 N LYS A 43 -29.734 13.393 -10.673 1.00 24.02 N ATOM 322 CA LYS A 43 -28.687 13.057 -11.631 1.00 32.41 C ATOM 323 C LYS A 43 -28.555 14.141 -12.695 1.00 51.04 C ATOM 324 O LYS A 43 -27.459 14.414 -13.183 1.00 62.52 O ATOM 325 CB LYS A 43 -28.988 11.710 -12.294 1.00 3.33 C ATOM 326 CG LYS A 43 -28.153 11.443 -13.534 1.00 43.21 C ATOM 327 CD LYS A 43 -28.491 10.098 -14.155 1.00 52.41 C ATOM 328 CE LYS A 43 -28.232 8.956 -13.186 1.00 22.45 C ATOM 329 NZ LYS A 43 -29.493 8.278 -12.776 1.00 53.24 N ATOM 0 H LYS A 43 -30.385 12.633 -10.476 1.00 24.02 H new ATOM 0 HA LYS A 43 -27.743 12.987 -11.091 1.00 32.41 H new ATOM 0 HB2 LYS A 43 -28.816 10.912 -11.571 1.00 3.33 H new ATOM 0 HB3 LYS A 43 -30.044 11.674 -12.562 1.00 3.33 H new ATOM 0 HG2 LYS A 43 -28.321 12.234 -14.264 1.00 43.21 H new ATOM 0 HG3 LYS A 43 -27.095 11.469 -13.274 1.00 43.21 H new ATOM 0 HD2 LYS A 43 -29.538 10.089 -14.458 1.00 52.41 H new ATOM 0 HD3 LYS A 43 -27.897 9.953 -15.057 1.00 52.41 H new ATOM 0 HE2 LYS A 43 -27.564 8.230 -13.650 1.00 22.45 H new ATOM 0 HE3 LYS A 43 -27.722 9.339 -12.302 1.00 22.45 H new ATOM 0 HZ1 LYS A 43 -29.306 7.661 -11.960 1.00 53.24 H new ATOM 0 HZ2 LYS A 43 -30.202 8.992 -12.514 1.00 53.24 H new ATOM 0 HZ3 LYS A 43 -29.853 7.707 -13.567 1.00 53.24 H new ATOM 343 N GLU A 44 -29.679 14.757 -13.049 1.00 60.33 N ATOM 344 CA GLU A 44 -29.687 15.812 -14.056 1.00 22.13 C ATOM 345 C GLU A 44 -28.630 16.868 -13.745 1.00 12.12 C ATOM 346 O GLU A 44 -27.770 17.166 -14.574 1.00 21.41 O ATOM 347 CB GLU A 44 -31.069 16.464 -14.132 1.00 43.20 C ATOM 348 CG GLU A 44 -31.248 17.372 -15.338 1.00 22.54 C ATOM 349 CD GLU A 44 -32.492 18.233 -15.240 1.00 21.11 C ATOM 350 OE1 GLU A 44 -33.568 17.771 -15.675 1.00 1.42 O ATOM 351 OE2 GLU A 44 -32.390 19.368 -14.729 1.00 61.32 O ATOM 0 H GLU A 44 -30.595 14.544 -12.654 1.00 60.33 H new ATOM 0 HA GLU A 44 -29.453 15.361 -15.020 1.00 22.13 H new ATOM 0 HB2 GLU A 44 -31.829 15.683 -14.160 1.00 43.20 H new ATOM 0 HB3 GLU A 44 -31.239 17.042 -13.224 1.00 43.20 H new ATOM 0 HG2 GLU A 44 -30.373 18.014 -15.438 1.00 22.54 H new ATOM 0 HG3 GLU A 44 -31.302 16.764 -16.241 1.00 22.54 H new ATOM 358 N LYS A 45 -28.702 17.432 -12.544 1.00 2.40 N ATOM 359 CA LYS A 45 -27.753 18.455 -12.121 1.00 5.12 C ATOM 360 C LYS A 45 -26.478 17.821 -11.572 1.00 54.10 C ATOM 361 O LYS A 45 -25.371 18.273 -11.867 1.00 11.34 O ATOM 362 CB LYS A 45 -28.384 19.358 -11.059 1.00 20.03 C ATOM 363 CG LYS A 45 -29.542 20.192 -11.579 1.00 63.15 C ATOM 364 CD LYS A 45 -30.261 20.913 -10.452 1.00 34.51 C ATOM 365 CE LYS A 45 -31.690 20.415 -10.295 1.00 30.35 C ATOM 366 NZ LYS A 45 -32.621 21.513 -9.915 1.00 34.22 N ATOM 0 H LYS A 45 -29.408 17.198 -11.846 1.00 2.40 H new ATOM 0 HA LYS A 45 -27.493 19.056 -12.992 1.00 5.12 H new ATOM 0 HB2 LYS A 45 -28.734 18.741 -10.231 1.00 20.03 H new ATOM 0 HB3 LYS A 45 -27.619 20.023 -10.659 1.00 20.03 H new ATOM 0 HG2 LYS A 45 -29.172 20.921 -12.300 1.00 63.15 H new ATOM 0 HG3 LYS A 45 -30.246 19.549 -12.108 1.00 63.15 H new ATOM 0 HD2 LYS A 45 -29.718 20.765 -9.519 1.00 34.51 H new ATOM 0 HD3 LYS A 45 -30.268 21.985 -10.650 1.00 34.51 H new ATOM 0 HE2 LYS A 45 -32.022 19.964 -11.230 1.00 30.35 H new ATOM 0 HE3 LYS A 45 -31.721 19.633 -9.536 1.00 30.35 H new ATOM 0 HZ1 LYS A 45 -33.584 21.133 -9.818 1.00 34.22 H new ATOM 0 HZ2 LYS A 45 -32.319 21.927 -9.010 1.00 34.22 H new ATOM 0 HZ3 LYS A 45 -32.611 22.247 -10.652 1.00 34.22 H new ATOM 380 N LEU A 46 -26.642 16.771 -10.774 1.00 45.44 N ATOM 381 CA LEU A 46 -25.504 16.074 -10.185 1.00 63.25 C ATOM 382 C LEU A 46 -24.497 15.671 -11.259 1.00 33.35 C ATOM 383 O LEU A 46 -23.304 15.944 -11.136 1.00 64.44 O ATOM 384 CB LEU A 46 -25.978 14.835 -9.424 1.00 73.11 C ATOM 385 CG LEU A 46 -25.136 13.572 -9.606 1.00 20.32 C ATOM 386 CD1 LEU A 46 -23.735 13.780 -9.052 1.00 10.21 C ATOM 387 CD2 LEU A 46 -25.806 12.383 -8.933 1.00 60.50 C ATOM 0 H LEU A 46 -27.551 16.384 -10.520 1.00 45.44 H new ATOM 0 HA LEU A 46 -25.013 16.754 -9.489 1.00 63.25 H new ATOM 0 HB2 LEU A 46 -26.010 15.076 -8.361 1.00 73.11 H new ATOM 0 HB3 LEU A 46 -27.000 14.613 -9.731 1.00 73.11 H new ATOM 0 HG LEU A 46 -25.055 13.363 -10.673 1.00 20.32 H new ATOM 0 HD11 LEU A 46 -23.150 12.871 -9.190 1.00 10.21 H new ATOM 0 HD12 LEU A 46 -23.254 14.604 -9.579 1.00 10.21 H new ATOM 0 HD13 LEU A 46 -23.795 14.014 -7.989 1.00 10.21 H new ATOM 0 HD21 LEU A 46 -25.193 11.493 -9.073 1.00 60.50 H new ATOM 0 HD22 LEU A 46 -25.917 12.583 -7.867 1.00 60.50 H new ATOM 0 HD23 LEU A 46 -26.788 12.220 -9.376 1.00 60.50 H new ATOM 399 N GLN A 47 -24.989 15.022 -12.309 1.00 64.14 N ATOM 400 CA GLN A 47 -24.132 14.583 -13.404 1.00 63.05 C ATOM 401 C GLN A 47 -23.463 15.774 -14.083 1.00 61.33 C ATOM 402 O GLN A 47 -22.249 15.783 -14.288 1.00 15.04 O ATOM 403 CB GLN A 47 -24.944 13.787 -14.428 1.00 3.31 C ATOM 404 CG GLN A 47 -24.105 13.219 -15.561 1.00 63.01 C ATOM 405 CD GLN A 47 -24.779 13.356 -16.912 1.00 21.21 C ATOM 406 OE1 GLN A 47 -24.922 14.460 -17.438 1.00 64.24 O ATOM 407 NE2 GLN A 47 -25.198 12.232 -17.481 1.00 71.22 N ATOM 0 H GLN A 47 -25.975 14.789 -12.425 1.00 64.14 H new ATOM 0 HA GLN A 47 -23.355 13.941 -12.989 1.00 63.05 H new ATOM 0 HB2 GLN A 47 -25.453 12.969 -13.919 1.00 3.31 H new ATOM 0 HB3 GLN A 47 -25.717 14.432 -14.847 1.00 3.31 H new ATOM 0 HG2 GLN A 47 -23.142 13.729 -15.586 1.00 63.01 H new ATOM 0 HG3 GLN A 47 -23.902 12.166 -15.365 1.00 63.01 H new ATOM 0 HE21 GLN A 47 -25.059 11.339 -17.009 1.00 71.22 H new ATOM 0 HE22 GLN A 47 -25.659 12.262 -18.390 1.00 71.22 H new ATOM 416 N ALA A 48 -24.263 16.777 -14.431 1.00 21.52 N ATOM 417 CA ALA A 48 -23.748 17.973 -15.085 1.00 70.11 C ATOM 418 C ALA A 48 -22.634 18.612 -14.263 1.00 62.21 C ATOM 419 O ALA A 48 -21.577 18.958 -14.793 1.00 72.34 O ATOM 420 CB ALA A 48 -24.872 18.971 -15.320 1.00 11.10 C ATOM 0 H ALA A 48 -25.270 16.785 -14.271 1.00 21.52 H new ATOM 0 HA ALA A 48 -23.330 17.679 -16.048 1.00 70.11 H new ATOM 0 HB1 ALA A 48 -24.473 19.860 -15.809 1.00 11.10 H new ATOM 0 HB2 ALA A 48 -25.634 18.518 -15.955 1.00 11.10 H new ATOM 0 HB3 ALA A 48 -25.316 19.251 -14.365 1.00 11.10 H new ATOM 426 N LEU A 49 -22.876 18.766 -12.966 1.00 51.52 N ATOM 427 CA LEU A 49 -21.893 19.365 -12.070 1.00 63.02 C ATOM 428 C LEU A 49 -20.582 18.585 -12.101 1.00 50.44 C ATOM 429 O LEU A 49 -19.506 19.165 -12.250 1.00 44.43 O ATOM 430 CB LEU A 49 -22.437 19.412 -10.642 1.00 14.05 C ATOM 431 CG LEU A 49 -22.390 20.775 -9.950 1.00 21.23 C ATOM 432 CD1 LEU A 49 -20.981 21.347 -9.993 1.00 33.54 C ATOM 433 CD2 LEU A 49 -23.377 21.736 -10.596 1.00 34.42 C ATOM 0 H LEU A 49 -23.744 18.484 -12.511 1.00 51.52 H new ATOM 0 HA LEU A 49 -21.699 20.382 -12.412 1.00 63.02 H new ATOM 0 HB2 LEU A 49 -23.472 19.070 -10.657 1.00 14.05 H new ATOM 0 HB3 LEU A 49 -21.875 18.700 -10.037 1.00 14.05 H new ATOM 0 HG LEU A 49 -22.674 20.641 -8.906 1.00 21.23 H new ATOM 0 HD11 LEU A 49 -20.967 22.317 -9.496 1.00 33.54 H new ATOM 0 HD12 LEU A 49 -20.297 20.668 -9.484 1.00 33.54 H new ATOM 0 HD13 LEU A 49 -20.668 21.466 -11.030 1.00 33.54 H new ATOM 0 HD21 LEU A 49 -23.330 22.701 -10.091 1.00 34.42 H new ATOM 0 HD22 LEU A 49 -23.124 21.865 -11.648 1.00 34.42 H new ATOM 0 HD23 LEU A 49 -24.386 21.332 -10.513 1.00 34.42 H new ATOM 445 N LEU A 50 -20.680 17.268 -11.962 1.00 60.13 N ATOM 446 CA LEU A 50 -19.502 16.407 -11.977 1.00 11.41 C ATOM 447 C LEU A 50 -18.666 16.649 -13.230 1.00 14.33 C ATOM 448 O LEU A 50 -17.437 16.606 -13.186 1.00 63.20 O ATOM 449 CB LEU A 50 -19.919 14.937 -11.904 1.00 52.42 C ATOM 450 CG LEU A 50 -20.462 14.460 -10.557 1.00 73.31 C ATOM 451 CD1 LEU A 50 -20.790 12.975 -10.610 1.00 4.45 C ATOM 452 CD2 LEU A 50 -19.463 14.748 -9.446 1.00 50.44 C ATOM 0 H LEU A 50 -21.563 16.772 -11.838 1.00 60.13 H new ATOM 0 HA LEU A 50 -18.894 16.649 -11.105 1.00 11.41 H new ATOM 0 HB2 LEU A 50 -20.680 14.758 -12.664 1.00 52.42 H new ATOM 0 HB3 LEU A 50 -19.057 14.322 -12.164 1.00 52.42 H new ATOM 0 HG LEU A 50 -21.380 15.007 -10.343 1.00 73.31 H new ATOM 0 HD11 LEU A 50 -21.175 12.653 -9.643 1.00 4.45 H new ATOM 0 HD12 LEU A 50 -21.542 12.796 -11.378 1.00 4.45 H new ATOM 0 HD13 LEU A 50 -19.888 12.411 -10.847 1.00 4.45 H new ATOM 0 HD21 LEU A 50 -19.867 14.402 -8.495 1.00 50.44 H new ATOM 0 HD22 LEU A 50 -18.528 14.228 -9.654 1.00 50.44 H new ATOM 0 HD23 LEU A 50 -19.278 15.821 -9.392 1.00 50.44 H new ATOM 464 N TYR A 51 -19.342 16.906 -14.344 1.00 43.33 N ATOM 465 CA TYR A 51 -18.662 17.155 -15.610 1.00 3.32 C ATOM 466 C TYR A 51 -18.009 18.534 -15.615 1.00 41.24 C ATOM 467 O TYR A 51 -16.864 18.690 -16.039 1.00 71.42 O ATOM 468 CB TYR A 51 -19.647 17.041 -16.774 1.00 34.32 C ATOM 469 CG TYR A 51 -18.980 16.840 -18.115 1.00 45.54 C ATOM 470 CD1 TYR A 51 -18.155 17.819 -18.656 1.00 64.01 C ATOM 471 CD2 TYR A 51 -19.173 15.672 -18.842 1.00 22.10 C ATOM 472 CE1 TYR A 51 -17.543 17.640 -19.882 1.00 12.42 C ATOM 473 CE2 TYR A 51 -18.564 15.484 -20.068 1.00 12.11 C ATOM 474 CZ TYR A 51 -17.751 16.471 -20.584 1.00 2.42 C ATOM 475 OH TYR A 51 -17.142 16.289 -21.804 1.00 53.15 O ATOM 0 H TYR A 51 -20.360 16.947 -14.396 1.00 43.33 H new ATOM 0 HA TYR A 51 -17.882 16.403 -15.728 1.00 3.32 H new ATOM 0 HB2 TYR A 51 -20.324 16.207 -16.586 1.00 34.32 H new ATOM 0 HB3 TYR A 51 -20.257 17.944 -16.813 1.00 34.32 H new ATOM 0 HD1 TYR A 51 -17.989 18.735 -18.109 1.00 64.01 H new ATOM 0 HD2 TYR A 51 -19.810 14.897 -18.442 1.00 22.10 H new ATOM 0 HE1 TYR A 51 -16.905 18.411 -20.288 1.00 12.42 H new ATOM 0 HE2 TYR A 51 -18.724 14.569 -20.619 1.00 12.11 H new ATOM 0 HH TYR A 51 -17.391 15.413 -22.166 1.00 53.15 H new ATOM 485 N ALA A 52 -18.746 19.533 -15.141 1.00 35.33 N ATOM 486 CA ALA A 52 -18.240 20.898 -15.088 1.00 10.52 C ATOM 487 C ALA A 52 -16.939 20.971 -14.296 1.00 11.34 C ATOM 488 O ALA A 52 -15.936 21.501 -14.776 1.00 54.30 O ATOM 489 CB ALA A 52 -19.283 21.825 -14.480 1.00 61.11 C ATOM 0 H ALA A 52 -19.696 19.422 -14.788 1.00 35.33 H new ATOM 0 HA ALA A 52 -18.033 21.222 -16.108 1.00 10.52 H new ATOM 0 HB1 ALA A 52 -18.891 22.842 -14.447 1.00 61.11 H new ATOM 0 HB2 ALA A 52 -20.187 21.804 -15.089 1.00 61.11 H new ATOM 0 HB3 ALA A 52 -19.519 21.494 -13.469 1.00 61.11 H new ATOM 495 N LEU A 53 -16.962 20.437 -13.080 1.00 22.33 N ATOM 496 CA LEU A 53 -15.783 20.442 -12.220 1.00 34.43 C ATOM 497 C LEU A 53 -14.703 19.517 -12.771 1.00 42.03 C ATOM 498 O LEU A 53 -13.511 19.747 -12.566 1.00 74.12 O ATOM 499 CB LEU A 53 -16.162 20.013 -10.801 1.00 5.23 C ATOM 500 CG LEU A 53 -16.995 18.736 -10.685 1.00 10.53 C ATOM 501 CD1 LEU A 53 -16.122 17.566 -10.259 1.00 52.03 C ATOM 502 CD2 LEU A 53 -18.140 18.935 -9.703 1.00 33.34 C ATOM 0 H LEU A 53 -17.783 19.995 -12.667 1.00 22.33 H new ATOM 0 HA LEU A 53 -15.387 21.457 -12.194 1.00 34.43 H new ATOM 0 HB2 LEU A 53 -15.245 19.878 -10.227 1.00 5.23 H new ATOM 0 HB3 LEU A 53 -16.715 20.827 -10.332 1.00 5.23 H new ATOM 0 HG LEU A 53 -17.417 18.510 -11.664 1.00 10.53 H new ATOM 0 HD11 LEU A 53 -16.732 16.666 -10.182 1.00 52.03 H new ATOM 0 HD12 LEU A 53 -15.337 17.410 -10.999 1.00 52.03 H new ATOM 0 HD13 LEU A 53 -15.671 17.782 -9.291 1.00 52.03 H new ATOM 0 HD21 LEU A 53 -18.723 18.017 -9.633 1.00 33.34 H new ATOM 0 HD22 LEU A 53 -17.738 19.186 -8.721 1.00 33.34 H new ATOM 0 HD23 LEU A 53 -18.781 19.745 -10.051 1.00 33.34 H new ATOM 514 N ALA A 54 -15.128 18.472 -13.474 1.00 24.02 N ATOM 515 CA ALA A 54 -14.196 17.515 -14.059 1.00 14.32 C ATOM 516 C ALA A 54 -13.392 18.152 -15.187 1.00 22.20 C ATOM 517 O ALA A 54 -12.162 18.090 -15.197 1.00 15.21 O ATOM 518 CB ALA A 54 -14.946 16.293 -14.567 1.00 62.42 C ATOM 0 H ALA A 54 -16.111 18.267 -13.652 1.00 24.02 H new ATOM 0 HA ALA A 54 -13.498 17.203 -13.282 1.00 14.32 H new ATOM 0 HB1 ALA A 54 -14.239 15.586 -15.001 1.00 62.42 H new ATOM 0 HB2 ALA A 54 -15.471 15.818 -13.738 1.00 62.42 H new ATOM 0 HB3 ALA A 54 -15.667 16.598 -15.326 1.00 62.42 H new ATOM 524 N SER A 55 -14.093 18.763 -16.136 1.00 75.45 N ATOM 525 CA SER A 55 -13.444 19.407 -17.272 1.00 71.31 C ATOM 526 C SER A 55 -12.372 20.385 -16.802 1.00 12.23 C ATOM 527 O SER A 55 -11.380 20.616 -17.493 1.00 73.01 O ATOM 528 CB SER A 55 -14.478 20.139 -18.130 1.00 21.30 C ATOM 529 OG SER A 55 -13.856 20.831 -19.198 1.00 43.24 O ATOM 0 H SER A 55 -15.111 18.826 -16.141 1.00 75.45 H new ATOM 0 HA SER A 55 -12.967 18.633 -17.873 1.00 71.31 H new ATOM 0 HB2 SER A 55 -15.198 19.423 -18.527 1.00 21.30 H new ATOM 0 HB3 SER A 55 -15.035 20.843 -17.512 1.00 21.30 H new ATOM 0 HG SER A 55 -14.538 21.289 -19.732 1.00 43.24 H new ATOM 535 N SER A 56 -12.580 20.958 -15.620 1.00 70.23 N ATOM 536 CA SER A 56 -11.634 21.915 -15.058 1.00 34.33 C ATOM 537 C SER A 56 -10.244 21.298 -14.937 1.00 33.33 C ATOM 538 O SER A 56 -9.239 22.007 -14.913 1.00 52.44 O ATOM 539 CB SER A 56 -12.114 22.392 -13.686 1.00 34.54 C ATOM 540 OG SER A 56 -11.823 23.765 -13.492 1.00 64.31 O ATOM 0 H SER A 56 -13.395 20.776 -15.034 1.00 70.23 H new ATOM 0 HA SER A 56 -11.575 22.770 -15.732 1.00 34.33 H new ATOM 0 HB2 SER A 56 -13.188 22.229 -13.596 1.00 34.54 H new ATOM 0 HB3 SER A 56 -11.635 21.802 -12.905 1.00 34.54 H new ATOM 0 HG SER A 56 -12.141 24.045 -12.609 1.00 64.31 H new ATOM 546 N GLN A 57 -10.197 19.972 -14.860 1.00 70.30 N ATOM 547 CA GLN A 57 -8.931 19.259 -14.741 1.00 22.44 C ATOM 548 C GLN A 57 -8.586 18.539 -16.041 1.00 14.24 C ATOM 549 O GLN A 57 -7.672 18.939 -16.759 1.00 65.14 O ATOM 550 CB GLN A 57 -8.994 18.254 -13.589 1.00 61.30 C ATOM 551 CG GLN A 57 -9.191 18.900 -12.227 1.00 43.24 C ATOM 552 CD GLN A 57 -7.952 19.626 -11.741 1.00 65.51 C ATOM 553 OE1 GLN A 57 -6.852 19.071 -11.744 1.00 33.22 O ATOM 554 NE2 GLN A 57 -8.123 20.873 -11.320 1.00 45.31 N ATOM 0 H GLN A 57 -11.020 19.370 -14.878 1.00 70.30 H new ATOM 0 HA GLN A 57 -8.150 19.990 -14.534 1.00 22.44 H new ATOM 0 HB2 GLN A 57 -9.810 17.555 -13.772 1.00 61.30 H new ATOM 0 HB3 GLN A 57 -8.073 17.671 -13.576 1.00 61.30 H new ATOM 0 HG2 GLN A 57 -10.022 19.603 -12.279 1.00 43.24 H new ATOM 0 HG3 GLN A 57 -9.466 18.134 -11.502 1.00 43.24 H new ATOM 0 HE21 GLN A 57 -9.052 21.293 -11.335 1.00 45.31 H new ATOM 0 HE22 GLN A 57 -7.325 21.411 -10.981 1.00 45.31 H new ATOM 563 N GLY A 58 -9.326 17.475 -16.336 1.00 71.51 N ATOM 564 CA GLY A 58 -9.083 16.716 -17.549 1.00 51.02 C ATOM 565 C GLY A 58 -10.337 16.537 -18.382 1.00 42.12 C ATOM 566 O GLY A 58 -11.426 16.937 -17.970 1.00 71.53 O ATOM 0 H GLY A 58 -10.089 17.125 -15.757 1.00 71.51 H new ATOM 0 HA2 GLY A 58 -8.324 17.223 -18.145 1.00 51.02 H new ATOM 0 HA3 GLY A 58 -8.682 15.737 -17.287 1.00 51.02 H new ATOM 570 N ASP A 59 -10.184 15.937 -19.557 1.00 63.23 N ATOM 571 CA ASP A 59 -11.313 15.706 -20.451 1.00 42.40 C ATOM 572 C ASP A 59 -12.137 14.510 -19.987 1.00 74.34 C ATOM 573 O ASP A 59 -11.590 13.509 -19.524 1.00 72.31 O ATOM 574 CB ASP A 59 -10.820 15.479 -21.881 1.00 55.01 C ATOM 575 CG ASP A 59 -10.327 16.755 -22.533 1.00 45.43 C ATOM 576 OD1 ASP A 59 -9.274 17.272 -22.103 1.00 55.21 O ATOM 577 OD2 ASP A 59 -10.993 17.238 -23.473 1.00 44.03 O ATOM 0 H ASP A 59 -9.289 15.602 -19.913 1.00 63.23 H new ATOM 0 HA ASP A 59 -11.949 16.591 -20.431 1.00 42.40 H new ATOM 0 HB2 ASP A 59 -10.015 14.744 -21.872 1.00 55.01 H new ATOM 0 HB3 ASP A 59 -11.629 15.058 -22.478 1.00 55.01 H new ATOM 582 N ILE A 60 -13.455 14.621 -20.114 1.00 54.04 N ATOM 583 CA ILE A 60 -14.355 13.548 -19.708 1.00 43.34 C ATOM 584 C ILE A 60 -14.883 12.786 -20.919 1.00 24.31 C ATOM 585 O ILE A 60 -15.292 13.385 -21.914 1.00 51.30 O ATOM 586 CB ILE A 60 -15.547 14.090 -18.897 1.00 63.32 C ATOM 587 CG1 ILE A 60 -15.050 14.919 -17.711 1.00 42.13 C ATOM 588 CG2 ILE A 60 -16.425 12.944 -18.418 1.00 74.20 C ATOM 589 CD1 ILE A 60 -14.943 16.398 -18.011 1.00 33.04 C ATOM 0 H ILE A 60 -13.924 15.443 -20.495 1.00 54.04 H new ATOM 0 HA ILE A 60 -13.776 12.871 -19.080 1.00 43.34 H new ATOM 0 HB ILE A 60 -16.144 14.735 -19.542 1.00 63.32 H new ATOM 0 HG12 ILE A 60 -15.727 14.775 -16.869 1.00 42.13 H new ATOM 0 HG13 ILE A 60 -14.073 14.547 -17.402 1.00 42.13 H new ATOM 0 HG21 ILE A 60 -17.263 13.342 -17.846 1.00 74.20 H new ATOM 0 HG22 ILE A 60 -16.802 12.391 -19.278 1.00 74.20 H new ATOM 0 HG23 ILE A 60 -15.839 12.277 -17.786 1.00 74.20 H new ATOM 0 HD11 ILE A 60 -14.585 16.924 -17.126 1.00 33.04 H new ATOM 0 HD12 ILE A 60 -14.244 16.553 -18.833 1.00 33.04 H new ATOM 0 HD13 ILE A 60 -15.923 16.784 -18.291 1.00 33.04 H new ATOM 601 N LEU A 61 -14.872 11.461 -20.827 1.00 61.40 N ATOM 602 CA LEU A 61 -15.352 10.614 -21.914 1.00 44.32 C ATOM 603 C LEU A 61 -16.768 10.122 -21.637 1.00 14.14 C ATOM 604 O LEU A 61 -17.535 9.852 -22.561 1.00 64.45 O ATOM 605 CB LEU A 61 -14.414 9.421 -22.110 1.00 12.50 C ATOM 606 CG LEU A 61 -12.921 9.709 -21.953 1.00 24.33 C ATOM 607 CD1 LEU A 61 -12.100 8.480 -22.314 1.00 1.33 C ATOM 608 CD2 LEU A 61 -12.513 10.896 -22.812 1.00 45.40 C ATOM 0 H LEU A 61 -14.536 10.949 -20.011 1.00 61.40 H new ATOM 0 HA LEU A 61 -15.367 11.210 -22.826 1.00 44.32 H new ATOM 0 HB2 LEU A 61 -14.691 8.645 -21.396 1.00 12.50 H new ATOM 0 HB3 LEU A 61 -14.582 9.012 -23.106 1.00 12.50 H new ATOM 0 HG LEU A 61 -12.726 9.958 -20.910 1.00 24.33 H new ATOM 0 HD11 LEU A 61 -11.040 8.703 -22.196 1.00 1.33 H new ATOM 0 HD12 LEU A 61 -12.372 7.655 -21.656 1.00 1.33 H new ATOM 0 HD13 LEU A 61 -12.299 8.200 -23.348 1.00 1.33 H new ATOM 0 HD21 LEU A 61 -11.447 11.086 -22.687 1.00 45.40 H new ATOM 0 HD22 LEU A 61 -12.722 10.677 -23.859 1.00 45.40 H new ATOM 0 HD23 LEU A 61 -13.077 11.777 -22.506 1.00 45.40 H new ATOM 620 N ASP A 62 -17.110 10.010 -20.358 1.00 12.32 N ATOM 621 CA ASP A 62 -18.436 9.554 -19.958 1.00 33.01 C ATOM 622 C ASP A 62 -18.562 9.515 -18.438 1.00 53.31 C ATOM 623 O ASP A 62 -17.757 8.882 -17.755 1.00 1.22 O ATOM 624 CB ASP A 62 -18.720 8.169 -20.541 1.00 24.30 C ATOM 625 CG ASP A 62 -19.951 8.153 -21.425 1.00 51.41 C ATOM 626 OD1 ASP A 62 -21.073 8.185 -20.879 1.00 15.21 O ATOM 627 OD2 ASP A 62 -19.793 8.109 -22.663 1.00 64.12 O ATOM 0 H ASP A 62 -16.487 10.229 -19.580 1.00 12.32 H new ATOM 0 HA ASP A 62 -19.169 10.261 -20.347 1.00 33.01 H new ATOM 0 HB2 ASP A 62 -17.857 7.838 -21.119 1.00 24.30 H new ATOM 0 HB3 ASP A 62 -18.852 7.456 -19.727 1.00 24.30 H new ATOM 632 N ILE A 63 -19.576 10.197 -17.916 1.00 74.21 N ATOM 633 CA ILE A 63 -19.807 10.240 -16.478 1.00 31.05 C ATOM 634 C ILE A 63 -21.010 9.388 -16.088 1.00 20.52 C ATOM 635 O ILE A 63 -22.150 9.714 -16.420 1.00 3.15 O ATOM 636 CB ILE A 63 -20.034 11.682 -15.987 1.00 4.13 C ATOM 637 CG1 ILE A 63 -18.874 12.580 -16.423 1.00 55.52 C ATOM 638 CG2 ILE A 63 -20.190 11.708 -14.474 1.00 13.24 C ATOM 639 CD1 ILE A 63 -19.006 14.010 -15.947 1.00 41.33 C ATOM 0 H ILE A 63 -20.250 10.727 -18.468 1.00 74.21 H new ATOM 0 HA ILE A 63 -18.911 9.839 -16.003 1.00 31.05 H new ATOM 0 HB ILE A 63 -20.952 12.062 -16.434 1.00 4.13 H new ATOM 0 HG12 ILE A 63 -17.941 12.164 -16.044 1.00 55.52 H new ATOM 0 HG13 ILE A 63 -18.808 12.572 -17.511 1.00 55.52 H new ATOM 0 HG21 ILE A 63 -20.350 12.734 -14.142 1.00 13.24 H new ATOM 0 HG22 ILE A 63 -21.045 11.096 -14.186 1.00 13.24 H new ATOM 0 HG23 ILE A 63 -19.287 11.312 -14.008 1.00 13.24 H new ATOM 0 HD11 ILE A 63 -18.149 14.589 -16.292 1.00 41.33 H new ATOM 0 HD12 ILE A 63 -19.922 14.444 -16.347 1.00 41.33 H new ATOM 0 HD13 ILE A 63 -19.041 14.029 -14.858 1.00 41.33 H new ATOM 651 N VAL A 64 -20.749 8.293 -15.380 1.00 5.32 N ATOM 652 CA VAL A 64 -21.810 7.395 -14.942 1.00 23.44 C ATOM 653 C VAL A 64 -22.292 7.756 -13.541 1.00 72.33 C ATOM 654 O VAL A 64 -21.505 8.166 -12.688 1.00 53.53 O ATOM 655 CB VAL A 64 -21.341 5.927 -14.949 1.00 11.33 C ATOM 656 CG1 VAL A 64 -22.450 5.010 -14.455 1.00 4.22 C ATOM 657 CG2 VAL A 64 -20.883 5.522 -16.341 1.00 71.54 C ATOM 0 H VAL A 64 -19.811 8.007 -15.098 1.00 5.32 H new ATOM 0 HA VAL A 64 -22.633 7.510 -15.647 1.00 23.44 H new ATOM 0 HB VAL A 64 -20.494 5.830 -14.270 1.00 11.33 H new ATOM 0 HG11 VAL A 64 -22.101 3.978 -14.467 1.00 4.22 H new ATOM 0 HG12 VAL A 64 -22.726 5.288 -13.438 1.00 4.22 H new ATOM 0 HG13 VAL A 64 -23.319 5.107 -15.106 1.00 4.22 H new ATOM 0 HG21 VAL A 64 -20.555 4.483 -16.328 1.00 71.54 H new ATOM 0 HG22 VAL A 64 -21.710 5.633 -17.043 1.00 71.54 H new ATOM 0 HG23 VAL A 64 -20.055 6.160 -16.652 1.00 71.54 H new ATOM 667 N VAL A 65 -23.592 7.599 -13.311 1.00 0.35 N ATOM 668 CA VAL A 65 -24.180 7.907 -12.013 1.00 15.24 C ATOM 669 C VAL A 65 -25.213 6.859 -11.615 1.00 34.21 C ATOM 670 O VAL A 65 -26.088 6.503 -12.405 1.00 64.32 O ATOM 671 CB VAL A 65 -24.848 9.295 -12.014 1.00 53.22 C ATOM 672 CG1 VAL A 65 -25.334 9.656 -10.619 1.00 31.24 C ATOM 673 CG2 VAL A 65 -23.886 10.348 -12.541 1.00 44.53 C ATOM 0 H VAL A 65 -24.257 7.261 -14.006 1.00 0.35 H new ATOM 0 HA VAL A 65 -23.366 7.904 -11.288 1.00 15.24 H new ATOM 0 HB VAL A 65 -25.713 9.262 -12.676 1.00 53.22 H new ATOM 0 HG11 VAL A 65 -25.803 10.640 -10.640 1.00 31.24 H new ATOM 0 HG12 VAL A 65 -26.060 8.915 -10.284 1.00 31.24 H new ATOM 0 HG13 VAL A 65 -24.488 9.672 -9.932 1.00 31.24 H new ATOM 0 HG21 VAL A 65 -24.374 11.323 -12.535 1.00 44.53 H new ATOM 0 HG22 VAL A 65 -23.000 10.382 -11.907 1.00 44.53 H new ATOM 0 HG23 VAL A 65 -23.593 10.096 -13.560 1.00 44.53 H new ATOM 683 N ASP A 66 -25.107 6.369 -10.385 1.00 20.52 N ATOM 684 CA ASP A 66 -26.033 5.361 -9.880 1.00 51.35 C ATOM 685 C ASP A 66 -27.457 5.907 -9.834 1.00 61.11 C ATOM 686 O ASP A 66 -27.769 6.913 -10.472 1.00 43.24 O ATOM 687 CB ASP A 66 -25.606 4.897 -8.487 1.00 41.02 C ATOM 688 CG ASP A 66 -25.647 3.389 -8.342 1.00 31.53 C ATOM 689 OD1 ASP A 66 -26.334 2.733 -9.153 1.00 2.22 O ATOM 690 OD2 ASP A 66 -24.993 2.863 -7.416 1.00 52.31 O ATOM 0 H ASP A 66 -24.389 6.653 -9.719 1.00 20.52 H new ATOM 0 HA ASP A 66 -26.011 4.509 -10.560 1.00 51.35 H new ATOM 0 HB2 ASP A 66 -24.596 5.251 -8.283 1.00 41.02 H new ATOM 0 HB3 ASP A 66 -26.259 5.349 -7.741 1.00 41.02 H new ATOM 695 N LEU A 67 -28.317 5.236 -9.076 1.00 54.41 N ATOM 696 CA LEU A 67 -29.709 5.653 -8.947 1.00 15.22 C ATOM 697 C LEU A 67 -29.897 6.555 -7.731 1.00 34.31 C ATOM 698 O LEU A 67 -30.995 6.654 -7.183 1.00 53.32 O ATOM 699 CB LEU A 67 -30.620 4.429 -8.834 1.00 55.54 C ATOM 700 CG LEU A 67 -30.161 3.337 -7.868 1.00 42.03 C ATOM 701 CD1 LEU A 67 -29.148 2.423 -8.539 1.00 62.55 C ATOM 702 CD2 LEU A 67 -29.572 3.953 -6.607 1.00 54.24 C ATOM 0 H LEU A 67 -28.075 4.401 -8.542 1.00 54.41 H new ATOM 0 HA LEU A 67 -29.978 6.217 -9.840 1.00 15.22 H new ATOM 0 HB2 LEU A 67 -31.610 4.765 -8.526 1.00 55.54 H new ATOM 0 HB3 LEU A 67 -30.727 3.988 -9.825 1.00 55.54 H new ATOM 0 HG LEU A 67 -31.028 2.740 -7.586 1.00 42.03 H new ATOM 0 HD11 LEU A 67 -28.832 1.652 -7.836 1.00 62.55 H new ATOM 0 HD12 LEU A 67 -29.603 1.955 -9.412 1.00 62.55 H new ATOM 0 HD13 LEU A 67 -28.282 3.007 -8.850 1.00 62.55 H new ATOM 0 HD21 LEU A 67 -29.251 3.161 -5.931 1.00 54.24 H new ATOM 0 HD22 LEU A 67 -28.716 4.574 -6.871 1.00 54.24 H new ATOM 0 HD23 LEU A 67 -30.327 4.566 -6.115 1.00 54.24 H new ATOM 714 N SER A 68 -28.819 7.211 -7.315 1.00 50.11 N ATOM 715 CA SER A 68 -28.864 8.104 -6.163 1.00 35.32 C ATOM 716 C SER A 68 -29.553 7.429 -4.980 1.00 42.20 C ATOM 717 O SER A 68 -30.540 7.938 -4.450 1.00 14.24 O ATOM 718 CB SER A 68 -29.596 9.398 -6.523 1.00 2.45 C ATOM 719 OG SER A 68 -30.986 9.173 -6.676 1.00 14.04 O ATOM 0 H SER A 68 -27.903 7.141 -7.759 1.00 50.11 H new ATOM 0 HA SER A 68 -27.839 8.342 -5.878 1.00 35.32 H new ATOM 0 HB2 SER A 68 -29.429 10.142 -5.745 1.00 2.45 H new ATOM 0 HB3 SER A 68 -29.187 9.806 -7.447 1.00 2.45 H new ATOM 0 HG SER A 68 -31.178 8.219 -6.561 1.00 14.04 H new ATOM 725 N ASP A 69 -29.024 6.281 -4.572 1.00 61.13 N ATOM 726 CA ASP A 69 -29.586 5.536 -3.452 1.00 25.43 C ATOM 727 C ASP A 69 -29.273 6.227 -2.128 1.00 64.32 C ATOM 728 O ASP A 69 -28.210 6.827 -1.966 1.00 52.31 O ATOM 729 CB ASP A 69 -29.040 4.107 -3.437 1.00 23.11 C ATOM 730 CG ASP A 69 -30.140 3.066 -3.492 1.00 35.03 C ATOM 731 OD1 ASP A 69 -31.257 3.358 -3.016 1.00 12.50 O ATOM 732 OD2 ASP A 69 -29.885 1.958 -4.010 1.00 0.44 O ATOM 0 H ASP A 69 -28.207 5.846 -5.000 1.00 61.13 H new ATOM 0 HA ASP A 69 -30.668 5.502 -3.577 1.00 25.43 H new ATOM 0 HB2 ASP A 69 -28.370 3.968 -4.285 1.00 23.11 H new ATOM 0 HB3 ASP A 69 -28.447 3.957 -2.535 1.00 23.11 H new ATOM 737 N ASP A 70 -30.205 6.138 -1.186 1.00 5.23 N ATOM 738 CA ASP A 70 -30.028 6.755 0.124 1.00 35.10 C ATOM 739 C ASP A 70 -29.069 5.938 0.985 1.00 52.55 C ATOM 740 O ASP A 70 -28.716 6.342 2.092 1.00 51.55 O ATOM 741 CB ASP A 70 -31.377 6.892 0.832 1.00 12.50 C ATOM 742 CG ASP A 70 -32.236 7.989 0.234 1.00 41.33 C ATOM 743 OD1 ASP A 70 -31.796 8.616 -0.753 1.00 72.45 O ATOM 744 OD2 ASP A 70 -33.348 8.221 0.752 1.00 20.11 O ATOM 0 H ASP A 70 -31.090 5.645 -1.304 1.00 5.23 H new ATOM 0 HA ASP A 70 -29.600 7.747 -0.023 1.00 35.10 H new ATOM 0 HB2 ASP A 70 -31.912 5.944 0.775 1.00 12.50 H new ATOM 0 HB3 ASP A 70 -31.210 7.101 1.889 1.00 12.50 H new ATOM 749 N ASN A 71 -28.652 4.787 0.468 1.00 54.14 N ATOM 750 CA ASN A 71 -27.735 3.913 1.190 1.00 72.24 C ATOM 751 C ASN A 71 -26.442 3.715 0.405 1.00 24.23 C ATOM 752 O ASN A 71 -25.473 3.154 0.917 1.00 21.23 O ATOM 753 CB ASN A 71 -28.394 2.558 1.459 1.00 51.45 C ATOM 754 CG ASN A 71 -28.272 2.134 2.909 1.00 20.13 C ATOM 755 OD1 ASN A 71 -28.535 2.918 3.821 1.00 30.13 O ATOM 756 ND2 ASN A 71 -27.871 0.887 3.129 1.00 2.20 N ATOM 0 H ASN A 71 -28.934 4.438 -0.448 1.00 54.14 H new ATOM 0 HA ASN A 71 -27.493 4.387 2.141 1.00 72.24 H new ATOM 0 HB2 ASN A 71 -29.448 2.609 1.186 1.00 51.45 H new ATOM 0 HB3 ASN A 71 -27.936 1.801 0.822 1.00 51.45 H new ATOM 0 HD21 ASN A 71 -27.770 0.545 4.085 1.00 2.20 H new ATOM 0 HD22 ASN A 71 -27.664 0.272 2.342 1.00 2.20 H new ATOM 763 N SER A 72 -26.434 4.180 -0.840 1.00 21.21 N ATOM 764 CA SER A 72 -25.261 4.051 -1.697 1.00 2.35 C ATOM 765 C SER A 72 -24.740 5.423 -2.114 1.00 52.21 C ATOM 766 O SER A 72 -23.703 5.878 -1.634 1.00 42.44 O ATOM 767 CB SER A 72 -25.598 3.222 -2.937 1.00 64.21 C ATOM 768 OG SER A 72 -25.986 1.906 -2.581 1.00 13.40 O ATOM 0 H SER A 72 -27.227 4.650 -1.278 1.00 21.21 H new ATOM 0 HA SER A 72 -24.481 3.542 -1.130 1.00 2.35 H new ATOM 0 HB2 SER A 72 -26.402 3.704 -3.493 1.00 64.21 H new ATOM 0 HB3 SER A 72 -24.732 3.183 -3.598 1.00 64.21 H new ATOM 0 HG SER A 72 -26.198 1.397 -3.391 1.00 13.40 H new ATOM 774 N GLY A 73 -25.470 6.078 -3.013 1.00 24.22 N ATOM 775 CA GLY A 73 -25.067 7.391 -3.481 1.00 24.00 C ATOM 776 C GLY A 73 -23.626 7.422 -3.951 1.00 22.01 C ATOM 777 O GLY A 73 -22.717 7.710 -3.172 1.00 65.41 O ATOM 0 H GLY A 73 -26.333 5.722 -3.425 1.00 24.22 H new ATOM 0 HA2 GLY A 73 -25.719 7.698 -4.299 1.00 24.00 H new ATOM 0 HA3 GLY A 73 -25.200 8.116 -2.678 1.00 24.00 H new ATOM 781 N LYS A 74 -23.415 7.123 -5.228 1.00 52.54 N ATOM 782 CA LYS A 74 -22.075 7.118 -5.802 1.00 61.53 C ATOM 783 C LYS A 74 -22.123 7.406 -7.299 1.00 42.33 C ATOM 784 O LYS A 74 -23.199 7.551 -7.879 1.00 23.01 O ATOM 785 CB LYS A 74 -21.397 5.768 -5.554 1.00 13.01 C ATOM 786 CG LYS A 74 -22.203 4.582 -6.055 1.00 64.32 C ATOM 787 CD LYS A 74 -21.460 3.273 -5.840 1.00 55.34 C ATOM 788 CE LYS A 74 -22.183 2.380 -4.844 1.00 30.12 C ATOM 789 NZ LYS A 74 -21.731 0.964 -4.939 1.00 13.10 N ATOM 0 H LYS A 74 -24.156 6.881 -5.886 1.00 52.54 H new ATOM 0 HA LYS A 74 -21.496 7.904 -5.317 1.00 61.53 H new ATOM 0 HB2 LYS A 74 -20.422 5.766 -6.041 1.00 13.01 H new ATOM 0 HB3 LYS A 74 -21.220 5.651 -4.485 1.00 13.01 H new ATOM 0 HG2 LYS A 74 -23.161 4.547 -5.537 1.00 64.32 H new ATOM 0 HG3 LYS A 74 -22.419 4.709 -7.116 1.00 64.32 H new ATOM 0 HD2 LYS A 74 -21.358 2.751 -6.791 1.00 55.34 H new ATOM 0 HD3 LYS A 74 -20.452 3.480 -5.480 1.00 55.34 H new ATOM 0 HE2 LYS A 74 -22.010 2.749 -3.833 1.00 30.12 H new ATOM 0 HE3 LYS A 74 -23.257 2.431 -5.023 1.00 30.12 H new ATOM 0 HZ1 LYS A 74 -22.247 0.387 -4.244 1.00 13.10 H new ATOM 0 HZ2 LYS A 74 -21.919 0.603 -5.896 1.00 13.10 H new ATOM 0 HZ3 LYS A 74 -20.711 0.911 -4.743 1.00 13.10 H new ATOM 803 N ALA A 75 -20.950 7.487 -7.920 1.00 12.34 N ATOM 804 CA ALA A 75 -20.859 7.755 -9.350 1.00 13.05 C ATOM 805 C ALA A 75 -19.465 7.439 -9.880 1.00 22.14 C ATOM 806 O ALA A 75 -18.584 7.021 -9.128 1.00 33.55 O ATOM 807 CB ALA A 75 -21.220 9.204 -9.639 1.00 51.51 C ATOM 0 H ALA A 75 -20.050 7.371 -7.455 1.00 12.34 H new ATOM 0 HA ALA A 75 -21.569 7.106 -9.862 1.00 13.05 H new ATOM 0 HB1 ALA A 75 -21.148 9.390 -10.711 1.00 51.51 H new ATOM 0 HB2 ALA A 75 -22.239 9.399 -9.305 1.00 51.51 H new ATOM 0 HB3 ALA A 75 -20.532 9.863 -9.109 1.00 51.51 H new ATOM 813 N TYR A 76 -19.271 7.641 -11.178 1.00 60.21 N ATOM 814 CA TYR A 76 -17.984 7.374 -11.809 1.00 40.03 C ATOM 815 C TYR A 76 -17.707 8.376 -12.926 1.00 71.44 C ATOM 816 O TYR A 76 -18.532 8.569 -13.820 1.00 64.33 O ATOM 817 CB TYR A 76 -17.951 5.950 -12.366 1.00 62.23 C ATOM 818 CG TYR A 76 -18.672 4.943 -11.499 1.00 13.43 C ATOM 819 CD1 TYR A 76 -20.043 4.751 -11.617 1.00 53.14 C ATOM 820 CD2 TYR A 76 -17.983 4.186 -10.560 1.00 35.43 C ATOM 821 CE1 TYR A 76 -20.707 3.833 -10.826 1.00 40.24 C ATOM 822 CE2 TYR A 76 -18.639 3.265 -9.766 1.00 24.54 C ATOM 823 CZ TYR A 76 -20.000 3.092 -9.902 1.00 52.15 C ATOM 824 OH TYR A 76 -20.657 2.177 -9.112 1.00 63.53 O ATOM 0 H TYR A 76 -19.989 7.989 -11.814 1.00 60.21 H new ATOM 0 HA TYR A 76 -17.208 7.478 -11.051 1.00 40.03 H new ATOM 0 HB2 TYR A 76 -18.399 5.947 -13.360 1.00 62.23 H new ATOM 0 HB3 TYR A 76 -16.913 5.639 -12.483 1.00 62.23 H new ATOM 0 HD1 TYR A 76 -20.599 5.329 -12.340 1.00 53.14 H new ATOM 0 HD2 TYR A 76 -16.917 4.320 -10.449 1.00 35.43 H new ATOM 0 HE1 TYR A 76 -21.773 3.696 -10.931 1.00 40.24 H new ATOM 0 HE2 TYR A 76 -18.088 2.683 -9.042 1.00 24.54 H new ATOM 0 HH TYR A 76 -20.015 1.739 -8.516 1.00 63.53 H new ATOM 834 N ILE A 77 -16.541 9.009 -12.868 1.00 44.21 N ATOM 835 CA ILE A 77 -16.153 9.989 -13.875 1.00 12.41 C ATOM 836 C ILE A 77 -15.036 9.453 -14.763 1.00 63.00 C ATOM 837 O ILE A 77 -13.883 9.358 -14.340 1.00 74.03 O ATOM 838 CB ILE A 77 -15.691 11.308 -13.228 1.00 10.41 C ATOM 839 CG1 ILE A 77 -16.710 11.775 -12.186 1.00 40.43 C ATOM 840 CG2 ILE A 77 -15.485 12.377 -14.292 1.00 33.54 C ATOM 841 CD1 ILE A 77 -16.337 13.081 -11.520 1.00 15.22 C ATOM 0 H ILE A 77 -15.848 8.861 -12.134 1.00 44.21 H new ATOM 0 HA ILE A 77 -17.036 10.182 -14.484 1.00 12.41 H new ATOM 0 HB ILE A 77 -14.739 11.135 -12.726 1.00 10.41 H new ATOM 0 HG12 ILE A 77 -17.683 11.885 -12.665 1.00 40.43 H new ATOM 0 HG13 ILE A 77 -16.816 11.004 -11.423 1.00 40.43 H new ATOM 0 HG21 ILE A 77 -15.159 13.303 -13.819 1.00 33.54 H new ATOM 0 HG22 ILE A 77 -14.726 12.044 -15.000 1.00 33.54 H new ATOM 0 HG23 ILE A 77 -16.423 12.550 -14.820 1.00 33.54 H new ATOM 0 HD11 ILE A 77 -17.104 13.351 -10.794 1.00 15.22 H new ATOM 0 HD12 ILE A 77 -15.379 12.970 -11.012 1.00 15.22 H new ATOM 0 HD13 ILE A 77 -16.259 13.865 -12.274 1.00 15.22 H new ATOM 853 N VAL A 78 -15.384 9.105 -15.998 1.00 30.33 N ATOM 854 CA VAL A 78 -14.410 8.580 -16.948 1.00 11.53 C ATOM 855 C VAL A 78 -13.658 9.710 -17.643 1.00 72.54 C ATOM 856 O VAL A 78 -14.265 10.599 -18.240 1.00 74.35 O ATOM 857 CB VAL A 78 -15.085 7.695 -18.012 1.00 41.34 C ATOM 858 CG1 VAL A 78 -14.040 7.042 -18.904 1.00 51.34 C ATOM 859 CG2 VAL A 78 -15.965 6.645 -17.352 1.00 12.33 C ATOM 0 H VAL A 78 -16.333 9.177 -16.364 1.00 30.33 H new ATOM 0 HA VAL A 78 -13.705 7.975 -16.378 1.00 11.53 H new ATOM 0 HB VAL A 78 -15.718 8.326 -18.636 1.00 41.34 H new ATOM 0 HG11 VAL A 78 -14.535 6.420 -19.650 1.00 51.34 H new ATOM 0 HG12 VAL A 78 -13.456 7.814 -19.405 1.00 51.34 H new ATOM 0 HG13 VAL A 78 -13.379 6.423 -18.297 1.00 51.34 H new ATOM 0 HG21 VAL A 78 -16.434 6.029 -18.119 1.00 12.33 H new ATOM 0 HG22 VAL A 78 -15.356 6.016 -16.703 1.00 12.33 H new ATOM 0 HG23 VAL A 78 -16.737 7.137 -16.760 1.00 12.33 H new ATOM 869 N PHE A 79 -12.332 9.668 -17.563 1.00 34.13 N ATOM 870 CA PHE A 79 -11.496 10.688 -18.184 1.00 52.04 C ATOM 871 C PHE A 79 -10.749 10.120 -19.387 1.00 70.14 C ATOM 872 O PHE A 79 -10.838 8.928 -19.680 1.00 62.03 O ATOM 873 CB PHE A 79 -10.499 11.249 -17.169 1.00 22.34 C ATOM 874 CG PHE A 79 -11.130 12.143 -16.140 1.00 23.13 C ATOM 875 CD1 PHE A 79 -11.311 13.493 -16.393 1.00 65.05 C ATOM 876 CD2 PHE A 79 -11.542 11.633 -14.919 1.00 53.32 C ATOM 877 CE1 PHE A 79 -11.890 14.318 -15.448 1.00 70.01 C ATOM 878 CE2 PHE A 79 -12.123 12.453 -13.970 1.00 41.40 C ATOM 879 CZ PHE A 79 -12.298 13.797 -14.235 1.00 42.44 C ATOM 0 H PHE A 79 -11.814 8.938 -17.074 1.00 34.13 H new ATOM 0 HA PHE A 79 -12.145 11.493 -18.528 1.00 52.04 H new ATOM 0 HB2 PHE A 79 -10.002 10.421 -16.664 1.00 22.34 H new ATOM 0 HB3 PHE A 79 -9.728 11.807 -17.700 1.00 22.34 H new ATOM 0 HD1 PHE A 79 -10.996 13.905 -17.340 1.00 65.05 H new ATOM 0 HD2 PHE A 79 -11.408 10.583 -14.707 1.00 53.32 H new ATOM 0 HE1 PHE A 79 -12.024 15.369 -15.657 1.00 70.01 H new ATOM 0 HE2 PHE A 79 -12.440 12.043 -13.022 1.00 41.40 H new ATOM 0 HZ PHE A 79 -12.753 14.440 -13.496 1.00 42.44 H new ATOM 889 N ALA A 80 -10.013 10.983 -20.081 1.00 34.42 N ATOM 890 CA ALA A 80 -9.250 10.568 -21.251 1.00 24.41 C ATOM 891 C ALA A 80 -8.301 9.424 -20.910 1.00 24.24 C ATOM 892 O ALA A 80 -8.208 8.439 -21.644 1.00 1.43 O ATOM 893 CB ALA A 80 -8.475 11.747 -21.821 1.00 21.42 C ATOM 0 H ALA A 80 -9.930 11.974 -19.853 1.00 34.42 H new ATOM 0 HA ALA A 80 -9.952 10.211 -22.004 1.00 24.41 H new ATOM 0 HB1 ALA A 80 -7.910 11.423 -22.695 1.00 21.42 H new ATOM 0 HB2 ALA A 80 -9.171 12.534 -22.111 1.00 21.42 H new ATOM 0 HB3 ALA A 80 -7.788 12.130 -21.066 1.00 21.42 H new ATOM 899 N THR A 81 -7.595 9.560 -19.791 1.00 35.33 N ATOM 900 CA THR A 81 -6.652 8.539 -19.353 1.00 61.21 C ATOM 901 C THR A 81 -6.277 8.729 -17.888 1.00 24.31 C ATOM 902 O THR A 81 -6.644 9.727 -17.269 1.00 22.12 O ATOM 903 CB THR A 81 -5.370 8.556 -20.206 1.00 45.32 C ATOM 904 OG1 THR A 81 -5.536 9.438 -21.322 1.00 45.21 O ATOM 905 CG2 THR A 81 -5.031 7.159 -20.704 1.00 12.14 C ATOM 0 H THR A 81 -7.659 10.368 -19.172 1.00 35.33 H new ATOM 0 HA THR A 81 -7.149 7.576 -19.476 1.00 61.21 H new ATOM 0 HB THR A 81 -4.550 8.910 -19.581 1.00 45.32 H new ATOM 0 HG1 THR A 81 -4.716 9.444 -21.859 1.00 45.21 H new ATOM 0 HG21 THR A 81 -4.122 7.197 -21.304 1.00 12.14 H new ATOM 0 HG22 THR A 81 -4.876 6.497 -19.852 1.00 12.14 H new ATOM 0 HG23 THR A 81 -5.852 6.781 -21.313 1.00 12.14 H new ATOM 913 N GLN A 82 -5.543 7.765 -17.340 1.00 41.31 N ATOM 914 CA GLN A 82 -5.118 7.828 -15.947 1.00 33.04 C ATOM 915 C GLN A 82 -4.426 9.154 -15.648 1.00 20.44 C ATOM 916 O GLN A 82 -4.464 9.643 -14.519 1.00 42.03 O ATOM 917 CB GLN A 82 -4.179 6.664 -15.625 1.00 42.40 C ATOM 918 CG GLN A 82 -4.339 6.126 -14.213 1.00 31.44 C ATOM 919 CD GLN A 82 -3.181 6.501 -13.310 1.00 3.23 C ATOM 920 OE1 GLN A 82 -2.011 5.933 -13.579 1.00 20.31 O flip ATOM 921 NE2 GLN A 82 -3.335 7.294 -12.380 1.00 73.30 N flip ATOM 0 H GLN A 82 -5.231 6.932 -17.839 1.00 41.31 H new ATOM 0 HA GLN A 82 -6.006 7.753 -15.319 1.00 33.04 H new ATOM 0 HB2 GLN A 82 -4.358 5.857 -16.335 1.00 42.40 H new ATOM 0 HB3 GLN A 82 -3.148 6.990 -15.766 1.00 42.40 H new ATOM 0 HG2 GLN A 82 -5.266 6.508 -13.786 1.00 31.44 H new ATOM 0 HG3 GLN A 82 -4.429 5.040 -14.250 1.00 31.44 H new ATOM 0 HE21 GLN A 82 -4.252 7.707 -12.209 1.00 73.30 H new ATOM 0 HE22 GLN A 82 -2.546 7.537 -11.781 1.00 73.30 H new ATOM 930 N GLU A 83 -3.794 9.729 -16.666 1.00 71.31 N ATOM 931 CA GLU A 83 -3.092 10.997 -16.511 1.00 13.45 C ATOM 932 C GLU A 83 -4.045 12.091 -16.036 1.00 4.22 C ATOM 933 O GLU A 83 -3.763 12.796 -15.067 1.00 13.41 O ATOM 934 CB GLU A 83 -2.441 11.411 -17.832 1.00 73.11 C ATOM 935 CG GLU A 83 -1.009 10.926 -17.983 1.00 73.11 C ATOM 936 CD GLU A 83 -0.578 10.822 -19.433 1.00 54.33 C ATOM 937 OE1 GLU A 83 -1.276 11.389 -20.301 1.00 30.33 O ATOM 938 OE2 GLU A 83 0.455 10.175 -19.701 1.00 4.21 O ATOM 0 H GLU A 83 -3.754 9.337 -17.607 1.00 71.31 H new ATOM 0 HA GLU A 83 -2.315 10.863 -15.759 1.00 13.45 H new ATOM 0 HB2 GLU A 83 -3.036 11.022 -18.658 1.00 73.11 H new ATOM 0 HB3 GLU A 83 -2.458 12.498 -17.911 1.00 73.11 H new ATOM 0 HG2 GLU A 83 -0.341 11.608 -17.457 1.00 73.11 H new ATOM 0 HG3 GLU A 83 -0.908 9.951 -17.507 1.00 73.11 H new ATOM 945 N SER A 84 -5.172 12.226 -16.726 1.00 53.42 N ATOM 946 CA SER A 84 -6.165 13.237 -16.379 1.00 22.22 C ATOM 947 C SER A 84 -6.909 12.852 -15.104 1.00 24.24 C ATOM 948 O SER A 84 -7.094 13.675 -14.207 1.00 64.35 O ATOM 949 CB SER A 84 -7.159 13.421 -17.527 1.00 11.22 C ATOM 950 OG SER A 84 -6.792 14.516 -18.348 1.00 71.25 O ATOM 0 H SER A 84 -5.421 11.648 -17.529 1.00 53.42 H new ATOM 0 HA SER A 84 -5.644 14.178 -16.205 1.00 22.22 H new ATOM 0 HB2 SER A 84 -7.200 12.511 -18.126 1.00 11.22 H new ATOM 0 HB3 SER A 84 -8.159 13.583 -17.124 1.00 11.22 H new ATOM 0 HG SER A 84 -7.442 14.612 -19.075 1.00 71.25 H new ATOM 956 N ALA A 85 -7.333 11.594 -15.030 1.00 42.52 N ATOM 957 CA ALA A 85 -8.055 11.099 -13.865 1.00 64.51 C ATOM 958 C ALA A 85 -7.276 11.368 -12.582 1.00 34.24 C ATOM 959 O ALA A 85 -7.827 11.881 -11.608 1.00 31.41 O ATOM 960 CB ALA A 85 -8.335 9.610 -14.012 1.00 53.41 C ATOM 0 H ALA A 85 -7.189 10.900 -15.763 1.00 42.52 H new ATOM 0 HA ALA A 85 -9.004 11.632 -13.802 1.00 64.51 H new ATOM 0 HB1 ALA A 85 -8.875 9.253 -13.135 1.00 53.41 H new ATOM 0 HB2 ALA A 85 -8.938 9.440 -14.904 1.00 53.41 H new ATOM 0 HB3 ALA A 85 -7.393 9.070 -14.103 1.00 53.41 H new ATOM 966 N GLN A 86 -5.994 11.018 -12.588 1.00 72.11 N ATOM 967 CA GLN A 86 -5.142 11.221 -11.423 1.00 4.22 C ATOM 968 C GLN A 86 -5.115 12.691 -11.018 1.00 2.24 C ATOM 969 O GLN A 86 -5.240 13.023 -9.839 1.00 64.50 O ATOM 970 CB GLN A 86 -3.721 10.734 -11.713 1.00 21.11 C ATOM 971 CG GLN A 86 -2.747 10.986 -10.574 1.00 4.53 C ATOM 972 CD GLN A 86 -1.552 11.816 -11.001 1.00 3.03 C ATOM 973 OE1 GLN A 86 -1.810 13.035 -11.459 1.00 13.21 O flip ATOM 974 NE2 GLN A 86 -0.408 11.366 -10.920 1.00 14.21 N flip ATOM 0 H GLN A 86 -5.523 10.593 -13.386 1.00 72.11 H new ATOM 0 HA GLN A 86 -5.555 10.643 -10.597 1.00 4.22 H new ATOM 0 HB2 GLN A 86 -3.749 9.665 -11.927 1.00 21.11 H new ATOM 0 HB3 GLN A 86 -3.352 11.229 -12.611 1.00 21.11 H new ATOM 0 HG2 GLN A 86 -3.267 11.495 -9.762 1.00 4.53 H new ATOM 0 HG3 GLN A 86 -2.399 10.031 -10.180 1.00 4.53 H new ATOM 0 HE21 GLN A 86 -0.255 10.423 -10.562 1.00 14.21 H new ATOM 0 HE22 GLN A 86 0.386 11.936 -11.211 1.00 14.21 H new ATOM 983 N ALA A 87 -4.951 13.568 -12.002 1.00 40.54 N ATOM 984 CA ALA A 87 -4.910 15.003 -11.748 1.00 45.23 C ATOM 985 C ALA A 87 -6.211 15.487 -11.117 1.00 63.31 C ATOM 986 O ALA A 87 -6.204 16.360 -10.249 1.00 54.02 O ATOM 987 CB ALA A 87 -4.634 15.760 -13.039 1.00 64.01 C ATOM 0 H ALA A 87 -4.844 13.310 -12.983 1.00 40.54 H new ATOM 0 HA ALA A 87 -4.101 15.199 -11.044 1.00 45.23 H new ATOM 0 HB1 ALA A 87 -4.606 16.830 -12.834 1.00 64.01 H new ATOM 0 HB2 ALA A 87 -3.675 15.444 -13.448 1.00 64.01 H new ATOM 0 HB3 ALA A 87 -5.423 15.549 -13.760 1.00 64.01 H new ATOM 993 N PHE A 88 -7.326 14.914 -11.559 1.00 3.32 N ATOM 994 CA PHE A 88 -8.635 15.289 -11.038 1.00 33.51 C ATOM 995 C PHE A 88 -8.847 14.719 -9.638 1.00 40.02 C ATOM 996 O PHE A 88 -9.460 15.357 -8.782 1.00 43.21 O ATOM 997 CB PHE A 88 -9.740 14.795 -11.974 1.00 72.41 C ATOM 998 CG PHE A 88 -11.113 14.862 -11.369 1.00 53.31 C ATOM 999 CD1 PHE A 88 -11.598 13.817 -10.599 1.00 5.43 C ATOM 1000 CD2 PHE A 88 -11.920 15.971 -11.571 1.00 60.42 C ATOM 1001 CE1 PHE A 88 -12.860 13.877 -10.040 1.00 75.41 C ATOM 1002 CE2 PHE A 88 -13.183 16.036 -11.015 1.00 34.52 C ATOM 1003 CZ PHE A 88 -13.655 14.987 -10.249 1.00 62.24 C ATOM 0 H PHE A 88 -7.349 14.189 -12.276 1.00 3.32 H new ATOM 0 HA PHE A 88 -8.677 16.377 -10.979 1.00 33.51 H new ATOM 0 HB2 PHE A 88 -9.725 15.390 -12.887 1.00 72.41 H new ATOM 0 HB3 PHE A 88 -9.528 13.765 -12.261 1.00 72.41 H new ATOM 0 HD1 PHE A 88 -10.982 12.945 -10.434 1.00 5.43 H new ATOM 0 HD2 PHE A 88 -11.557 16.793 -12.170 1.00 60.42 H new ATOM 0 HE1 PHE A 88 -13.225 13.056 -9.440 1.00 75.41 H new ATOM 0 HE2 PHE A 88 -13.801 16.906 -11.179 1.00 34.52 H new ATOM 0 HZ PHE A 88 -14.643 15.035 -9.815 1.00 62.24 H new ATOM 1013 N VAL A 89 -8.336 13.513 -9.413 1.00 63.20 N ATOM 1014 CA VAL A 89 -8.468 12.856 -8.118 1.00 5.21 C ATOM 1015 C VAL A 89 -7.677 13.596 -7.044 1.00 34.40 C ATOM 1016 O VAL A 89 -8.137 13.740 -5.912 1.00 5.44 O ATOM 1017 CB VAL A 89 -7.987 11.394 -8.178 1.00 43.23 C ATOM 1018 CG1 VAL A 89 -8.066 10.749 -6.803 1.00 71.44 C ATOM 1019 CG2 VAL A 89 -8.802 10.607 -9.194 1.00 4.43 C ATOM 0 H VAL A 89 -7.827 12.971 -10.111 1.00 63.20 H new ATOM 0 HA VAL A 89 -9.527 12.871 -7.862 1.00 5.21 H new ATOM 0 HB VAL A 89 -6.945 11.385 -8.497 1.00 43.23 H new ATOM 0 HG11 VAL A 89 -7.722 9.717 -6.865 1.00 71.44 H new ATOM 0 HG12 VAL A 89 -7.435 11.300 -6.106 1.00 71.44 H new ATOM 0 HG13 VAL A 89 -9.098 10.767 -6.451 1.00 71.44 H new ATOM 0 HG21 VAL A 89 -8.449 9.576 -9.224 1.00 4.43 H new ATOM 0 HG22 VAL A 89 -9.854 10.622 -8.907 1.00 4.43 H new ATOM 0 HG23 VAL A 89 -8.688 11.058 -10.180 1.00 4.43 H new ATOM 1029 N GLU A 90 -6.487 14.062 -7.408 1.00 61.24 N ATOM 1030 CA GLU A 90 -5.633 14.786 -6.475 1.00 3.42 C ATOM 1031 C GLU A 90 -6.063 16.246 -6.364 1.00 54.20 C ATOM 1032 O GLU A 90 -5.830 16.898 -5.347 1.00 23.34 O ATOM 1033 CB GLU A 90 -4.171 14.707 -6.920 1.00 22.03 C ATOM 1034 CG GLU A 90 -3.819 15.681 -8.031 1.00 51.33 C ATOM 1035 CD GLU A 90 -3.222 16.973 -7.508 1.00 22.14 C ATOM 1036 OE1 GLU A 90 -2.283 16.903 -6.687 1.00 14.52 O ATOM 1037 OE2 GLU A 90 -3.693 18.054 -7.919 1.00 75.43 O ATOM 0 H GLU A 90 -6.093 13.951 -8.342 1.00 61.24 H new ATOM 0 HA GLU A 90 -5.733 14.320 -5.495 1.00 3.42 H new ATOM 0 HB2 GLU A 90 -3.528 14.901 -6.062 1.00 22.03 H new ATOM 0 HB3 GLU A 90 -3.957 13.693 -7.256 1.00 22.03 H new ATOM 0 HG2 GLU A 90 -3.112 15.208 -8.713 1.00 51.33 H new ATOM 0 HG3 GLU A 90 -4.716 15.907 -8.608 1.00 51.33 H new ATOM 1044 N ALA A 91 -6.693 16.753 -7.419 1.00 33.21 N ATOM 1045 CA ALA A 91 -7.158 18.134 -7.440 1.00 51.23 C ATOM 1046 C ALA A 91 -8.424 18.300 -6.607 1.00 55.32 C ATOM 1047 O ALA A 91 -8.738 19.399 -6.149 1.00 13.12 O ATOM 1048 CB ALA A 91 -7.403 18.586 -8.872 1.00 41.53 C ATOM 0 H ALA A 91 -6.893 16.228 -8.270 1.00 33.21 H new ATOM 0 HA ALA A 91 -6.381 18.760 -7.001 1.00 51.23 H new ATOM 0 HB1 ALA A 91 -7.750 19.619 -8.873 1.00 41.53 H new ATOM 0 HB2 ALA A 91 -6.475 18.514 -9.440 1.00 41.53 H new ATOM 0 HB3 ALA A 91 -8.159 17.949 -9.330 1.00 41.53 H new ATOM 1054 N PHE A 92 -9.149 17.203 -6.415 1.00 52.14 N ATOM 1055 CA PHE A 92 -10.383 17.228 -5.639 1.00 30.14 C ATOM 1056 C PHE A 92 -10.268 16.335 -4.406 1.00 41.34 C ATOM 1057 O PHE A 92 -11.203 16.233 -3.613 1.00 21.22 O ATOM 1058 CB PHE A 92 -11.563 16.776 -6.501 1.00 70.23 C ATOM 1059 CG PHE A 92 -11.998 17.803 -7.507 1.00 73.22 C ATOM 1060 CD1 PHE A 92 -11.193 18.116 -8.590 1.00 42.01 C ATOM 1061 CD2 PHE A 92 -13.213 18.455 -7.369 1.00 41.35 C ATOM 1062 CE1 PHE A 92 -11.590 19.060 -9.518 1.00 15.41 C ATOM 1063 CE2 PHE A 92 -13.616 19.400 -8.294 1.00 40.11 C ATOM 1064 CZ PHE A 92 -12.803 19.704 -9.369 1.00 33.11 C ATOM 0 H PHE A 92 -8.903 16.285 -6.786 1.00 52.14 H new ATOM 0 HA PHE A 92 -10.555 18.253 -5.310 1.00 30.14 H new ATOM 0 HB2 PHE A 92 -11.291 15.859 -7.024 1.00 70.23 H new ATOM 0 HB3 PHE A 92 -12.405 16.535 -5.852 1.00 70.23 H new ATOM 0 HD1 PHE A 92 -10.243 17.616 -8.711 1.00 42.01 H new ATOM 0 HD2 PHE A 92 -13.852 18.222 -6.530 1.00 41.35 H new ATOM 0 HE1 PHE A 92 -10.953 19.294 -10.358 1.00 15.41 H new ATOM 0 HE2 PHE A 92 -14.566 19.900 -8.176 1.00 40.11 H new ATOM 0 HZ PHE A 92 -13.115 20.444 -10.091 1.00 33.11 H new ATOM 1074 N GLN A 93 -9.115 15.692 -4.255 1.00 20.41 N ATOM 1075 CA GLN A 93 -8.878 14.807 -3.121 1.00 20.35 C ATOM 1076 C GLN A 93 -9.309 15.467 -1.815 1.00 54.34 C ATOM 1077 O GLN A 93 -9.780 14.799 -0.896 1.00 5.14 O ATOM 1078 CB GLN A 93 -7.399 14.422 -3.047 1.00 13.21 C ATOM 1079 CG GLN A 93 -6.996 13.806 -1.717 1.00 14.11 C ATOM 1080 CD GLN A 93 -7.775 12.545 -1.398 1.00 51.10 C ATOM 1081 OE1 GLN A 93 -8.382 11.937 -2.280 1.00 32.11 O ATOM 1082 NE2 GLN A 93 -7.762 12.145 -0.132 1.00 23.11 N ATOM 0 H GLN A 93 -8.331 15.767 -4.903 1.00 20.41 H new ATOM 0 HA GLN A 93 -9.474 13.906 -3.266 1.00 20.35 H new ATOM 0 HB2 GLN A 93 -7.175 13.716 -3.847 1.00 13.21 H new ATOM 0 HB3 GLN A 93 -6.792 15.309 -3.226 1.00 13.21 H new ATOM 0 HG2 GLN A 93 -5.931 13.576 -1.736 1.00 14.11 H new ATOM 0 HG3 GLN A 93 -7.151 14.535 -0.922 1.00 14.11 H new ATOM 0 HE21 GLN A 93 -7.245 12.680 0.566 1.00 23.11 H new ATOM 0 HE22 GLN A 93 -8.268 11.303 0.142 1.00 23.11 H new ATOM 1091 N GLY A 94 -9.146 16.785 -1.742 1.00 24.20 N ATOM 1092 CA GLY A 94 -9.523 17.514 -0.545 1.00 64.40 C ATOM 1093 C GLY A 94 -10.286 18.785 -0.857 1.00 14.20 C ATOM 1094 O GLY A 94 -9.862 19.880 -0.485 1.00 35.55 O ATOM 0 H GLY A 94 -8.760 17.360 -2.490 1.00 24.20 H new ATOM 0 HA2 GLY A 94 -10.135 16.873 0.089 1.00 64.40 H new ATOM 0 HA3 GLY A 94 -8.626 17.762 0.023 1.00 64.40 H new ATOM 1098 N TYR A 95 -11.415 18.642 -1.543 1.00 44.34 N ATOM 1099 CA TYR A 95 -12.237 19.789 -1.909 1.00 53.21 C ATOM 1100 C TYR A 95 -13.694 19.562 -1.517 1.00 0.14 C ATOM 1101 O TYR A 95 -14.258 18.487 -1.719 1.00 60.51 O ATOM 1102 CB TYR A 95 -12.138 20.056 -3.412 1.00 10.00 C ATOM 1103 CG TYR A 95 -13.040 21.171 -3.890 1.00 14.22 C ATOM 1104 CD1 TYR A 95 -14.374 20.930 -4.194 1.00 53.24 C ATOM 1105 CD2 TYR A 95 -12.559 22.466 -4.036 1.00 2.52 C ATOM 1106 CE1 TYR A 95 -15.202 21.946 -4.632 1.00 21.00 C ATOM 1107 CE2 TYR A 95 -13.380 23.489 -4.471 1.00 64.24 C ATOM 1108 CZ TYR A 95 -14.700 23.223 -4.769 1.00 11.53 C ATOM 1109 OH TYR A 95 -15.522 24.238 -5.203 1.00 4.40 O ATOM 0 H TYR A 95 -11.781 17.743 -1.857 1.00 44.34 H new ATOM 0 HA TYR A 95 -11.864 20.658 -1.367 1.00 53.21 H new ATOM 0 HB2 TYR A 95 -11.106 20.303 -3.661 1.00 10.00 H new ATOM 0 HB3 TYR A 95 -12.387 19.142 -3.952 1.00 10.00 H new ATOM 0 HD1 TYR A 95 -14.771 19.931 -4.086 1.00 53.24 H new ATOM 0 HD2 TYR A 95 -11.525 22.677 -3.805 1.00 2.52 H new ATOM 0 HE1 TYR A 95 -16.236 21.741 -4.866 1.00 21.00 H new ATOM 0 HE2 TYR A 95 -12.990 24.491 -4.577 1.00 64.24 H new ATOM 0 HH TYR A 95 -15.014 25.075 -5.244 1.00 4.40 H new ATOM 1119 N PRO A 96 -14.319 20.600 -0.941 1.00 73.14 N ATOM 1120 CA PRO A 96 -15.719 20.540 -0.509 1.00 43.20 C ATOM 1121 C PRO A 96 -16.687 20.483 -1.686 1.00 30.45 C ATOM 1122 O PRO A 96 -16.926 21.488 -2.355 1.00 73.33 O ATOM 1123 CB PRO A 96 -15.904 21.843 0.273 1.00 33.11 C ATOM 1124 CG PRO A 96 -14.883 22.771 -0.288 1.00 63.54 C ATOM 1125 CD PRO A 96 -13.709 21.912 -0.669 1.00 65.14 C ATOM 0 HA PRO A 96 -15.928 19.643 0.074 1.00 43.20 H new ATOM 0 HB2 PRO A 96 -16.911 22.240 0.147 1.00 33.11 H new ATOM 0 HB3 PRO A 96 -15.753 21.688 1.341 1.00 33.11 H new ATOM 0 HG2 PRO A 96 -15.274 23.304 -1.155 1.00 63.54 H new ATOM 0 HG3 PRO A 96 -14.594 23.524 0.446 1.00 63.54 H new ATOM 0 HD2 PRO A 96 -13.192 22.304 -1.545 1.00 65.14 H new ATOM 0 HD3 PRO A 96 -12.975 21.855 0.135 1.00 65.14 H new ATOM 1133 N PHE A 97 -17.242 19.301 -1.932 1.00 31.41 N ATOM 1134 CA PHE A 97 -18.185 19.112 -3.029 1.00 4.25 C ATOM 1135 C PHE A 97 -19.427 18.363 -2.555 1.00 50.33 C ATOM 1136 O PHE A 97 -19.347 17.494 -1.688 1.00 2.55 O ATOM 1137 CB PHE A 97 -17.520 18.347 -4.175 1.00 2.13 C ATOM 1138 CG PHE A 97 -18.463 18.001 -5.291 1.00 33.41 C ATOM 1139 CD1 PHE A 97 -19.068 18.998 -6.039 1.00 35.42 C ATOM 1140 CD2 PHE A 97 -18.745 16.678 -5.592 1.00 33.22 C ATOM 1141 CE1 PHE A 97 -19.937 18.682 -7.067 1.00 1.21 C ATOM 1142 CE2 PHE A 97 -19.612 16.356 -6.619 1.00 14.41 C ATOM 1143 CZ PHE A 97 -20.210 17.360 -7.356 1.00 60.25 C ATOM 0 H PHE A 97 -17.055 18.459 -1.387 1.00 31.41 H new ATOM 0 HA PHE A 97 -18.490 20.095 -3.387 1.00 4.25 H new ATOM 0 HB2 PHE A 97 -16.701 18.946 -4.574 1.00 2.13 H new ATOM 0 HB3 PHE A 97 -17.082 17.429 -3.783 1.00 2.13 H new ATOM 0 HD1 PHE A 97 -18.858 20.034 -5.817 1.00 35.42 H new ATOM 0 HD2 PHE A 97 -18.282 15.889 -5.017 1.00 33.22 H new ATOM 0 HE1 PHE A 97 -20.402 19.468 -7.643 1.00 1.21 H new ATOM 0 HE2 PHE A 97 -19.822 15.321 -6.845 1.00 14.41 H new ATOM 0 HZ PHE A 97 -20.890 17.111 -8.157 1.00 60.25 H new ATOM 1153 N GLN A 98 -20.574 18.708 -3.132 1.00 62.11 N ATOM 1154 CA GLN A 98 -21.833 18.069 -2.769 1.00 12.45 C ATOM 1155 C GLN A 98 -22.096 18.197 -1.272 1.00 31.03 C ATOM 1156 O GLN A 98 -22.814 17.387 -0.686 1.00 42.50 O ATOM 1157 CB GLN A 98 -21.816 16.594 -3.171 1.00 73.24 C ATOM 1158 CG GLN A 98 -22.895 16.225 -4.177 1.00 15.14 C ATOM 1159 CD GLN A 98 -24.266 16.734 -3.774 1.00 62.53 C ATOM 1160 OE1 GLN A 98 -24.928 16.153 -2.914 1.00 32.21 O ATOM 1161 NE2 GLN A 98 -24.699 17.824 -4.396 1.00 70.11 N ATOM 0 H GLN A 98 -20.657 19.426 -3.852 1.00 62.11 H new ATOM 0 HA GLN A 98 -22.636 18.575 -3.306 1.00 12.45 H new ATOM 0 HB2 GLN A 98 -20.840 16.352 -3.592 1.00 73.24 H new ATOM 0 HB3 GLN A 98 -21.939 15.981 -2.278 1.00 73.24 H new ATOM 0 HG2 GLN A 98 -22.632 16.634 -5.153 1.00 15.14 H new ATOM 0 HG3 GLN A 98 -22.931 15.141 -4.285 1.00 15.14 H new ATOM 0 HE21 GLN A 98 -24.117 18.273 -5.103 1.00 70.11 H new ATOM 0 HE22 GLN A 98 -25.614 18.212 -4.167 1.00 70.11 H new ATOM 1170 N GLY A 99 -21.509 19.220 -0.658 1.00 20.14 N ATOM 1171 CA GLY A 99 -21.692 19.434 0.766 1.00 45.40 C ATOM 1172 C GLY A 99 -20.386 19.716 1.482 1.00 25.31 C ATOM 1173 O GLY A 99 -20.201 20.791 2.050 1.00 2.03 O ATOM 0 H GLY A 99 -20.910 19.904 -1.121 1.00 20.14 H new ATOM 0 HA2 GLY A 99 -22.375 20.269 0.920 1.00 45.40 H new ATOM 0 HA3 GLY A 99 -22.161 18.554 1.205 1.00 45.40 H new ATOM 1177 N ASN A 100 -19.477 18.745 1.456 1.00 15.55 N ATOM 1178 CA ASN A 100 -18.182 18.893 2.111 1.00 54.35 C ATOM 1179 C ASN A 100 -17.339 17.634 1.938 1.00 21.20 C ATOM 1180 O ASN A 100 -16.254 17.658 1.356 1.00 32.11 O ATOM 1181 CB ASN A 100 -18.371 19.195 3.599 1.00 64.43 C ATOM 1182 CG ASN A 100 -17.941 20.603 3.962 1.00 35.03 C ATOM 1183 OD1 ASN A 100 -17.909 21.493 3.112 1.00 35.03 O ATOM 1184 ND2 ASN A 100 -17.609 20.811 5.231 1.00 64.01 N ATOM 0 H ASN A 100 -19.614 17.849 0.989 1.00 15.55 H new ATOM 0 HA ASN A 100 -17.658 19.726 1.643 1.00 54.35 H new ATOM 0 HB2 ASN A 100 -19.419 19.058 3.864 1.00 64.43 H new ATOM 0 HB3 ASN A 100 -17.797 18.479 4.188 1.00 64.43 H new ATOM 0 HD21 ASN A 100 -17.313 21.738 5.535 1.00 64.01 H new ATOM 0 HD22 ASN A 100 -17.650 20.043 5.901 1.00 64.01 H new ATOM 1191 N PRO A 101 -17.848 16.506 2.455 1.00 63.51 N ATOM 1192 CA PRO A 101 -17.158 15.215 2.370 1.00 75.42 C ATOM 1193 C PRO A 101 -17.129 14.666 0.947 1.00 33.34 C ATOM 1194 O PRO A 101 -18.115 14.105 0.467 1.00 52.00 O ATOM 1195 CB PRO A 101 -17.993 14.306 3.276 1.00 11.43 C ATOM 1196 CG PRO A 101 -19.351 14.920 3.280 1.00 23.44 C ATOM 1197 CD PRO A 101 -19.135 16.403 3.162 1.00 54.11 C ATOM 0 HA PRO A 101 -16.112 15.292 2.667 1.00 75.42 H new ATOM 0 HB2 PRO A 101 -18.021 13.285 2.895 1.00 11.43 H new ATOM 0 HB3 PRO A 101 -17.577 14.259 4.282 1.00 11.43 H new ATOM 0 HG2 PRO A 101 -19.951 14.546 2.450 1.00 23.44 H new ATOM 0 HG3 PRO A 101 -19.887 14.675 4.197 1.00 23.44 H new ATOM 0 HD2 PRO A 101 -19.939 16.883 2.604 1.00 54.11 H new ATOM 0 HD3 PRO A 101 -19.095 16.882 4.140 1.00 54.11 H new ATOM 1205 N LEU A 102 -15.994 14.830 0.278 1.00 25.12 N ATOM 1206 CA LEU A 102 -15.836 14.350 -1.090 1.00 44.03 C ATOM 1207 C LEU A 102 -14.659 13.385 -1.197 1.00 32.14 C ATOM 1208 O LEU A 102 -13.584 13.637 -0.652 1.00 14.22 O ATOM 1209 CB LEU A 102 -15.631 15.528 -2.044 1.00 53.14 C ATOM 1210 CG LEU A 102 -15.171 15.174 -3.459 1.00 52.20 C ATOM 1211 CD1 LEU A 102 -16.274 14.447 -4.213 1.00 1.12 C ATOM 1212 CD2 LEU A 102 -14.746 16.427 -4.211 1.00 4.14 C ATOM 0 H LEU A 102 -15.169 15.292 0.661 1.00 25.12 H new ATOM 0 HA LEU A 102 -16.745 13.817 -1.369 1.00 44.03 H new ATOM 0 HB2 LEU A 102 -16.569 16.079 -2.116 1.00 53.14 H new ATOM 0 HB3 LEU A 102 -14.897 16.203 -1.603 1.00 53.14 H new ATOM 0 HG LEU A 102 -14.310 14.509 -3.384 1.00 52.20 H new ATOM 0 HD11 LEU A 102 -15.928 14.203 -5.218 1.00 1.12 H new ATOM 0 HD12 LEU A 102 -16.531 13.529 -3.685 1.00 1.12 H new ATOM 0 HD13 LEU A 102 -17.154 15.087 -4.277 1.00 1.12 H new ATOM 0 HD21 LEU A 102 -14.422 16.156 -5.216 1.00 4.14 H new ATOM 0 HD22 LEU A 102 -15.588 17.116 -4.275 1.00 4.14 H new ATOM 0 HD23 LEU A 102 -13.923 16.908 -3.682 1.00 4.14 H new ATOM 1224 N VAL A 103 -14.870 12.279 -1.904 1.00 4.13 N ATOM 1225 CA VAL A 103 -13.826 11.277 -2.085 1.00 2.32 C ATOM 1226 C VAL A 103 -13.645 10.932 -3.559 1.00 1.43 C ATOM 1227 O VAL A 103 -14.620 10.742 -4.286 1.00 40.32 O ATOM 1228 CB VAL A 103 -14.143 9.989 -1.303 1.00 23.15 C ATOM 1229 CG1 VAL A 103 -15.355 9.288 -1.897 1.00 24.42 C ATOM 1230 CG2 VAL A 103 -12.935 9.064 -1.288 1.00 41.14 C ATOM 0 H VAL A 103 -15.754 12.054 -2.361 1.00 4.13 H new ATOM 0 HA VAL A 103 -12.902 11.709 -1.700 1.00 2.32 H new ATOM 0 HB VAL A 103 -14.378 10.258 -0.273 1.00 23.15 H new ATOM 0 HG11 VAL A 103 -15.564 8.380 -1.331 1.00 24.42 H new ATOM 0 HG12 VAL A 103 -16.218 9.952 -1.850 1.00 24.42 H new ATOM 0 HG13 VAL A 103 -15.153 9.029 -2.936 1.00 24.42 H new ATOM 0 HG21 VAL A 103 -13.177 8.159 -0.731 1.00 41.14 H new ATOM 0 HG22 VAL A 103 -12.666 8.800 -2.311 1.00 41.14 H new ATOM 0 HG23 VAL A 103 -12.095 9.570 -0.811 1.00 41.14 H new ATOM 1240 N ILE A 104 -12.391 10.853 -3.992 1.00 75.15 N ATOM 1241 CA ILE A 104 -12.083 10.529 -5.380 1.00 2.13 C ATOM 1242 C ILE A 104 -10.975 9.485 -5.467 1.00 71.31 C ATOM 1243 O ILE A 104 -9.910 9.641 -4.869 1.00 21.20 O ATOM 1244 CB ILE A 104 -11.656 11.781 -6.169 1.00 1.15 C ATOM 1245 CG1 ILE A 104 -11.094 12.841 -5.219 1.00 43.44 C ATOM 1246 CG2 ILE A 104 -12.833 12.338 -6.956 1.00 65.30 C ATOM 1247 CD1 ILE A 104 -12.157 13.718 -4.595 1.00 44.23 C ATOM 0 H ILE A 104 -11.573 11.009 -3.403 1.00 75.15 H new ATOM 0 HA ILE A 104 -12.995 10.126 -5.820 1.00 2.13 H new ATOM 0 HB ILE A 104 -10.874 11.500 -6.874 1.00 1.15 H new ATOM 0 HG12 ILE A 104 -10.532 12.346 -4.427 1.00 43.44 H new ATOM 0 HG13 ILE A 104 -10.390 13.470 -5.764 1.00 43.44 H new ATOM 0 HG21 ILE A 104 -12.515 13.222 -7.508 1.00 65.30 H new ATOM 0 HG22 ILE A 104 -13.193 11.583 -7.655 1.00 65.30 H new ATOM 0 HG23 ILE A 104 -13.635 12.608 -6.269 1.00 65.30 H new ATOM 0 HD11 ILE A 104 -11.686 14.446 -3.934 1.00 44.23 H new ATOM 0 HD12 ILE A 104 -12.704 14.241 -5.380 1.00 44.23 H new ATOM 0 HD13 ILE A 104 -12.848 13.100 -4.021 1.00 44.23 H new ATOM 1259 N THR A 105 -11.232 8.418 -6.218 1.00 54.44 N ATOM 1260 CA THR A 105 -10.258 7.348 -6.385 1.00 64.14 C ATOM 1261 C THR A 105 -10.329 6.753 -7.787 1.00 34.31 C ATOM 1262 O THR A 105 -11.296 6.973 -8.517 1.00 30.20 O ATOM 1263 CB THR A 105 -10.472 6.226 -5.352 1.00 15.21 C ATOM 1264 OG1 THR A 105 -11.799 5.699 -5.470 1.00 3.15 O ATOM 1265 CG2 THR A 105 -10.250 6.743 -3.938 1.00 71.24 C ATOM 0 H THR A 105 -12.108 8.273 -6.720 1.00 54.44 H new ATOM 0 HA THR A 105 -9.274 7.791 -6.230 1.00 64.14 H new ATOM 0 HB THR A 105 -9.748 5.436 -5.551 1.00 15.21 H new ATOM 0 HG1 THR A 105 -12.333 6.284 -6.047 1.00 3.15 H new ATOM 0 HG21 THR A 105 -10.407 5.933 -3.226 1.00 71.24 H new ATOM 0 HG22 THR A 105 -9.231 7.117 -3.843 1.00 71.24 H new ATOM 0 HG23 THR A 105 -10.953 7.549 -3.731 1.00 71.24 H new ATOM 1273 N PHE A 106 -9.301 5.997 -8.157 1.00 61.01 N ATOM 1274 CA PHE A 106 -9.248 5.370 -9.472 1.00 65.45 C ATOM 1275 C PHE A 106 -10.156 4.145 -9.528 1.00 71.12 C ATOM 1276 O PHE A 106 -10.914 3.878 -8.595 1.00 64.35 O ATOM 1277 CB PHE A 106 -7.810 4.968 -9.812 1.00 15.43 C ATOM 1278 CG PHE A 106 -6.845 6.118 -9.784 1.00 43.45 C ATOM 1279 CD1 PHE A 106 -6.743 6.981 -10.864 1.00 61.53 C ATOM 1280 CD2 PHE A 106 -6.038 6.337 -8.679 1.00 53.01 C ATOM 1281 CE1 PHE A 106 -5.855 8.040 -10.842 1.00 54.04 C ATOM 1282 CE2 PHE A 106 -5.149 7.395 -8.651 1.00 75.03 C ATOM 1283 CZ PHE A 106 -5.057 8.247 -9.735 1.00 20.23 C ATOM 0 H PHE A 106 -8.493 5.804 -7.565 1.00 61.01 H new ATOM 0 HA PHE A 106 -9.599 6.095 -10.206 1.00 65.45 H new ATOM 0 HB2 PHE A 106 -7.477 4.207 -9.106 1.00 15.43 H new ATOM 0 HB3 PHE A 106 -7.793 4.513 -10.802 1.00 15.43 H new ATOM 0 HD1 PHE A 106 -7.365 6.824 -11.733 1.00 61.53 H new ATOM 0 HD2 PHE A 106 -6.104 5.673 -7.830 1.00 53.01 H new ATOM 0 HE1 PHE A 106 -5.786 8.705 -11.690 1.00 54.04 H new ATOM 0 HE2 PHE A 106 -4.527 7.556 -7.783 1.00 75.03 H new ATOM 0 HZ PHE A 106 -4.362 9.073 -9.716 1.00 20.23 H new