USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 509 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 35 LYS NZ :NH3+ -163:sc= -0.513 (180deg=-0.953) USER MOD Set 1.2: A 37 SER OG : rot 135:sc= 0.024 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.055) USER MOD Single : A 13 ASN : amide:sc= 0.211 K(o=0.21,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 176:sc= 0 USER MOD Single : A 38 SER OG : rot 120:sc= -0.692 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.25 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.066) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 68 SER OG : rot -160:sc=-0.00681 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 78 SER OG : rot -110:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 6.443 -8.328 -7.681 1.00 63.41 N ATOM 53 CA GLU A 5 6.111 -9.610 -8.292 1.00 32.00 C ATOM 54 C GLU A 5 7.105 -10.688 -7.870 1.00 32.24 C ATOM 55 O GLU A 5 8.240 -10.723 -8.346 1.00 14.05 O ATOM 56 CB GLU A 5 6.095 -9.485 -9.817 1.00 1.42 C ATOM 57 CG GLU A 5 5.832 -10.799 -10.533 1.00 12.40 C ATOM 58 CD GLU A 5 4.445 -11.347 -10.255 1.00 44.45 C ATOM 59 OE1 GLU A 5 3.500 -10.539 -10.137 1.00 24.14 O ATOM 60 OE2 GLU A 5 4.306 -12.584 -10.157 1.00 51.25 O ATOM 0 HA GLU A 5 5.118 -9.901 -7.948 1.00 32.00 H new ATOM 0 HB2 GLU A 5 5.330 -8.764 -10.106 1.00 1.42 H new ATOM 0 HB3 GLU A 5 7.052 -9.085 -10.150 1.00 1.42 H new ATOM 0 HG2 GLU A 5 5.953 -10.654 -11.607 1.00 12.40 H new ATOM 0 HG3 GLU A 5 6.577 -11.532 -10.224 1.00 12.40 H new ATOM 67 N VAL A 6 6.670 -11.567 -6.972 1.00 12.21 N ATOM 68 CA VAL A 6 7.520 -12.647 -6.485 1.00 11.41 C ATOM 69 C VAL A 6 6.948 -14.009 -6.861 1.00 53.32 C ATOM 70 O VAL A 6 5.777 -14.293 -6.606 1.00 22.41 O ATOM 71 CB VAL A 6 7.692 -12.579 -4.956 1.00 23.12 C ATOM 72 CG1 VAL A 6 8.535 -13.745 -4.461 1.00 50.13 C ATOM 73 CG2 VAL A 6 8.313 -11.251 -4.548 1.00 73.41 C ATOM 0 H VAL A 6 5.734 -11.552 -6.567 1.00 12.21 H new ATOM 0 HA VAL A 6 8.494 -12.522 -6.959 1.00 11.41 H new ATOM 0 HB VAL A 6 6.708 -12.651 -4.494 1.00 23.12 H new ATOM 0 HG11 VAL A 6 8.646 -13.680 -3.379 1.00 50.13 H new ATOM 0 HG12 VAL A 6 8.045 -14.684 -4.720 1.00 50.13 H new ATOM 0 HG13 VAL A 6 9.519 -13.707 -4.929 1.00 50.13 H new ATOM 0 HG21 VAL A 6 8.427 -11.220 -3.464 1.00 73.41 H new ATOM 0 HG22 VAL A 6 9.290 -11.146 -5.019 1.00 73.41 H new ATOM 0 HG23 VAL A 6 7.667 -10.434 -4.868 1.00 73.41 H new ATOM 83 N ILE A 7 7.781 -14.847 -7.469 1.00 12.23 N ATOM 84 CA ILE A 7 7.358 -16.180 -7.879 1.00 20.13 C ATOM 85 C ILE A 7 8.328 -17.244 -7.375 1.00 50.50 C ATOM 86 O ILE A 7 9.466 -17.331 -7.837 1.00 54.35 O ATOM 87 CB ILE A 7 7.245 -16.289 -9.411 1.00 2.41 C ATOM 88 CG1 ILE A 7 6.953 -17.733 -9.822 1.00 32.35 C ATOM 89 CG2 ILE A 7 8.522 -15.792 -10.072 1.00 62.34 C ATOM 90 CD1 ILE A 7 6.692 -17.900 -11.302 1.00 54.51 C ATOM 0 H ILE A 7 8.752 -14.626 -7.688 1.00 12.23 H new ATOM 0 HA ILE A 7 6.376 -16.349 -7.438 1.00 20.13 H new ATOM 0 HB ILE A 7 6.418 -15.663 -9.745 1.00 2.41 H new ATOM 0 HG12 ILE A 7 7.797 -18.361 -9.537 1.00 32.35 H new ATOM 0 HG13 ILE A 7 6.087 -18.092 -9.266 1.00 32.35 H new ATOM 0 HG21 ILE A 7 8.427 -15.875 -11.155 1.00 62.34 H new ATOM 0 HG22 ILE A 7 8.690 -14.750 -9.801 1.00 62.34 H new ATOM 0 HG23 ILE A 7 9.365 -16.395 -9.734 1.00 62.34 H new ATOM 0 HD11 ILE A 7 6.493 -18.949 -11.520 1.00 54.51 H new ATOM 0 HD12 ILE A 7 5.829 -17.299 -11.589 1.00 54.51 H new ATOM 0 HD13 ILE A 7 7.566 -17.572 -11.865 1.00 54.51 H new ATOM 102 N VAL A 8 7.870 -18.052 -6.425 1.00 33.41 N ATOM 103 CA VAL A 8 8.695 -19.113 -5.860 1.00 4.11 C ATOM 104 C VAL A 8 7.956 -20.446 -5.863 1.00 14.13 C ATOM 105 O VAL A 8 6.742 -20.495 -5.662 1.00 11.35 O ATOM 106 CB VAL A 8 9.127 -18.781 -4.419 1.00 51.21 C ATOM 107 CG1 VAL A 8 9.966 -19.909 -3.839 1.00 70.33 C ATOM 108 CG2 VAL A 8 9.889 -17.465 -4.382 1.00 2.04 C ATOM 0 H VAL A 8 6.931 -17.992 -6.030 1.00 33.41 H new ATOM 0 HA VAL A 8 9.582 -19.192 -6.489 1.00 4.11 H new ATOM 0 HB VAL A 8 8.232 -18.674 -3.805 1.00 51.21 H new ATOM 0 HG11 VAL A 8 10.262 -19.656 -2.821 1.00 70.33 H new ATOM 0 HG12 VAL A 8 9.382 -20.829 -3.829 1.00 70.33 H new ATOM 0 HG13 VAL A 8 10.857 -20.051 -4.451 1.00 70.33 H new ATOM 0 HG21 VAL A 8 10.187 -17.246 -3.357 1.00 2.04 H new ATOM 0 HG22 VAL A 8 10.777 -17.541 -5.009 1.00 2.04 H new ATOM 0 HG23 VAL A 8 9.250 -16.664 -4.754 1.00 2.04 H new ATOM 118 N TYR A 9 8.695 -21.526 -6.092 1.00 13.34 N ATOM 119 CA TYR A 9 8.109 -22.860 -6.123 1.00 33.44 C ATOM 120 C TYR A 9 8.410 -23.618 -4.833 1.00 12.31 C ATOM 121 O TYR A 9 9.544 -23.626 -4.356 1.00 63.45 O ATOM 122 CB TYR A 9 8.639 -23.645 -7.324 1.00 20.33 C ATOM 123 CG TYR A 9 7.986 -23.263 -8.633 1.00 22.12 C ATOM 124 CD1 TYR A 9 8.033 -21.955 -9.099 1.00 42.01 C ATOM 125 CD2 TYR A 9 7.322 -24.209 -9.403 1.00 34.51 C ATOM 126 CE1 TYR A 9 7.438 -21.601 -10.294 1.00 55.13 C ATOM 127 CE2 TYR A 9 6.724 -23.865 -10.600 1.00 5.31 C ATOM 128 CZ TYR A 9 6.785 -22.559 -11.041 1.00 71.32 C ATOM 129 OH TYR A 9 6.190 -22.212 -12.232 1.00 41.44 O ATOM 0 H TYR A 9 9.701 -21.503 -6.259 1.00 13.34 H new ATOM 0 HA TYR A 9 7.028 -22.752 -6.216 1.00 33.44 H new ATOM 0 HB2 TYR A 9 9.715 -23.487 -7.405 1.00 20.33 H new ATOM 0 HB3 TYR A 9 8.485 -24.710 -7.148 1.00 20.33 H new ATOM 0 HD1 TYR A 9 8.544 -21.202 -8.517 1.00 42.01 H new ATOM 0 HD2 TYR A 9 7.272 -25.232 -9.060 1.00 34.51 H new ATOM 0 HE1 TYR A 9 7.484 -20.580 -10.642 1.00 55.13 H new ATOM 0 HE2 TYR A 9 6.212 -24.613 -11.187 1.00 5.31 H new ATOM 0 HH TYR A 9 5.775 -23.004 -12.633 1.00 41.44 H new ATOM 139 N GLU A 10 7.384 -24.253 -4.274 1.00 43.11 N ATOM 140 CA GLU A 10 7.539 -25.013 -3.039 1.00 73.24 C ATOM 141 C GLU A 10 7.803 -26.486 -3.337 1.00 64.30 C ATOM 142 O GLU A 10 7.174 -27.371 -2.757 1.00 75.40 O ATOM 143 CB GLU A 10 6.288 -24.874 -2.169 1.00 30.10 C ATOM 144 CG GLU A 10 5.030 -25.426 -2.818 1.00 61.52 C ATOM 145 CD GLU A 10 4.094 -26.076 -1.818 1.00 22.25 C ATOM 146 OE1 GLU A 10 3.455 -25.339 -1.038 1.00 50.54 O ATOM 147 OE2 GLU A 10 4.001 -27.321 -1.813 1.00 62.41 O ATOM 0 H GLU A 10 6.438 -24.256 -4.656 1.00 43.11 H new ATOM 0 HA GLU A 10 8.396 -24.610 -2.499 1.00 73.24 H new ATOM 0 HB2 GLU A 10 6.455 -25.389 -1.223 1.00 30.10 H new ATOM 0 HB3 GLU A 10 6.134 -23.821 -1.935 1.00 30.10 H new ATOM 0 HG2 GLU A 10 4.505 -24.619 -3.329 1.00 61.52 H new ATOM 0 HG3 GLU A 10 5.308 -26.157 -3.577 1.00 61.52 H new ATOM 154 N HIS A 11 8.739 -26.741 -4.246 1.00 24.42 N ATOM 155 CA HIS A 11 9.088 -28.107 -4.621 1.00 63.03 C ATOM 156 C HIS A 11 10.083 -28.115 -5.778 1.00 74.15 C ATOM 157 O HIS A 11 10.629 -27.076 -6.149 1.00 14.44 O ATOM 158 CB HIS A 11 7.832 -28.889 -5.007 1.00 43.13 C ATOM 159 CG HIS A 11 7.546 -30.048 -4.103 1.00 4.35 C ATOM 160 ND1 HIS A 11 6.285 -30.338 -3.628 1.00 31.44 N ATOM 161 CD2 HIS A 11 8.368 -30.992 -3.587 1.00 72.00 C ATOM 162 CE1 HIS A 11 6.343 -31.410 -2.858 1.00 31.32 C ATOM 163 NE2 HIS A 11 7.596 -31.827 -2.817 1.00 13.30 N ATOM 0 H HIS A 11 9.269 -26.020 -4.736 1.00 24.42 H new ATOM 0 HA HIS A 11 9.555 -28.586 -3.760 1.00 63.03 H new ATOM 0 HB2 HIS A 11 6.977 -28.213 -4.999 1.00 43.13 H new ATOM 0 HB3 HIS A 11 7.941 -29.254 -6.028 1.00 43.13 H new ATOM 0 HD2 HIS A 11 9.432 -31.073 -3.750 1.00 72.00 H new ATOM 0 HE1 HIS A 11 5.508 -31.868 -2.349 1.00 31.32 H new ATOM 0 HE2 HIS A 11 7.935 -32.637 -2.298 1.00 13.30 H new ATOM 171 N VAL A 12 10.314 -29.295 -6.346 1.00 13.23 N ATOM 172 CA VAL A 12 11.242 -29.438 -7.461 1.00 30.22 C ATOM 173 C VAL A 12 10.743 -28.688 -8.691 1.00 22.31 C ATOM 174 O VAL A 12 9.562 -28.361 -8.794 1.00 72.42 O ATOM 175 CB VAL A 12 11.455 -30.919 -7.827 1.00 73.11 C ATOM 176 CG1 VAL A 12 12.676 -31.078 -8.720 1.00 72.41 C ATOM 177 CG2 VAL A 12 11.590 -31.764 -6.570 1.00 34.53 C ATOM 0 H VAL A 12 9.871 -30.165 -6.052 1.00 13.23 H new ATOM 0 HA VAL A 12 12.192 -29.011 -7.140 1.00 30.22 H new ATOM 0 HB VAL A 12 10.583 -31.268 -8.380 1.00 73.11 H new ATOM 0 HG11 VAL A 12 12.811 -32.131 -8.968 1.00 72.41 H new ATOM 0 HG12 VAL A 12 12.534 -30.505 -9.636 1.00 72.41 H new ATOM 0 HG13 VAL A 12 13.560 -30.713 -8.197 1.00 72.41 H new ATOM 0 HG21 VAL A 12 11.740 -32.807 -6.847 1.00 34.53 H new ATOM 0 HG22 VAL A 12 12.444 -31.417 -5.988 1.00 34.53 H new ATOM 0 HG23 VAL A 12 10.683 -31.674 -5.972 1.00 34.53 H new ATOM 187 N ASN A 13 11.653 -28.419 -9.622 1.00 75.32 N ATOM 188 CA ASN A 13 11.305 -27.707 -10.847 1.00 30.43 C ATOM 189 C ASN A 13 10.839 -28.679 -11.927 1.00 42.31 C ATOM 190 O ASN A 13 11.367 -28.686 -13.040 1.00 33.25 O ATOM 191 CB ASN A 13 12.504 -26.903 -11.351 1.00 44.43 C ATOM 192 CG ASN A 13 13.695 -27.783 -11.679 1.00 73.24 C ATOM 193 OD1 ASN A 13 14.108 -28.614 -10.871 1.00 34.53 O ATOM 194 ND2 ASN A 13 14.252 -27.604 -12.871 1.00 45.21 N ATOM 0 H ASN A 13 12.636 -28.683 -9.552 1.00 75.32 H new ATOM 0 HA ASN A 13 10.487 -27.023 -10.621 1.00 30.43 H new ATOM 0 HB2 ASN A 13 12.214 -26.343 -12.240 1.00 44.43 H new ATOM 0 HB3 ASN A 13 12.792 -26.173 -10.594 1.00 44.43 H new ATOM 0 HD21 ASN A 13 15.056 -28.168 -13.148 1.00 45.21 H new ATOM 0 HD22 ASN A 13 13.876 -26.903 -13.509 1.00 45.21 H new ATOM 201 N PHE A 14 9.847 -29.497 -11.592 1.00 10.43 N ATOM 202 CA PHE A 14 9.310 -30.473 -12.533 1.00 14.44 C ATOM 203 C PHE A 14 8.134 -31.228 -11.920 1.00 61.42 C ATOM 204 O PHE A 14 7.872 -32.379 -12.269 1.00 1.23 O ATOM 205 CB PHE A 14 10.400 -31.459 -12.955 1.00 62.13 C ATOM 206 CG PHE A 14 10.555 -32.620 -12.016 1.00 21.45 C ATOM 207 CD1 PHE A 14 10.633 -32.416 -10.647 1.00 50.14 C ATOM 208 CD2 PHE A 14 10.623 -33.917 -12.500 1.00 43.33 C ATOM 209 CE1 PHE A 14 10.775 -33.482 -9.780 1.00 21.43 C ATOM 210 CE2 PHE A 14 10.765 -34.987 -11.638 1.00 11.05 C ATOM 211 CZ PHE A 14 10.842 -34.770 -10.276 1.00 2.43 C ATOM 0 H PHE A 14 9.399 -29.503 -10.676 1.00 10.43 H new ATOM 0 HA PHE A 14 8.956 -29.936 -13.413 1.00 14.44 H new ATOM 0 HB2 PHE A 14 10.171 -31.836 -13.952 1.00 62.13 H new ATOM 0 HB3 PHE A 14 11.350 -30.930 -13.025 1.00 62.13 H new ATOM 0 HD1 PHE A 14 10.582 -31.411 -10.254 1.00 50.14 H new ATOM 0 HD2 PHE A 14 10.564 -34.093 -13.564 1.00 43.33 H new ATOM 0 HE1 PHE A 14 10.834 -33.309 -8.716 1.00 21.43 H new ATOM 0 HE2 PHE A 14 10.816 -35.993 -12.029 1.00 11.05 H new ATOM 0 HZ PHE A 14 10.954 -35.605 -9.600 1.00 2.43 H new ATOM 221 N GLY A 15 7.429 -30.572 -11.004 1.00 32.02 N ATOM 222 CA GLY A 15 6.290 -31.197 -10.356 1.00 41.33 C ATOM 223 C GLY A 15 6.024 -30.628 -8.976 1.00 60.45 C ATOM 224 O GLY A 15 5.890 -31.373 -8.006 1.00 52.32 O ATOM 0 H GLY A 15 7.626 -29.619 -10.699 1.00 32.02 H new ATOM 0 HA2 GLY A 15 5.404 -31.064 -10.977 1.00 41.33 H new ATOM 0 HA3 GLY A 15 6.465 -32.270 -10.276 1.00 41.33 H new ATOM 228 N GLY A 16 5.949 -29.304 -8.888 1.00 0.22 N ATOM 229 CA GLY A 16 5.700 -28.659 -7.612 1.00 54.41 C ATOM 230 C GLY A 16 4.793 -27.451 -7.741 1.00 1.43 C ATOM 231 O GLY A 16 4.475 -27.018 -8.849 1.00 32.52 O ATOM 0 H GLY A 16 6.056 -28.667 -9.677 1.00 0.22 H new ATOM 0 HA2 GLY A 16 5.249 -29.377 -6.927 1.00 54.41 H new ATOM 0 HA3 GLY A 16 6.649 -28.352 -7.172 1.00 54.41 H new ATOM 235 N LYS A 17 4.374 -26.904 -6.605 1.00 11.24 N ATOM 236 CA LYS A 17 3.498 -25.738 -6.593 1.00 72.43 C ATOM 237 C LYS A 17 4.310 -24.447 -6.571 1.00 71.44 C ATOM 238 O LYS A 17 5.502 -24.458 -6.264 1.00 13.24 O ATOM 239 CB LYS A 17 2.565 -25.787 -5.381 1.00 22.41 C ATOM 240 CG LYS A 17 1.271 -25.017 -5.578 1.00 32.43 C ATOM 241 CD LYS A 17 1.156 -23.860 -4.600 1.00 44.10 C ATOM 242 CE LYS A 17 0.941 -24.351 -3.177 1.00 31.51 C ATOM 243 NZ LYS A 17 -0.261 -23.732 -2.552 1.00 63.21 N ATOM 0 H LYS A 17 4.627 -27.250 -5.679 1.00 11.24 H new ATOM 0 HA LYS A 17 2.900 -25.755 -7.504 1.00 72.43 H new ATOM 0 HB2 LYS A 17 2.328 -26.827 -5.157 1.00 22.41 H new ATOM 0 HB3 LYS A 17 3.089 -25.385 -4.514 1.00 22.41 H new ATOM 0 HG2 LYS A 17 1.224 -24.638 -6.599 1.00 32.43 H new ATOM 0 HG3 LYS A 17 0.423 -25.690 -5.449 1.00 32.43 H new ATOM 0 HD2 LYS A 17 2.061 -23.254 -4.644 1.00 44.10 H new ATOM 0 HD3 LYS A 17 0.327 -23.216 -4.893 1.00 44.10 H new ATOM 0 HE2 LYS A 17 0.831 -25.435 -3.180 1.00 31.51 H new ATOM 0 HE3 LYS A 17 1.821 -24.121 -2.577 1.00 31.51 H new ATOM 0 HZ1 LYS A 17 -0.373 -24.092 -1.583 1.00 63.21 H new ATOM 0 HZ2 LYS A 17 -0.146 -22.699 -2.526 1.00 63.21 H new ATOM 0 HZ3 LYS A 17 -1.105 -23.972 -3.110 1.00 63.21 H new ATOM 257 N SER A 18 3.657 -23.337 -6.898 1.00 54.15 N ATOM 258 CA SER A 18 4.319 -22.038 -6.918 1.00 61.14 C ATOM 259 C SER A 18 3.336 -20.922 -6.579 1.00 42.41 C ATOM 260 O SER A 18 2.125 -21.078 -6.732 1.00 15.11 O ATOM 261 CB SER A 18 4.945 -21.782 -8.291 1.00 21.23 C ATOM 262 OG SER A 18 3.993 -21.246 -9.193 1.00 65.04 O ATOM 0 H SER A 18 2.670 -23.311 -7.153 1.00 54.15 H new ATOM 0 HA SER A 18 5.106 -22.047 -6.164 1.00 61.14 H new ATOM 0 HB2 SER A 18 5.783 -21.092 -8.189 1.00 21.23 H new ATOM 0 HB3 SER A 18 5.346 -22.713 -8.691 1.00 21.23 H new ATOM 0 HG SER A 18 4.432 -21.032 -10.043 1.00 65.04 H new ATOM 268 N PHE A 19 3.867 -19.794 -6.118 1.00 23.35 N ATOM 269 CA PHE A 19 3.038 -18.651 -5.755 1.00 42.10 C ATOM 270 C PHE A 19 3.216 -17.511 -6.754 1.00 63.41 C ATOM 271 O PHE A 19 4.243 -16.832 -6.761 1.00 63.52 O ATOM 272 CB PHE A 19 3.387 -18.168 -4.346 1.00 13.43 C ATOM 273 CG PHE A 19 3.523 -19.281 -3.347 1.00 24.01 C ATOM 274 CD1 PHE A 19 2.587 -20.301 -3.294 1.00 61.13 C ATOM 275 CD2 PHE A 19 4.588 -19.308 -2.461 1.00 45.01 C ATOM 276 CE1 PHE A 19 2.710 -21.326 -2.376 1.00 23.34 C ATOM 277 CE2 PHE A 19 4.717 -20.331 -1.540 1.00 42.15 C ATOM 278 CZ PHE A 19 3.777 -21.342 -1.499 1.00 2.15 C ATOM 0 H PHE A 19 4.868 -19.647 -5.987 1.00 23.35 H new ATOM 0 HA PHE A 19 1.996 -18.969 -5.775 1.00 42.10 H new ATOM 0 HB2 PHE A 19 4.322 -17.608 -4.384 1.00 13.43 H new ATOM 0 HB3 PHE A 19 2.615 -17.478 -4.006 1.00 13.43 H new ATOM 0 HD1 PHE A 19 1.751 -20.295 -3.978 1.00 61.13 H new ATOM 0 HD2 PHE A 19 5.326 -18.520 -2.490 1.00 45.01 H new ATOM 0 HE1 PHE A 19 1.972 -22.114 -2.344 1.00 23.34 H new ATOM 0 HE2 PHE A 19 5.551 -20.340 -0.854 1.00 42.15 H new ATOM 0 HZ PHE A 19 3.876 -22.144 -0.782 1.00 2.15 H new ATOM 288 N ASP A 20 2.209 -17.309 -7.596 1.00 43.54 N ATOM 289 CA ASP A 20 2.253 -16.252 -8.600 1.00 41.51 C ATOM 290 C ASP A 20 1.047 -15.327 -8.468 1.00 40.34 C ATOM 291 O ASP A 20 0.161 -15.320 -9.323 1.00 23.34 O ATOM 292 CB ASP A 20 2.298 -16.854 -10.005 1.00 60.50 C ATOM 293 CG ASP A 20 1.289 -17.971 -10.188 1.00 60.04 C ATOM 294 OD1 ASP A 20 1.561 -19.099 -9.726 1.00 41.00 O ATOM 295 OD2 ASP A 20 0.227 -17.717 -10.793 1.00 51.35 O ATOM 0 H ASP A 20 1.352 -17.863 -7.604 1.00 43.54 H new ATOM 0 HA ASP A 20 3.158 -15.667 -8.436 1.00 41.51 H new ATOM 0 HB2 ASP A 20 2.106 -16.071 -10.739 1.00 60.50 H new ATOM 0 HB3 ASP A 20 3.299 -17.237 -10.201 1.00 60.50 H new ATOM 473 N LYS A 35 14.076 -28.860 2.815 1.00 34.13 N ATOM 474 CA LYS A 35 14.717 -27.807 2.038 1.00 43.31 C ATOM 475 C LYS A 35 15.131 -28.321 0.663 1.00 51.44 C ATOM 476 O LYS A 35 16.139 -29.015 0.527 1.00 50.44 O ATOM 477 CB LYS A 35 15.941 -27.269 2.782 1.00 4.33 C ATOM 478 CG LYS A 35 16.810 -26.350 1.941 1.00 50.14 C ATOM 479 CD LYS A 35 16.003 -25.204 1.353 1.00 65.01 C ATOM 480 CE LYS A 35 15.883 -25.325 -0.158 1.00 72.05 C ATOM 481 NZ LYS A 35 14.499 -25.040 -0.629 1.00 31.31 N ATOM 0 HA LYS A 35 13.997 -27.000 1.904 1.00 43.31 H new ATOM 0 HB2 LYS A 35 15.608 -26.729 3.669 1.00 4.33 H new ATOM 0 HB3 LYS A 35 16.544 -28.109 3.128 1.00 4.33 H new ATOM 0 HG2 LYS A 35 17.618 -25.950 2.554 1.00 50.14 H new ATOM 0 HG3 LYS A 35 17.273 -26.921 1.136 1.00 50.14 H new ATOM 0 HD2 LYS A 35 15.008 -25.192 1.798 1.00 65.01 H new ATOM 0 HD3 LYS A 35 16.477 -24.256 1.607 1.00 65.01 H new ATOM 0 HE2 LYS A 35 16.578 -24.634 -0.634 1.00 72.05 H new ATOM 0 HE3 LYS A 35 16.172 -26.330 -0.466 1.00 72.05 H new ATOM 0 HZ1 LYS A 35 14.380 -25.403 -1.596 1.00 31.31 H new ATOM 0 HZ2 LYS A 35 13.815 -25.504 0.002 1.00 31.31 H new ATOM 0 HZ3 LYS A 35 14.335 -24.013 -0.622 1.00 31.31 H new ATOM 495 N ILE A 36 14.348 -27.974 -0.353 1.00 73.54 N ATOM 496 CA ILE A 36 14.635 -28.399 -1.718 1.00 20.01 C ATOM 497 C ILE A 36 13.575 -27.887 -2.688 1.00 23.04 C ATOM 498 O ILE A 36 12.474 -28.431 -2.763 1.00 54.11 O ATOM 499 CB ILE A 36 14.714 -29.933 -1.825 1.00 64.41 C ATOM 500 CG1 ILE A 36 14.809 -30.360 -3.292 1.00 14.34 C ATOM 501 CG2 ILE A 36 13.507 -30.574 -1.158 1.00 75.11 C ATOM 502 CD1 ILE A 36 15.044 -31.843 -3.476 1.00 1.52 C ATOM 0 H ILE A 36 13.510 -27.400 -0.257 1.00 73.54 H new ATOM 0 HA ILE A 36 15.603 -27.974 -1.984 1.00 20.01 H new ATOM 0 HB ILE A 36 15.612 -30.272 -1.309 1.00 64.41 H new ATOM 0 HG12 ILE A 36 13.888 -30.080 -3.804 1.00 14.34 H new ATOM 0 HG13 ILE A 36 15.619 -29.810 -3.770 1.00 14.34 H new ATOM 0 HG21 ILE A 36 13.578 -31.658 -1.242 1.00 75.11 H new ATOM 0 HG22 ILE A 36 13.481 -30.293 -0.105 1.00 75.11 H new ATOM 0 HG23 ILE A 36 12.596 -30.231 -1.648 1.00 75.11 H new ATOM 0 HD11 ILE A 36 15.100 -32.073 -4.540 1.00 1.52 H new ATOM 0 HD12 ILE A 36 15.980 -32.126 -2.993 1.00 1.52 H new ATOM 0 HD13 ILE A 36 14.222 -32.400 -3.027 1.00 1.52 H new ATOM 514 N SER A 37 13.917 -26.838 -3.429 1.00 60.33 N ATOM 515 CA SER A 37 12.994 -26.251 -4.394 1.00 4.03 C ATOM 516 C SER A 37 13.716 -25.261 -5.303 1.00 64.31 C ATOM 517 O SER A 37 14.946 -25.197 -5.318 1.00 34.45 O ATOM 518 CB SER A 37 11.844 -25.549 -3.669 1.00 60.50 C ATOM 519 OG SER A 37 12.269 -24.318 -3.110 1.00 75.33 O ATOM 0 H SER A 37 14.826 -26.377 -3.380 1.00 60.33 H new ATOM 0 HA SER A 37 12.590 -27.055 -5.009 1.00 4.03 H new ATOM 0 HB2 SER A 37 11.025 -25.372 -4.366 1.00 60.50 H new ATOM 0 HB3 SER A 37 11.458 -26.196 -2.881 1.00 60.50 H new ATOM 0 HG SER A 37 11.607 -23.623 -3.308 1.00 75.33 H new ATOM 525 N SER A 38 12.943 -24.491 -6.061 1.00 53.12 N ATOM 526 CA SER A 38 13.507 -23.506 -6.977 1.00 21.40 C ATOM 527 C SER A 38 13.012 -22.104 -6.639 1.00 53.51 C ATOM 528 O SER A 38 11.870 -21.922 -6.216 1.00 74.02 O ATOM 529 CB SER A 38 13.142 -23.854 -8.421 1.00 63.34 C ATOM 530 OG SER A 38 12.697 -25.196 -8.526 1.00 50.51 O ATOM 0 H SER A 38 11.924 -24.530 -6.059 1.00 53.12 H new ATOM 0 HA SER A 38 14.591 -23.525 -6.869 1.00 21.40 H new ATOM 0 HB2 SER A 38 12.362 -23.180 -8.775 1.00 63.34 H new ATOM 0 HB3 SER A 38 14.009 -23.704 -9.065 1.00 63.34 H new ATOM 0 HG SER A 38 11.780 -25.210 -8.870 1.00 50.51 H new ATOM 536 N ILE A 39 13.879 -21.115 -6.829 1.00 21.12 N ATOM 537 CA ILE A 39 13.530 -19.728 -6.546 1.00 23.44 C ATOM 538 C ILE A 39 13.672 -18.860 -7.791 1.00 65.42 C ATOM 539 O ILE A 39 14.743 -18.792 -8.396 1.00 31.43 O ATOM 540 CB ILE A 39 14.409 -19.145 -5.424 1.00 4.32 C ATOM 541 CG1 ILE A 39 13.712 -19.294 -4.070 1.00 24.11 C ATOM 542 CG2 ILE A 39 14.725 -17.683 -5.705 1.00 23.23 C ATOM 543 CD1 ILE A 39 13.295 -20.714 -3.758 1.00 63.45 C ATOM 0 H ILE A 39 14.828 -21.248 -7.178 1.00 21.12 H new ATOM 0 HA ILE A 39 12.490 -19.724 -6.221 1.00 23.44 H new ATOM 0 HB ILE A 39 15.347 -19.700 -5.392 1.00 4.32 H new ATOM 0 HG12 ILE A 39 14.381 -18.940 -3.285 1.00 24.11 H new ATOM 0 HG13 ILE A 39 12.831 -18.653 -4.052 1.00 24.11 H new ATOM 0 HG21 ILE A 39 15.347 -17.285 -4.903 1.00 23.23 H new ATOM 0 HG22 ILE A 39 15.258 -17.602 -6.652 1.00 23.23 H new ATOM 0 HG23 ILE A 39 13.797 -17.114 -5.761 1.00 23.23 H new ATOM 0 HD11 ILE A 39 12.808 -20.744 -2.784 1.00 63.45 H new ATOM 0 HD12 ILE A 39 12.601 -21.066 -4.522 1.00 63.45 H new ATOM 0 HD13 ILE A 39 14.175 -21.357 -3.744 1.00 63.45 H new ATOM 555 N LYS A 40 12.586 -18.196 -8.170 1.00 11.14 N ATOM 556 CA LYS A 40 12.588 -17.328 -9.342 1.00 23.44 C ATOM 557 C LYS A 40 12.311 -15.881 -8.948 1.00 25.02 C ATOM 558 O LYS A 40 11.346 -15.593 -8.241 1.00 35.31 O ATOM 559 CB LYS A 40 11.543 -17.802 -10.354 1.00 13.50 C ATOM 560 CG LYS A 40 11.833 -17.362 -11.779 1.00 30.14 C ATOM 561 CD LYS A 40 10.560 -17.262 -12.602 1.00 33.52 C ATOM 562 CE LYS A 40 10.807 -17.629 -14.057 1.00 72.41 C ATOM 563 NZ LYS A 40 9.706 -18.463 -14.614 1.00 35.35 N ATOM 0 H LYS A 40 11.692 -18.242 -7.682 1.00 11.14 H new ATOM 0 HA LYS A 40 13.576 -17.378 -9.799 1.00 23.44 H new ATOM 0 HB2 LYS A 40 11.487 -18.890 -10.323 1.00 13.50 H new ATOM 0 HB3 LYS A 40 10.565 -17.424 -10.058 1.00 13.50 H new ATOM 0 HG2 LYS A 40 12.336 -16.395 -11.767 1.00 30.14 H new ATOM 0 HG3 LYS A 40 12.516 -18.071 -12.248 1.00 30.14 H new ATOM 0 HD2 LYS A 40 9.801 -17.923 -12.183 1.00 33.52 H new ATOM 0 HD3 LYS A 40 10.166 -16.247 -12.543 1.00 33.52 H new ATOM 0 HE2 LYS A 40 10.908 -16.719 -14.649 1.00 72.41 H new ATOM 0 HE3 LYS A 40 11.750 -18.170 -14.140 1.00 72.41 H new ATOM 0 HZ1 LYS A 40 9.912 -18.692 -15.607 1.00 35.35 H new ATOM 0 HZ2 LYS A 40 9.626 -19.343 -14.066 1.00 35.35 H new ATOM 0 HZ3 LYS A 40 8.810 -17.937 -14.559 1.00 35.35 H new ATOM 577 N VAL A 41 13.165 -14.973 -9.411 1.00 14.11 N ATOM 578 CA VAL A 41 13.010 -13.555 -9.109 1.00 42.21 C ATOM 579 C VAL A 41 13.446 -12.691 -10.288 1.00 23.55 C ATOM 580 O VAL A 41 14.444 -12.981 -10.949 1.00 34.43 O ATOM 581 CB VAL A 41 13.824 -13.154 -7.864 1.00 71.13 C ATOM 582 CG1 VAL A 41 15.279 -13.567 -8.022 1.00 44.41 C ATOM 583 CG2 VAL A 41 13.709 -11.658 -7.612 1.00 64.24 C ATOM 0 H VAL A 41 13.971 -15.194 -9.996 1.00 14.11 H new ATOM 0 HA VAL A 41 11.951 -13.387 -8.911 1.00 42.21 H new ATOM 0 HB VAL A 41 13.415 -13.677 -6.999 1.00 71.13 H new ATOM 0 HG11 VAL A 41 15.839 -13.276 -7.133 1.00 44.41 H new ATOM 0 HG12 VAL A 41 15.339 -14.648 -8.150 1.00 44.41 H new ATOM 0 HG13 VAL A 41 15.704 -13.074 -8.896 1.00 44.41 H new ATOM 0 HG21 VAL A 41 14.290 -11.392 -6.729 1.00 64.24 H new ATOM 0 HG22 VAL A 41 14.091 -11.113 -8.475 1.00 64.24 H new ATOM 0 HG23 VAL A 41 12.663 -11.395 -7.451 1.00 64.24 H new ATOM 593 N LYS A 42 12.693 -11.628 -10.546 1.00 33.05 N ATOM 594 CA LYS A 42 13.001 -10.719 -11.643 1.00 61.33 C ATOM 595 C LYS A 42 12.729 -9.272 -11.245 1.00 23.34 C ATOM 596 O LYS A 42 12.220 -8.484 -12.041 1.00 71.23 O ATOM 597 CB LYS A 42 12.176 -11.082 -12.880 1.00 71.31 C ATOM 598 CG LYS A 42 12.660 -12.336 -13.588 1.00 33.25 C ATOM 599 CD LYS A 42 13.667 -12.008 -14.677 1.00 75.44 C ATOM 600 CE LYS A 42 15.059 -11.794 -14.104 1.00 12.22 C ATOM 601 NZ LYS A 42 16.095 -12.543 -14.867 1.00 33.40 N ATOM 0 H LYS A 42 11.864 -11.374 -10.009 1.00 33.05 H new ATOM 0 HA LYS A 42 14.061 -10.819 -11.877 1.00 61.33 H new ATOM 0 HB2 LYS A 42 11.136 -11.220 -12.585 1.00 71.31 H new ATOM 0 HB3 LYS A 42 12.200 -10.247 -13.580 1.00 71.31 H new ATOM 0 HG2 LYS A 42 13.114 -13.012 -12.863 1.00 33.25 H new ATOM 0 HG3 LYS A 42 11.809 -12.860 -14.024 1.00 33.25 H new ATOM 0 HD2 LYS A 42 13.693 -12.818 -15.406 1.00 75.44 H new ATOM 0 HD3 LYS A 42 13.350 -11.111 -15.209 1.00 75.44 H new ATOM 0 HE2 LYS A 42 15.297 -10.730 -14.117 1.00 12.22 H new ATOM 0 HE3 LYS A 42 15.075 -12.112 -13.062 1.00 12.22 H new ATOM 0 HZ1 LYS A 42 17.030 -12.371 -14.445 1.00 33.40 H new ATOM 0 HZ2 LYS A 42 15.883 -13.561 -14.834 1.00 33.40 H new ATOM 0 HZ3 LYS A 42 16.098 -12.222 -15.856 1.00 33.40 H new ATOM 615 N SER A 43 13.074 -8.929 -10.007 1.00 72.45 N ATOM 616 CA SER A 43 12.865 -7.577 -9.503 1.00 33.53 C ATOM 617 C SER A 43 13.342 -7.457 -8.059 1.00 3.23 C ATOM 618 O SER A 43 13.128 -8.354 -7.245 1.00 33.10 O ATOM 619 CB SER A 43 11.385 -7.199 -9.596 1.00 3.32 C ATOM 620 OG SER A 43 10.762 -7.261 -8.325 1.00 30.13 O ATOM 0 H SER A 43 13.499 -9.569 -9.336 1.00 72.45 H new ATOM 0 HA SER A 43 13.447 -6.891 -10.119 1.00 33.53 H new ATOM 0 HB2 SER A 43 11.288 -6.192 -10.003 1.00 3.32 H new ATOM 0 HB3 SER A 43 10.877 -7.872 -10.287 1.00 3.32 H new ATOM 0 HG SER A 43 9.818 -7.014 -8.411 1.00 30.13 H new ATOM 626 N GLY A 44 13.992 -6.339 -7.748 1.00 63.13 N ATOM 627 CA GLY A 44 14.491 -6.120 -6.403 1.00 71.12 C ATOM 628 C GLY A 44 15.358 -7.263 -5.913 1.00 51.10 C ATOM 629 O GLY A 44 15.797 -8.102 -6.700 1.00 40.24 O ATOM 0 H GLY A 44 14.182 -5.581 -8.404 1.00 63.13 H new ATOM 0 HA2 GLY A 44 15.067 -5.195 -6.379 1.00 71.12 H new ATOM 0 HA3 GLY A 44 13.649 -5.989 -5.723 1.00 71.12 H new ATOM 633 N THR A 45 15.608 -7.297 -4.608 1.00 14.34 N ATOM 634 CA THR A 45 16.430 -8.343 -4.014 1.00 1.13 C ATOM 635 C THR A 45 15.927 -8.715 -2.624 1.00 2.04 C ATOM 636 O THR A 45 15.451 -7.860 -1.876 1.00 61.43 O ATOM 637 CB THR A 45 17.905 -7.910 -3.915 1.00 10.33 C ATOM 638 OG1 THR A 45 18.030 -6.798 -3.020 1.00 62.53 O ATOM 639 CG2 THR A 45 18.450 -7.530 -5.283 1.00 44.10 C ATOM 0 H THR A 45 15.252 -6.611 -3.942 1.00 14.34 H new ATOM 0 HA THR A 45 16.357 -9.212 -4.668 1.00 1.13 H new ATOM 0 HB THR A 45 18.483 -8.751 -3.532 1.00 10.33 H new ATOM 0 HG1 THR A 45 18.971 -6.530 -2.961 1.00 62.53 H new ATOM 0 HG21 THR A 45 19.493 -7.228 -5.188 1.00 44.10 H new ATOM 0 HG22 THR A 45 18.380 -8.387 -5.953 1.00 44.10 H new ATOM 0 HG23 THR A 45 17.868 -6.703 -5.690 1.00 44.10 H new ATOM 647 N TRP A 46 16.036 -9.994 -2.283 1.00 44.11 N ATOM 648 CA TRP A 46 15.593 -10.479 -0.981 1.00 13.51 C ATOM 649 C TRP A 46 16.725 -11.192 -0.251 1.00 21.31 C ATOM 650 O TRP A 46 17.456 -11.985 -0.845 1.00 31.32 O ATOM 651 CB TRP A 46 14.400 -11.422 -1.144 1.00 60.13 C ATOM 652 CG TRP A 46 13.484 -11.033 -2.265 1.00 30.01 C ATOM 653 CD1 TRP A 46 13.023 -9.779 -2.549 1.00 62.21 C ATOM 654 CD2 TRP A 46 12.916 -11.904 -3.249 1.00 45.15 C ATOM 655 NE1 TRP A 46 12.203 -9.818 -3.651 1.00 64.21 N ATOM 656 CE2 TRP A 46 12.122 -11.110 -4.100 1.00 4.11 C ATOM 657 CE3 TRP A 46 13.003 -13.276 -3.497 1.00 24.52 C ATOM 658 CZ2 TRP A 46 11.421 -11.645 -5.177 1.00 34.03 C ATOM 659 CZ3 TRP A 46 12.306 -13.806 -4.566 1.00 20.22 C ATOM 660 CH2 TRP A 46 11.524 -12.992 -5.395 1.00 54.15 C ATOM 0 H TRP A 46 16.427 -10.714 -2.890 1.00 44.11 H new ATOM 0 HA TRP A 46 15.288 -9.619 -0.385 1.00 13.51 H new ATOM 0 HB2 TRP A 46 14.767 -12.434 -1.318 1.00 60.13 H new ATOM 0 HB3 TRP A 46 13.834 -11.444 -0.213 1.00 60.13 H new ATOM 0 HD1 TRP A 46 13.267 -8.888 -1.990 1.00 62.21 H new ATOM 0 HE1 TRP A 46 11.731 -9.015 -4.067 1.00 64.21 H new ATOM 0 HE3 TRP A 46 13.605 -13.912 -2.864 1.00 24.52 H new ATOM 0 HZ2 TRP A 46 10.817 -11.019 -5.818 1.00 34.03 H new ATOM 0 HZ3 TRP A 46 12.365 -14.866 -4.766 1.00 20.22 H new ATOM 0 HH2 TRP A 46 10.992 -13.436 -6.223 1.00 54.15 H new ATOM 671 N ARG A 47 16.865 -10.906 1.039 1.00 32.13 N ATOM 672 CA ARG A 47 17.910 -11.521 1.849 1.00 14.45 C ATOM 673 C ARG A 47 17.506 -12.928 2.280 1.00 3.25 C ATOM 674 O ARG A 47 16.445 -13.127 2.871 1.00 35.10 O ATOM 675 CB ARG A 47 18.200 -10.662 3.082 1.00 45.03 C ATOM 676 CG ARG A 47 18.853 -9.329 2.755 1.00 40.23 C ATOM 677 CD ARG A 47 17.860 -8.182 2.859 1.00 52.01 C ATOM 678 NE ARG A 47 18.423 -6.925 2.374 1.00 12.43 N ATOM 679 CZ ARG A 47 17.866 -5.738 2.590 1.00 35.33 C ATOM 680 NH1 ARG A 47 16.736 -5.648 3.279 1.00 24.15 N ATOM 681 NH2 ARG A 47 18.438 -4.639 2.117 1.00 41.21 N ATOM 0 H ARG A 47 16.268 -10.252 1.546 1.00 32.13 H new ATOM 0 HA ARG A 47 18.813 -11.591 1.242 1.00 14.45 H new ATOM 0 HB2 ARG A 47 17.267 -10.479 3.615 1.00 45.03 H new ATOM 0 HB3 ARG A 47 18.849 -11.219 3.758 1.00 45.03 H new ATOM 0 HG2 ARG A 47 19.686 -9.154 3.436 1.00 40.23 H new ATOM 0 HG3 ARG A 47 19.267 -9.363 1.747 1.00 40.23 H new ATOM 0 HD2 ARG A 47 16.965 -8.424 2.285 1.00 52.01 H new ATOM 0 HD3 ARG A 47 17.550 -8.064 3.897 1.00 52.01 H new ATOM 0 HE ARG A 47 19.291 -6.960 1.840 1.00 12.43 H new ATOM 0 HH11 ARG A 47 16.293 -6.491 3.644 1.00 24.15 H new ATOM 0 HH12 ARG A 47 16.310 -4.736 3.444 1.00 24.15 H new ATOM 0 HH21 ARG A 47 19.307 -4.704 1.587 1.00 41.21 H new ATOM 0 HH22 ARG A 47 18.009 -3.729 2.284 1.00 41.21 H new ATOM 695 N PHE A 48 18.361 -13.900 1.981 1.00 74.54 N ATOM 696 CA PHE A 48 18.093 -15.289 2.335 1.00 30.44 C ATOM 697 C PHE A 48 19.085 -15.783 3.385 1.00 75.42 C ATOM 698 O PHE A 48 20.298 -15.710 3.191 1.00 2.21 O ATOM 699 CB PHE A 48 18.164 -16.178 1.092 1.00 33.31 C ATOM 700 CG PHE A 48 16.818 -16.505 0.512 1.00 74.35 C ATOM 701 CD1 PHE A 48 16.078 -17.570 1.000 1.00 32.04 C ATOM 702 CD2 PHE A 48 16.292 -15.748 -0.523 1.00 12.35 C ATOM 703 CE1 PHE A 48 14.839 -17.873 0.467 1.00 23.43 C ATOM 704 CE2 PHE A 48 15.054 -16.046 -1.059 1.00 75.13 C ATOM 705 CZ PHE A 48 14.326 -17.110 -0.563 1.00 11.21 C ATOM 0 H PHE A 48 19.245 -13.752 1.495 1.00 74.54 H new ATOM 0 HA PHE A 48 17.088 -15.344 2.754 1.00 30.44 H new ATOM 0 HB2 PHE A 48 18.767 -15.680 0.333 1.00 33.31 H new ATOM 0 HB3 PHE A 48 18.676 -17.106 1.347 1.00 33.31 H new ATOM 0 HD1 PHE A 48 16.474 -18.170 1.806 1.00 32.04 H new ATOM 0 HD2 PHE A 48 16.857 -14.915 -0.915 1.00 12.35 H new ATOM 0 HE1 PHE A 48 14.273 -18.706 0.856 1.00 23.43 H new ATOM 0 HE2 PHE A 48 14.656 -15.448 -1.865 1.00 75.13 H new ATOM 0 HZ PHE A 48 13.358 -17.345 -0.980 1.00 11.21 H new ATOM 715 N TYR A 49 18.559 -16.286 4.496 1.00 33.21 N ATOM 716 CA TYR A 49 19.396 -16.790 5.578 1.00 4.21 C ATOM 717 C TYR A 49 18.809 -18.066 6.173 1.00 14.45 C ATOM 718 O TYR A 49 17.644 -18.099 6.569 1.00 10.10 O ATOM 719 CB TYR A 49 19.550 -15.728 6.669 1.00 71.43 C ATOM 720 CG TYR A 49 18.502 -14.640 6.607 1.00 72.35 C ATOM 721 CD1 TYR A 49 17.225 -14.849 7.114 1.00 41.22 C ATOM 722 CD2 TYR A 49 18.788 -13.404 6.040 1.00 74.41 C ATOM 723 CE1 TYR A 49 16.264 -13.858 7.059 1.00 71.04 C ATOM 724 CE2 TYR A 49 17.833 -12.407 5.982 1.00 63.42 C ATOM 725 CZ TYR A 49 16.573 -12.639 6.492 1.00 0.02 C ATOM 726 OH TYR A 49 15.619 -11.649 6.435 1.00 41.21 O ATOM 0 H TYR A 49 17.557 -16.356 4.671 1.00 33.21 H new ATOM 0 HA TYR A 49 20.378 -17.022 5.165 1.00 4.21 H new ATOM 0 HB2 TYR A 49 19.502 -16.212 7.645 1.00 71.43 H new ATOM 0 HB3 TYR A 49 20.538 -15.275 6.586 1.00 71.43 H new ATOM 0 HD1 TYR A 49 16.980 -15.802 7.559 1.00 41.22 H new ATOM 0 HD2 TYR A 49 19.773 -13.220 5.638 1.00 74.41 H new ATOM 0 HE1 TYR A 49 15.276 -14.037 7.458 1.00 71.04 H new ATOM 0 HE2 TYR A 49 18.072 -11.451 5.540 1.00 63.42 H new ATOM 0 HH TYR A 49 15.998 -10.853 6.007 1.00 41.21 H new ATOM 736 N GLU A 50 19.625 -19.113 6.234 1.00 73.32 N ATOM 737 CA GLU A 50 19.186 -20.392 6.781 1.00 40.13 C ATOM 738 C GLU A 50 19.569 -20.514 8.253 1.00 64.33 C ATOM 739 O GLU A 50 20.642 -21.020 8.586 1.00 14.52 O ATOM 740 CB GLU A 50 19.796 -21.548 5.986 1.00 60.14 C ATOM 741 CG GLU A 50 19.221 -22.907 6.349 1.00 0.20 C ATOM 742 CD GLU A 50 19.797 -24.028 5.506 1.00 33.32 C ATOM 743 OE1 GLU A 50 21.038 -24.117 5.403 1.00 10.41 O ATOM 744 OE2 GLU A 50 19.005 -24.818 4.950 1.00 50.00 O ATOM 0 H GLU A 50 20.593 -19.101 5.912 1.00 73.32 H new ATOM 0 HA GLU A 50 18.100 -20.439 6.701 1.00 40.13 H new ATOM 0 HB2 GLU A 50 19.639 -21.369 4.922 1.00 60.14 H new ATOM 0 HB3 GLU A 50 20.873 -21.563 6.151 1.00 60.14 H new ATOM 0 HG2 GLU A 50 19.418 -23.111 7.402 1.00 0.20 H new ATOM 0 HG3 GLU A 50 18.138 -22.884 6.226 1.00 0.20 H new ATOM 751 N TYR A 51 18.686 -20.048 9.128 1.00 3.15 N ATOM 752 CA TYR A 51 18.932 -20.102 10.565 1.00 45.14 C ATOM 753 C TYR A 51 17.860 -19.333 11.330 1.00 2.04 C ATOM 754 O TYR A 51 16.845 -18.929 10.762 1.00 21.31 O ATOM 755 CB TYR A 51 20.314 -19.531 10.888 1.00 22.12 C ATOM 756 CG TYR A 51 21.271 -20.551 11.463 1.00 63.03 C ATOM 757 CD1 TYR A 51 20.994 -21.195 12.662 1.00 73.20 C ATOM 758 CD2 TYR A 51 22.453 -20.871 10.805 1.00 31.14 C ATOM 759 CE1 TYR A 51 21.866 -22.127 13.191 1.00 53.02 C ATOM 760 CE2 TYR A 51 23.330 -21.803 11.326 1.00 1.20 C ATOM 761 CZ TYR A 51 23.032 -22.428 12.519 1.00 4.51 C ATOM 762 OH TYR A 51 23.903 -23.356 13.042 1.00 71.21 O ATOM 0 H TYR A 51 17.793 -19.628 8.868 1.00 3.15 H new ATOM 0 HA TYR A 51 18.896 -21.146 10.876 1.00 45.14 H new ATOM 0 HB2 TYR A 51 20.746 -19.111 9.979 1.00 22.12 H new ATOM 0 HB3 TYR A 51 20.202 -18.710 11.596 1.00 22.12 H new ATOM 0 HD1 TYR A 51 20.081 -20.963 13.190 1.00 73.20 H new ATOM 0 HD2 TYR A 51 22.690 -20.383 9.871 1.00 31.14 H new ATOM 0 HE1 TYR A 51 21.636 -22.617 14.125 1.00 53.02 H new ATOM 0 HE2 TYR A 51 24.244 -22.041 10.802 1.00 1.20 H new ATOM 0 HH TYR A 51 24.675 -23.453 12.446 1.00 71.21 H new ATOM 772 N ILE A 52 18.094 -19.134 12.623 1.00 11.12 N ATOM 773 CA ILE A 52 17.150 -18.412 13.467 1.00 31.23 C ATOM 774 C ILE A 52 17.115 -16.930 13.110 1.00 22.05 C ATOM 775 O ILE A 52 17.918 -16.456 12.308 1.00 52.40 O ATOM 776 CB ILE A 52 17.501 -18.561 14.959 1.00 32.44 C ATOM 777 CG1 ILE A 52 18.927 -18.074 15.221 1.00 25.34 C ATOM 778 CG2 ILE A 52 17.340 -20.009 15.399 1.00 4.01 C ATOM 779 CD1 ILE A 52 19.323 -18.119 16.681 1.00 54.52 C ATOM 0 H ILE A 52 18.929 -19.462 13.109 1.00 11.12 H new ATOM 0 HA ILE A 52 16.168 -18.850 13.288 1.00 31.23 H new ATOM 0 HB ILE A 52 16.815 -17.946 15.542 1.00 32.44 H new ATOM 0 HG12 ILE A 52 19.622 -18.685 14.645 1.00 25.34 H new ATOM 0 HG13 ILE A 52 19.025 -17.051 14.858 1.00 25.34 H new ATOM 0 HG21 ILE A 52 17.592 -20.098 16.456 1.00 4.01 H new ATOM 0 HG22 ILE A 52 16.308 -20.324 15.244 1.00 4.01 H new ATOM 0 HG23 ILE A 52 18.005 -20.643 14.813 1.00 4.01 H new ATOM 0 HD11 ILE A 52 20.346 -17.760 16.792 1.00 54.52 H new ATOM 0 HD12 ILE A 52 18.651 -17.485 17.260 1.00 54.52 H new ATOM 0 HD13 ILE A 52 19.257 -19.145 17.044 1.00 54.52 H new ATOM 791 N ASN A 53 16.180 -16.203 13.714 1.00 23.32 N ATOM 792 CA ASN A 53 16.041 -14.774 13.461 1.00 5.22 C ATOM 793 C ASN A 53 17.089 -13.980 14.236 1.00 14.15 C ATOM 794 O ASN A 53 16.755 -13.085 15.013 1.00 13.03 O ATOM 795 CB ASN A 53 14.638 -14.300 13.846 1.00 24.52 C ATOM 796 CG ASN A 53 13.564 -15.293 13.447 1.00 55.13 C ATOM 797 OD1 ASN A 53 13.137 -15.332 12.293 1.00 53.44 O ATOM 798 ND2 ASN A 53 13.120 -16.102 14.402 1.00 5.54 N ATOM 0 H ASN A 53 15.508 -16.580 14.382 1.00 23.32 H new ATOM 0 HA ASN A 53 16.195 -14.602 12.396 1.00 5.22 H new ATOM 0 HB2 ASN A 53 14.595 -14.136 14.923 1.00 24.52 H new ATOM 0 HB3 ASN A 53 14.438 -13.341 13.369 1.00 24.52 H new ATOM 0 HD21 ASN A 53 12.397 -16.790 14.192 1.00 5.54 H new ATOM 0 HD22 ASN A 53 13.502 -16.035 15.345 1.00 5.54 H new ATOM 805 N TYR A 54 18.356 -14.314 14.019 1.00 11.54 N ATOM 806 CA TYR A 54 19.452 -13.633 14.699 1.00 63.54 C ATOM 807 C TYR A 54 20.717 -13.653 13.846 1.00 62.02 C ATOM 808 O TYR A 54 21.445 -12.664 13.771 1.00 13.31 O ATOM 809 CB TYR A 54 19.727 -14.290 16.053 1.00 53.13 C ATOM 810 CG TYR A 54 18.588 -14.146 17.037 1.00 21.01 C ATOM 811 CD1 TYR A 54 18.515 -13.051 17.890 1.00 75.44 C ATOM 812 CD2 TYR A 54 17.585 -15.105 17.114 1.00 41.30 C ATOM 813 CE1 TYR A 54 17.476 -12.917 18.791 1.00 45.51 C ATOM 814 CE2 TYR A 54 16.542 -14.977 18.011 1.00 24.23 C ATOM 815 CZ TYR A 54 16.493 -13.882 18.848 1.00 52.31 C ATOM 816 OH TYR A 54 15.456 -13.750 19.743 1.00 24.25 O ATOM 0 H TYR A 54 18.650 -15.051 13.378 1.00 11.54 H new ATOM 0 HA TYR A 54 19.158 -12.596 14.859 1.00 63.54 H new ATOM 0 HB2 TYR A 54 19.931 -15.350 15.899 1.00 53.13 H new ATOM 0 HB3 TYR A 54 20.627 -13.851 16.484 1.00 53.13 H new ATOM 0 HD1 TYR A 54 19.283 -12.293 17.848 1.00 75.44 H new ATOM 0 HD2 TYR A 54 17.622 -15.965 16.462 1.00 41.30 H new ATOM 0 HE1 TYR A 54 17.434 -12.060 19.447 1.00 45.51 H new ATOM 0 HE2 TYR A 54 15.769 -15.730 18.056 1.00 24.23 H new ATOM 0 HH TYR A 54 14.849 -14.514 19.655 1.00 24.25 H new ATOM 826 N GLY A 55 20.972 -14.789 13.203 1.00 43.42 N ATOM 827 CA GLY A 55 22.149 -14.917 12.363 1.00 73.41 C ATOM 828 C GLY A 55 21.925 -15.853 11.192 1.00 63.52 C ATOM 829 O GLY A 55 20.831 -15.909 10.632 1.00 2.31 O ATOM 0 H GLY A 55 20.385 -15.622 13.249 1.00 43.42 H new ATOM 0 HA2 GLY A 55 22.434 -13.934 11.989 1.00 73.41 H new ATOM 0 HA3 GLY A 55 22.982 -15.283 12.963 1.00 73.41 H new ATOM 833 N GLY A 56 22.967 -16.591 10.819 1.00 73.43 N ATOM 834 CA GLY A 56 22.859 -17.518 9.707 1.00 31.33 C ATOM 835 C GLY A 56 23.618 -17.046 8.483 1.00 71.30 C ATOM 836 O GLY A 56 24.167 -15.945 8.472 1.00 43.35 O ATOM 0 H GLY A 56 23.883 -16.563 11.267 1.00 73.43 H new ATOM 0 HA2 GLY A 56 23.239 -18.493 10.013 1.00 31.33 H new ATOM 0 HA3 GLY A 56 21.808 -17.651 9.450 1.00 31.33 H new ATOM 840 N ARG A 57 23.650 -17.882 7.450 1.00 23.12 N ATOM 841 CA ARG A 57 24.350 -17.545 6.216 1.00 23.25 C ATOM 842 C ARG A 57 23.664 -16.385 5.502 1.00 44.43 C ATOM 843 O ARG A 57 22.595 -16.549 4.915 1.00 53.24 O ATOM 844 CB ARG A 57 24.413 -18.762 5.292 1.00 74.32 C ATOM 845 CG ARG A 57 25.115 -18.489 3.972 1.00 62.20 C ATOM 846 CD ARG A 57 24.359 -19.098 2.802 1.00 54.33 C ATOM 847 NE ARG A 57 24.907 -20.393 2.409 1.00 23.13 N ATOM 848 CZ ARG A 57 24.678 -20.962 1.231 1.00 33.01 C ATOM 849 NH1 ARG A 57 23.914 -20.353 0.334 1.00 5.35 N ATOM 850 NH2 ARG A 57 25.213 -22.143 0.948 1.00 54.23 N ATOM 0 H ARG A 57 23.200 -18.797 7.443 1.00 23.12 H new ATOM 0 HA ARG A 57 25.364 -17.241 6.474 1.00 23.25 H new ATOM 0 HB2 ARG A 57 24.929 -19.572 5.807 1.00 74.32 H new ATOM 0 HB3 ARG A 57 23.399 -19.107 5.090 1.00 74.32 H new ATOM 0 HG2 ARG A 57 25.210 -17.413 3.825 1.00 62.20 H new ATOM 0 HG3 ARG A 57 26.125 -18.896 4.005 1.00 62.20 H new ATOM 0 HD2 ARG A 57 23.309 -19.215 3.071 1.00 54.33 H new ATOM 0 HD3 ARG A 57 24.396 -18.416 1.952 1.00 54.33 H new ATOM 0 HE ARG A 57 25.499 -20.888 3.076 1.00 23.13 H new ATOM 0 HH11 ARG A 57 23.501 -19.445 0.548 1.00 5.35 H new ATOM 0 HH12 ARG A 57 23.740 -20.792 -0.570 1.00 5.35 H new ATOM 0 HH21 ARG A 57 25.801 -22.615 1.635 1.00 54.23 H new ATOM 0 HH22 ARG A 57 25.036 -22.579 0.043 1.00 54.23 H new ATOM 864 N TYR A 58 24.287 -15.212 5.556 1.00 31.43 N ATOM 865 CA TYR A 58 23.735 -14.024 4.917 1.00 43.30 C ATOM 866 C TYR A 58 23.983 -14.050 3.412 1.00 44.11 C ATOM 867 O TYR A 58 25.092 -13.782 2.950 1.00 43.43 O ATOM 868 CB TYR A 58 24.349 -12.761 5.524 1.00 21.14 C ATOM 869 CG TYR A 58 24.021 -11.499 4.758 1.00 32.54 C ATOM 870 CD1 TYR A 58 22.749 -11.288 4.241 1.00 71.31 C ATOM 871 CD2 TYR A 58 24.983 -10.518 4.553 1.00 32.01 C ATOM 872 CE1 TYR A 58 22.445 -10.137 3.540 1.00 70.52 C ATOM 873 CE2 TYR A 58 24.687 -9.363 3.855 1.00 64.35 C ATOM 874 CZ TYR A 58 23.417 -9.178 3.349 1.00 4.05 C ATOM 875 OH TYR A 58 23.118 -8.030 2.653 1.00 42.51 O ATOM 0 H TYR A 58 25.174 -15.059 6.036 1.00 31.43 H new ATOM 0 HA TYR A 58 22.659 -14.016 5.090 1.00 43.30 H new ATOM 0 HB2 TYR A 58 23.999 -12.654 6.551 1.00 21.14 H new ATOM 0 HB3 TYR A 58 25.432 -12.878 5.567 1.00 21.14 H new ATOM 0 HD1 TYR A 58 21.985 -12.036 4.390 1.00 71.31 H new ATOM 0 HD2 TYR A 58 25.979 -10.661 4.946 1.00 32.01 H new ATOM 0 HE1 TYR A 58 21.451 -9.989 3.144 1.00 70.52 H new ATOM 0 HE2 TYR A 58 25.446 -8.609 3.706 1.00 64.35 H new ATOM 0 HH TYR A 58 23.912 -7.458 2.609 1.00 42.51 H new ATOM 885 N TRP A 59 22.943 -14.374 2.653 1.00 33.33 N ATOM 886 CA TRP A 59 23.046 -14.435 1.200 1.00 61.23 C ATOM 887 C TRP A 59 21.824 -13.806 0.540 1.00 31.02 C ATOM 888 O TRP A 59 20.727 -14.362 0.587 1.00 35.12 O ATOM 889 CB TRP A 59 23.200 -15.886 0.739 1.00 15.32 C ATOM 890 CG TRP A 59 22.631 -16.139 -0.624 1.00 63.24 C ATOM 891 CD1 TRP A 59 23.084 -15.631 -1.808 1.00 51.33 C ATOM 892 CD2 TRP A 59 21.504 -16.962 -0.944 1.00 30.05 C ATOM 893 NE1 TRP A 59 22.306 -16.088 -2.844 1.00 54.14 N ATOM 894 CE2 TRP A 59 21.330 -16.907 -2.340 1.00 42.14 C ATOM 895 CE3 TRP A 59 20.626 -17.742 -0.186 1.00 12.51 C ATOM 896 CZ2 TRP A 59 20.314 -17.601 -2.992 1.00 13.44 C ATOM 897 CZ3 TRP A 59 19.617 -18.429 -0.834 1.00 23.12 C ATOM 898 CH2 TRP A 59 19.468 -18.356 -2.225 1.00 43.11 C ATOM 0 H TRP A 59 22.018 -14.599 3.020 1.00 33.33 H new ATOM 0 HA TRP A 59 23.929 -13.870 0.900 1.00 61.23 H new ATOM 0 HB2 TRP A 59 24.258 -16.149 0.738 1.00 15.32 H new ATOM 0 HB3 TRP A 59 22.709 -16.542 1.458 1.00 15.32 H new ATOM 0 HD1 TRP A 59 23.930 -14.968 -1.914 1.00 51.33 H new ATOM 0 HE1 TRP A 59 22.434 -15.855 -3.829 1.00 54.14 H new ATOM 0 HE3 TRP A 59 20.734 -17.807 0.887 1.00 12.51 H new ATOM 0 HZ2 TRP A 59 20.198 -17.546 -4.064 1.00 13.44 H new ATOM 0 HZ3 TRP A 59 18.931 -19.033 -0.258 1.00 23.12 H new ATOM 0 HH2 TRP A 59 18.670 -18.906 -2.702 1.00 43.11 H new ATOM 909 N ASP A 60 22.021 -12.645 -0.074 1.00 14.42 N ATOM 910 CA ASP A 60 20.934 -11.940 -0.744 1.00 73.53 C ATOM 911 C ASP A 60 20.743 -12.462 -2.165 1.00 63.12 C ATOM 912 O ASP A 60 21.708 -12.825 -2.839 1.00 62.42 O ATOM 913 CB ASP A 60 21.213 -10.437 -0.773 1.00 15.12 C ATOM 914 CG ASP A 60 22.625 -10.118 -1.222 1.00 21.41 C ATOM 915 OD1 ASP A 60 23.558 -10.284 -0.409 1.00 23.55 O ATOM 916 OD2 ASP A 60 22.797 -9.704 -2.387 1.00 45.10 O ATOM 0 H ASP A 60 22.923 -12.172 -0.122 1.00 14.42 H new ATOM 0 HA ASP A 60 20.017 -12.120 -0.183 1.00 73.53 H new ATOM 0 HB2 ASP A 60 20.504 -9.952 -1.443 1.00 15.12 H new ATOM 0 HB3 ASP A 60 21.048 -10.021 0.221 1.00 15.12 H new ATOM 921 N LEU A 61 19.494 -12.498 -2.614 1.00 54.43 N ATOM 922 CA LEU A 61 19.176 -12.976 -3.955 1.00 52.13 C ATOM 923 C LEU A 61 18.970 -11.809 -4.915 1.00 45.44 C ATOM 924 O LEU A 61 18.328 -10.816 -4.574 1.00 64.30 O ATOM 925 CB LEU A 61 17.921 -13.851 -3.922 1.00 43.41 C ATOM 926 CG LEU A 61 17.175 -14.004 -5.248 1.00 32.13 C ATOM 927 CD1 LEU A 61 18.054 -14.696 -6.278 1.00 74.01 C ATOM 928 CD2 LEU A 61 15.879 -14.776 -5.044 1.00 64.21 C ATOM 0 H LEU A 61 18.684 -12.202 -2.069 1.00 54.43 H new ATOM 0 HA LEU A 61 20.017 -13.571 -4.310 1.00 52.13 H new ATOM 0 HB2 LEU A 61 18.203 -14.843 -3.570 1.00 43.41 H new ATOM 0 HB3 LEU A 61 17.232 -13.436 -3.186 1.00 43.41 H new ATOM 0 HG LEU A 61 16.928 -13.010 -5.621 1.00 32.13 H new ATOM 0 HD11 LEU A 61 17.506 -14.796 -7.215 1.00 74.01 H new ATOM 0 HD12 LEU A 61 18.954 -14.104 -6.445 1.00 74.01 H new ATOM 0 HD13 LEU A 61 18.333 -15.685 -5.913 1.00 74.01 H new ATOM 0 HD21 LEU A 61 15.361 -14.876 -5.998 1.00 64.21 H new ATOM 0 HD22 LEU A 61 16.104 -15.766 -4.648 1.00 64.21 H new ATOM 0 HD23 LEU A 61 15.243 -14.240 -4.340 1.00 64.21 H new ATOM 940 N GLY A 62 19.519 -11.936 -6.120 1.00 1.01 N ATOM 941 CA GLY A 62 19.383 -10.885 -7.112 1.00 22.42 C ATOM 942 C GLY A 62 18.584 -11.330 -8.321 1.00 0.51 C ATOM 943 O GLY A 62 17.859 -12.324 -8.281 1.00 52.34 O ATOM 0 H GLY A 62 20.055 -12.748 -6.427 1.00 1.01 H new ATOM 0 HA2 GLY A 62 18.898 -10.021 -6.658 1.00 22.42 H new ATOM 0 HA3 GLY A 62 20.373 -10.562 -7.433 1.00 22.42 H new ATOM 947 N PRO A 63 18.711 -10.581 -9.427 1.00 1.14 N ATOM 948 CA PRO A 63 18.001 -10.883 -10.673 1.00 63.11 C ATOM 949 C PRO A 63 18.430 -12.217 -11.276 1.00 1.43 C ATOM 950 O PRO A 63 19.477 -12.312 -11.914 1.00 25.31 O ATOM 951 CB PRO A 63 18.397 -9.728 -11.596 1.00 12.54 C ATOM 952 CG PRO A 63 19.663 -9.197 -11.017 1.00 13.23 C ATOM 953 CD PRO A 63 19.558 -9.382 -9.545 1.00 71.12 C ATOM 0 HA PRO A 63 16.926 -10.973 -10.518 1.00 63.11 H new ATOM 0 HB2 PRO A 63 18.544 -10.072 -12.620 1.00 12.54 H new ATOM 0 HB3 PRO A 63 17.623 -8.961 -11.625 1.00 12.54 H new ATOM 0 HG2 PRO A 63 20.526 -9.730 -11.415 1.00 13.23 H new ATOM 0 HG3 PRO A 63 19.794 -8.145 -11.268 1.00 13.23 H new ATOM 0 HD2 PRO A 63 20.535 -9.530 -9.085 1.00 71.12 H new ATOM 0 HD3 PRO A 63 19.105 -8.517 -9.060 1.00 71.12 H new ATOM 961 N GLY A 64 17.613 -13.245 -11.069 1.00 14.31 N ATOM 962 CA GLY A 64 17.925 -14.559 -11.599 1.00 30.12 C ATOM 963 C GLY A 64 17.204 -15.669 -10.859 1.00 51.35 C ATOM 964 O GLY A 64 16.796 -15.495 -9.712 1.00 3.34 O ATOM 0 H GLY A 64 16.740 -13.191 -10.544 1.00 14.31 H new ATOM 0 HA2 GLY A 64 17.655 -14.595 -12.654 1.00 30.12 H new ATOM 0 HA3 GLY A 64 19.001 -14.726 -11.539 1.00 30.12 H new ATOM 968 N GLU A 65 17.045 -16.812 -11.519 1.00 40.35 N ATOM 969 CA GLU A 65 16.366 -17.953 -10.917 1.00 55.42 C ATOM 970 C GLU A 65 17.293 -19.162 -10.845 1.00 22.15 C ATOM 971 O GLU A 65 18.014 -19.463 -11.796 1.00 62.21 O ATOM 972 CB GLU A 65 15.110 -18.307 -11.717 1.00 13.35 C ATOM 973 CG GLU A 65 14.461 -19.611 -11.285 1.00 11.04 C ATOM 974 CD GLU A 65 14.599 -20.704 -12.326 1.00 73.14 C ATOM 975 OE1 GLU A 65 15.616 -20.710 -13.050 1.00 42.12 O ATOM 976 OE2 GLU A 65 13.688 -21.554 -12.417 1.00 63.33 O ATOM 0 H GLU A 65 17.377 -16.972 -12.470 1.00 40.35 H new ATOM 0 HA GLU A 65 16.077 -17.677 -9.903 1.00 55.42 H new ATOM 0 HB2 GLU A 65 14.385 -17.499 -11.616 1.00 13.35 H new ATOM 0 HB3 GLU A 65 15.369 -18.372 -12.774 1.00 13.35 H new ATOM 0 HG2 GLU A 65 14.912 -19.945 -10.351 1.00 11.04 H new ATOM 0 HG3 GLU A 65 13.404 -19.437 -11.084 1.00 11.04 H new ATOM 983 N TYR A 66 17.269 -19.851 -9.709 1.00 4.20 N ATOM 984 CA TYR A 66 18.110 -21.026 -9.510 1.00 12.52 C ATOM 985 C TYR A 66 17.319 -22.158 -8.862 1.00 74.05 C ATOM 986 O TYR A 66 16.528 -21.933 -7.946 1.00 62.30 O ATOM 987 CB TYR A 66 19.319 -20.672 -8.642 1.00 71.30 C ATOM 988 CG TYR A 66 19.056 -20.795 -7.158 1.00 52.11 C ATOM 989 CD1 TYR A 66 18.138 -19.967 -6.524 1.00 51.44 C ATOM 990 CD2 TYR A 66 19.725 -21.740 -6.390 1.00 33.00 C ATOM 991 CE1 TYR A 66 17.895 -20.075 -5.169 1.00 1.32 C ATOM 992 CE2 TYR A 66 19.487 -21.856 -5.034 1.00 62.30 C ATOM 993 CZ TYR A 66 18.572 -21.021 -4.428 1.00 70.10 C ATOM 994 OH TYR A 66 18.332 -21.133 -3.078 1.00 11.13 O ATOM 0 H TYR A 66 16.677 -19.616 -8.912 1.00 4.20 H new ATOM 0 HA TYR A 66 18.458 -21.363 -10.487 1.00 12.52 H new ATOM 0 HB2 TYR A 66 20.151 -21.323 -8.910 1.00 71.30 H new ATOM 0 HB3 TYR A 66 19.629 -19.651 -8.864 1.00 71.30 H new ATOM 0 HD1 TYR A 66 17.605 -19.226 -7.101 1.00 51.44 H new ATOM 0 HD2 TYR A 66 20.443 -22.395 -6.861 1.00 33.00 H new ATOM 0 HE1 TYR A 66 17.179 -19.422 -4.692 1.00 1.32 H new ATOM 0 HE2 TYR A 66 20.015 -22.597 -4.452 1.00 62.30 H new ATOM 0 HH TYR A 66 18.889 -21.847 -2.705 1.00 11.13 H new ATOM 1004 N SER A 67 17.538 -23.376 -9.346 1.00 64.43 N ATOM 1005 CA SER A 67 16.844 -24.545 -8.818 1.00 65.22 C ATOM 1006 C SER A 67 17.823 -25.495 -8.135 1.00 63.41 C ATOM 1007 O SER A 67 18.173 -26.542 -8.681 1.00 12.02 O ATOM 1008 CB SER A 67 16.106 -25.276 -9.941 1.00 34.33 C ATOM 1009 OG SER A 67 15.581 -24.361 -10.887 1.00 13.25 O ATOM 0 H SER A 67 18.191 -23.579 -10.103 1.00 64.43 H new ATOM 0 HA SER A 67 16.120 -24.204 -8.078 1.00 65.22 H new ATOM 0 HB2 SER A 67 16.787 -25.967 -10.438 1.00 34.33 H new ATOM 0 HB3 SER A 67 15.297 -25.873 -9.520 1.00 34.33 H new ATOM 0 HG SER A 67 15.116 -24.853 -11.595 1.00 13.25 H new ATOM 1015 N SER A 68 18.262 -25.122 -6.937 1.00 60.31 N ATOM 1016 CA SER A 68 19.204 -25.938 -6.180 1.00 33.43 C ATOM 1017 C SER A 68 18.469 -26.992 -5.356 1.00 3.10 C ATOM 1018 O SER A 68 17.317 -26.801 -4.968 1.00 11.35 O ATOM 1019 CB SER A 68 20.052 -25.056 -5.261 1.00 73.42 C ATOM 1020 OG SER A 68 20.925 -25.839 -4.467 1.00 25.54 O ATOM 0 H SER A 68 17.980 -24.260 -6.470 1.00 60.31 H new ATOM 0 HA SER A 68 19.858 -26.446 -6.889 1.00 33.43 H new ATOM 0 HB2 SER A 68 20.632 -24.353 -5.860 1.00 73.42 H new ATOM 0 HB3 SER A 68 19.401 -24.465 -4.617 1.00 73.42 H new ATOM 0 HG SER A 68 21.215 -25.318 -3.689 1.00 25.54 H new ATOM 1026 N VAL A 69 19.146 -28.106 -5.093 1.00 54.30 N ATOM 1027 CA VAL A 69 18.559 -29.190 -4.315 1.00 24.43 C ATOM 1028 C VAL A 69 19.629 -29.948 -3.535 1.00 54.42 C ATOM 1029 O VAL A 69 19.442 -31.110 -3.177 1.00 4.23 O ATOM 1030 CB VAL A 69 17.799 -30.181 -5.216 1.00 50.24 C ATOM 1031 CG1 VAL A 69 16.759 -29.451 -6.053 1.00 63.33 C ATOM 1032 CG2 VAL A 69 18.769 -30.945 -6.104 1.00 62.33 C ATOM 0 H VAL A 69 20.101 -28.281 -5.407 1.00 54.30 H new ATOM 0 HA VAL A 69 17.857 -28.734 -3.617 1.00 24.43 H new ATOM 0 HB VAL A 69 17.281 -30.900 -4.581 1.00 50.24 H new ATOM 0 HG11 VAL A 69 16.232 -30.167 -6.684 1.00 63.33 H new ATOM 0 HG12 VAL A 69 16.047 -28.953 -5.395 1.00 63.33 H new ATOM 0 HG13 VAL A 69 17.253 -28.709 -6.681 1.00 63.33 H new ATOM 0 HG21 VAL A 69 18.215 -31.641 -6.734 1.00 62.33 H new ATOM 0 HG22 VAL A 69 19.316 -30.243 -6.733 1.00 62.33 H new ATOM 0 HG23 VAL A 69 19.472 -31.499 -5.482 1.00 62.33 H new ATOM 1042 N GLU A 70 20.749 -29.280 -3.276 1.00 14.11 N ATOM 1043 CA GLU A 70 21.848 -29.891 -2.539 1.00 21.05 C ATOM 1044 C GLU A 70 23.026 -28.928 -2.422 1.00 23.35 C ATOM 1045 O GLU A 70 23.925 -29.126 -1.604 1.00 34.24 O ATOM 1046 CB GLU A 70 22.297 -31.182 -3.226 1.00 31.43 C ATOM 1047 CG GLU A 70 22.565 -31.019 -4.712 1.00 65.23 C ATOM 1048 CD GLU A 70 21.808 -32.026 -5.556 1.00 24.41 C ATOM 1049 OE1 GLU A 70 21.529 -33.134 -5.051 1.00 2.32 O ATOM 1050 OE2 GLU A 70 21.495 -31.706 -6.722 1.00 30.52 O ATOM 0 H GLU A 70 20.919 -28.317 -3.565 1.00 14.11 H new ATOM 0 HA GLU A 70 21.492 -30.127 -1.536 1.00 21.05 H new ATOM 0 HB2 GLU A 70 23.202 -31.546 -2.740 1.00 31.43 H new ATOM 0 HB3 GLU A 70 21.531 -31.944 -3.085 1.00 31.43 H new ATOM 0 HG2 GLU A 70 22.286 -30.011 -5.019 1.00 65.23 H new ATOM 0 HG3 GLU A 70 23.634 -31.125 -4.898 1.00 65.23 H new ATOM 1057 N SER A 71 23.015 -27.886 -3.246 1.00 1.30 N ATOM 1058 CA SER A 71 24.084 -26.894 -3.239 1.00 21.01 C ATOM 1059 C SER A 71 23.991 -26.004 -2.003 1.00 64.11 C ATOM 1060 O SER A 71 25.005 -25.541 -1.481 1.00 32.13 O ATOM 1061 CB SER A 71 24.022 -26.037 -4.505 1.00 13.25 C ATOM 1062 OG SER A 71 25.312 -25.587 -4.880 1.00 10.43 O ATOM 0 H SER A 71 22.278 -27.706 -3.927 1.00 1.30 H new ATOM 0 HA SER A 71 25.037 -27.423 -3.214 1.00 21.01 H new ATOM 0 HB2 SER A 71 23.585 -26.616 -5.319 1.00 13.25 H new ATOM 0 HB3 SER A 71 23.369 -25.180 -4.336 1.00 13.25 H new ATOM 0 HG SER A 71 25.245 -25.043 -5.693 1.00 10.43 H new ATOM 1068 N ALA A 72 22.767 -25.769 -1.541 1.00 65.33 N ATOM 1069 CA ALA A 72 22.541 -24.937 -0.366 1.00 71.04 C ATOM 1070 C ALA A 72 22.943 -25.668 0.910 1.00 20.11 C ATOM 1071 O ALA A 72 23.884 -25.270 1.595 1.00 42.21 O ATOM 1072 CB ALA A 72 21.082 -24.510 -0.295 1.00 63.22 C ATOM 0 H ALA A 72 21.917 -26.143 -1.963 1.00 65.33 H new ATOM 0 HA ALA A 72 23.165 -24.048 -0.455 1.00 71.04 H new ATOM 0 HB1 ALA A 72 20.927 -23.889 0.587 1.00 63.22 H new ATOM 0 HB2 ALA A 72 20.826 -23.941 -1.189 1.00 63.22 H new ATOM 0 HB3 ALA A 72 20.447 -25.394 -0.233 1.00 63.22 H new ATOM 1078 N GLY A 73 22.222 -26.740 1.225 1.00 63.33 N ATOM 1079 CA GLY A 73 22.519 -27.509 2.419 1.00 22.22 C ATOM 1080 C GLY A 73 21.408 -28.476 2.777 1.00 21.23 C ATOM 1081 O GLY A 73 20.303 -28.060 3.126 1.00 72.21 O ATOM 0 H GLY A 73 21.438 -27.089 0.674 1.00 63.33 H new ATOM 0 HA2 GLY A 73 23.445 -28.064 2.269 1.00 22.22 H new ATOM 0 HA3 GLY A 73 22.687 -26.828 3.254 1.00 22.22 H new ATOM 1085 N ILE A 74 21.700 -29.769 2.690 1.00 64.42 N ATOM 1086 CA ILE A 74 20.717 -30.797 3.007 1.00 70.52 C ATOM 1087 C ILE A 74 21.295 -31.836 3.962 1.00 5.53 C ATOM 1088 O ILE A 74 21.491 -32.999 3.610 1.00 2.12 O ATOM 1089 CB ILE A 74 20.216 -31.509 1.736 1.00 44.32 C ATOM 1090 CG1 ILE A 74 20.064 -30.506 0.590 1.00 2.13 C ATOM 1091 CG2 ILE A 74 18.896 -32.214 2.009 1.00 42.24 C ATOM 1092 CD1 ILE A 74 19.064 -29.408 0.877 1.00 3.23 C ATOM 0 H ILE A 74 22.610 -30.130 2.403 1.00 64.42 H new ATOM 0 HA ILE A 74 19.878 -30.293 3.486 1.00 70.52 H new ATOM 0 HB ILE A 74 20.951 -32.258 1.443 1.00 44.32 H new ATOM 0 HG12 ILE A 74 21.035 -30.057 0.380 1.00 2.13 H new ATOM 0 HG13 ILE A 74 19.758 -31.039 -0.310 1.00 2.13 H new ATOM 0 HG21 ILE A 74 18.555 -32.712 1.101 1.00 42.24 H new ATOM 0 HG22 ILE A 74 19.035 -32.953 2.798 1.00 42.24 H new ATOM 0 HG23 ILE A 74 18.151 -31.483 2.323 1.00 42.24 H new ATOM 0 HD11 ILE A 74 19.008 -28.734 0.022 1.00 3.23 H new ATOM 0 HD12 ILE A 74 18.083 -29.847 1.058 1.00 3.23 H new ATOM 0 HD13 ILE A 74 19.379 -28.850 1.759 1.00 3.23 H new ATOM 1104 N PRO A 75 21.575 -31.408 5.202 1.00 13.45 N ATOM 1105 CA PRO A 75 22.133 -32.285 6.236 1.00 54.01 C ATOM 1106 C PRO A 75 21.062 -33.126 6.922 1.00 33.11 C ATOM 1107 O PRO A 75 20.949 -34.327 6.675 1.00 4.02 O ATOM 1108 CB PRO A 75 22.762 -31.306 7.230 1.00 23.21 C ATOM 1109 CG PRO A 75 22.083 -30.007 6.965 1.00 34.32 C ATOM 1110 CD PRO A 75 21.367 -30.034 5.692 1.00 71.25 C ATOM 0 HA PRO A 75 22.838 -33.006 5.822 1.00 54.01 H new ATOM 0 HB2 PRO A 75 22.606 -31.631 8.259 1.00 23.21 H new ATOM 0 HB3 PRO A 75 23.839 -31.227 7.080 1.00 23.21 H new ATOM 0 HG2 PRO A 75 21.385 -29.787 7.773 1.00 34.32 H new ATOM 0 HG3 PRO A 75 22.820 -29.204 6.953 1.00 34.32 H new ATOM 0 HD2 PRO A 75 20.308 -29.812 5.824 1.00 71.25 H new ATOM 0 HD3 PRO A 75 21.763 -29.296 4.994 1.00 71.25 H new ATOM 1118 N ASP A 76 20.277 -32.488 7.784 1.00 61.34 N ATOM 1119 CA ASP A 76 19.214 -33.178 8.505 1.00 74.04 C ATOM 1120 C ASP A 76 18.510 -32.231 9.472 1.00 52.04 C ATOM 1121 O ASP A 76 18.880 -32.134 10.641 1.00 63.04 O ATOM 1122 CB ASP A 76 19.780 -34.377 9.267 1.00 75.22 C ATOM 1123 CG ASP A 76 18.819 -34.903 10.315 1.00 55.01 C ATOM 1124 OD1 ASP A 76 17.635 -35.118 9.980 1.00 33.40 O ATOM 1125 OD2 ASP A 76 19.250 -35.100 11.470 1.00 45.23 O ATOM 0 H ASP A 76 20.357 -31.494 8.000 1.00 61.34 H new ATOM 0 HA ASP A 76 18.485 -33.532 7.776 1.00 74.04 H new ATOM 0 HB2 ASP A 76 20.015 -35.174 8.562 1.00 75.22 H new ATOM 0 HB3 ASP A 76 20.715 -34.090 9.747 1.00 75.22 H new ATOM 1130 N ASN A 77 17.493 -31.534 8.974 1.00 4.44 N ATOM 1131 CA ASN A 77 16.739 -30.593 9.794 1.00 13.41 C ATOM 1132 C ASN A 77 17.440 -29.239 9.854 1.00 25.24 C ATOM 1133 O ASN A 77 18.641 -29.162 10.116 1.00 71.02 O ATOM 1134 CB ASN A 77 16.556 -31.148 11.208 1.00 73.31 C ATOM 1135 CG ASN A 77 15.277 -30.659 11.860 1.00 21.13 C ATOM 1136 OD1 ASN A 77 14.799 -29.563 11.569 1.00 13.33 O ATOM 1137 ND2 ASN A 77 14.718 -31.473 12.748 1.00 15.43 N ATOM 0 H ASN A 77 17.173 -31.603 8.008 1.00 4.44 H new ATOM 0 HA ASN A 77 15.760 -30.455 9.336 1.00 13.41 H new ATOM 0 HB2 ASN A 77 16.548 -32.237 11.170 1.00 73.31 H new ATOM 0 HB3 ASN A 77 17.408 -30.857 11.823 1.00 73.31 H new ATOM 0 HD21 ASN A 77 13.857 -31.198 13.220 1.00 15.43 H new ATOM 0 HD22 ASN A 77 15.150 -32.373 12.958 1.00 15.43 H new ATOM 1144 N SER A 78 16.683 -28.175 9.611 1.00 12.54 N ATOM 1145 CA SER A 78 17.232 -26.824 9.635 1.00 42.01 C ATOM 1146 C SER A 78 16.150 -25.792 9.333 1.00 12.12 C ATOM 1147 O SER A 78 15.179 -26.081 8.633 1.00 31.43 O ATOM 1148 CB SER A 78 18.371 -26.696 8.622 1.00 62.35 C ATOM 1149 OG SER A 78 18.406 -25.398 8.054 1.00 30.23 O ATOM 0 H SER A 78 15.687 -28.222 9.395 1.00 12.54 H new ATOM 0 HA SER A 78 17.621 -26.634 10.635 1.00 42.01 H new ATOM 0 HB2 SER A 78 19.322 -26.908 9.111 1.00 62.35 H new ATOM 0 HB3 SER A 78 18.245 -27.438 7.833 1.00 62.35 H new ATOM 0 HG SER A 78 18.131 -25.445 7.114 1.00 30.23 H new ATOM 1155 N ILE A 79 16.325 -24.587 9.866 1.00 33.53 N ATOM 1156 CA ILE A 79 15.364 -23.512 9.654 1.00 43.22 C ATOM 1157 C ILE A 79 15.933 -22.442 8.727 1.00 32.34 C ATOM 1158 O ILE A 79 17.147 -22.260 8.645 1.00 44.13 O ATOM 1159 CB ILE A 79 14.951 -22.855 10.984 1.00 34.42 C ATOM 1160 CG1 ILE A 79 14.641 -23.927 12.032 1.00 51.41 C ATOM 1161 CG2 ILE A 79 13.748 -21.948 10.775 1.00 13.44 C ATOM 1162 CD1 ILE A 79 14.282 -23.360 13.388 1.00 41.13 C ATOM 0 H ILE A 79 17.123 -24.331 10.447 1.00 33.53 H new ATOM 0 HA ILE A 79 14.485 -23.961 9.192 1.00 43.22 H new ATOM 0 HB ILE A 79 15.781 -22.248 11.346 1.00 34.42 H new ATOM 0 HG12 ILE A 79 13.817 -24.545 11.675 1.00 51.41 H new ATOM 0 HG13 ILE A 79 15.507 -24.581 12.138 1.00 51.41 H new ATOM 0 HG21 ILE A 79 13.468 -21.491 11.724 1.00 13.44 H new ATOM 0 HG22 ILE A 79 14.001 -21.168 10.057 1.00 13.44 H new ATOM 0 HG23 ILE A 79 12.912 -22.535 10.394 1.00 13.44 H new ATOM 0 HD11 ILE A 79 14.075 -24.176 14.080 1.00 41.13 H new ATOM 0 HD12 ILE A 79 15.114 -22.766 13.766 1.00 41.13 H new ATOM 0 HD13 ILE A 79 13.398 -22.729 13.296 1.00 41.13 H new ATOM 1174 N SER A 80 15.046 -21.736 8.033 1.00 21.31 N ATOM 1175 CA SER A 80 15.459 -20.685 7.111 1.00 63.34 C ATOM 1176 C SER A 80 14.348 -19.656 6.927 1.00 63.02 C ATOM 1177 O SER A 80 13.177 -19.938 7.180 1.00 22.50 O ATOM 1178 CB SER A 80 15.842 -21.287 5.757 1.00 73.01 C ATOM 1179 OG SER A 80 14.725 -21.334 4.886 1.00 51.11 O ATOM 0 H SER A 80 14.037 -21.873 8.092 1.00 21.31 H new ATOM 0 HA SER A 80 16.328 -20.183 7.537 1.00 63.34 H new ATOM 0 HB2 SER A 80 16.636 -20.694 5.303 1.00 73.01 H new ATOM 0 HB3 SER A 80 16.237 -22.292 5.901 1.00 73.01 H new ATOM 0 HG SER A 80 14.996 -21.721 4.027 1.00 51.11 H new ATOM 1185 N SER A 81 14.725 -18.461 6.484 1.00 10.43 N ATOM 1186 CA SER A 81 13.762 -17.387 6.270 1.00 41.33 C ATOM 1187 C SER A 81 14.334 -16.322 5.339 1.00 63.14 C ATOM 1188 O SER A 81 15.551 -16.191 5.200 1.00 14.31 O ATOM 1189 CB SER A 81 13.367 -16.753 7.605 1.00 33.30 C ATOM 1190 OG SER A 81 11.970 -16.519 7.665 1.00 45.45 O ATOM 0 H SER A 81 15.690 -18.212 6.266 1.00 10.43 H new ATOM 0 HA SER A 81 12.875 -17.816 5.803 1.00 41.33 H new ATOM 0 HB2 SER A 81 13.665 -17.407 8.424 1.00 33.30 H new ATOM 0 HB3 SER A 81 13.902 -15.813 7.737 1.00 33.30 H new ATOM 0 HG SER A 81 11.743 -16.115 8.528 1.00 45.45 H new ATOM 1196 N PHE A 82 13.448 -15.564 4.702 1.00 50.12 N ATOM 1197 CA PHE A 82 13.863 -14.511 3.782 1.00 1.24 C ATOM 1198 C PHE A 82 12.837 -13.382 3.749 1.00 32.20 C ATOM 1199 O PHE A 82 11.632 -13.626 3.692 1.00 75.43 O ATOM 1200 CB PHE A 82 14.058 -15.080 2.376 1.00 73.24 C ATOM 1201 CG PHE A 82 12.768 -15.407 1.678 1.00 65.32 C ATOM 1202 CD1 PHE A 82 11.895 -16.342 2.210 1.00 62.31 C ATOM 1203 CD2 PHE A 82 12.430 -14.779 0.490 1.00 34.51 C ATOM 1204 CE1 PHE A 82 10.709 -16.646 1.569 1.00 12.43 C ATOM 1205 CE2 PHE A 82 11.244 -15.078 -0.155 1.00 21.41 C ATOM 1206 CZ PHE A 82 10.382 -16.012 0.386 1.00 22.01 C ATOM 0 H PHE A 82 12.438 -15.659 4.806 1.00 50.12 H new ATOM 0 HA PHE A 82 14.811 -14.106 4.137 1.00 1.24 H new ATOM 0 HB2 PHE A 82 14.615 -14.361 1.775 1.00 73.24 H new ATOM 0 HB3 PHE A 82 14.667 -15.982 2.439 1.00 73.24 H new ATOM 0 HD1 PHE A 82 12.144 -16.839 3.136 1.00 62.31 H new ATOM 0 HD2 PHE A 82 13.100 -14.048 0.063 1.00 34.51 H new ATOM 0 HE1 PHE A 82 10.038 -17.379 1.993 1.00 12.43 H new ATOM 0 HE2 PHE A 82 10.992 -14.582 -1.081 1.00 21.41 H new ATOM 0 HZ PHE A 82 9.454 -16.246 -0.115 1.00 22.01 H new ATOM 1216 N ARG A 83 13.324 -12.146 3.786 1.00 30.20 N ATOM 1217 CA ARG A 83 12.450 -10.980 3.762 1.00 41.51 C ATOM 1218 C ARG A 83 12.256 -10.475 2.335 1.00 1.10 C ATOM 1219 O ARG A 83 13.225 -10.220 1.620 1.00 11.34 O ATOM 1220 CB ARG A 83 13.029 -9.864 4.634 1.00 31.14 C ATOM 1221 CG ARG A 83 12.966 -10.161 6.124 1.00 65.43 C ATOM 1222 CD ARG A 83 11.881 -9.347 6.809 1.00 14.03 C ATOM 1223 NE ARG A 83 12.408 -8.121 7.402 1.00 21.15 N ATOM 1224 CZ ARG A 83 13.175 -8.100 8.487 1.00 61.32 C ATOM 1225 NH1 ARG A 83 13.503 -9.233 9.093 1.00 72.11 N ATOM 1226 NH2 ARG A 83 13.616 -6.945 8.967 1.00 44.43 N ATOM 0 H ARG A 83 14.319 -11.927 3.833 1.00 30.20 H new ATOM 0 HA ARG A 83 11.479 -11.277 4.160 1.00 41.51 H new ATOM 0 HB2 ARG A 83 14.067 -9.694 4.350 1.00 31.14 H new ATOM 0 HB3 ARG A 83 12.488 -8.939 4.433 1.00 31.14 H new ATOM 0 HG2 ARG A 83 12.776 -11.223 6.277 1.00 65.43 H new ATOM 0 HG3 ARG A 83 13.931 -9.941 6.581 1.00 65.43 H new ATOM 0 HD2 ARG A 83 11.106 -9.095 6.086 1.00 14.03 H new ATOM 0 HD3 ARG A 83 11.410 -9.951 7.584 1.00 14.03 H new ATOM 0 HE ARG A 83 12.175 -7.232 6.959 1.00 21.15 H new ATOM 0 HH11 ARG A 83 13.166 -10.123 8.726 1.00 72.11 H new ATOM 0 HH12 ARG A 83 14.092 -9.214 9.926 1.00 72.11 H new ATOM 0 HH21 ARG A 83 13.367 -6.071 8.503 1.00 44.43 H new ATOM 0 HH22 ARG A 83 14.205 -6.930 9.800 1.00 44.43 H new ATOM 1240 N GLN A 84 10.999 -10.335 1.928 1.00 15.43 N ATOM 1241 CA GLN A 84 10.678 -9.862 0.587 1.00 44.14 C ATOM 1242 C GLN A 84 10.524 -8.345 0.566 1.00 0.23 C ATOM 1243 O GLN A 84 9.826 -7.771 1.403 1.00 60.10 O ATOM 1244 CB GLN A 84 9.395 -10.524 0.083 1.00 53.23 C ATOM 1245 CG GLN A 84 9.276 -10.547 -1.433 1.00 3.43 C ATOM 1246 CD GLN A 84 8.298 -9.514 -1.957 1.00 43.23 C ATOM 1247 OE1 GLN A 84 8.633 -8.712 -2.830 1.00 32.11 O ATOM 1248 NE2 GLN A 84 7.081 -9.528 -1.427 1.00 0.21 N ATOM 0 H GLN A 84 10.186 -10.542 2.508 1.00 15.43 H new ATOM 0 HA GLN A 84 11.502 -10.134 -0.073 1.00 44.14 H new ATOM 0 HB2 GLN A 84 9.352 -11.547 0.458 1.00 53.23 H new ATOM 0 HB3 GLN A 84 8.537 -9.996 0.498 1.00 53.23 H new ATOM 0 HG2 GLN A 84 10.257 -10.369 -1.873 1.00 3.43 H new ATOM 0 HG3 GLN A 84 8.958 -11.539 -1.754 1.00 3.43 H new ATOM 0 HE21 GLN A 84 6.847 -10.210 -0.706 1.00 0.21 H new ATOM 0 HE22 GLN A 84 6.380 -8.857 -1.741 1.00 0.21 H new ATOM 1257 N ILE A 85 11.180 -7.701 -0.394 1.00 33.25 N ATOM 1258 CA ILE A 85 11.114 -6.251 -0.522 1.00 42.25 C ATOM 1259 C ILE A 85 10.999 -5.833 -1.985 1.00 34.54 C ATOM 1260 O ILE A 85 11.953 -5.954 -2.753 1.00 74.42 O ATOM 1261 CB ILE A 85 12.352 -5.574 0.096 1.00 34.25 C ATOM 1262 CG1 ILE A 85 13.613 -6.378 -0.225 1.00 5.41 C ATOM 1263 CG2 ILE A 85 12.179 -5.428 1.601 1.00 73.50 C ATOM 1264 CD1 ILE A 85 14.883 -5.556 -0.171 1.00 73.34 C ATOM 0 H ILE A 85 11.763 -8.161 -1.094 1.00 33.25 H new ATOM 0 HA ILE A 85 10.224 -5.927 0.018 1.00 42.25 H new ATOM 0 HB ILE A 85 12.458 -4.579 -0.336 1.00 34.25 H new ATOM 0 HG12 ILE A 85 13.695 -7.206 0.479 1.00 5.41 H new ATOM 0 HG13 ILE A 85 13.513 -6.814 -1.219 1.00 5.41 H new ATOM 0 HG21 ILE A 85 13.062 -4.948 2.024 1.00 73.50 H new ATOM 0 HG22 ILE A 85 11.300 -4.818 1.809 1.00 73.50 H new ATOM 0 HG23 ILE A 85 12.052 -6.413 2.050 1.00 73.50 H new ATOM 0 HD11 ILE A 85 15.737 -6.190 -0.409 1.00 73.34 H new ATOM 0 HD12 ILE A 85 14.821 -4.743 -0.895 1.00 73.34 H new ATOM 0 HD13 ILE A 85 15.006 -5.142 0.830 1.00 73.34 H new