USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 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 12 THR OG1 : rot -150:sc= 0.0218 USER MOD Single : A 13 GLN : amide:sc= -0.0637 K(o=-0.064,f=-2.1!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.91 K(o=1.9,f=-4.7!) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 29 TYR OH : rot -133:sc= 1.26 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.731 K(o=0.73,f=-0.0023) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -2:sc= -0.0584 USER MOD Single : A 42 MET CE :methyl -178:sc= 0 (180deg=-0.00518) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0.271) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.0241 (180deg=-1.08) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 21:sc= 1.3 USER MOD Single : A 61 GLN : amide:sc= 0.622 K(o=0.62,f=-4.9!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -86:sc= 0.894 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.065) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.672 -11.744 -2.260 1.00 0.00 N ATOM 50 CA GLU A 4 3.275 -12.458 -1.045 1.00 0.00 C ATOM 51 C GLU A 4 2.446 -11.533 -0.157 1.00 0.00 C ATOM 52 O GLU A 4 2.566 -10.315 -0.262 1.00 0.00 O ATOM 53 CB GLU A 4 4.534 -12.960 -0.334 1.00 0.00 C ATOM 54 CG GLU A 4 4.265 -13.924 0.827 1.00 0.00 C ATOM 55 CD GLU A 4 5.575 -14.496 1.357 1.00 0.00 C ATOM 56 OE1 GLU A 4 6.296 -13.728 2.030 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.841 -15.680 1.058 1.00 0.00 O ATOM 0 HA GLU A 4 2.654 -13.320 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.174 -13.458 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.090 -12.102 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.739 -13.403 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.616 -14.734 0.493 1.00 0.00 H new ATOM 64 N ILE A 5 1.606 -12.106 0.708 1.00 0.00 N ATOM 65 CA ILE A 5 0.761 -11.347 1.621 1.00 0.00 C ATOM 66 C ILE A 5 1.587 -11.009 2.860 1.00 0.00 C ATOM 67 O ILE A 5 2.395 -11.829 3.296 1.00 0.00 O ATOM 68 CB ILE A 5 -0.504 -12.141 1.995 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.302 -12.634 0.772 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.424 -11.352 2.940 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.996 -11.515 -0.013 1.00 0.00 C ATOM 0 H ILE A 5 1.495 -13.116 0.792 1.00 0.00 H new ATOM 0 HA ILE A 5 0.424 -10.429 1.139 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.137 -13.023 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.628 -13.169 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.054 -13.349 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.303 -11.951 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.887 -11.118 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.736 -10.427 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.536 -11.944 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.697 -10.994 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.249 -10.811 -0.380 1.00 0.00 H new ATOM 83 N ILE A 6 1.383 -9.819 3.427 1.00 0.00 N ATOM 84 CA ILE A 6 2.048 -9.382 4.645 1.00 0.00 C ATOM 85 C ILE A 6 1.088 -9.431 5.837 1.00 0.00 C ATOM 86 O ILE A 6 -0.130 -9.353 5.674 1.00 0.00 O ATOM 87 CB ILE A 6 2.668 -7.989 4.447 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.636 -6.903 4.096 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.766 -8.060 3.375 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.162 -5.504 4.416 1.00 0.00 C ATOM 0 H ILE A 6 0.741 -9.125 3.044 1.00 0.00 H new ATOM 0 HA ILE A 6 2.864 -10.069 4.870 1.00 0.00 H new ATOM 0 HB ILE A 6 3.099 -7.693 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.387 -6.965 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.715 -7.082 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.204 -7.071 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.540 -8.758 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.334 -8.401 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.407 -4.763 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.386 -5.434 5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.069 -5.316 3.841 1.00 0.00 H new ATOM 102 N ASP A 7 1.644 -9.568 7.042 1.00 0.00 N ATOM 103 CA ASP A 7 0.886 -9.633 8.281 1.00 0.00 C ATOM 104 C ASP A 7 0.270 -8.270 8.569 1.00 0.00 C ATOM 105 O ASP A 7 1.001 -7.305 8.778 1.00 0.00 O ATOM 106 CB ASP A 7 1.798 -10.018 9.451 1.00 0.00 C ATOM 107 CG ASP A 7 2.494 -11.355 9.235 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.518 -11.342 8.515 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.992 -12.359 9.784 1.00 0.00 O ATOM 0 H ASP A 7 2.652 -9.638 7.181 1.00 0.00 H new ATOM 0 HA ASP A 7 0.106 -10.387 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.549 -9.240 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.209 -10.063 10.367 1.00 0.00 H new ATOM 114 N ILE A 8 -1.058 -8.202 8.624 1.00 0.00 N ATOM 115 CA ILE A 8 -1.772 -7.017 9.043 1.00 0.00 C ATOM 116 C ILE A 8 -1.537 -6.815 10.542 1.00 0.00 C ATOM 117 O ILE A 8 -1.686 -7.747 11.330 1.00 0.00 O ATOM 118 CB ILE A 8 -3.268 -7.093 8.669 1.00 0.00 C ATOM 119 CG1 ILE A 8 -3.843 -8.480 8.315 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.533 -6.153 7.487 1.00 0.00 C ATOM 121 CD1 ILE A 8 -3.924 -9.421 9.520 1.00 0.00 C ATOM 0 H ILE A 8 -1.667 -8.981 8.375 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.391 -6.144 8.513 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.781 -6.806 9.587 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.839 -8.356 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.223 -8.938 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.587 -6.199 7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.275 -5.132 7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.925 -6.459 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.336 -10.380 9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.926 -9.572 9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.567 -8.982 10.282 1.00 0.00 H new ATOM 133 N GLY A 9 -1.131 -5.608 10.929 1.00 0.00 N ATOM 134 CA GLY A 9 -0.708 -5.280 12.277 1.00 0.00 C ATOM 135 C GLY A 9 -0.185 -3.844 12.253 1.00 0.00 C ATOM 136 O GLY A 9 -0.395 -3.160 11.246 1.00 0.00 O ATOM 0 H GLY A 9 -1.088 -4.813 10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.540 -5.374 12.974 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.069 -5.966 12.614 1.00 0.00 H new ATOM 140 N PRO A 10 0.507 -3.380 13.309 1.00 0.00 N ATOM 141 CA PRO A 10 0.942 -1.996 13.446 1.00 0.00 C ATOM 142 C PRO A 10 1.686 -1.482 12.212 1.00 0.00 C ATOM 143 O PRO A 10 1.447 -0.359 11.778 1.00 0.00 O ATOM 144 CB PRO A 10 1.784 -1.931 14.727 1.00 0.00 C ATOM 145 CG PRO A 10 2.115 -3.390 15.042 1.00 0.00 C ATOM 146 CD PRO A 10 0.924 -4.153 14.467 1.00 0.00 C ATOM 0 HA PRO A 10 0.083 -1.330 13.523 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.689 -1.342 14.578 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.231 -1.465 15.542 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.052 -3.699 14.579 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.219 -3.556 16.114 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.204 -5.168 14.184 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.119 -4.236 15.197 1.00 0.00 H new ATOM 154 N PHE A 11 2.565 -2.301 11.628 1.00 0.00 N ATOM 155 CA PHE A 11 3.270 -1.981 10.394 1.00 0.00 C ATOM 156 C PHE A 11 2.297 -1.592 9.270 1.00 0.00 C ATOM 157 O PHE A 11 2.342 -0.484 8.735 1.00 0.00 O ATOM 158 CB PHE A 11 4.140 -3.182 9.998 1.00 0.00 C ATOM 159 CG PHE A 11 4.819 -3.038 8.653 1.00 0.00 C ATOM 160 CD1 PHE A 11 5.890 -2.140 8.497 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.354 -3.773 7.546 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.507 -1.990 7.243 1.00 0.00 C ATOM 163 CE2 PHE A 11 4.967 -3.616 6.292 1.00 0.00 C ATOM 164 CZ PHE A 11 6.048 -2.730 6.141 1.00 0.00 C ATOM 0 H PHE A 11 2.807 -3.216 12.008 1.00 0.00 H new ATOM 0 HA PHE A 11 3.908 -1.113 10.559 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.902 -3.333 10.763 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.519 -4.078 9.985 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.239 -1.565 9.342 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.526 -4.457 7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.334 -1.306 7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.607 -4.177 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.525 -2.618 5.179 1.00 0.00 H new ATOM 174 N THR A 12 1.407 -2.512 8.898 1.00 0.00 N ATOM 175 CA THR A 12 0.478 -2.303 7.801 1.00 0.00 C ATOM 176 C THR A 12 -0.456 -1.147 8.121 1.00 0.00 C ATOM 177 O THR A 12 -0.715 -0.299 7.268 1.00 0.00 O ATOM 178 CB THR A 12 -0.312 -3.585 7.560 1.00 0.00 C ATOM 179 OG1 THR A 12 0.541 -4.686 7.760 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.908 -3.620 6.154 1.00 0.00 C ATOM 0 H THR A 12 1.314 -3.421 9.352 1.00 0.00 H new ATOM 0 HA THR A 12 1.031 -2.052 6.896 1.00 0.00 H new ATOM 0 HB THR A 12 -1.144 -3.625 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.255 -5.430 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.464 -4.548 6.017 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.580 -2.772 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.106 -3.566 5.418 1.00 0.00 H new ATOM 188 N GLN A 13 -0.952 -1.120 9.363 1.00 0.00 N ATOM 189 CA GLN A 13 -1.765 -0.039 9.862 1.00 0.00 C ATOM 190 C GLN A 13 -1.055 1.280 9.590 1.00 0.00 C ATOM 191 O GLN A 13 -1.643 2.142 8.955 1.00 0.00 O ATOM 192 CB GLN A 13 -2.041 -0.247 11.352 1.00 0.00 C ATOM 193 CG GLN A 13 -3.059 -1.368 11.586 1.00 0.00 C ATOM 194 CD GLN A 13 -3.152 -1.733 13.062 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.763 -2.824 13.465 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.673 -0.828 13.886 1.00 0.00 N ATOM 0 H GLN A 13 -0.791 -1.861 10.045 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.728 -0.017 9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.110 -0.487 11.865 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.414 0.680 11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.038 -1.054 11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.773 -2.248 11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.988 0.071 13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.757 -1.033 14.882 1.00 0.00 H new ATOM 205 N ASN A 14 0.204 1.417 10.017 1.00 0.00 N ATOM 206 CA ASN A 14 0.995 2.626 9.814 1.00 0.00 C ATOM 207 C ASN A 14 1.019 3.034 8.342 1.00 0.00 C ATOM 208 O ASN A 14 0.753 4.189 8.021 1.00 0.00 O ATOM 209 CB ASN A 14 2.421 2.433 10.341 1.00 0.00 C ATOM 210 CG ASN A 14 3.259 3.690 10.147 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.871 3.879 9.101 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.305 4.559 11.154 1.00 0.00 N ATOM 0 H ASN A 14 0.704 0.682 10.518 1.00 0.00 H new ATOM 0 HA ASN A 14 0.522 3.431 10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.388 2.176 11.400 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.892 1.597 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.860 5.410 11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.785 4.374 12.012 1.00 0.00 H new ATOM 219 N LEU A 15 1.325 2.099 7.440 1.00 0.00 N ATOM 220 CA LEU A 15 1.384 2.429 6.017 1.00 0.00 C ATOM 221 C LEU A 15 0.015 2.857 5.479 1.00 0.00 C ATOM 222 O LEU A 15 -0.085 3.855 4.767 1.00 0.00 O ATOM 223 CB LEU A 15 1.980 1.279 5.196 1.00 0.00 C ATOM 224 CG LEU A 15 3.473 1.033 5.476 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.968 -0.071 4.534 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.336 2.284 5.252 1.00 0.00 C ATOM 0 H LEU A 15 1.532 1.126 7.664 1.00 0.00 H new ATOM 0 HA LEU A 15 2.053 3.283 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.424 0.366 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.848 1.494 4.136 1.00 0.00 H new ATOM 0 HG LEU A 15 3.568 0.750 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.026 -0.259 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.400 -0.984 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.830 0.244 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.379 2.049 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.242 2.610 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.001 3.081 5.916 1.00 0.00 H new ATOM 238 N GLY A 16 -1.048 2.129 5.823 1.00 0.00 N ATOM 239 CA GLY A 16 -2.400 2.512 5.435 1.00 0.00 C ATOM 240 C GLY A 16 -2.743 3.903 5.971 1.00 0.00 C ATOM 241 O GLY A 16 -3.303 4.746 5.271 1.00 0.00 O ATOM 0 H GLY A 16 -0.995 1.270 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.488 2.504 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.114 1.783 5.818 1.00 0.00 H new ATOM 245 N LYS A 17 -2.379 4.145 7.227 1.00 0.00 N ATOM 246 CA LYS A 17 -2.581 5.412 7.900 1.00 0.00 C ATOM 247 C LYS A 17 -1.897 6.510 7.098 1.00 0.00 C ATOM 248 O LYS A 17 -2.521 7.500 6.743 1.00 0.00 O ATOM 249 CB LYS A 17 -2.032 5.363 9.341 1.00 0.00 C ATOM 250 CG LYS A 17 -2.860 6.178 10.338 1.00 0.00 C ATOM 251 CD LYS A 17 -3.113 7.587 9.805 1.00 0.00 C ATOM 252 CE LYS A 17 -3.737 8.480 10.881 1.00 0.00 C ATOM 253 NZ LYS A 17 -4.061 9.813 10.347 1.00 0.00 N ATOM 0 H LYS A 17 -1.925 3.445 7.814 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.649 5.621 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.997 4.325 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.007 5.734 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.811 5.678 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.337 6.233 11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.174 8.024 9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.774 7.539 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.642 8.010 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.047 8.579 11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.482 10.395 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.193 10.269 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.738 9.718 9.563 1.00 0.00 H new ATOM 267 N PHE A 18 -0.613 6.316 6.810 1.00 0.00 N ATOM 268 CA PHE A 18 0.201 7.207 6.000 1.00 0.00 C ATOM 269 C PHE A 18 -0.461 7.469 4.648 1.00 0.00 C ATOM 270 O PHE A 18 -0.552 8.617 4.220 1.00 0.00 O ATOM 271 CB PHE A 18 1.610 6.617 5.861 1.00 0.00 C ATOM 272 CG PHE A 18 2.514 7.292 4.847 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.744 8.679 4.905 1.00 0.00 C ATOM 274 CD2 PHE A 18 3.169 6.517 3.871 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.637 9.284 4.004 1.00 0.00 C ATOM 276 CE2 PHE A 18 4.075 7.119 2.983 1.00 0.00 C ATOM 277 CZ PHE A 18 4.320 8.501 3.056 1.00 0.00 C ATOM 0 H PHE A 18 -0.096 5.504 7.148 1.00 0.00 H new ATOM 0 HA PHE A 18 0.289 8.176 6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.097 6.656 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.517 5.565 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.233 9.280 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.974 5.457 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.799 10.351 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.584 6.519 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.031 8.961 2.386 1.00 0.00 H new ATOM 287 N ALA A 19 -0.966 6.420 3.997 1.00 0.00 N ATOM 288 CA ALA A 19 -1.682 6.560 2.737 1.00 0.00 C ATOM 289 C ALA A 19 -2.869 7.510 2.896 1.00 0.00 C ATOM 290 O ALA A 19 -3.014 8.473 2.142 1.00 0.00 O ATOM 291 CB ALA A 19 -2.121 5.188 2.216 1.00 0.00 C ATOM 0 H ALA A 19 -0.889 5.458 4.328 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.010 6.995 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.655 5.310 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.243 4.561 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.778 4.715 2.946 1.00 0.00 H new ATOM 297 N VAL A 20 -3.707 7.249 3.900 1.00 0.00 N ATOM 298 CA VAL A 20 -4.859 8.098 4.185 1.00 0.00 C ATOM 299 C VAL A 20 -4.404 9.511 4.553 1.00 0.00 C ATOM 300 O VAL A 20 -5.033 10.477 4.145 1.00 0.00 O ATOM 301 CB VAL A 20 -5.747 7.472 5.272 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.871 8.428 5.704 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.393 6.191 4.732 1.00 0.00 C ATOM 0 H VAL A 20 -3.607 6.453 4.530 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.468 8.176 3.285 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.112 7.258 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.478 7.951 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.436 9.345 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.497 8.666 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.023 5.748 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.002 6.430 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.615 5.483 4.448 1.00 0.00 H new ATOM 313 N ASP A 21 -3.322 9.649 5.315 1.00 0.00 N ATOM 314 CA ASP A 21 -2.789 10.930 5.742 1.00 0.00 C ATOM 315 C ASP A 21 -2.364 11.755 4.529 1.00 0.00 C ATOM 316 O ASP A 21 -2.724 12.921 4.421 1.00 0.00 O ATOM 317 CB ASP A 21 -1.633 10.714 6.724 1.00 0.00 C ATOM 318 CG ASP A 21 -1.004 12.044 7.130 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.598 12.704 8.008 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.054 12.375 6.551 1.00 0.00 O ATOM 0 H ASP A 21 -2.783 8.853 5.658 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.564 11.493 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.997 10.194 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.878 10.075 6.267 1.00 0.00 H new ATOM 325 N GLU A 22 -1.624 11.140 3.607 1.00 0.00 N ATOM 326 CA GLU A 22 -1.207 11.753 2.356 1.00 0.00 C ATOM 327 C GLU A 22 -2.449 12.180 1.569 1.00 0.00 C ATOM 328 O GLU A 22 -2.585 13.340 1.180 1.00 0.00 O ATOM 329 CB GLU A 22 -0.339 10.754 1.566 1.00 0.00 C ATOM 330 CG GLU A 22 0.220 11.348 0.265 1.00 0.00 C ATOM 331 CD GLU A 22 1.176 12.508 0.531 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.329 12.212 0.913 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.734 13.664 0.359 1.00 0.00 O ATOM 0 H GLU A 22 -1.293 10.181 3.716 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.605 12.643 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.489 10.424 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.933 9.871 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.740 10.570 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.604 11.693 -0.360 1.00 0.00 H new ATOM 340 N GLU A 23 -3.367 11.235 1.346 1.00 0.00 N ATOM 341 CA GLU A 23 -4.594 11.483 0.612 1.00 0.00 C ATOM 342 C GLU A 23 -5.348 12.665 1.230 1.00 0.00 C ATOM 343 O GLU A 23 -5.754 13.579 0.520 1.00 0.00 O ATOM 344 CB GLU A 23 -5.416 10.187 0.586 1.00 0.00 C ATOM 345 CG GLU A 23 -6.562 10.235 -0.428 1.00 0.00 C ATOM 346 CD GLU A 23 -7.705 11.130 0.029 1.00 0.00 C ATOM 347 OE1 GLU A 23 -8.280 10.808 1.087 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.973 12.123 -0.679 1.00 0.00 O ATOM 0 H GLU A 23 -3.272 10.274 1.675 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.383 11.765 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.760 9.350 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.823 10.000 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.182 10.595 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.939 9.226 -0.594 1.00 0.00 H new ATOM 355 N ASN A 24 -5.508 12.655 2.553 1.00 0.00 N ATOM 356 CA ASN A 24 -6.167 13.688 3.325 1.00 0.00 C ATOM 357 C ASN A 24 -5.437 15.017 3.160 1.00 0.00 C ATOM 358 O ASN A 24 -6.075 16.052 2.998 1.00 0.00 O ATOM 359 CB ASN A 24 -6.173 13.288 4.804 1.00 0.00 C ATOM 360 CG ASN A 24 -7.258 12.292 5.207 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.017 11.780 4.391 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.376 12.040 6.508 1.00 0.00 N ATOM 0 H ASN A 24 -5.164 11.890 3.134 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.191 13.801 2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.201 12.861 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.288 14.189 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.107 11.412 6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.735 12.475 7.172 1.00 0.00 H new ATOM 369 N LYS A 25 -4.102 14.996 3.228 1.00 0.00 N ATOM 370 CA LYS A 25 -3.289 16.195 3.087 1.00 0.00 C ATOM 371 C LYS A 25 -3.515 16.825 1.711 1.00 0.00 C ATOM 372 O LYS A 25 -3.636 18.044 1.606 1.00 0.00 O ATOM 373 CB LYS A 25 -1.815 15.854 3.353 1.00 0.00 C ATOM 374 CG LYS A 25 -0.923 17.102 3.362 1.00 0.00 C ATOM 375 CD LYS A 25 0.493 16.717 3.811 1.00 0.00 C ATOM 376 CE LYS A 25 1.471 17.892 3.698 1.00 0.00 C ATOM 377 NZ LYS A 25 1.056 19.040 4.525 1.00 0.00 N ATOM 0 H LYS A 25 -3.561 14.145 3.382 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.586 16.939 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.730 15.342 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.461 15.162 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.892 17.547 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.337 17.853 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.464 16.368 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.853 15.886 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.465 17.566 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.544 18.204 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.802 19.764 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.176 19.443 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.897 18.724 5.503 1.00 0.00 H new ATOM 391 N ILE A 26 -3.585 16.002 0.662 1.00 0.00 N ATOM 392 CA ILE A 26 -3.958 16.468 -0.670 1.00 0.00 C ATOM 393 C ILE A 26 -5.414 16.957 -0.655 1.00 0.00 C ATOM 394 O ILE A 26 -5.731 17.990 -1.242 1.00 0.00 O ATOM 395 CB ILE A 26 -3.711 15.354 -1.709 1.00 0.00 C ATOM 396 CG1 ILE A 26 -2.208 15.013 -1.768 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.204 15.789 -3.099 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.925 13.711 -2.524 1.00 0.00 C ATOM 0 H ILE A 26 -3.386 15.003 0.714 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.335 17.314 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.269 14.468 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.673 15.831 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.818 14.931 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.021 14.989 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.272 16.000 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.669 16.686 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.852 13.522 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.435 12.885 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.287 13.799 -3.548 1.00 0.00 H new ATOM 410 N GLY A 27 -6.304 16.206 -0.005 1.00 0.00 N ATOM 411 CA GLY A 27 -7.718 16.516 0.127 1.00 0.00 C ATOM 412 C GLY A 27 -8.525 15.993 -1.059 1.00 0.00 C ATOM 413 O GLY A 27 -9.658 16.421 -1.271 1.00 0.00 O ATOM 0 H GLY A 27 -6.045 15.335 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.102 16.079 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.848 17.595 0.208 1.00 0.00 H new ATOM 417 N GLN A 28 -7.962 15.053 -1.829 1.00 0.00 N ATOM 418 CA GLN A 28 -8.553 14.589 -3.081 1.00 0.00 C ATOM 419 C GLN A 28 -9.965 14.033 -2.859 1.00 0.00 C ATOM 420 O GLN A 28 -10.858 14.261 -3.672 1.00 0.00 O ATOM 421 CB GLN A 28 -7.619 13.564 -3.738 1.00 0.00 C ATOM 422 CG GLN A 28 -8.043 13.252 -5.180 1.00 0.00 C ATOM 423 CD GLN A 28 -7.078 12.294 -5.873 1.00 0.00 C ATOM 424 OE1 GLN A 28 -6.144 11.778 -5.266 1.00 0.00 O ATOM 425 NE2 GLN A 28 -7.294 12.045 -7.162 1.00 0.00 N ATOM 0 H GLN A 28 -7.081 14.594 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.663 15.434 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.598 13.946 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.618 12.645 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.043 12.818 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.101 14.180 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.078 12.487 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.676 11.412 -7.670 1.00 0.00 H new ATOM 434 N TYR A 29 -10.163 13.327 -1.744 1.00 0.00 N ATOM 435 CA TYR A 29 -11.466 12.880 -1.261 1.00 0.00 C ATOM 436 C TYR A 29 -11.739 13.498 0.114 1.00 0.00 C ATOM 437 O TYR A 29 -12.262 12.853 1.021 1.00 0.00 O ATOM 438 CB TYR A 29 -11.515 11.345 -1.229 1.00 0.00 C ATOM 439 CG TYR A 29 -11.892 10.670 -2.533 1.00 0.00 C ATOM 440 CD1 TYR A 29 -13.219 10.781 -2.989 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.014 9.759 -3.153 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.673 9.976 -4.046 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.477 8.940 -4.201 1.00 0.00 C ATOM 444 CZ TYR A 29 -12.813 9.033 -4.629 1.00 0.00 C ATOM 445 OH TYR A 29 -13.310 8.174 -5.562 1.00 0.00 O ATOM 0 H TYR A 29 -9.395 13.043 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.252 13.214 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.537 10.975 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.228 11.039 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.890 11.488 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.987 9.689 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.684 10.083 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.805 8.240 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.007 7.264 -5.363 1.00 0.00 H new ATOM 455 N GLY A 30 -11.404 14.776 0.272 1.00 0.00 N ATOM 456 CA GLY A 30 -11.551 15.466 1.543 1.00 0.00 C ATOM 457 C GLY A 30 -10.685 14.802 2.614 1.00 0.00 C ATOM 458 O GLY A 30 -9.564 14.386 2.328 1.00 0.00 O ATOM 0 H GLY A 30 -11.025 15.357 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.264 16.512 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.596 15.453 1.852 1.00 0.00 H new ATOM 462 N ARG A 31 -11.201 14.722 3.845 1.00 0.00 N ATOM 463 CA ARG A 31 -10.492 14.205 5.007 1.00 0.00 C ATOM 464 C ARG A 31 -11.233 12.978 5.544 1.00 0.00 C ATOM 465 O ARG A 31 -12.287 13.129 6.160 1.00 0.00 O ATOM 466 CB ARG A 31 -10.413 15.312 6.066 1.00 0.00 C ATOM 467 CG ARG A 31 -9.487 14.925 7.228 1.00 0.00 C ATOM 468 CD ARG A 31 -9.648 15.903 8.395 1.00 0.00 C ATOM 469 NE ARG A 31 -10.955 15.732 9.044 1.00 0.00 N ATOM 470 CZ ARG A 31 -11.381 16.431 10.105 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.618 17.398 10.627 1.00 0.00 N ATOM 472 NH2 ARG A 31 -12.573 16.151 10.642 1.00 0.00 N ATOM 0 H ARG A 31 -12.151 15.025 4.060 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.480 13.902 4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.052 16.231 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.412 15.519 6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.716 13.913 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.451 14.922 6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.852 15.742 9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.548 16.927 8.034 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.585 15.029 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.707 17.606 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.947 17.927 11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.150 15.410 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.905 16.678 11.450 1.00 0.00 H new ATOM 486 N LEU A 32 -10.697 11.772 5.328 1.00 0.00 N ATOM 487 CA LEU A 32 -11.293 10.542 5.832 1.00 0.00 C ATOM 488 C LEU A 32 -10.656 10.133 7.160 1.00 0.00 C ATOM 489 O LEU A 32 -9.489 10.427 7.419 1.00 0.00 O ATOM 490 CB LEU A 32 -11.164 9.408 4.814 1.00 0.00 C ATOM 491 CG LEU A 32 -11.871 9.744 3.493 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.855 10.182 2.438 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.618 8.509 2.991 1.00 0.00 C ATOM 0 H LEU A 32 -9.838 11.627 4.798 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.353 10.734 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.109 9.210 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.588 8.495 5.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.572 10.560 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.374 10.416 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.324 11.066 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.142 9.376 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.121 8.744 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.910 7.696 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.357 8.204 3.732 1.00 0.00 H new ATOM 505 N THR A 33 -11.420 9.430 7.997 1.00 0.00 N ATOM 506 CA THR A 33 -10.970 8.941 9.288 1.00 0.00 C ATOM 507 C THR A 33 -10.449 7.520 9.099 1.00 0.00 C ATOM 508 O THR A 33 -11.241 6.577 9.086 1.00 0.00 O ATOM 509 CB THR A 33 -12.142 9.000 10.279 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.640 10.321 10.325 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.716 8.605 11.696 1.00 0.00 C ATOM 0 H THR A 33 -12.387 9.183 7.786 1.00 0.00 H new ATOM 0 HA THR A 33 -10.165 9.554 9.693 1.00 0.00 H new ATOM 0 HB THR A 33 -12.900 8.297 9.935 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.390 10.366 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.576 8.661 12.363 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.328 7.586 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.940 9.286 12.046 1.00 0.00 H new ATOM 519 N PHE A 34 -9.132 7.356 8.930 1.00 0.00 N ATOM 520 CA PHE A 34 -8.507 6.036 8.870 1.00 0.00 C ATOM 521 C PHE A 34 -9.048 5.138 9.980 1.00 0.00 C ATOM 522 O PHE A 34 -9.104 5.545 11.138 1.00 0.00 O ATOM 523 CB PHE A 34 -6.985 6.131 8.975 1.00 0.00 C ATOM 524 CG PHE A 34 -6.290 4.801 9.211 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.098 4.333 10.525 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.893 4.003 8.123 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.451 3.106 10.749 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.238 2.782 8.350 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.997 2.344 9.660 1.00 0.00 C ATOM 0 H PHE A 34 -8.476 8.131 8.832 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.754 5.600 7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.596 6.573 8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.730 6.810 9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.449 4.918 11.362 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.092 4.329 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.303 2.749 11.758 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.919 2.178 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.463 1.421 9.832 1.00 0.00 H new ATOM 539 N ASN A 35 -9.451 3.927 9.604 1.00 0.00 N ATOM 540 CA ASN A 35 -9.928 2.907 10.526 1.00 0.00 C ATOM 541 C ASN A 35 -8.850 1.831 10.686 1.00 0.00 C ATOM 542 O ASN A 35 -8.309 1.663 11.778 1.00 0.00 O ATOM 543 CB ASN A 35 -11.264 2.328 10.034 1.00 0.00 C ATOM 544 CG ASN A 35 -12.483 3.107 10.522 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.402 2.523 11.085 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.530 4.421 10.304 1.00 0.00 N ATOM 0 H ASN A 35 -9.454 3.624 8.630 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.116 3.344 11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.265 2.313 8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.347 1.293 10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.341 4.960 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.755 4.888 9.834 1.00 0.00 H new ATOM 553 N LYS A 36 -8.553 1.078 9.620 1.00 0.00 N ATOM 554 CA LYS A 36 -7.623 -0.049 9.668 1.00 0.00 C ATOM 555 C LYS A 36 -7.257 -0.432 8.229 1.00 0.00 C ATOM 556 O LYS A 36 -7.678 0.248 7.295 1.00 0.00 O ATOM 557 CB LYS A 36 -8.248 -1.214 10.466 1.00 0.00 C ATOM 558 CG LYS A 36 -7.226 -2.277 10.909 1.00 0.00 C ATOM 559 CD LYS A 36 -7.508 -2.772 12.330 1.00 0.00 C ATOM 560 CE LYS A 36 -6.483 -3.840 12.730 1.00 0.00 C ATOM 561 NZ LYS A 36 -6.628 -4.225 14.146 1.00 0.00 N ATOM 0 H LYS A 36 -8.955 1.237 8.696 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.704 0.218 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.747 -0.812 11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.014 -1.691 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.253 -3.119 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.221 -1.858 10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.466 -1.937 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.515 -3.185 12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.607 -4.720 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.476 -3.462 12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.920 -4.949 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.485 -3.390 14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.582 -4.608 14.306 1.00 0.00 H new ATOM 575 N VAL A 37 -6.491 -1.512 8.040 1.00 0.00 N ATOM 576 CA VAL A 37 -6.206 -2.118 6.748 1.00 0.00 C ATOM 577 C VAL A 37 -6.620 -3.580 6.853 1.00 0.00 C ATOM 578 O VAL A 37 -6.449 -4.171 7.921 1.00 0.00 O ATOM 579 CB VAL A 37 -4.712 -1.993 6.406 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.448 -2.435 4.962 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.210 -0.554 6.551 1.00 0.00 C ATOM 0 H VAL A 37 -6.040 -2.000 8.814 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.753 -1.616 5.950 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.181 -2.635 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.385 -2.339 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.752 -3.475 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.019 -1.806 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.150 -0.511 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.769 0.096 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.353 -0.221 7.579 1.00 0.00 H new ATOM 591 N ILE A 38 -7.174 -4.154 5.781 1.00 0.00 N ATOM 592 CA ILE A 38 -7.574 -5.554 5.746 1.00 0.00 C ATOM 593 C ILE A 38 -7.126 -6.195 4.431 1.00 0.00 C ATOM 594 O ILE A 38 -6.686 -5.507 3.511 1.00 0.00 O ATOM 595 CB ILE A 38 -9.082 -5.716 6.049 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.032 -4.885 5.165 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.360 -5.352 7.515 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.161 -5.419 3.739 1.00 0.00 C ATOM 0 H ILE A 38 -7.356 -3.653 4.911 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.067 -6.099 6.542 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.293 -6.763 5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.019 -4.863 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.674 -3.856 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.424 -5.468 7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.788 -6.011 8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.065 -4.318 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.845 -4.786 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.182 -5.415 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.548 -6.438 3.766 1.00 0.00 H new ATOM 610 N ARG A 39 -7.186 -7.528 4.373 1.00 0.00 N ATOM 611 CA ARG A 39 -6.714 -8.292 3.225 1.00 0.00 C ATOM 612 C ARG A 39 -7.480 -7.935 1.937 1.00 0.00 C ATOM 613 O ARG A 39 -8.657 -7.588 2.007 1.00 0.00 O ATOM 614 CB ARG A 39 -6.792 -9.797 3.531 1.00 0.00 C ATOM 615 CG ARG A 39 -8.180 -10.272 4.001 1.00 0.00 C ATOM 616 CD ARG A 39 -8.248 -10.573 5.509 1.00 0.00 C ATOM 617 NE ARG A 39 -8.667 -11.959 5.770 1.00 0.00 N ATOM 618 CZ ARG A 39 -7.930 -13.053 5.522 1.00 0.00 C ATOM 619 NH1 ARG A 39 -6.708 -12.940 4.992 1.00 0.00 N ATOM 620 NH2 ARG A 39 -8.427 -14.262 5.801 1.00 0.00 N ATOM 0 H ARG A 39 -7.565 -8.105 5.124 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.672 -8.026 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.513 -10.354 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.058 -10.039 4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.918 -9.508 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.455 -11.169 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.271 -10.397 5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.947 -9.886 5.986 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.594 -12.100 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.330 -12.018 4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.153 -13.776 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.362 -14.350 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.872 -15.097 5.615 1.00 0.00 H new ATOM 634 N PRO A 40 -6.864 -8.076 0.750 1.00 0.00 N ATOM 635 CA PRO A 40 -5.486 -8.484 0.536 1.00 0.00 C ATOM 636 C PRO A 40 -4.517 -7.353 0.886 1.00 0.00 C ATOM 637 O PRO A 40 -4.861 -6.172 0.830 1.00 0.00 O ATOM 638 CB PRO A 40 -5.404 -8.869 -0.944 1.00 0.00 C ATOM 639 CG PRO A 40 -6.461 -7.975 -1.592 1.00 0.00 C ATOM 640 CD PRO A 40 -7.546 -7.889 -0.519 1.00 0.00 C ATOM 0 HA PRO A 40 -5.202 -9.319 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.412 -8.683 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.620 -9.926 -1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.061 -6.992 -1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.842 -8.407 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.053 -6.925 -0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.307 -8.654 -0.670 1.00 0.00 H new ATOM 648 N CYS A 41 -3.303 -7.734 1.289 1.00 0.00 N ATOM 649 CA CYS A 41 -2.214 -6.839 1.634 1.00 0.00 C ATOM 650 C CYS A 41 -0.968 -7.473 1.035 1.00 0.00 C ATOM 651 O CYS A 41 -0.270 -8.210 1.728 1.00 0.00 O ATOM 652 CB CYS A 41 -2.091 -6.709 3.158 1.00 0.00 C ATOM 653 SG CYS A 41 -3.559 -5.935 3.872 1.00 0.00 S ATOM 0 H CYS A 41 -3.049 -8.717 1.385 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.372 -5.831 1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.947 -7.695 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.209 -6.118 3.405 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.390 -5.622 2.922 1.00 0.00 H new ATOM 659 N MET A 42 -0.749 -7.267 -0.267 1.00 0.00 N ATOM 660 CA MET A 42 0.244 -8.006 -1.031 1.00 0.00 C ATOM 661 C MET A 42 1.461 -7.130 -1.324 1.00 0.00 C ATOM 662 O MET A 42 1.300 -5.959 -1.653 1.00 0.00 O ATOM 663 CB MET A 42 -0.402 -8.556 -2.308 1.00 0.00 C ATOM 664 CG MET A 42 0.388 -9.764 -2.826 1.00 0.00 C ATOM 665 SD MET A 42 -0.135 -10.435 -4.425 1.00 0.00 S ATOM 666 CE MET A 42 -1.782 -11.056 -4.031 1.00 0.00 C ATOM 0 H MET A 42 -1.261 -6.578 -0.818 1.00 0.00 H new ATOM 0 HA MET A 42 0.604 -8.852 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.433 -8.847 -2.106 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.434 -7.779 -3.072 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.438 -9.481 -2.900 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.324 -10.559 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.213 -11.530 -4.913 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.712 -11.786 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.418 -10.228 -3.717 1.00 0.00 H new ATOM 676 N LYS A 43 2.666 -7.694 -1.208 1.00 0.00 N ATOM 677 CA LYS A 43 3.942 -7.023 -1.408 1.00 0.00 C ATOM 678 C LYS A 43 4.736 -7.741 -2.499 1.00 0.00 C ATOM 679 O LYS A 43 4.697 -8.973 -2.577 1.00 0.00 O ATOM 680 CB LYS A 43 4.714 -7.045 -0.080 1.00 0.00 C ATOM 681 CG LYS A 43 6.071 -6.326 -0.157 1.00 0.00 C ATOM 682 CD LYS A 43 6.834 -6.416 1.171 1.00 0.00 C ATOM 683 CE LYS A 43 7.429 -7.806 1.419 1.00 0.00 C ATOM 684 NZ LYS A 43 8.171 -7.841 2.691 1.00 0.00 N ATOM 0 H LYS A 43 2.778 -8.677 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 43 3.783 -5.991 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.106 -6.578 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.875 -8.080 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.672 -6.766 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.915 -5.279 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.635 -5.677 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.161 -6.162 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.632 -8.549 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.094 -8.073 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.565 -8.792 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.945 -7.147 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.528 -7.608 3.475 1.00 0.00 H new ATOM 698 N LYS A 44 5.489 -6.973 -3.297 1.00 0.00 N ATOM 699 CA LYS A 44 6.467 -7.493 -4.245 1.00 0.00 C ATOM 700 C LYS A 44 7.705 -6.593 -4.255 1.00 0.00 C ATOM 701 O LYS A 44 7.584 -5.370 -4.172 1.00 0.00 O ATOM 702 CB LYS A 44 5.844 -7.564 -5.643 1.00 0.00 C ATOM 703 CG LYS A 44 6.696 -8.316 -6.682 1.00 0.00 C ATOM 704 CD LYS A 44 6.657 -7.587 -8.031 1.00 0.00 C ATOM 705 CE LYS A 44 7.452 -8.331 -9.112 1.00 0.00 C ATOM 706 NZ LYS A 44 8.870 -8.481 -8.743 1.00 0.00 N ATOM 0 H LYS A 44 5.430 -5.955 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 44 6.767 -8.497 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.871 -8.049 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.668 -6.550 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.725 -8.392 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.323 -9.334 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.622 -7.478 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.061 -6.582 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.012 -9.315 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.377 -7.790 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.460 -8.414 -9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.137 -7.728 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.016 -9.408 -8.294 1.00 0.00 H new ATOM 720 N THR A 45 8.890 -7.198 -4.368 1.00 0.00 N ATOM 721 CA THR A 45 10.126 -6.466 -4.640 1.00 0.00 C ATOM 722 C THR A 45 10.057 -5.798 -6.021 1.00 0.00 C ATOM 723 O THR A 45 9.508 -6.378 -6.957 1.00 0.00 O ATOM 724 CB THR A 45 11.341 -7.399 -4.492 1.00 0.00 C ATOM 725 OG1 THR A 45 12.529 -6.640 -4.542 1.00 0.00 O ATOM 726 CG2 THR A 45 11.407 -8.486 -5.571 1.00 0.00 C ATOM 0 H THR A 45 9.018 -8.206 -4.274 1.00 0.00 H new ATOM 0 HA THR A 45 10.246 -5.668 -3.907 1.00 0.00 H new ATOM 0 HB THR A 45 11.231 -7.900 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.302 -7.235 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.287 -9.108 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.511 -9.104 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.470 -8.019 -6.554 1.00 0.00 H new ATOM 734 N ILE A 46 10.607 -4.586 -6.148 1.00 0.00 N ATOM 735 CA ILE A 46 10.670 -3.822 -7.388 1.00 0.00 C ATOM 736 C ILE A 46 12.130 -3.643 -7.829 1.00 0.00 C ATOM 737 O ILE A 46 12.990 -3.179 -7.067 1.00 0.00 O ATOM 738 CB ILE A 46 9.854 -2.513 -7.269 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.793 -2.402 -8.379 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.697 -1.230 -7.296 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.665 -3.427 -8.227 1.00 0.00 C ATOM 0 H ILE A 46 11.034 -4.098 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 46 10.191 -4.375 -8.196 1.00 0.00 H new ATOM 0 HB ILE A 46 9.387 -2.587 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.369 -1.398 -8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.273 -2.537 -9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.043 -0.363 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.401 -1.240 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.246 -1.175 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.947 -3.301 -9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.081 -4.434 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.163 -3.277 -7.271 1.00 0.00 H new ATOM 753 N TYR A 47 12.400 -4.038 -9.075 1.00 0.00 N ATOM 754 CA TYR A 47 13.693 -3.916 -9.724 1.00 0.00 C ATOM 755 C TYR A 47 13.732 -2.653 -10.582 1.00 0.00 C ATOM 756 O TYR A 47 12.709 -2.007 -10.809 1.00 0.00 O ATOM 757 CB TYR A 47 13.951 -5.156 -10.591 1.00 0.00 C ATOM 758 CG TYR A 47 13.965 -6.465 -9.828 1.00 0.00 C ATOM 759 CD1 TYR A 47 15.155 -6.918 -9.232 1.00 0.00 C ATOM 760 CD2 TYR A 47 12.800 -7.253 -9.752 1.00 0.00 C ATOM 761 CE1 TYR A 47 15.180 -8.143 -8.544 1.00 0.00 C ATOM 762 CE2 TYR A 47 12.827 -8.480 -9.069 1.00 0.00 C ATOM 763 CZ TYR A 47 14.008 -8.916 -8.448 1.00 0.00 C ATOM 764 OH TYR A 47 14.014 -10.093 -7.761 1.00 0.00 O ATOM 0 H TYR A 47 11.695 -4.466 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 47 14.472 -3.843 -8.965 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.184 -5.209 -11.364 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.908 -5.036 -11.099 1.00 0.00 H new ATOM 0 HD1 TYR A 47 16.053 -6.322 -9.303 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.887 -6.914 -10.218 1.00 0.00 H new ATOM 0 HE1 TYR A 47 16.096 -8.490 -8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.937 -9.090 -9.021 1.00 0.00 H new ATOM 0 HH TYR A 47 13.121 -10.496 -7.795 1.00 0.00 H new ATOM 884 N ILE A 55 17.924 -4.528 -7.888 1.00 0.00 N ATOM 885 CA ILE A 55 16.849 -4.233 -6.944 1.00 0.00 C ATOM 886 C ILE A 55 16.831 -2.719 -6.712 1.00 0.00 C ATOM 887 O ILE A 55 17.897 -2.138 -6.514 1.00 0.00 O ATOM 888 CB ILE A 55 17.086 -4.996 -5.624 1.00 0.00 C ATOM 889 CG1 ILE A 55 17.069 -6.518 -5.864 1.00 0.00 C ATOM 890 CG2 ILE A 55 16.022 -4.618 -4.578 1.00 0.00 C ATOM 891 CD1 ILE A 55 17.711 -7.302 -4.714 1.00 0.00 C ATOM 0 HA ILE A 55 15.885 -4.553 -7.340 1.00 0.00 H new ATOM 0 HB ILE A 55 18.067 -4.712 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.039 -6.850 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.597 -6.742 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.208 -5.167 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.071 -3.547 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.032 -4.871 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.672 -8.369 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.750 -6.993 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.168 -7.103 -3.790 1.00 0.00 H new ATOM 903 N LYS A 56 15.652 -2.084 -6.728 1.00 0.00 N ATOM 904 CA LYS A 56 15.524 -0.660 -6.422 1.00 0.00 C ATOM 905 C LYS A 56 14.652 -0.424 -5.187 1.00 0.00 C ATOM 906 O LYS A 56 14.878 0.538 -4.453 1.00 0.00 O ATOM 907 CB LYS A 56 14.971 0.099 -7.638 1.00 0.00 C ATOM 908 CG LYS A 56 15.250 1.606 -7.491 1.00 0.00 C ATOM 909 CD LYS A 56 14.581 2.512 -8.536 1.00 0.00 C ATOM 910 CE LYS A 56 13.095 2.789 -8.262 1.00 0.00 C ATOM 911 NZ LYS A 56 12.210 1.721 -8.758 1.00 0.00 N ATOM 0 H LYS A 56 14.768 -2.542 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 56 16.518 -0.276 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.432 -0.277 -8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.898 -0.073 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.923 1.922 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.328 1.764 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.116 3.461 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.679 2.050 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.945 2.909 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.815 3.733 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.301 2.132 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.656 1.250 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.047 1.026 -8.002 1.00 0.00 H new ATOM 925 N GLY A 57 13.633 -1.253 -4.959 1.00 0.00 N ATOM 926 CA GLY A 57 12.663 -0.963 -3.919 1.00 0.00 C ATOM 927 C GLY A 57 11.656 -2.091 -3.777 1.00 0.00 C ATOM 928 O GLY A 57 11.955 -3.232 -4.119 1.00 0.00 O ATOM 0 H GLY A 57 13.464 -2.116 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.178 -0.810 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.142 -0.034 -4.152 1.00 0.00 H new ATOM 932 N TYR A 58 10.457 -1.771 -3.289 1.00 0.00 N ATOM 933 CA TYR A 58 9.337 -2.684 -3.164 1.00 0.00 C ATOM 934 C TYR A 58 8.056 -1.905 -3.435 1.00 0.00 C ATOM 935 O TYR A 58 8.051 -0.679 -3.321 1.00 0.00 O ATOM 936 CB TYR A 58 9.272 -3.277 -1.751 1.00 0.00 C ATOM 937 CG TYR A 58 10.589 -3.768 -1.180 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.500 -2.849 -0.625 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.942 -5.127 -1.271 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.783 -3.270 -0.243 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.235 -5.545 -0.910 1.00 0.00 C ATOM 942 CZ TYR A 58 13.162 -4.610 -0.418 1.00 0.00 C ATOM 943 OH TYR A 58 14.428 -5.001 -0.099 1.00 0.00 O ATOM 0 H TYR A 58 10.238 -0.831 -2.959 1.00 0.00 H new ATOM 0 HA TYR A 58 9.457 -3.501 -3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.865 -2.522 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.568 -4.109 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.210 -1.817 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.219 -5.850 -1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.478 -2.563 0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.516 -6.583 -1.011 1.00 0.00 H new ATOM 0 HH TYR A 58 14.529 -5.959 -0.277 1.00 0.00 H new ATOM 953 N GLU A 59 6.981 -2.630 -3.745 1.00 0.00 N ATOM 954 CA GLU A 59 5.625 -2.105 -3.815 1.00 0.00 C ATOM 955 C GLU A 59 4.718 -2.928 -2.903 1.00 0.00 C ATOM 956 O GLU A 59 4.980 -4.115 -2.687 1.00 0.00 O ATOM 957 CB GLU A 59 5.101 -2.113 -5.253 1.00 0.00 C ATOM 958 CG GLU A 59 5.764 -1.011 -6.092 1.00 0.00 C ATOM 959 CD GLU A 59 5.198 -0.924 -7.508 1.00 0.00 C ATOM 960 OE1 GLU A 59 4.107 -1.491 -7.738 1.00 0.00 O ATOM 961 OE2 GLU A 59 5.870 -0.279 -8.341 1.00 0.00 O ATOM 0 H GLU A 59 7.035 -3.626 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 59 5.631 -1.068 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.293 -3.085 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.020 -1.971 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.631 -0.051 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.837 -1.197 -6.145 1.00 0.00 H new ATOM 968 N TYR A 60 3.664 -2.286 -2.383 1.00 0.00 N ATOM 969 CA TYR A 60 2.685 -2.862 -1.479 1.00 0.00 C ATOM 970 C TYR A 60 1.303 -2.440 -1.967 1.00 0.00 C ATOM 971 O TYR A 60 1.013 -1.248 -1.988 1.00 0.00 O ATOM 972 CB TYR A 60 2.877 -2.321 -0.058 1.00 0.00 C ATOM 973 CG TYR A 60 4.214 -2.599 0.597 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.340 -1.818 0.275 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.282 -3.513 1.663 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.539 -1.982 0.991 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.460 -3.630 2.416 1.00 0.00 C ATOM 978 CZ TYR A 60 6.592 -2.877 2.073 1.00 0.00 C ATOM 979 OH TYR A 60 7.732 -3.015 2.806 1.00 0.00 O ATOM 0 H TYR A 60 3.470 -1.308 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 60 2.797 -3.946 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.726 -1.242 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.094 -2.739 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.283 -1.092 -0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.426 -4.126 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.418 -1.421 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.495 -4.301 3.261 1.00 0.00 H new ATOM 0 HH TYR A 60 8.295 -2.221 2.688 1.00 0.00 H new ATOM 989 N GLN A 61 0.459 -3.397 -2.337 1.00 0.00 N ATOM 990 CA GLN A 61 -0.917 -3.175 -2.749 1.00 0.00 C ATOM 991 C GLN A 61 -1.827 -3.676 -1.630 1.00 0.00 C ATOM 992 O GLN A 61 -1.888 -4.888 -1.402 1.00 0.00 O ATOM 993 CB GLN A 61 -1.152 -3.920 -4.068 1.00 0.00 C ATOM 994 CG GLN A 61 -2.564 -3.674 -4.617 1.00 0.00 C ATOM 995 CD GLN A 61 -3.444 -4.924 -4.673 1.00 0.00 C ATOM 996 OE1 GLN A 61 -4.120 -5.154 -5.673 1.00 0.00 O ATOM 997 NE2 GLN A 61 -3.476 -5.727 -3.613 1.00 0.00 N ATOM 0 H GLN A 61 0.726 -4.381 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.132 -2.120 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.415 -3.598 -4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.003 -4.989 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.057 -2.925 -3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.483 -3.255 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.905 -5.514 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.071 -6.555 -3.618 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.530 -2.772 -0.938 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.308 -3.115 0.247 1.00 0.00 C ATOM 1008 C LEU A 62 -4.657 -2.399 0.258 1.00 0.00 C ATOM 1009 O LEU A 62 -4.811 -1.360 -0.380 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.467 -2.893 1.519 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.757 -1.529 1.653 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.697 -0.402 2.094 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.640 -1.649 2.697 1.00 0.00 C ATOM 0 H LEU A 62 -2.572 -1.784 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.553 -4.177 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.117 -3.024 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.711 -3.676 1.567 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.371 -1.275 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.137 0.530 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.496 -0.287 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.127 -0.646 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.132 -0.690 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.069 -1.936 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.076 -2.406 2.378 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.647 -2.980 0.942 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.999 -2.458 1.023 1.00 0.00 C ATOM 1027 C TYR A 63 -7.202 -1.786 2.385 1.00 0.00 C ATOM 1028 O TYR A 63 -7.324 -2.454 3.414 1.00 0.00 O ATOM 1029 CB TYR A 63 -7.977 -3.600 0.742 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.171 -3.869 -0.741 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.147 -4.479 -1.487 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.338 -3.428 -1.395 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.312 -4.705 -2.865 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.499 -3.645 -2.774 1.00 0.00 C ATOM 1035 CZ TYR A 63 -8.485 -4.281 -3.509 1.00 0.00 C ATOM 1036 OH TYR A 63 -8.630 -4.451 -4.854 1.00 0.00 O ATOM 0 H TYR A 63 -5.519 -3.847 1.464 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.183 -1.688 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.615 -4.507 1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.941 -3.363 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.230 -4.775 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.111 -2.922 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.537 -5.204 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.403 -3.323 -3.269 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.502 -4.103 -5.136 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.199 -0.450 2.380 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.288 0.400 3.556 1.00 0.00 C ATOM 1048 C VAL A 64 -8.735 0.843 3.776 1.00 0.00 C ATOM 1049 O VAL A 64 -9.415 1.263 2.840 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.294 1.571 3.452 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.459 2.432 2.192 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.380 2.471 4.690 1.00 0.00 C ATOM 0 H VAL A 64 -7.131 0.086 1.515 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.998 -0.164 4.443 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.313 1.101 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.720 3.233 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.314 1.813 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.460 2.863 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.669 3.291 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.389 2.874 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.144 1.888 5.580 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.202 0.742 5.022 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.516 1.172 5.466 1.00 0.00 C ATOM 1064 C TYR A 65 -10.384 2.557 6.100 1.00 0.00 C ATOM 1065 O TYR A 65 -9.627 2.726 7.060 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.080 0.156 6.480 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.316 -0.602 6.031 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.439 0.104 5.560 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.400 -1.993 6.226 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.619 -0.582 5.233 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.584 -2.679 5.903 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.696 -1.973 5.419 1.00 0.00 C ATOM 1073 OH TYR A 65 -15.853 -2.637 5.144 1.00 0.00 O ATOM 0 H TYR A 65 -8.646 0.340 5.776 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.204 1.226 4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.299 -0.566 6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.315 0.684 7.404 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.392 1.177 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.554 -2.534 6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.467 -0.042 4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.638 -3.750 6.028 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.733 -3.592 5.327 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.133 3.538 5.589 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.191 4.883 6.139 1.00 0.00 C ATOM 1085 C ALA A 66 -12.638 5.367 6.091 1.00 0.00 C ATOM 1086 O ALA A 66 -13.300 5.216 5.071 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.261 5.799 5.342 1.00 0.00 C ATOM 0 H ALA A 66 -11.724 3.411 4.767 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.857 4.893 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.304 6.808 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.239 5.424 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.576 5.819 4.299 1.00 0.00 H new ATOM 1093 N SER A 67 -13.157 5.892 7.201 1.00 0.00 N ATOM 1094 CA SER A 67 -14.553 6.302 7.347 1.00 0.00 C ATOM 1095 C SER A 67 -15.517 5.192 6.904 1.00 0.00 C ATOM 1096 O SER A 67 -16.517 5.461 6.244 1.00 0.00 O ATOM 1097 CB SER A 67 -14.815 7.596 6.565 1.00 0.00 C ATOM 1098 OG SER A 67 -13.914 8.625 6.937 1.00 0.00 O ATOM 0 H SER A 67 -12.604 6.048 8.044 1.00 0.00 H new ATOM 0 HA SER A 67 -14.737 6.490 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.723 7.400 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.838 7.927 6.742 1.00 0.00 H new ATOM 0 HG SER A 67 -14.265 9.101 7.719 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.189 3.942 7.250 1.00 0.00 N ATOM 1105 CA ASP A 68 -15.905 2.742 6.824 1.00 0.00 C ATOM 1106 C ASP A 68 -16.139 2.690 5.303 1.00 0.00 C ATOM 1107 O ASP A 68 -17.125 2.125 4.835 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.201 2.576 7.636 1.00 0.00 C ATOM 1109 CG ASP A 68 -17.862 1.214 7.420 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.114 0.219 7.314 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.113 1.192 7.384 1.00 0.00 O ATOM 0 H ASP A 68 -14.393 3.735 7.853 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.268 1.883 7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.980 2.704 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.902 3.364 7.359 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.206 3.241 4.522 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.130 3.097 3.079 1.00 0.00 C ATOM 1118 C LYS A 69 -13.792 2.424 2.789 1.00 0.00 C ATOM 1119 O LYS A 69 -12.763 2.833 3.331 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.223 4.474 2.409 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.630 5.077 2.489 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.523 4.534 1.364 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.944 5.099 1.453 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.665 4.572 2.625 1.00 0.00 N ATOM 0 H LYS A 69 -14.457 3.821 4.900 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.952 2.499 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.514 5.153 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.929 4.385 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.075 4.845 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.569 6.163 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.089 4.790 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.559 3.446 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.901 6.187 1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.493 4.849 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.665 4.852 2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.596 3.534 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.243 4.957 3.494 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.814 1.356 1.989 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.637 0.569 1.672 1.00 0.00 C ATOM 1140 C LEU A 70 -12.049 1.085 0.357 1.00 0.00 C ATOM 1141 O LEU A 70 -12.764 1.182 -0.641 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.034 -0.913 1.604 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.828 -1.862 1.519 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.164 -2.019 2.892 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.298 -3.239 1.035 1.00 0.00 C ATOM 0 H LEU A 70 -14.665 1.015 1.541 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.869 0.665 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.624 -1.165 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.674 -1.071 0.736 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.105 -1.441 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.313 -2.695 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.822 -1.046 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.885 -2.428 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.444 -3.914 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.029 -3.641 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.755 -3.142 0.050 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.763 1.440 0.365 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.015 1.922 -0.789 1.00 0.00 C ATOM 1159 C PHE A 71 -8.787 1.035 -0.964 1.00 0.00 C ATOM 1160 O PHE A 71 -8.251 0.533 0.021 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.572 3.371 -0.557 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.697 4.387 -0.573 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.424 4.654 0.601 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.923 5.163 -1.726 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.364 5.697 0.622 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.873 6.196 -1.706 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.595 6.465 -0.532 1.00 0.00 C ATOM 0 H PHE A 71 -10.195 1.396 1.211 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.640 1.887 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.060 3.431 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.845 3.642 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.259 4.057 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.364 4.963 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -12.911 5.910 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.049 6.785 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.326 7.260 -0.516 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.327 0.862 -2.202 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.077 0.184 -2.492 1.00 0.00 C ATOM 1179 C ARG A 72 -5.977 1.239 -2.553 1.00 0.00 C ATOM 1180 O ARG A 72 -6.080 2.172 -3.350 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.172 -0.570 -3.821 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.994 -1.543 -3.934 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.883 -2.111 -5.348 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.089 -1.215 -6.200 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.270 -1.590 -7.195 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.161 -2.874 -7.565 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -3.544 -0.655 -7.815 1.00 0.00 N ATOM 0 H ARG A 72 -8.818 1.192 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.855 -0.547 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.115 -1.114 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.159 0.133 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.069 -1.031 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.121 -2.357 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.419 -3.097 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.878 -2.241 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.168 -0.214 -6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.707 -3.591 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.532 -3.134 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.619 0.321 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.915 -0.918 -8.574 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.928 1.091 -1.746 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.755 1.941 -1.811 1.00 0.00 C ATOM 1203 C ALA A 73 -2.584 1.105 -2.316 1.00 0.00 C ATOM 1204 O ALA A 73 -2.372 -0.014 -1.843 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.469 2.561 -0.442 1.00 0.00 C ATOM 0 H ALA A 73 -4.874 0.371 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.921 2.768 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.586 3.196 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.324 3.160 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.293 1.769 0.286 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.844 1.650 -3.283 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.573 1.109 -3.740 1.00 0.00 C ATOM 1213 C ASP A 74 0.509 2.041 -3.221 1.00 0.00 C ATOM 1214 O ASP A 74 0.466 3.241 -3.497 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.543 1.017 -5.265 1.00 0.00 C ATOM 1216 CG ASP A 74 0.780 0.474 -5.799 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.446 -0.282 -5.059 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.096 0.827 -6.955 1.00 0.00 O ATOM 0 H ASP A 74 -2.122 2.498 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.418 0.097 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.357 0.374 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.722 2.006 -5.688 1.00 0.00 H new ATOM 1223 N ILE A 75 1.438 1.487 -2.447 1.00 0.00 N ATOM 1224 CA ILE A 75 2.542 2.180 -1.805 1.00 0.00 C ATOM 1225 C ILE A 75 3.825 1.670 -2.460 1.00 0.00 C ATOM 1226 O ILE A 75 3.893 0.496 -2.823 1.00 0.00 O ATOM 1227 CB ILE A 75 2.562 1.882 -0.288 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.172 1.739 0.362 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.398 2.923 0.470 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.310 2.997 0.269 1.00 0.00 C ATOM 0 H ILE A 75 1.437 0.488 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 75 2.442 3.259 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 75 3.029 0.901 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.643 0.913 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.299 1.475 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.394 2.688 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.423 2.907 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.972 3.914 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.652 2.815 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.816 3.822 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.150 3.252 -0.779 1.00 0.00 H new ATOM 1242 N SER A 76 4.834 2.532 -2.593 1.00 0.00 N ATOM 1243 CA SER A 76 6.187 2.162 -2.990 1.00 0.00 C ATOM 1244 C SER A 76 7.101 2.384 -1.791 1.00 0.00 C ATOM 1245 O SER A 76 6.788 3.224 -0.947 1.00 0.00 O ATOM 1246 CB SER A 76 6.640 3.022 -4.166 1.00 0.00 C ATOM 1247 OG SER A 76 7.952 2.677 -4.569 1.00 0.00 O ATOM 0 H SER A 76 4.727 3.532 -2.422 1.00 0.00 H new ATOM 0 HA SER A 76 6.221 1.118 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.953 2.893 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.606 4.075 -3.886 1.00 0.00 H new ATOM 0 HG SER A 76 8.221 3.240 -5.325 1.00 0.00 H new ATOM 1253 N GLU A 77 8.216 1.651 -1.745 1.00 0.00 N ATOM 1254 CA GLU A 77 9.337 1.832 -0.836 1.00 0.00 C ATOM 1255 C GLU A 77 10.596 1.824 -1.689 1.00 0.00 C ATOM 1256 O GLU A 77 10.900 0.797 -2.291 1.00 0.00 O ATOM 1257 CB GLU A 77 9.346 0.688 0.185 1.00 0.00 C ATOM 1258 CG GLU A 77 10.533 0.757 1.157 1.00 0.00 C ATOM 1259 CD GLU A 77 10.609 -0.479 2.050 1.00 0.00 C ATOM 1260 OE1 GLU A 77 9.532 -1.035 2.355 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.749 -0.856 2.402 1.00 0.00 O ATOM 0 H GLU A 77 8.364 0.869 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 77 9.270 2.767 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.417 0.710 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.373 -0.264 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.460 0.854 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.443 1.649 1.778 1.00 0.00 H new ATOM 1268 N ASP A 78 11.324 2.943 -1.744 1.00 0.00 N ATOM 1269 CA ASP A 78 12.600 2.996 -2.449 1.00 0.00 C ATOM 1270 C ASP A 78 13.694 2.551 -1.483 1.00 0.00 C ATOM 1271 O ASP A 78 13.823 3.141 -0.413 1.00 0.00 O ATOM 1272 CB ASP A 78 12.871 4.412 -2.963 1.00 0.00 C ATOM 1273 CG ASP A 78 14.211 4.466 -3.690 1.00 0.00 C ATOM 1274 OD1 ASP A 78 15.235 4.598 -2.987 1.00 0.00 O ATOM 1275 OD2 ASP A 78 14.189 4.347 -4.935 1.00 0.00 O ATOM 0 H ASP A 78 11.048 3.823 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 78 12.579 2.334 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.072 4.720 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.874 5.114 -2.129 1.00 0.00 H new ATOM 1280 N TYR A 79 14.479 1.536 -1.852 1.00 0.00 N ATOM 1281 CA TYR A 79 15.495 0.946 -0.990 1.00 0.00 C ATOM 1282 C TYR A 79 16.517 1.995 -0.547 1.00 0.00 C ATOM 1283 O TYR A 79 16.848 2.086 0.633 1.00 0.00 O ATOM 1284 CB TYR A 79 16.183 -0.206 -1.742 1.00 0.00 C ATOM 1285 CG TYR A 79 17.149 -1.032 -0.914 1.00 0.00 C ATOM 1286 CD1 TYR A 79 18.466 -0.582 -0.697 1.00 0.00 C ATOM 1287 CD2 TYR A 79 16.750 -2.285 -0.412 1.00 0.00 C ATOM 1288 CE1 TYR A 79 19.363 -1.361 0.053 1.00 0.00 C ATOM 1289 CE2 TYR A 79 17.651 -3.068 0.330 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.954 -2.603 0.569 1.00 0.00 C ATOM 1291 OH TYR A 79 19.823 -3.369 1.287 1.00 0.00 O ATOM 0 H TYR A 79 14.423 1.098 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 79 15.019 0.557 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.415 -0.868 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.722 0.208 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 79 18.787 0.364 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 79 15.749 -2.646 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 79 20.367 -1.006 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 79 17.341 -4.028 0.716 1.00 0.00 H new ATOM 0 HH TYR A 79 19.376 -4.194 1.569 1.00 0.00 H new ATOM 1301 N LYS A 80 17.040 2.760 -1.508 1.00 0.00 N ATOM 1302 CA LYS A 80 18.171 3.650 -1.300 1.00 0.00 C ATOM 1303 C LYS A 80 17.780 4.823 -0.399 1.00 0.00 C ATOM 1304 O LYS A 80 18.446 5.091 0.597 1.00 0.00 O ATOM 1305 CB LYS A 80 18.708 4.092 -2.668 1.00 0.00 C ATOM 1306 CG LYS A 80 20.067 4.796 -2.553 1.00 0.00 C ATOM 1307 CD LYS A 80 20.659 5.129 -3.930 1.00 0.00 C ATOM 1308 CE LYS A 80 21.111 3.875 -4.693 1.00 0.00 C ATOM 1309 NZ LYS A 80 21.772 4.225 -5.962 1.00 0.00 N ATOM 0 H LYS A 80 16.681 2.775 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 80 18.974 3.130 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.804 3.222 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.991 4.764 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.953 5.714 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.761 4.159 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.916 5.663 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 80 21.509 5.800 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.796 3.297 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.249 3.239 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.065 3.356 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.110 4.755 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 22.609 4.811 -5.767 1.00 0.00 H new ATOM 1323 N THR A 81 16.691 5.516 -0.739 1.00 0.00 N ATOM 1324 CA THR A 81 16.121 6.553 0.108 1.00 0.00 C ATOM 1325 C THR A 81 15.655 5.938 1.427 1.00 0.00 C ATOM 1326 O THR A 81 15.694 6.586 2.471 1.00 0.00 O ATOM 1327 CB THR A 81 14.948 7.217 -0.628 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.325 7.474 -1.966 1.00 0.00 O ATOM 1329 CG2 THR A 81 14.529 8.531 0.037 1.00 0.00 C ATOM 0 H THR A 81 16.183 5.370 -1.611 1.00 0.00 H new ATOM 0 HA THR A 81 16.873 7.311 0.328 1.00 0.00 H new ATOM 0 HB THR A 81 14.099 6.535 -0.591 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.579 7.896 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.697 8.969 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.222 8.337 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.370 9.224 0.035 1.00 0.00 H new ATOM 1337 N ARG A 82 15.176 4.692 1.361 1.00 0.00 N ATOM 1338 CA ARG A 82 14.620 3.950 2.476 1.00 0.00 C ATOM 1339 C ARG A 82 13.352 4.640 2.981 1.00 0.00 C ATOM 1340 O ARG A 82 13.048 4.636 4.173 1.00 0.00 O ATOM 1341 CB ARG A 82 15.689 3.763 3.561 1.00 0.00 C ATOM 1342 CG ARG A 82 15.496 2.413 4.246 1.00 0.00 C ATOM 1343 CD ARG A 82 16.138 2.428 5.637 1.00 0.00 C ATOM 1344 NE ARG A 82 16.036 1.115 6.288 1.00 0.00 N ATOM 1345 CZ ARG A 82 16.241 0.891 7.595 1.00 0.00 C ATOM 1346 NH1 ARG A 82 16.549 1.902 8.418 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.138 -0.354 8.074 1.00 0.00 N ATOM 0 H ARG A 82 15.169 4.160 0.491 1.00 0.00 H new ATOM 0 HA ARG A 82 14.322 2.951 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.684 3.818 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.621 4.567 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.433 2.189 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.941 1.623 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.187 2.714 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.651 3.182 6.256 1.00 0.00 H new ATOM 0 HE ARG A 82 15.792 0.315 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.629 2.851 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.703 1.723 9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.905 -1.124 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.292 -0.533 9.066 1.00 0.00 H new ATOM 1361 N GLY A 83 12.602 5.229 2.051 1.00 0.00 N ATOM 1362 CA GLY A 83 11.396 5.989 2.324 1.00 0.00 C ATOM 1363 C GLY A 83 10.265 5.406 1.495 1.00 0.00 C ATOM 1364 O GLY A 83 10.499 4.962 0.366 1.00 0.00 O ATOM 0 H GLY A 83 12.829 5.186 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.151 5.944 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.545 7.040 2.076 1.00 0.00 H new ATOM 1368 N ARG A 84 9.057 5.390 2.066 1.00 0.00 N ATOM 1369 CA ARG A 84 7.863 4.976 1.362 1.00 0.00 C ATOM 1370 C ARG A 84 7.162 6.175 0.744 1.00 0.00 C ATOM 1371 O ARG A 84 7.403 7.312 1.145 1.00 0.00 O ATOM 1372 CB ARG A 84 6.877 4.273 2.296 1.00 0.00 C ATOM 1373 CG ARG A 84 7.439 3.060 3.042 1.00 0.00 C ATOM 1374 CD ARG A 84 7.818 3.329 4.505 1.00 0.00 C ATOM 1375 NE ARG A 84 9.180 3.861 4.668 1.00 0.00 N ATOM 1376 CZ ARG A 84 9.703 4.188 5.859 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.945 4.140 6.958 1.00 0.00 N ATOM 1378 NH2 ARG A 84 10.987 4.550 5.962 1.00 0.00 N ATOM 0 H ARG A 84 8.890 5.667 3.033 1.00 0.00 H new ATOM 0 HA ARG A 84 8.179 4.282 0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.517 4.995 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.014 3.953 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.701 2.258 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.321 2.701 2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.107 4.035 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.728 2.403 5.072 1.00 0.00 H new ATOM 0 HE ARG A 84 9.754 3.987 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.968 3.855 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.343 4.389 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.577 4.579 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.376 4.797 6.872 1.00 0.00 H new ATOM 1392 N LYS A 85 6.234 5.900 -0.173 1.00 0.00 N ATOM 1393 CA LYS A 85 5.331 6.903 -0.718 1.00 0.00 C ATOM 1394 C LYS A 85 4.113 6.257 -1.367 1.00 0.00 C ATOM 1395 O LYS A 85 4.189 5.119 -1.824 1.00 0.00 O ATOM 1396 CB LYS A 85 6.078 7.870 -1.649 1.00 0.00 C ATOM 1397 CG LYS A 85 6.573 7.300 -2.987 1.00 0.00 C ATOM 1398 CD LYS A 85 5.444 7.191 -4.026 1.00 0.00 C ATOM 1399 CE LYS A 85 5.945 7.421 -5.455 1.00 0.00 C ATOM 1400 NZ LYS A 85 6.908 6.390 -5.876 1.00 0.00 N ATOM 0 H LYS A 85 6.090 4.967 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 85 4.947 7.507 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.421 8.713 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.938 8.265 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.366 7.937 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.008 6.314 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.985 6.205 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.668 7.920 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.097 7.426 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.414 8.403 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.221 6.584 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.730 6.402 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.454 5.455 -5.838 1.00 0.00 H new ATOM 1414 N LEU A 86 2.988 6.973 -1.404 1.00 0.00 N ATOM 1415 CA LEU A 86 1.779 6.520 -2.075 1.00 0.00 C ATOM 1416 C LEU A 86 1.986 6.577 -3.593 1.00 0.00 C ATOM 1417 O LEU A 86 2.198 7.659 -4.132 1.00 0.00 O ATOM 1418 CB LEU A 86 0.614 7.432 -1.660 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.726 6.958 -2.251 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.565 6.261 -1.179 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.492 8.145 -2.845 1.00 0.00 C ATOM 0 H LEU A 86 2.895 7.889 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 86 1.552 5.492 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.542 7.457 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.816 8.451 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.523 6.242 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.509 5.932 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.021 5.398 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.763 6.956 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.438 7.797 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.687 8.880 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.897 8.604 -3.634 1.00 0.00 H new ATOM 1433 N LEU A 87 1.904 5.438 -4.286 1.00 0.00 N ATOM 1434 CA LEU A 87 1.827 5.424 -5.743 1.00 0.00 C ATOM 1435 C LEU A 87 0.419 5.835 -6.168 1.00 0.00 C ATOM 1436 O LEU A 87 0.270 6.710 -7.017 1.00 0.00 O ATOM 1437 CB LEU A 87 2.169 4.042 -6.323 1.00 0.00 C ATOM 1438 CG LEU A 87 3.677 3.782 -6.432 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.911 2.289 -6.687 1.00 0.00 C ATOM 1440 CD2 LEU A 87 4.309 4.565 -7.592 1.00 0.00 C ATOM 0 H LEU A 87 1.889 4.513 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 87 2.562 6.129 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.720 3.272 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.720 3.950 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 87 4.137 4.106 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.981 2.097 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.498 1.710 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.421 1.997 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.377 4.353 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.842 4.266 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.157 5.633 -7.436 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.616 5.201 -5.603 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.991 5.539 -5.957 1.00 0.00 C ATOM 1454 C ARG A 88 -2.959 5.145 -4.844 1.00 0.00 C ATOM 1455 O ARG A 88 -2.623 4.311 -4.002 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.359 4.921 -7.320 1.00 0.00 C ATOM 1457 CG ARG A 88 -3.003 3.531 -7.231 1.00 0.00 C ATOM 1458 CD ARG A 88 -2.843 2.774 -8.554 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.544 2.090 -8.619 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.187 1.220 -9.572 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -2.008 0.963 -10.597 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.005 0.603 -9.490 1.00 0.00 N ATOM 0 H ARG A 88 -0.525 4.460 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.075 6.621 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.044 5.593 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.458 4.853 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.543 2.962 -6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.061 3.630 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.647 2.045 -8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.933 3.470 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.865 2.293 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.912 1.431 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.729 0.299 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.618 0.796 -8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.275 -0.061 -10.212 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.154 5.746 -4.863 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.253 5.502 -3.939 1.00 0.00 C ATOM 1478 C PHE A 89 -6.530 5.408 -4.775 1.00 0.00 C ATOM 1479 O PHE A 89 -7.037 6.434 -5.223 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.331 6.659 -2.931 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.288 6.447 -1.774 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -7.611 6.917 -1.860 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -5.808 5.926 -0.556 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -8.434 6.910 -0.720 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -6.642 5.896 0.576 1.00 0.00 C ATOM 1486 CZ PHE A 89 -7.955 6.390 0.494 1.00 0.00 C ATOM 0 H PHE A 89 -4.387 6.451 -5.562 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.112 4.580 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.334 6.836 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.625 7.564 -3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.994 7.283 -2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.798 5.549 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.437 7.306 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.273 5.493 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.595 6.370 1.363 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.019 4.194 -5.041 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.215 3.957 -5.829 1.00 0.00 C ATOM 1498 C ASN A 90 -9.348 3.548 -4.902 1.00 0.00 C ATOM 1499 O ASN A 90 -9.120 2.939 -3.858 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.991 2.818 -6.831 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.883 3.079 -7.846 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.998 2.251 -8.027 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.917 4.218 -8.535 1.00 0.00 N ATOM 0 H ASN A 90 -6.581 3.337 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.457 4.873 -6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.755 1.907 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.922 2.634 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.197 4.415 -9.230 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.663 4.893 -8.368 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.579 3.837 -5.312 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.783 3.415 -4.617 1.00 0.00 C ATOM 1512 C GLY A 91 -12.771 4.575 -4.505 1.00 0.00 C ATOM 1513 O GLY A 91 -12.567 5.602 -5.157 1.00 0.00 O ATOM 0 H GLY A 91 -10.768 4.382 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.246 2.585 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.527 3.050 -3.622 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.824 4.435 -3.686 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.079 3.280 -2.836 1.00 0.00 C ATOM 1519 C PRO A 92 -14.380 2.033 -3.673 1.00 0.00 C ATOM 1520 O PRO A 92 -14.907 2.143 -4.778 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.269 3.673 -1.959 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.012 4.703 -2.812 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.881 5.421 -3.547 1.00 0.00 C ATOM 0 HA PRO A 92 -13.210 3.024 -2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.898 2.814 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.945 4.097 -1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.706 4.228 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.595 5.390 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.212 5.782 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.537 6.289 -2.986 1.00 0.00 H new