USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot -66:sc= 0.51 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.461 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 173:sc= 0.832 (180deg=0) USER MOD Set 2.2: A 24 GLN : amide:sc= 0.742 K(o=1.6,f=-2) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -175:sc= 0.578 (180deg=0) USER MOD Set 3.2: A 19 TYR OH : rot 150:sc= 0.413 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.412 USER MOD Set 4.2: A 18 THR OG1 : rot -61:sc= 0.438 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 141:sc= 0.851 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 0.805 (180deg=0.715) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00391) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.4!) USER MOD Single : A 45 MET CE :methyl -166:sc= -0.0256 (180deg=-0.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.95 K(o=-0.95,f=-2.8!) USER MOD Single : A 65 SER OG : rot -65:sc= 0.76 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.655 K(o=0.65,f=-5.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00255 K(o=-0.0025,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.95) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 57:sc= 0.773 USER MOD Single : A 107 GLN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.319 8.890 0.643 1.00 0.00 N ATOM 61 CA LYS A 5 12.247 8.586 1.589 1.00 0.00 C ATOM 62 C LYS A 5 10.929 8.730 0.819 1.00 0.00 C ATOM 63 O LYS A 5 10.794 9.614 -0.043 1.00 0.00 O ATOM 64 CB LYS A 5 12.286 9.511 2.806 1.00 0.00 C ATOM 65 CG LYS A 5 11.368 9.090 3.946 1.00 0.00 C ATOM 66 CD LYS A 5 11.657 9.885 5.211 1.00 0.00 C ATOM 67 CE LYS A 5 11.012 11.262 5.160 1.00 0.00 C ATOM 68 NZ LYS A 5 11.122 11.977 6.460 1.00 0.00 N ATOM 0 HA LYS A 5 12.359 7.576 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.309 9.558 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.015 10.518 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.329 9.236 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.496 8.026 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.286 9.339 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.734 9.991 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.486 11.856 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.961 11.160 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.778 12.952 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.549 11.486 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.116 11.993 6.764 1.00 0.00 H new ATOM 82 N VAL A 6 9.988 7.827 1.099 1.00 0.00 N ATOM 83 CA VAL A 6 8.610 7.929 0.608 1.00 0.00 C ATOM 84 C VAL A 6 7.653 7.959 1.805 1.00 0.00 C ATOM 85 O VAL A 6 7.891 7.309 2.830 1.00 0.00 O ATOM 86 CB VAL A 6 8.239 6.760 -0.324 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.401 5.431 0.399 1.00 0.00 C ATOM 88 CG2 VAL A 6 6.814 6.918 -0.834 1.00 0.00 C ATOM 0 H VAL A 6 10.159 7.002 1.674 1.00 0.00 H new ATOM 0 HA VAL A 6 8.525 8.848 0.028 1.00 0.00 H new ATOM 0 HB VAL A 6 8.915 6.772 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.135 4.616 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.437 5.314 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.748 5.409 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.568 6.084 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.125 6.930 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.727 7.853 -1.387 1.00 0.00 H new ATOM 98 N GLU A 7 6.595 8.758 1.681 1.00 0.00 N ATOM 99 CA GLU A 7 5.495 8.782 2.641 1.00 0.00 C ATOM 100 C GLU A 7 4.309 8.048 2.002 1.00 0.00 C ATOM 101 O GLU A 7 3.899 8.363 0.875 1.00 0.00 O ATOM 102 CB GLU A 7 5.117 10.215 3.022 1.00 0.00 C ATOM 103 CG GLU A 7 6.121 10.909 3.931 1.00 0.00 C ATOM 104 CD GLU A 7 5.649 12.284 4.317 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.571 12.655 3.919 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.314 12.920 5.101 1.00 0.00 O ATOM 0 H GLU A 7 6.477 9.411 0.906 1.00 0.00 H new ATOM 0 HA GLU A 7 5.794 8.287 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.003 10.802 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.146 10.202 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.277 10.310 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.084 10.981 3.425 1.00 0.00 H new ATOM 113 N VAL A 8 3.802 7.056 2.732 1.00 0.00 N ATOM 114 CA VAL A 8 2.739 6.151 2.296 1.00 0.00 C ATOM 115 C VAL A 8 1.553 6.301 3.263 1.00 0.00 C ATOM 116 O VAL A 8 1.689 6.065 4.466 1.00 0.00 O ATOM 117 CB VAL A 8 3.203 4.683 2.257 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.049 3.770 1.869 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.362 4.517 1.286 1.00 0.00 C ATOM 0 H VAL A 8 4.131 6.853 3.676 1.00 0.00 H new ATOM 0 HA VAL A 8 2.450 6.418 1.280 1.00 0.00 H new ATOM 0 HB VAL A 8 3.545 4.403 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.395 2.736 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.246 3.868 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.679 4.051 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.677 3.474 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.045 4.815 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.195 5.143 1.604 1.00 0.00 H new ATOM 129 N GLN A 9 0.404 6.722 2.730 1.00 0.00 N ATOM 130 CA GLN A 9 -0.829 6.887 3.507 1.00 0.00 C ATOM 131 C GLN A 9 -1.755 5.714 3.173 1.00 0.00 C ATOM 132 O GLN A 9 -2.128 5.531 2.019 1.00 0.00 O ATOM 133 CB GLN A 9 -1.515 8.220 3.193 1.00 0.00 C ATOM 134 CG GLN A 9 -2.772 8.480 4.006 1.00 0.00 C ATOM 135 CD GLN A 9 -3.356 9.855 3.744 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.780 10.660 3.006 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.503 10.135 4.352 1.00 0.00 N ATOM 0 H GLN A 9 0.301 6.959 1.743 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.592 6.896 4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.808 9.030 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.770 8.244 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.518 7.721 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.542 8.382 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.944 9.439 4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.943 11.046 4.217 1.00 0.00 H new ATOM 146 N VAL A 10 -2.087 4.899 4.185 1.00 0.00 N ATOM 147 CA VAL A 10 -2.934 3.709 4.009 1.00 0.00 C ATOM 148 C VAL A 10 -4.273 3.957 4.706 1.00 0.00 C ATOM 149 O VAL A 10 -4.316 4.216 5.911 1.00 0.00 O ATOM 150 CB VAL A 10 -2.280 2.436 4.580 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.200 1.238 4.396 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.937 2.182 3.913 1.00 0.00 C ATOM 0 H VAL A 10 -1.777 5.045 5.146 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.075 3.545 2.941 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.113 2.583 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.723 0.347 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.140 1.418 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.396 1.090 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.489 1.279 4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.082 2.055 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.276 3.030 4.092 1.00 0.00 H new ATOM 162 N LYS A 11 -5.350 3.911 3.918 1.00 0.00 N ATOM 163 CA LYS A 11 -6.715 4.130 4.383 1.00 0.00 C ATOM 164 C LYS A 11 -7.524 2.861 4.092 1.00 0.00 C ATOM 165 O LYS A 11 -7.675 2.475 2.936 1.00 0.00 O ATOM 166 CB LYS A 11 -7.343 5.349 3.705 1.00 0.00 C ATOM 167 CG LYS A 11 -8.756 5.671 4.175 1.00 0.00 C ATOM 168 CD LYS A 11 -9.352 6.825 3.383 1.00 0.00 C ATOM 169 CE LYS A 11 -10.728 7.207 3.910 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.338 8.312 3.123 1.00 0.00 N ATOM 0 H LYS A 11 -5.292 3.716 2.918 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.712 4.334 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.707 6.216 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.360 5.182 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.387 4.789 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.740 5.924 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.687 7.687 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.428 6.546 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.383 6.336 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.646 7.508 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.274 8.542 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.727 9.152 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.441 8.016 2.131 1.00 0.00 H new ATOM 184 N ILE A 12 -8.036 2.207 5.134 1.00 0.00 N ATOM 185 CA ILE A 12 -8.846 0.985 4.981 1.00 0.00 C ATOM 186 C ILE A 12 -10.194 1.174 5.684 1.00 0.00 C ATOM 187 O ILE A 12 -10.241 1.643 6.813 1.00 0.00 O ATOM 188 CB ILE A 12 -8.138 -0.255 5.554 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.005 -1.502 5.361 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.815 -0.051 7.027 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.280 -2.799 5.640 1.00 0.00 C ATOM 0 H ILE A 12 -7.906 2.501 6.102 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.994 0.818 3.914 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.202 -0.399 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.874 -1.434 6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.378 -1.518 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.315 -0.938 7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.161 0.814 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.738 0.117 7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.959 -3.637 5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.427 -2.891 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.930 -2.805 6.672 1.00 0.00 H new ATOM 203 N THR A 13 -11.286 0.829 4.990 1.00 0.00 N ATOM 204 CA THR A 13 -12.649 0.901 5.531 1.00 0.00 C ATOM 205 C THR A 13 -13.236 -0.519 5.675 1.00 0.00 C ATOM 206 O THR A 13 -13.218 -1.306 4.716 1.00 0.00 O ATOM 207 CB THR A 13 -13.572 1.751 4.638 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.064 3.089 4.558 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.983 1.782 5.206 1.00 0.00 C ATOM 0 H THR A 13 -11.248 0.489 4.029 1.00 0.00 H new ATOM 0 HA THR A 13 -12.590 1.378 6.509 1.00 0.00 H new ATOM 0 HB THR A 13 -13.601 1.306 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.651 3.628 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.621 2.387 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.377 0.767 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.963 2.214 6.206 1.00 0.00 H new ATOM 217 N CYS A 14 -13.722 -0.823 6.894 1.00 0.00 N ATOM 218 CA CYS A 14 -14.446 -2.062 7.220 1.00 0.00 C ATOM 219 C CYS A 14 -15.699 -1.737 8.056 1.00 0.00 C ATOM 220 O CYS A 14 -15.617 -0.940 9.002 1.00 0.00 O ATOM 221 CB CYS A 14 -13.556 -3.048 7.991 1.00 0.00 C ATOM 222 SG CYS A 14 -14.515 -4.384 8.766 1.00 0.00 S ATOM 0 H CYS A 14 -13.619 -0.200 7.695 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.741 -2.531 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.821 -3.479 7.311 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.002 -2.509 8.759 1.00 0.00 H new ATOM 227 N ASN A 15 -16.848 -2.362 7.695 1.00 0.00 N ATOM 228 CA ASN A 15 -18.167 -2.179 8.376 1.00 0.00 C ATOM 229 C ASN A 15 -18.590 -0.692 8.440 1.00 0.00 C ATOM 230 O ASN A 15 -19.429 -0.309 9.272 1.00 0.00 O ATOM 231 CB ASN A 15 -18.155 -2.768 9.775 1.00 0.00 C ATOM 232 CG ASN A 15 -18.120 -4.271 9.797 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.592 -4.937 8.869 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.639 -4.808 10.889 1.00 0.00 N ATOM 0 H ASN A 15 -16.891 -3.016 6.914 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.900 -2.715 7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.288 -2.385 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -19.040 -2.426 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.643 -5.822 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.260 -4.213 11.626 1.00 0.00 H new ATOM 241 N GLY A 16 -18.041 0.126 7.518 1.00 0.00 N ATOM 242 CA GLY A 16 -18.312 1.570 7.479 1.00 0.00 C ATOM 243 C GLY A 16 -17.409 2.373 8.413 1.00 0.00 C ATOM 244 O GLY A 16 -17.626 3.569 8.629 1.00 0.00 O ATOM 0 H GLY A 16 -17.405 -0.196 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.182 1.931 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.353 1.746 7.749 1.00 0.00 H new ATOM 248 N LYS A 17 -16.392 1.702 8.972 1.00 0.00 N ATOM 249 CA LYS A 17 -15.410 2.309 9.888 1.00 0.00 C ATOM 250 C LYS A 17 -14.040 2.375 9.211 1.00 0.00 C ATOM 251 O LYS A 17 -13.561 1.376 8.664 1.00 0.00 O ATOM 252 CB LYS A 17 -15.319 1.522 11.196 1.00 0.00 C ATOM 253 CG LYS A 17 -14.451 2.175 12.264 1.00 0.00 C ATOM 254 CD LYS A 17 -14.388 1.323 13.522 1.00 0.00 C ATOM 255 CE LYS A 17 -13.527 1.978 14.593 1.00 0.00 C ATOM 256 NZ LYS A 17 -13.342 1.095 15.776 1.00 0.00 N ATOM 0 H LYS A 17 -16.224 0.711 8.800 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.741 3.320 10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.324 1.386 11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.924 0.529 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.444 2.327 11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.850 3.159 12.508 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.395 1.166 13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.984 0.341 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.553 2.229 14.172 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.989 2.914 14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.822 1.610 16.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.272 0.807 16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.803 0.250 15.498 1.00 0.00 H new ATOM 270 N THR A 18 -13.425 3.560 9.251 1.00 0.00 N ATOM 271 CA THR A 18 -12.190 3.843 8.524 1.00 0.00 C ATOM 272 C THR A 18 -10.994 3.885 9.503 1.00 0.00 C ATOM 273 O THR A 18 -11.030 4.588 10.520 1.00 0.00 O ATOM 274 CB THR A 18 -12.277 5.176 7.758 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.312 5.095 6.768 1.00 0.00 O ATOM 276 CG2 THR A 18 -10.954 5.488 7.077 1.00 0.00 C ATOM 0 H THR A 18 -13.773 4.352 9.792 1.00 0.00 H new ATOM 0 HA THR A 18 -12.043 3.043 7.799 1.00 0.00 H new ATOM 0 HB THR A 18 -12.505 5.971 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.096 4.387 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.035 6.434 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.167 5.563 7.828 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.710 4.692 6.374 1.00 0.00 H new ATOM 284 N TYR A 19 -9.951 3.112 9.179 1.00 0.00 N ATOM 285 CA TYR A 19 -8.654 3.136 9.861 1.00 0.00 C ATOM 286 C TYR A 19 -7.625 3.695 8.869 1.00 0.00 C ATOM 287 O TYR A 19 -7.408 3.110 7.799 1.00 0.00 O ATOM 288 CB TYR A 19 -8.269 1.701 10.314 1.00 0.00 C ATOM 289 CG TYR A 19 -9.250 1.063 11.317 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.480 0.537 10.897 1.00 0.00 C ATOM 291 CD2 TYR A 19 -8.942 0.974 12.679 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.358 -0.045 11.795 1.00 0.00 C ATOM 293 CE2 TYR A 19 -9.819 0.390 13.577 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.022 -0.119 13.130 1.00 0.00 C ATOM 295 OH TYR A 19 -11.892 -0.707 14.025 1.00 0.00 O ATOM 0 H TYR A 19 -9.988 2.436 8.416 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.690 3.762 10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.202 1.061 9.434 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.277 1.730 10.764 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.748 0.587 9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.002 1.368 13.037 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.303 -0.440 11.451 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.563 0.333 14.625 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.383 -1.111 14.759 1.00 0.00 H new ATOM 305 N GLU A 20 -7.018 4.841 9.202 1.00 0.00 N ATOM 306 CA GLU A 20 -6.042 5.506 8.321 1.00 0.00 C ATOM 307 C GLU A 20 -4.845 6.070 9.096 1.00 0.00 C ATOM 308 O GLU A 20 -4.996 6.560 10.222 1.00 0.00 O ATOM 309 CB GLU A 20 -6.721 6.627 7.531 1.00 0.00 C ATOM 310 CG GLU A 20 -7.306 7.737 8.393 1.00 0.00 C ATOM 311 CD GLU A 20 -7.997 8.775 7.551 1.00 0.00 C ATOM 312 OE1 GLU A 20 -8.070 8.593 6.360 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.549 9.692 8.111 1.00 0.00 O ATOM 0 H GLU A 20 -7.185 5.332 10.080 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.662 4.748 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.996 7.061 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.518 6.197 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.014 7.313 9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.512 8.206 8.974 1.00 0.00 H new ATOM 320 N ARG A 21 -3.659 5.982 8.469 1.00 0.00 N ATOM 321 CA ARG A 21 -2.392 6.493 9.024 1.00 0.00 C ATOM 322 C ARG A 21 -1.379 6.710 7.883 1.00 0.00 C ATOM 323 O ARG A 21 -1.339 5.927 6.924 1.00 0.00 O ATOM 324 CB ARG A 21 -1.831 5.602 10.122 1.00 0.00 C ATOM 325 CG ARG A 21 -0.619 6.165 10.847 1.00 0.00 C ATOM 326 CD ARG A 21 -0.154 5.343 11.993 1.00 0.00 C ATOM 327 NE ARG A 21 1.089 5.797 12.595 1.00 0.00 N ATOM 328 CZ ARG A 21 1.530 5.425 13.812 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.819 4.624 14.575 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.688 5.905 14.231 1.00 0.00 N ATOM 0 H ARG A 21 -3.551 5.549 7.552 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.594 7.451 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.617 5.412 10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.561 4.640 9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.199 6.269 10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.858 7.166 11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.931 5.335 12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.026 4.314 11.657 1.00 0.00 H new ATOM 0 HE ARG A 21 1.668 6.443 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.082 4.274 14.248 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.168 4.352 15.494 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.222 6.539 13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.048 5.641 15.148 1.00 0.00 H new ATOM 344 N THR A 22 -0.592 7.794 7.991 1.00 0.00 N ATOM 345 CA THR A 22 0.515 8.087 7.079 1.00 0.00 C ATOM 346 C THR A 22 1.832 7.581 7.706 1.00 0.00 C ATOM 347 O THR A 22 2.094 7.814 8.894 1.00 0.00 O ATOM 348 CB THR A 22 0.627 9.592 6.773 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.580 10.046 6.146 1.00 0.00 O ATOM 350 CG2 THR A 22 1.806 9.863 5.851 1.00 0.00 C ATOM 0 H THR A 22 -0.712 8.495 8.722 1.00 0.00 H new ATOM 0 HA THR A 22 0.322 7.576 6.136 1.00 0.00 H new ATOM 0 HB THR A 22 0.782 10.127 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.508 11.004 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.869 10.932 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.727 9.530 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.668 9.321 4.915 1.00 0.00 H new ATOM 358 N TYR A 23 2.627 6.853 6.911 1.00 0.00 N ATOM 359 CA TYR A 23 3.883 6.221 7.363 1.00 0.00 C ATOM 360 C TYR A 23 5.054 6.816 6.579 1.00 0.00 C ATOM 361 O TYR A 23 4.902 7.164 5.414 1.00 0.00 O ATOM 362 CB TYR A 23 3.832 4.683 7.146 1.00 0.00 C ATOM 363 CG TYR A 23 2.659 4.004 7.866 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.388 3.959 7.287 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.817 3.428 9.129 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.323 3.388 7.944 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.748 2.845 9.781 1.00 0.00 C ATOM 368 CZ TYR A 23 0.509 2.827 9.180 1.00 0.00 C ATOM 369 OH TYR A 23 -0.559 2.269 9.831 1.00 0.00 O ATOM 0 H TYR A 23 2.419 6.682 5.927 1.00 0.00 H new ATOM 0 HA TYR A 23 4.014 6.413 8.428 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.762 4.476 6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.766 4.243 7.495 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.239 4.381 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.788 3.439 9.602 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.656 3.382 7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.883 2.405 10.758 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.274 1.447 10.282 1.00 0.00 H new ATOM 379 N GLN A 24 6.216 6.912 7.219 1.00 0.00 N ATOM 380 CA GLN A 24 7.464 7.324 6.563 1.00 0.00 C ATOM 381 C GLN A 24 8.324 6.069 6.373 1.00 0.00 C ATOM 382 O GLN A 24 8.703 5.424 7.352 1.00 0.00 O ATOM 383 CB GLN A 24 8.215 8.371 7.391 1.00 0.00 C ATOM 384 CG GLN A 24 7.461 9.677 7.573 1.00 0.00 C ATOM 385 CD GLN A 24 8.287 10.725 8.296 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.500 10.575 8.460 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.631 11.793 8.737 1.00 0.00 N ATOM 0 H GLN A 24 6.324 6.706 8.212 1.00 0.00 H new ATOM 0 HA GLN A 24 7.240 7.787 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.436 7.952 8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.171 8.580 6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.165 10.061 6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.545 9.490 8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.627 11.876 8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.132 12.530 9.233 1.00 0.00 H new ATOM 396 N LEU A 25 8.594 5.712 5.109 1.00 0.00 N ATOM 397 CA LEU A 25 9.400 4.535 4.744 1.00 0.00 C ATOM 398 C LEU A 25 10.738 5.000 4.147 1.00 0.00 C ATOM 399 O LEU A 25 10.771 5.597 3.067 1.00 0.00 O ATOM 400 CB LEU A 25 8.643 3.643 3.752 1.00 0.00 C ATOM 401 CG LEU A 25 7.280 3.135 4.240 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.686 2.173 3.221 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.444 2.456 5.592 1.00 0.00 C ATOM 0 H LEU A 25 8.256 6.237 4.302 1.00 0.00 H new ATOM 0 HA LEU A 25 9.594 3.944 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.495 4.200 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.268 2.783 3.511 1.00 0.00 H new ATOM 0 HG LEU A 25 6.597 3.977 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.719 1.818 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.556 2.687 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.357 1.325 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.475 2.095 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.131 1.615 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.843 3.170 6.312 1.00 0.00 H new ATOM 415 N TYR A 26 11.830 4.776 4.894 1.00 0.00 N ATOM 416 CA TYR A 26 13.190 5.118 4.456 1.00 0.00 C ATOM 417 C TYR A 26 14.032 3.837 4.337 1.00 0.00 C ATOM 418 O TYR A 26 14.251 3.147 5.336 1.00 0.00 O ATOM 419 CB TYR A 26 13.846 6.101 5.430 1.00 0.00 C ATOM 420 CG TYR A 26 15.176 6.640 4.953 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.240 7.593 3.947 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.365 6.196 5.513 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.453 8.089 3.508 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.583 6.685 5.083 1.00 0.00 C ATOM 425 CZ TYR A 26 17.623 7.631 4.079 1.00 0.00 C ATOM 426 OH TYR A 26 18.833 8.122 3.647 1.00 0.00 O ATOM 0 H TYR A 26 11.794 4.352 5.821 1.00 0.00 H new ATOM 0 HA TYR A 26 13.133 5.601 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.167 6.936 5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.989 5.605 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.326 7.954 3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.338 5.455 6.299 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.485 8.830 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.499 6.329 5.530 1.00 0.00 H new ATOM 0 HH TYR A 26 19.558 7.697 4.152 1.00 0.00 H new ATOM 436 N ALA A 27 14.490 3.531 3.118 1.00 0.00 N ATOM 437 CA ALA A 27 15.076 2.230 2.768 1.00 0.00 C ATOM 438 C ALA A 27 16.302 2.444 1.892 1.00 0.00 C ATOM 439 O ALA A 27 16.419 3.476 1.224 1.00 0.00 O ATOM 440 CB ALA A 27 14.050 1.359 2.037 1.00 0.00 C ATOM 0 H ALA A 27 14.464 4.187 2.337 1.00 0.00 H new ATOM 0 HA ALA A 27 15.372 1.716 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.501 0.399 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.186 1.196 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.732 1.861 1.123 1.00 0.00 H new ATOM 446 N VAL A 28 17.210 1.463 1.907 1.00 0.00 N ATOM 447 CA VAL A 28 18.410 1.472 1.060 1.00 0.00 C ATOM 448 C VAL A 28 18.065 0.814 -0.292 1.00 0.00 C ATOM 449 O VAL A 28 18.250 1.405 -1.359 1.00 0.00 O ATOM 450 CB VAL A 28 19.590 0.731 1.717 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.803 0.741 0.798 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.935 1.361 3.058 1.00 0.00 C ATOM 0 H VAL A 28 17.135 0.640 2.506 1.00 0.00 H new ATOM 0 HA VAL A 28 18.721 2.507 0.916 1.00 0.00 H new ATOM 0 HB VAL A 28 19.294 -0.304 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.627 0.213 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.553 0.246 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.099 1.771 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.771 0.825 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.212 2.405 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.070 1.306 3.719 1.00 0.00 H new ATOM 462 N ARG A 29 17.507 -0.406 -0.217 1.00 0.00 N ATOM 463 CA ARG A 29 17.128 -1.196 -1.401 1.00 0.00 C ATOM 464 C ARG A 29 15.612 -1.128 -1.655 1.00 0.00 C ATOM 465 O ARG A 29 14.815 -0.895 -0.735 1.00 0.00 O ATOM 466 CB ARG A 29 17.613 -2.636 -1.310 1.00 0.00 C ATOM 467 CG ARG A 29 19.123 -2.805 -1.351 1.00 0.00 C ATOM 468 CD ARG A 29 19.603 -4.135 -0.895 1.00 0.00 C ATOM 469 NE ARG A 29 19.378 -4.405 0.516 1.00 0.00 N ATOM 470 CZ ARG A 29 19.524 -5.612 1.096 1.00 0.00 C ATOM 471 NH1 ARG A 29 19.856 -6.669 0.388 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.299 -5.712 2.395 1.00 0.00 N ATOM 0 H ARG A 29 17.306 -0.873 0.667 1.00 0.00 H new ATOM 0 HA ARG A 29 17.630 -0.748 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.238 -3.073 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.176 -3.204 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.468 -2.638 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.580 -2.035 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.108 -4.907 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.671 -4.212 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 29 19.089 -3.626 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.007 -6.583 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.962 -7.575 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.023 -4.888 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.401 -6.613 2.862 1.00 0.00 H new ATOM 486 N ASP A 30 15.255 -1.364 -2.927 1.00 0.00 N ATOM 487 CA ASP A 30 13.865 -1.462 -3.424 1.00 0.00 C ATOM 488 C ASP A 30 13.128 -2.612 -2.709 1.00 0.00 C ATOM 489 O ASP A 30 11.948 -2.514 -2.358 1.00 0.00 O ATOM 490 CB ASP A 30 13.840 -1.676 -4.939 1.00 0.00 C ATOM 491 CG ASP A 30 14.222 -0.448 -5.755 1.00 0.00 C ATOM 492 OD1 ASP A 30 14.283 0.619 -5.191 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.602 -0.608 -6.890 1.00 0.00 O ATOM 0 H ASP A 30 15.945 -1.497 -3.666 1.00 0.00 H new ATOM 0 HA ASP A 30 13.355 -0.524 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.520 -2.490 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.840 -1.995 -5.232 1.00 0.00 H new ATOM 498 N GLU A 31 13.884 -3.708 -2.524 1.00 0.00 N ATOM 499 CA GLU A 31 13.451 -4.929 -1.809 1.00 0.00 C ATOM 500 C GLU A 31 13.142 -4.643 -0.321 1.00 0.00 C ATOM 501 O GLU A 31 12.182 -5.179 0.235 1.00 0.00 O ATOM 502 CB GLU A 31 14.520 -6.018 -1.920 1.00 0.00 C ATOM 503 CG GLU A 31 14.557 -6.728 -3.266 1.00 0.00 C ATOM 504 CD GLU A 31 13.280 -7.479 -3.522 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.879 -8.238 -2.673 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.646 -7.211 -4.515 1.00 0.00 O ATOM 0 H GLU A 31 14.839 -3.774 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 31 12.532 -5.276 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.497 -5.572 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.351 -6.758 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.718 -5.999 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.399 -7.419 -3.292 1.00 0.00 H new ATOM 513 N GLU A 32 13.936 -3.750 0.290 1.00 0.00 N ATOM 514 CA GLU A 32 13.748 -3.317 1.685 1.00 0.00 C ATOM 515 C GLU A 32 12.475 -2.477 1.850 1.00 0.00 C ATOM 516 O GLU A 32 11.733 -2.647 2.826 1.00 0.00 O ATOM 517 CB GLU A 32 14.964 -2.520 2.165 1.00 0.00 C ATOM 518 CG GLU A 32 16.228 -3.348 2.341 1.00 0.00 C ATOM 519 CD GLU A 32 17.426 -2.472 2.583 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.277 -1.274 2.556 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.465 -2.997 2.907 1.00 0.00 O ATOM 0 H GLU A 32 14.730 -3.306 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 32 13.641 -4.214 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.164 -1.721 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.720 -2.045 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.102 -4.035 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.393 -3.956 1.452 1.00 0.00 H new ATOM 528 N LEU A 33 12.229 -1.576 0.885 1.00 0.00 N ATOM 529 CA LEU A 33 11.011 -0.752 0.851 1.00 0.00 C ATOM 530 C LEU A 33 9.763 -1.656 0.664 1.00 0.00 C ATOM 531 O LEU A 33 8.742 -1.426 1.319 1.00 0.00 O ATOM 532 CB LEU A 33 11.114 0.340 -0.274 1.00 0.00 C ATOM 533 CG LEU A 33 10.270 1.656 -0.066 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.758 1.386 0.103 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.806 2.491 1.119 1.00 0.00 C ATOM 0 H LEU A 33 12.867 -1.399 0.109 1.00 0.00 H new ATOM 0 HA LEU A 33 10.906 -0.229 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.162 0.621 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.809 -0.114 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 33 10.389 2.234 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.233 2.331 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.376 0.886 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.597 0.750 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.201 3.390 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.754 1.900 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.841 2.772 0.927 1.00 0.00 H new ATOM 547 N LYS A 34 9.881 -2.700 -0.203 1.00 0.00 N ATOM 548 CA LYS A 34 8.779 -3.662 -0.481 1.00 0.00 C ATOM 549 C LYS A 34 8.292 -4.385 0.791 1.00 0.00 C ATOM 550 O LYS A 34 7.087 -4.438 1.049 1.00 0.00 O ATOM 551 CB LYS A 34 9.223 -4.695 -1.518 1.00 0.00 C ATOM 552 CG LYS A 34 9.188 -4.196 -2.957 1.00 0.00 C ATOM 553 CD LYS A 34 9.859 -5.182 -3.901 1.00 0.00 C ATOM 554 CE LYS A 34 9.216 -6.558 -3.815 1.00 0.00 C ATOM 555 NZ LYS A 34 9.799 -7.508 -4.800 1.00 0.00 N ATOM 0 H LYS A 34 10.735 -2.896 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 34 7.944 -3.080 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.238 -5.016 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.583 -5.574 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.154 -4.041 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.688 -3.230 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.793 -4.811 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.919 -5.258 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.344 -6.956 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.144 -6.469 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.541 -8.481 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.429 -7.295 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.835 -7.413 -4.803 1.00 0.00 H new ATOM 569 N GLU A 35 9.254 -4.934 1.564 1.00 0.00 N ATOM 570 CA GLU A 35 8.973 -5.637 2.832 1.00 0.00 C ATOM 571 C GLU A 35 8.487 -4.674 3.935 1.00 0.00 C ATOM 572 O GLU A 35 7.715 -5.073 4.811 1.00 0.00 O ATOM 573 CB GLU A 35 10.218 -6.388 3.308 1.00 0.00 C ATOM 574 CG GLU A 35 11.402 -5.492 3.645 1.00 0.00 C ATOM 575 CD GLU A 35 12.558 -6.292 4.177 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.447 -7.493 4.238 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.592 -5.716 4.418 1.00 0.00 O ATOM 0 H GLU A 35 10.245 -4.902 1.326 1.00 0.00 H new ATOM 0 HA GLU A 35 8.170 -6.347 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.959 -6.974 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.520 -7.093 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.714 -4.947 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.100 -4.749 4.384 1.00 0.00 H new ATOM 584 N LYS A 36 8.897 -3.394 3.826 1.00 0.00 N ATOM 585 CA LYS A 36 8.411 -2.308 4.703 1.00 0.00 C ATOM 586 C LYS A 36 6.922 -2.033 4.432 1.00 0.00 C ATOM 587 O LYS A 36 6.136 -1.877 5.366 1.00 0.00 O ATOM 588 CB LYS A 36 9.231 -1.033 4.497 1.00 0.00 C ATOM 589 CG LYS A 36 10.595 -1.047 5.175 1.00 0.00 C ATOM 590 CD LYS A 36 11.392 0.205 4.840 1.00 0.00 C ATOM 591 CE LYS A 36 12.830 0.093 5.324 1.00 0.00 C ATOM 592 NZ LYS A 36 12.916 0.049 6.809 1.00 0.00 N ATOM 0 H LYS A 36 9.574 -3.084 3.129 1.00 0.00 H new ATOM 0 HA LYS A 36 8.529 -2.626 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.372 -0.875 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.660 -0.184 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.466 -1.120 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.151 -1.930 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.381 0.368 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.919 1.073 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.284 -0.806 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.405 0.941 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.913 -0.010 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.491 0.911 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.404 -0.784 7.162 1.00 0.00 H new ATOM 606 N LEU A 37 6.569 -1.999 3.128 1.00 0.00 N ATOM 607 CA LEU A 37 5.178 -1.860 2.648 1.00 0.00 C ATOM 608 C LEU A 37 4.309 -3.024 3.147 1.00 0.00 C ATOM 609 O LEU A 37 3.177 -2.811 3.570 1.00 0.00 O ATOM 610 CB LEU A 37 5.146 -1.787 1.116 1.00 0.00 C ATOM 611 CG LEU A 37 5.662 -0.475 0.513 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.907 -0.646 -0.980 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.653 0.635 0.770 1.00 0.00 C ATOM 0 H LEU A 37 7.250 -2.068 2.372 1.00 0.00 H new ATOM 0 HA LEU A 37 4.769 -0.933 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.739 -2.610 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.120 -1.943 0.782 1.00 0.00 H new ATOM 0 HG LEU A 37 6.607 -0.206 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.273 0.292 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.649 -1.429 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.975 -0.923 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.021 1.567 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.700 0.374 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.515 0.759 1.844 1.00 0.00 H new ATOM 625 N LYS A 38 4.881 -4.248 3.111 1.00 0.00 N ATOM 626 CA LYS A 38 4.246 -5.474 3.633 1.00 0.00 C ATOM 627 C LYS A 38 3.942 -5.348 5.133 1.00 0.00 C ATOM 628 O LYS A 38 2.855 -5.722 5.577 1.00 0.00 O ATOM 629 CB LYS A 38 5.138 -6.690 3.379 1.00 0.00 C ATOM 630 CG LYS A 38 5.255 -7.090 1.915 1.00 0.00 C ATOM 631 CD LYS A 38 6.180 -8.286 1.740 1.00 0.00 C ATOM 632 CE LYS A 38 6.435 -8.579 0.268 1.00 0.00 C ATOM 633 NZ LYS A 38 7.378 -9.714 0.082 1.00 0.00 N ATOM 0 H LYS A 38 5.806 -4.412 2.714 1.00 0.00 H new ATOM 0 HA LYS A 38 3.303 -5.610 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.135 -6.481 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.747 -7.536 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.267 -7.331 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.632 -6.248 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.127 -8.092 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.739 -9.162 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.490 -8.808 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.839 -7.689 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.525 -9.881 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.288 -9.486 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.981 -10.570 0.520 1.00 0.00 H new ATOM 647 N LYS A 39 4.921 -4.823 5.904 1.00 0.00 N ATOM 648 CA LYS A 39 4.769 -4.655 7.360 1.00 0.00 C ATOM 649 C LYS A 39 3.652 -3.645 7.682 1.00 0.00 C ATOM 650 O LYS A 39 2.812 -3.914 8.536 1.00 0.00 O ATOM 651 CB LYS A 39 6.087 -4.204 7.990 1.00 0.00 C ATOM 652 CG LYS A 39 7.163 -5.280 8.038 1.00 0.00 C ATOM 653 CD LYS A 39 8.453 -4.748 8.644 1.00 0.00 C ATOM 654 CE LYS A 39 9.542 -5.810 8.651 1.00 0.00 C ATOM 655 NZ LYS A 39 10.811 -5.302 9.240 1.00 0.00 N ATOM 0 H LYS A 39 5.821 -4.510 5.540 1.00 0.00 H new ATOM 0 HA LYS A 39 4.492 -5.621 7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.469 -3.350 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.891 -3.858 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.806 -6.127 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.357 -5.648 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.792 -3.881 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.266 -4.410 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.200 -6.676 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.725 -6.148 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.527 -6.056 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.151 -4.491 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.643 -5.003 10.222 1.00 0.00 H new ATOM 669 N VAL A 40 3.639 -2.514 6.946 1.00 0.00 N ATOM 670 CA VAL A 40 2.609 -1.457 7.064 1.00 0.00 C ATOM 671 C VAL A 40 1.198 -1.992 6.708 1.00 0.00 C ATOM 672 O VAL A 40 0.224 -1.741 7.438 1.00 0.00 O ATOM 673 CB VAL A 40 2.934 -0.254 6.159 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.746 0.693 6.085 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.167 0.478 6.667 1.00 0.00 C ATOM 0 H VAL A 40 4.350 -2.305 6.245 1.00 0.00 H new ATOM 0 HA VAL A 40 2.613 -1.134 8.105 1.00 0.00 H new ATOM 0 HB VAL A 40 3.143 -0.625 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.993 1.537 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.885 0.165 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.508 1.056 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.382 1.325 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.986 0.837 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.019 -0.202 6.670 1.00 0.00 H new ATOM 685 N LEU A 41 1.113 -2.755 5.597 1.00 0.00 N ATOM 686 CA LEU A 41 -0.151 -3.355 5.132 1.00 0.00 C ATOM 687 C LEU A 41 -0.672 -4.367 6.166 1.00 0.00 C ATOM 688 O LEU A 41 -1.839 -4.318 6.521 1.00 0.00 O ATOM 689 CB LEU A 41 0.044 -4.029 3.768 1.00 0.00 C ATOM 690 CG LEU A 41 0.204 -3.070 2.582 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.609 -3.844 1.335 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.101 -2.322 2.353 1.00 0.00 C ATOM 0 H LEU A 41 1.914 -2.970 5.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.891 -2.563 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.926 -4.668 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.810 -4.679 3.576 1.00 0.00 H new ATOM 0 HG LEU A 41 0.989 -2.346 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.720 -3.154 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.556 -4.353 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.159 -4.580 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.987 -1.641 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.896 -3.036 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.356 -1.753 3.247 1.00 0.00 H new ATOM 704 N ASN A 42 0.226 -5.230 6.690 1.00 0.00 N ATOM 705 CA ASN A 42 -0.113 -6.204 7.761 1.00 0.00 C ATOM 706 C ASN A 42 -0.557 -5.495 9.057 1.00 0.00 C ATOM 707 O ASN A 42 -1.495 -5.945 9.719 1.00 0.00 O ATOM 708 CB ASN A 42 1.051 -7.134 8.053 1.00 0.00 C ATOM 709 CG ASN A 42 1.280 -8.169 6.986 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.387 -8.477 6.189 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.445 -8.764 7.019 1.00 0.00 N ATOM 0 H ASN A 42 1.199 -5.275 6.388 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.949 -6.798 7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.958 -6.541 8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.873 -7.638 9.003 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.650 -9.521 6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.148 -8.471 7.697 1.00 0.00 H new ATOM 718 N GLU A 43 0.110 -4.377 9.386 1.00 0.00 N ATOM 719 CA GLU A 43 -0.190 -3.583 10.587 1.00 0.00 C ATOM 720 C GLU A 43 -1.623 -3.039 10.535 1.00 0.00 C ATOM 721 O GLU A 43 -2.343 -3.087 11.533 1.00 0.00 O ATOM 722 CB GLU A 43 0.806 -2.432 10.737 1.00 0.00 C ATOM 723 CG GLU A 43 0.774 -1.744 12.094 1.00 0.00 C ATOM 724 CD GLU A 43 -0.280 -0.673 12.139 1.00 0.00 C ATOM 725 OE1 GLU A 43 -0.380 0.075 11.197 1.00 0.00 O ATOM 726 OE2 GLU A 43 -1.059 -0.672 13.064 1.00 0.00 O ATOM 0 H GLU A 43 0.873 -3.998 8.825 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.099 -4.237 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.812 -2.813 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.605 -1.691 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.580 -2.481 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.750 -1.306 12.305 1.00 0.00 H new ATOM 733 N ARG A 44 -2.032 -2.549 9.351 1.00 0.00 N ATOM 734 CA ARG A 44 -3.389 -2.014 9.138 1.00 0.00 C ATOM 735 C ARG A 44 -4.441 -3.137 9.063 1.00 0.00 C ATOM 736 O ARG A 44 -5.625 -2.902 9.316 1.00 0.00 O ATOM 737 CB ARG A 44 -3.459 -1.108 7.918 1.00 0.00 C ATOM 738 CG ARG A 44 -2.680 0.191 8.041 1.00 0.00 C ATOM 739 CD ARG A 44 -3.284 1.183 8.967 1.00 0.00 C ATOM 740 NE ARG A 44 -2.936 0.990 10.366 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.586 1.557 11.401 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.591 2.381 11.200 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.171 1.283 12.625 1.00 0.00 N ATOM 0 H ARG A 44 -1.438 -2.513 8.523 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.625 -1.402 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.087 -1.658 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.504 -0.871 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.669 -0.036 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.591 0.642 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.973 2.182 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.369 1.142 8.866 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.144 0.383 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.889 2.599 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.072 2.802 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.378 0.657 12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.643 1.697 13.428 1.00 0.00 H new ATOM 757 N MET A 45 -3.988 -4.359 8.738 1.00 0.00 N ATOM 758 CA MET A 45 -4.854 -5.540 8.606 1.00 0.00 C ATOM 759 C MET A 45 -4.919 -6.356 9.909 1.00 0.00 C ATOM 760 O MET A 45 -5.807 -7.188 10.050 1.00 0.00 O ATOM 761 CB MET A 45 -4.362 -6.421 7.460 1.00 0.00 C ATOM 762 CG MET A 45 -4.558 -5.820 6.075 1.00 0.00 C ATOM 763 SD MET A 45 -6.291 -5.488 5.699 1.00 0.00 S ATOM 764 CE MET A 45 -6.940 -7.154 5.597 1.00 0.00 C ATOM 0 H MET A 45 -3.003 -4.555 8.558 1.00 0.00 H new ATOM 0 HA MET A 45 -5.862 -5.187 8.390 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.302 -6.628 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.882 -7.378 7.504 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.991 -4.892 6.002 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.152 -6.501 5.327 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.926 -7.133 5.132 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.270 -7.770 4.997 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.020 -7.575 6.599 1.00 0.00 H new ATOM 774 N ASP A 46 -3.985 -6.098 10.850 1.00 0.00 N ATOM 775 CA ASP A 46 -3.935 -6.807 12.154 1.00 0.00 C ATOM 776 C ASP A 46 -5.282 -6.730 12.943 1.00 0.00 C ATOM 777 O ASP A 46 -5.861 -7.787 13.239 1.00 0.00 O ATOM 778 CB ASP A 46 -2.800 -6.240 13.010 1.00 0.00 C ATOM 779 CG ASP A 46 -1.417 -6.762 12.645 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.338 -7.712 11.903 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.453 -6.116 12.980 1.00 0.00 O ATOM 0 H ASP A 46 -3.250 -5.400 10.733 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.754 -7.860 11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.801 -5.154 12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.999 -6.473 14.056 1.00 0.00 H new ATOM 786 N PRO A 47 -5.849 -5.504 13.245 1.00 0.00 N ATOM 787 CA PRO A 47 -7.157 -5.397 13.956 1.00 0.00 C ATOM 788 C PRO A 47 -8.343 -5.793 13.040 1.00 0.00 C ATOM 789 O PRO A 47 -9.417 -6.140 13.527 1.00 0.00 O ATOM 790 CB PRO A 47 -7.232 -3.928 14.383 1.00 0.00 C ATOM 791 CG PRO A 47 -6.415 -3.204 13.368 1.00 0.00 C ATOM 792 CD PRO A 47 -5.269 -4.126 13.047 1.00 0.00 C ATOM 0 HA PRO A 47 -7.224 -6.077 14.805 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.261 -3.569 14.394 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.835 -3.786 15.388 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.002 -2.982 12.477 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.056 -2.252 13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.915 -3.984 12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.419 -3.952 13.706 1.00 0.00 H new ATOM 800 N ILE A 48 -8.092 -5.797 11.715 1.00 0.00 N ATOM 801 CA ILE A 48 -9.117 -6.044 10.680 1.00 0.00 C ATOM 802 C ILE A 48 -9.390 -7.564 10.519 1.00 0.00 C ATOM 803 O ILE A 48 -10.519 -7.978 10.203 1.00 0.00 O ATOM 804 CB ILE A 48 -8.699 -5.456 9.320 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.487 -3.944 9.434 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.743 -5.772 8.260 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.713 -3.190 9.897 1.00 0.00 C ATOM 0 H ILE A 48 -7.163 -5.627 11.330 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.029 -5.547 11.011 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.756 -5.914 9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.670 -3.752 10.129 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.178 -3.556 8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.431 -5.349 7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.846 -6.853 8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.701 -5.341 8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.486 -2.125 9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.527 -3.350 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.011 -3.550 10.882 1.00 0.00 H new ATOM 819 N LYS A 49 -8.356 -8.385 10.781 1.00 0.00 N ATOM 820 CA LYS A 49 -8.463 -9.858 10.763 1.00 0.00 C ATOM 821 C LYS A 49 -9.193 -10.341 12.031 1.00 0.00 C ATOM 822 O LYS A 49 -9.942 -11.323 12.001 1.00 0.00 O ATOM 823 CB LYS A 49 -7.081 -10.505 10.662 1.00 0.00 C ATOM 824 CG LYS A 49 -6.414 -10.355 9.302 1.00 0.00 C ATOM 825 CD LYS A 49 -5.063 -11.054 9.267 1.00 0.00 C ATOM 826 CE LYS A 49 -4.397 -10.906 7.907 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.088 -11.612 7.849 1.00 0.00 N ATOM 0 H LYS A 49 -7.422 -8.047 11.011 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.036 -10.156 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.432 -10.068 11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.172 -11.566 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.061 -10.771 8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.284 -9.297 9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.416 -10.637 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.193 -12.111 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.057 -11.301 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.249 -9.848 7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.667 -11.487 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.449 -11.218 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.232 -12.626 8.032 1.00 0.00 H new ATOM 841 N LYS A 50 -8.961 -9.617 13.139 1.00 0.00 N ATOM 842 CA LYS A 50 -9.687 -9.801 14.407 1.00 0.00 C ATOM 843 C LYS A 50 -11.188 -9.465 14.237 1.00 0.00 C ATOM 844 O LYS A 50 -12.024 -9.955 14.998 1.00 0.00 O ATOM 845 CB LYS A 50 -9.069 -8.935 15.506 1.00 0.00 C ATOM 846 CG LYS A 50 -7.639 -9.308 15.872 1.00 0.00 C ATOM 847 CD LYS A 50 -7.083 -8.385 16.946 1.00 0.00 C ATOM 848 CE LYS A 50 -5.601 -8.638 17.182 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.043 -7.738 18.227 1.00 0.00 N ATOM 0 H LYS A 50 -8.257 -8.880 13.180 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.603 -10.848 14.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.089 -7.893 15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.690 -9.005 16.399 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.609 -10.339 16.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.009 -9.257 14.984 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.234 -7.347 16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.632 -8.534 17.876 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.453 -9.676 17.480 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.055 -8.494 16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.032 -7.943 18.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.161 -6.748 17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.546 -7.894 19.124 1.00 0.00 H new ATOM 863 N LEU A 51 -11.507 -8.646 13.209 1.00 0.00 N ATOM 864 CA LEU A 51 -12.900 -8.250 12.907 1.00 0.00 C ATOM 865 C LEU A 51 -13.510 -9.253 11.908 1.00 0.00 C ATOM 866 O LEU A 51 -14.726 -9.458 11.892 1.00 0.00 O ATOM 867 CB LEU A 51 -12.952 -6.823 12.347 1.00 0.00 C ATOM 868 CG LEU A 51 -12.508 -5.724 13.320 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.467 -4.380 12.605 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.463 -5.676 14.503 1.00 0.00 C ATOM 0 H LEU A 51 -10.816 -8.246 12.574 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.483 -8.264 13.828 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.323 -6.775 11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.972 -6.612 12.027 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.506 -5.946 13.687 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.151 -3.606 13.304 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.762 -4.430 11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.459 -4.141 12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.147 -4.895 15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.471 -5.461 14.148 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.456 -6.638 15.015 1.00 0.00 H new ATOM 882 N GLY A 52 -12.633 -9.861 11.078 1.00 0.00 N ATOM 883 CA GLY A 52 -13.040 -10.873 10.108 1.00 0.00 C ATOM 884 C GLY A 52 -13.858 -10.280 8.978 1.00 0.00 C ATOM 885 O GLY A 52 -14.837 -10.878 8.525 1.00 0.00 O ATOM 0 H GLY A 52 -11.633 -9.658 11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.155 -11.359 9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.623 -11.644 10.612 1.00 0.00 H new ATOM 889 N CYS A 53 -13.475 -9.075 8.553 1.00 0.00 N ATOM 890 CA CYS A 53 -14.296 -8.242 7.670 1.00 0.00 C ATOM 891 C CYS A 53 -14.602 -8.991 6.355 1.00 0.00 C ATOM 892 O CYS A 53 -13.681 -9.455 5.672 1.00 0.00 O ATOM 893 CB CYS A 53 -13.560 -6.924 7.392 1.00 0.00 C ATOM 894 SG CYS A 53 -13.239 -5.948 8.891 1.00 0.00 S ATOM 0 H CYS A 53 -12.586 -8.648 8.811 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.247 -8.022 8.156 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.612 -7.142 6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -14.150 -6.326 6.697 1.00 0.00 H new ATOM 899 N LYS A 54 -15.902 -9.118 6.025 1.00 0.00 N ATOM 900 CA LYS A 54 -16.380 -9.856 4.834 1.00 0.00 C ATOM 901 C LYS A 54 -15.800 -9.245 3.540 1.00 0.00 C ATOM 902 O LYS A 54 -15.519 -9.958 2.571 1.00 0.00 O ATOM 903 CB LYS A 54 -17.908 -9.858 4.778 1.00 0.00 C ATOM 904 CG LYS A 54 -18.493 -10.582 3.573 1.00 0.00 C ATOM 905 CD LYS A 54 -20.011 -10.648 3.649 1.00 0.00 C ATOM 906 CE LYS A 54 -20.594 -11.395 2.458 1.00 0.00 C ATOM 907 NZ LYS A 54 -22.078 -11.478 2.526 1.00 0.00 N ATOM 0 H LYS A 54 -16.656 -8.710 6.578 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.033 -10.886 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.292 -10.322 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.260 -8.827 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.195 -10.069 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.085 -11.592 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.309 -11.143 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -20.420 -9.638 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.301 -10.893 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -20.176 -12.401 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -22.435 -11.994 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.358 -11.979 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.479 -10.519 2.536 1.00 0.00 H new ATOM 921 N ARG A 55 -15.614 -7.918 3.563 1.00 0.00 N ATOM 922 CA ARG A 55 -15.056 -7.145 2.448 1.00 0.00 C ATOM 923 C ARG A 55 -14.453 -5.841 2.997 1.00 0.00 C ATOM 924 O ARG A 55 -15.051 -5.197 3.866 1.00 0.00 O ATOM 925 CB ARG A 55 -16.070 -6.888 1.343 1.00 0.00 C ATOM 926 CG ARG A 55 -15.509 -6.202 0.108 1.00 0.00 C ATOM 927 CD ARG A 55 -16.501 -5.985 -0.976 1.00 0.00 C ATOM 928 NE ARG A 55 -16.077 -5.047 -2.002 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.683 -4.893 -3.196 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.713 -5.637 -3.533 1.00 0.00 N ATOM 931 NH2 ARG A 55 -16.199 -3.989 -4.030 1.00 0.00 N ATOM 0 H ARG A 55 -15.852 -7.343 4.371 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.269 -7.734 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.509 -7.840 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.877 -6.276 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.092 -5.238 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.686 -6.800 -0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.722 -6.943 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.430 -5.625 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.264 -4.464 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.065 -6.344 -2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.160 -5.508 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.388 -3.431 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.636 -3.850 -4.941 1.00 0.00 H new ATOM 945 N VAL A 56 -13.258 -5.483 2.511 1.00 0.00 N ATOM 946 CA VAL A 56 -12.579 -4.226 2.876 1.00 0.00 C ATOM 947 C VAL A 56 -12.035 -3.553 1.618 1.00 0.00 C ATOM 948 O VAL A 56 -11.761 -4.220 0.607 1.00 0.00 O ATOM 949 CB VAL A 56 -11.425 -4.457 3.870 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.945 -5.093 5.151 1.00 0.00 C ATOM 951 CG2 VAL A 56 -10.348 -5.329 3.243 1.00 0.00 C ATOM 0 H VAL A 56 -12.731 -6.056 1.852 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.315 -3.585 3.362 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.985 -3.491 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.117 -5.249 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.682 -4.435 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.409 -6.051 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.541 -5.482 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.775 -6.293 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.955 -4.838 2.353 1.00 0.00 H new ATOM 961 N ARG A 57 -11.933 -2.220 1.676 1.00 0.00 N ATOM 962 CA ARG A 57 -11.336 -1.412 0.617 1.00 0.00 C ATOM 963 C ARG A 57 -10.179 -0.597 1.208 1.00 0.00 C ATOM 964 O ARG A 57 -10.339 0.088 2.224 1.00 0.00 O ATOM 965 CB ARG A 57 -12.353 -0.535 -0.098 1.00 0.00 C ATOM 966 CG ARG A 57 -11.773 0.370 -1.174 1.00 0.00 C ATOM 967 CD ARG A 57 -12.781 1.191 -1.893 1.00 0.00 C ATOM 968 NE ARG A 57 -13.676 0.430 -2.750 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.788 0.926 -3.327 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.167 2.166 -3.111 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.503 0.124 -4.096 1.00 0.00 N ATOM 0 H ARG A 57 -12.267 -1.671 2.468 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.948 -2.078 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.109 -1.176 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.861 0.084 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.040 1.035 -0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.238 -0.244 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.376 1.737 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.262 1.933 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.446 -0.548 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.617 2.768 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.011 2.526 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.208 -0.842 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.350 0.471 -4.546 1.00 0.00 H new ATOM 985 N ILE A 58 -9.010 -0.726 0.574 1.00 0.00 N ATOM 986 CA ILE A 58 -7.759 -0.089 0.985 1.00 0.00 C ATOM 987 C ILE A 58 -7.355 0.901 -0.124 1.00 0.00 C ATOM 988 O ILE A 58 -7.284 0.517 -1.284 1.00 0.00 O ATOM 989 CB ILE A 58 -6.632 -1.110 1.225 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.033 -2.101 2.320 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.339 -0.399 1.594 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.097 -3.281 2.449 1.00 0.00 C ATOM 0 H ILE A 58 -8.907 -1.295 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.915 0.423 1.934 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.466 -1.666 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.074 -1.576 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.039 -2.468 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.553 -1.136 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.046 0.267 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.490 0.182 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.447 -3.938 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.074 -3.831 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.094 -2.926 2.687 1.00 0.00 H new ATOM 1004 N SER A 59 -7.120 2.159 0.228 1.00 0.00 N ATOM 1005 CA SER A 59 -6.580 3.169 -0.687 1.00 0.00 C ATOM 1006 C SER A 59 -5.212 3.592 -0.149 1.00 0.00 C ATOM 1007 O SER A 59 -5.082 3.892 1.032 1.00 0.00 O ATOM 1008 CB SER A 59 -7.516 4.356 -0.808 1.00 0.00 C ATOM 1009 OG SER A 59 -8.686 4.036 -1.509 1.00 0.00 O ATOM 0 H SER A 59 -7.300 2.515 1.167 1.00 0.00 H new ATOM 0 HA SER A 59 -6.478 2.755 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.777 4.714 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.002 5.172 -1.315 1.00 0.00 H new ATOM 0 HG SER A 59 -8.463 3.826 -2.440 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.192 3.549 -1.012 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.800 3.838 -0.643 1.00 0.00 C ATOM 1017 C ILE A 60 -2.290 5.002 -1.500 1.00 0.00 C ATOM 1018 O ILE A 60 -2.311 4.926 -2.731 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.883 2.615 -0.830 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.397 1.431 -0.006 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.454 2.958 -0.440 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.760 0.110 -0.372 1.00 0.00 C ATOM 0 H ILE A 60 -4.309 3.310 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.778 4.101 0.415 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.893 2.332 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.217 1.630 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.476 1.351 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.181 2.083 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.091 3.772 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.426 3.265 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.175 -0.680 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.962 -0.114 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.683 0.169 -0.215 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.866 6.081 -0.833 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.369 7.296 -1.482 1.00 0.00 C ATOM 1036 C ARG A 61 0.148 7.406 -1.213 1.00 0.00 C ATOM 1037 O ARG A 61 0.595 7.278 -0.070 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.127 8.544 -1.058 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.814 9.790 -1.871 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.622 10.981 -1.502 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.454 12.121 -2.389 1.00 0.00 N ATOM 1042 CZ ARG A 61 -3.012 13.332 -2.192 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.803 13.554 -1.167 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.762 14.285 -3.073 1.00 0.00 N ATOM 0 H ARG A 61 -1.859 6.134 0.186 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.542 7.221 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.196 8.343 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.907 8.747 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.758 10.031 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.974 9.570 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.675 10.700 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.359 11.283 -0.488 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.873 11.995 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.003 12.804 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.217 14.476 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.161 14.094 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.170 15.212 -2.951 1.00 0.00 H new ATOM 1058 N VAL A 62 0.912 7.632 -2.282 1.00 0.00 N ATOM 1059 CA VAL A 62 2.375 7.706 -2.255 1.00 0.00 C ATOM 1060 C VAL A 62 2.836 9.143 -2.539 1.00 0.00 C ATOM 1061 O VAL A 62 2.291 9.819 -3.417 1.00 0.00 O ATOM 1062 CB VAL A 62 3.014 6.751 -3.281 1.00 0.00 C ATOM 1063 CG1 VAL A 62 4.473 7.117 -3.512 1.00 0.00 C ATOM 1064 CG2 VAL A 62 2.897 5.309 -2.812 1.00 0.00 C ATOM 0 H VAL A 62 0.522 7.772 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 62 2.700 7.402 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 62 2.478 6.852 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.909 6.432 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.537 8.137 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.020 7.044 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.354 4.648 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.408 5.195 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.845 5.049 -2.694 1.00 0.00 H new ATOM 1074 N LYS A 63 3.826 9.605 -1.755 1.00 0.00 N ATOM 1075 CA LYS A 63 4.403 10.947 -1.887 1.00 0.00 C ATOM 1076 C LYS A 63 5.586 10.882 -2.862 1.00 0.00 C ATOM 1077 O LYS A 63 6.460 10.015 -2.713 1.00 0.00 O ATOM 1078 CB LYS A 63 4.849 11.492 -0.529 1.00 0.00 C ATOM 1079 CG LYS A 63 5.394 12.914 -0.571 1.00 0.00 C ATOM 1080 CD LYS A 63 5.794 13.394 0.817 1.00 0.00 C ATOM 1081 CE LYS A 63 6.372 14.801 0.771 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.768 15.283 2.122 1.00 0.00 N ATOM 0 H LYS A 63 4.248 9.052 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 63 3.645 11.628 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.003 11.460 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.616 10.834 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.257 12.955 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.640 13.583 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.925 13.377 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.529 12.711 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.240 14.815 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.636 15.482 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.157 16.245 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.935 15.294 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.489 14.648 2.520 1.00 0.00 H new ATOM 1096 N HIS A 64 5.577 11.756 -3.882 1.00 0.00 N ATOM 1097 CA HIS A 64 6.629 11.785 -4.916 1.00 0.00 C ATOM 1098 C HIS A 64 7.706 12.829 -4.548 1.00 0.00 C ATOM 1099 O HIS A 64 7.366 13.950 -4.143 1.00 0.00 O ATOM 1100 CB HIS A 64 6.035 12.097 -6.293 1.00 0.00 C ATOM 1101 CG HIS A 64 5.085 11.053 -6.789 1.00 0.00 C ATOM 1102 ND1 HIS A 64 4.217 11.274 -7.838 1.00 0.00 N ATOM 1103 CD2 HIS A 64 4.864 9.781 -6.380 1.00 0.00 C ATOM 1104 CE1 HIS A 64 3.504 10.182 -8.053 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.878 9.263 -7.182 1.00 0.00 N ATOM 0 H HIS A 64 4.848 12.457 -4.014 1.00 0.00 H new ATOM 0 HA HIS A 64 7.092 10.799 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.517 13.055 -6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.846 12.208 -7.012 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.369 9.270 -5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.745 10.062 -8.812 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.496 8.320 -7.116 1.00 0.00 H new ATOM 1113 N SER A 65 8.988 12.448 -4.732 1.00 0.00 N ATOM 1114 CA SER A 65 10.169 13.226 -4.297 1.00 0.00 C ATOM 1115 C SER A 65 10.220 14.627 -4.933 1.00 0.00 C ATOM 1116 O SER A 65 10.760 15.576 -4.339 1.00 0.00 O ATOM 1117 CB SER A 65 11.438 12.463 -4.624 1.00 0.00 C ATOM 1118 OG SER A 65 11.651 12.363 -6.005 1.00 0.00 O ATOM 0 H SER A 65 9.236 11.574 -5.196 1.00 0.00 H new ATOM 0 HA SER A 65 10.085 13.365 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.290 12.962 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.381 11.463 -4.193 1.00 0.00 H new ATOM 0 HG SER A 65 10.936 11.828 -6.408 1.00 0.00 H new ATOM 1124 N ASP A 66 9.617 14.761 -6.122 1.00 0.00 N ATOM 1125 CA ASP A 66 9.605 16.034 -6.871 1.00 0.00 C ATOM 1126 C ASP A 66 8.522 16.016 -7.974 1.00 0.00 C ATOM 1127 O ASP A 66 8.085 14.942 -8.403 1.00 0.00 O ATOM 1128 CB ASP A 66 10.979 16.309 -7.485 1.00 0.00 C ATOM 1129 CG ASP A 66 11.244 17.774 -7.803 1.00 0.00 C ATOM 1130 OD1 ASP A 66 10.373 18.579 -7.572 1.00 0.00 O ATOM 1131 OD2 ASP A 66 12.362 18.099 -8.124 1.00 0.00 O ATOM 0 H ASP A 66 9.127 14.000 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 66 9.368 16.834 -6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.748 15.954 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.077 15.727 -8.402 1.00 0.00 H new ATOM 1136 N ALA A 67 8.120 17.224 -8.440 1.00 0.00 N ATOM 1137 CA ALA A 67 7.037 17.416 -9.433 1.00 0.00 C ATOM 1138 C ALA A 67 7.379 16.821 -10.813 1.00 0.00 C ATOM 1139 O ALA A 67 6.563 16.100 -11.404 1.00 0.00 O ATOM 1140 CB ALA A 67 6.694 18.910 -9.546 1.00 0.00 C ATOM 0 H ALA A 67 8.543 18.100 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 67 6.164 16.870 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.897 19.046 -10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.364 19.282 -8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.577 19.463 -9.865 1.00 0.00 H new ATOM 1146 N ALA A 68 8.565 17.141 -11.337 1.00 0.00 N ATOM 1147 CA ALA A 68 9.022 16.635 -12.643 1.00 0.00 C ATOM 1148 C ALA A 68 9.206 15.110 -12.578 1.00 0.00 C ATOM 1149 O ALA A 68 8.923 14.398 -13.549 1.00 0.00 O ATOM 1150 CB ALA A 68 10.319 17.334 -13.077 1.00 0.00 C ATOM 0 H ALA A 68 9.236 17.755 -10.874 1.00 0.00 H new ATOM 0 HA ALA A 68 8.263 16.859 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.637 16.944 -14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.144 18.407 -13.158 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.098 17.148 -12.337 1.00 0.00 H new ATOM 1156 N GLU A 69 9.647 14.624 -11.393 1.00 0.00 N ATOM 1157 CA GLU A 69 9.918 13.191 -11.147 1.00 0.00 C ATOM 1158 C GLU A 69 8.637 12.333 -11.175 1.00 0.00 C ATOM 1159 O GLU A 69 8.706 11.162 -11.512 1.00 0.00 O ATOM 1160 CB GLU A 69 10.630 13.011 -9.804 1.00 0.00 C ATOM 1161 CG GLU A 69 12.067 13.513 -9.782 1.00 0.00 C ATOM 1162 CD GLU A 69 12.912 12.796 -10.797 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.929 11.589 -10.782 1.00 0.00 O ATOM 1164 OE2 GLU A 69 13.452 13.449 -11.659 1.00 0.00 O ATOM 0 H GLU A 69 9.824 15.216 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 69 10.560 12.846 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.064 13.534 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.623 11.953 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.083 14.584 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.489 13.369 -8.787 1.00 0.00 H new ATOM 1171 N GLU A 70 7.495 12.966 -10.838 1.00 0.00 N ATOM 1172 CA GLU A 70 6.196 12.303 -10.553 1.00 0.00 C ATOM 1173 C GLU A 70 5.781 11.203 -11.570 1.00 0.00 C ATOM 1174 O GLU A 70 5.357 10.120 -11.161 1.00 0.00 O ATOM 1175 CB GLU A 70 5.092 13.361 -10.480 1.00 0.00 C ATOM 1176 CG GLU A 70 5.113 14.205 -9.215 1.00 0.00 C ATOM 1177 CD GLU A 70 3.964 15.175 -9.186 1.00 0.00 C ATOM 1178 OE1 GLU A 70 3.240 15.237 -10.150 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.743 15.772 -8.159 1.00 0.00 O ATOM 0 H GLU A 70 7.444 13.981 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 70 6.332 11.790 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.180 14.020 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.124 12.865 -10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.065 13.555 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.054 14.751 -9.155 1.00 0.00 H new ATOM 1186 N LYS A 71 5.923 11.498 -12.878 1.00 0.00 N ATOM 1187 CA LYS A 71 5.467 10.611 -13.964 1.00 0.00 C ATOM 1188 C LYS A 71 6.263 9.282 -13.969 1.00 0.00 C ATOM 1189 O LYS A 71 5.677 8.190 -13.945 1.00 0.00 O ATOM 1190 CB LYS A 71 5.599 11.312 -15.317 1.00 0.00 C ATOM 1191 CG LYS A 71 4.647 12.484 -15.513 1.00 0.00 C ATOM 1192 CD LYS A 71 4.847 13.138 -16.873 1.00 0.00 C ATOM 1193 CE LYS A 71 3.961 14.364 -17.034 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.150 15.017 -18.357 1.00 0.00 N ATOM 0 H LYS A 71 6.358 12.359 -13.210 1.00 0.00 H new ATOM 0 HA LYS A 71 4.417 10.378 -13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.623 11.668 -15.430 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.426 10.583 -16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.617 12.138 -15.421 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.807 13.221 -14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.892 13.424 -16.991 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.623 12.419 -17.661 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.917 14.074 -16.918 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.183 15.079 -16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.528 15.848 -18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.141 15.317 -18.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.913 14.344 -19.113 1.00 0.00 H new ATOM 1208 N LYS A 72 7.601 9.397 -13.948 1.00 0.00 N ATOM 1209 CA LYS A 72 8.518 8.249 -13.943 1.00 0.00 C ATOM 1210 C LYS A 72 8.476 7.553 -12.569 1.00 0.00 C ATOM 1211 O LYS A 72 8.474 6.315 -12.481 1.00 0.00 O ATOM 1212 CB LYS A 72 9.944 8.691 -14.277 1.00 0.00 C ATOM 1213 CG LYS A 72 10.142 9.139 -15.719 1.00 0.00 C ATOM 1214 CD LYS A 72 11.580 9.566 -15.973 1.00 0.00 C ATOM 1215 CE LYS A 72 11.768 10.056 -17.401 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.162 10.512 -17.654 1.00 0.00 N ATOM 0 H LYS A 72 8.079 10.298 -13.934 1.00 0.00 H new ATOM 0 HA LYS A 72 8.197 7.542 -14.708 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.222 9.510 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.625 7.866 -14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.877 8.325 -16.394 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.470 9.968 -15.940 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.855 10.357 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.249 8.727 -15.783 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.517 9.254 -18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.077 10.876 -17.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.248 10.838 -18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.394 11.294 -17.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.820 9.723 -17.492 1.00 0.00 H new ATOM 1230 N GLU A 73 8.407 8.377 -11.500 1.00 0.00 N ATOM 1231 CA GLU A 73 8.465 7.907 -10.111 1.00 0.00 C ATOM 1232 C GLU A 73 7.201 7.118 -9.735 1.00 0.00 C ATOM 1233 O GLU A 73 7.272 6.120 -9.001 1.00 0.00 O ATOM 1234 CB GLU A 73 8.651 9.088 -9.156 1.00 0.00 C ATOM 1235 CG GLU A 73 8.810 8.696 -7.694 1.00 0.00 C ATOM 1236 CD GLU A 73 9.304 9.851 -6.869 1.00 0.00 C ATOM 1237 OE1 GLU A 73 9.634 10.864 -7.437 1.00 0.00 O ATOM 1238 OE2 GLU A 73 9.248 9.762 -5.665 1.00 0.00 O ATOM 0 H GLU A 73 8.309 9.389 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 73 9.321 7.238 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.529 9.655 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.793 9.754 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.854 8.349 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.509 7.863 -7.613 1.00 0.00 H new ATOM 1245 N ALA A 74 6.054 7.561 -10.267 1.00 0.00 N ATOM 1246 CA ALA A 74 4.780 6.882 -10.078 1.00 0.00 C ATOM 1247 C ALA A 74 4.879 5.477 -10.682 1.00 0.00 C ATOM 1248 O ALA A 74 4.641 4.501 -9.981 1.00 0.00 O ATOM 1249 CB ALA A 74 3.636 7.690 -10.705 1.00 0.00 C ATOM 0 H ALA A 74 5.991 8.402 -10.840 1.00 0.00 H new ATOM 0 HA ALA A 74 4.559 6.795 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.693 7.165 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.584 8.672 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.817 7.808 -11.773 1.00 0.00 H new ATOM 1255 N LYS A 75 5.341 5.390 -11.952 1.00 0.00 N ATOM 1256 CA LYS A 75 5.529 4.100 -12.654 1.00 0.00 C ATOM 1257 C LYS A 75 6.560 3.197 -11.929 1.00 0.00 C ATOM 1258 O LYS A 75 6.355 1.982 -11.802 1.00 0.00 O ATOM 1259 CB LYS A 75 5.969 4.341 -14.099 1.00 0.00 C ATOM 1260 CG LYS A 75 4.888 4.930 -14.996 1.00 0.00 C ATOM 1261 CD LYS A 75 5.398 5.135 -16.415 1.00 0.00 C ATOM 1262 CE LYS A 75 4.328 5.753 -17.304 1.00 0.00 C ATOM 1263 NZ LYS A 75 4.821 5.982 -18.689 1.00 0.00 N ATOM 0 H LYS A 75 5.591 6.204 -12.513 1.00 0.00 H new ATOM 0 HA LYS A 75 4.570 3.582 -12.651 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.828 5.012 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.304 3.396 -14.527 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.023 4.267 -15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.552 5.883 -14.587 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.277 5.780 -16.398 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.713 4.178 -16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.457 5.098 -17.332 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.001 6.700 -16.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.063 6.404 -19.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.636 6.627 -18.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.109 5.075 -19.109 1.00 0.00 H new ATOM 1277 N LYS A 76 7.657 3.822 -11.450 1.00 0.00 N ATOM 1278 CA LYS A 76 8.754 3.133 -10.734 1.00 0.00 C ATOM 1279 C LYS A 76 8.236 2.486 -9.440 1.00 0.00 C ATOM 1280 O LYS A 76 8.440 1.291 -9.200 1.00 0.00 O ATOM 1281 CB LYS A 76 9.891 4.105 -10.417 1.00 0.00 C ATOM 1282 CG LYS A 76 11.075 3.475 -9.695 1.00 0.00 C ATOM 1283 CD LYS A 76 12.174 4.496 -9.440 1.00 0.00 C ATOM 1284 CE LYS A 76 13.337 3.878 -8.678 1.00 0.00 C ATOM 1285 NZ LYS A 76 14.399 4.877 -8.378 1.00 0.00 N ATOM 0 H LYS A 76 7.808 4.826 -11.550 1.00 0.00 H new ATOM 0 HA LYS A 76 9.140 2.349 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.243 4.549 -11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.498 4.917 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.742 3.051 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.471 2.652 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.530 4.895 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.770 5.335 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.972 3.446 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.761 3.062 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.173 4.416 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.766 5.271 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.001 5.643 -7.798 1.00 0.00 H new ATOM 1299 N PHE A 77 7.536 3.294 -8.630 1.00 0.00 N ATOM 1300 CA PHE A 77 6.967 2.851 -7.343 1.00 0.00 C ATOM 1301 C PHE A 77 5.774 1.912 -7.591 1.00 0.00 C ATOM 1302 O PHE A 77 5.504 1.018 -6.787 1.00 0.00 O ATOM 1303 CB PHE A 77 6.571 4.077 -6.456 1.00 0.00 C ATOM 1304 CG PHE A 77 6.582 3.766 -4.952 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.752 3.887 -4.195 1.00 0.00 C ATOM 1306 CD2 PHE A 77 5.426 3.346 -4.297 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.760 3.574 -2.846 1.00 0.00 C ATOM 1308 CE2 PHE A 77 5.439 3.038 -2.947 1.00 0.00 C ATOM 1309 CZ PHE A 77 6.600 3.165 -2.222 1.00 0.00 C ATOM 0 H PHE A 77 7.347 4.273 -8.846 1.00 0.00 H new ATOM 0 HA PHE A 77 7.725 2.293 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.259 4.898 -6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.576 4.418 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.661 4.229 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.504 3.259 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.677 3.650 -2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.536 2.697 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.604 2.945 -1.165 1.00 0.00 H new ATOM 1319 N ALA A 78 5.073 2.138 -8.717 1.00 0.00 N ATOM 1320 CA ALA A 78 3.911 1.343 -9.118 1.00 0.00 C ATOM 1321 C ALA A 78 4.294 -0.130 -9.226 1.00 0.00 C ATOM 1322 O ALA A 78 3.541 -1.004 -8.796 1.00 0.00 O ATOM 1323 CB ALA A 78 3.324 1.855 -10.439 1.00 0.00 C ATOM 0 H ALA A 78 5.303 2.883 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 78 3.142 1.446 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.462 1.247 -10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.013 2.893 -10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.079 1.789 -11.222 1.00 0.00 H new ATOM 1329 N ALA A 79 5.498 -0.374 -9.782 1.00 0.00 N ATOM 1330 CA ALA A 79 6.098 -1.709 -9.862 1.00 0.00 C ATOM 1331 C ALA A 79 6.359 -2.274 -8.457 1.00 0.00 C ATOM 1332 O ALA A 79 6.075 -3.444 -8.193 1.00 0.00 O ATOM 1333 CB ALA A 79 7.397 -1.637 -10.673 1.00 0.00 C ATOM 0 H ALA A 79 6.080 0.358 -10.189 1.00 0.00 H new ATOM 0 HA ALA A 79 5.404 -2.383 -10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.844 -2.629 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.179 -1.276 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.093 -0.955 -10.185 1.00 0.00 H new ATOM 1339 N ILE A 80 6.837 -1.392 -7.554 1.00 0.00 N ATOM 1340 CA ILE A 80 7.158 -1.748 -6.158 1.00 0.00 C ATOM 1341 C ILE A 80 5.907 -2.215 -5.395 1.00 0.00 C ATOM 1342 O ILE A 80 5.920 -3.290 -4.786 1.00 0.00 O ATOM 1343 CB ILE A 80 7.791 -0.564 -5.404 1.00 0.00 C ATOM 1344 CG1 ILE A 80 9.142 -0.196 -6.024 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.953 -0.897 -3.929 1.00 0.00 C ATOM 1346 CD1 ILE A 80 10.174 -1.297 -5.936 1.00 0.00 C ATOM 0 H ILE A 80 7.011 -0.411 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 80 7.876 -2.567 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 80 7.127 0.296 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.991 0.065 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.529 0.693 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.402 -0.049 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.976 -1.111 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.597 -1.770 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.104 -0.962 -6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.355 -1.543 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.809 -2.181 -6.459 1.00 0.00 H new ATOM 1358 N LEU A 81 4.811 -1.435 -5.496 1.00 0.00 N ATOM 1359 CA LEU A 81 3.540 -1.758 -4.818 1.00 0.00 C ATOM 1360 C LEU A 81 2.866 -2.984 -5.461 1.00 0.00 C ATOM 1361 O LEU A 81 2.395 -3.857 -4.739 1.00 0.00 O ATOM 1362 CB LEU A 81 2.596 -0.549 -4.854 1.00 0.00 C ATOM 1363 CG LEU A 81 2.887 0.538 -3.812 1.00 0.00 C ATOM 1364 CD1 LEU A 81 2.096 1.798 -4.137 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.532 0.021 -2.425 1.00 0.00 C ATOM 0 H LEU A 81 4.782 -0.574 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 81 3.762 -2.001 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.644 -0.101 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.574 -0.902 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 81 3.948 0.787 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.309 2.564 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.382 2.163 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.030 1.571 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.739 0.794 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.474 -0.238 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.129 -0.864 -2.203 1.00 0.00 H new ATOM 1377 N ASN A 82 2.875 -3.059 -6.816 1.00 0.00 N ATOM 1378 CA ASN A 82 2.226 -4.164 -7.570 1.00 0.00 C ATOM 1379 C ASN A 82 2.884 -5.518 -7.226 1.00 0.00 C ATOM 1380 O ASN A 82 2.199 -6.536 -7.065 1.00 0.00 O ATOM 1381 CB ASN A 82 2.269 -3.925 -9.068 1.00 0.00 C ATOM 1382 CG ASN A 82 1.321 -2.858 -9.538 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.361 -2.503 -8.845 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.536 -2.404 -10.746 1.00 0.00 N ATOM 0 H ASN A 82 3.326 -2.365 -7.412 1.00 0.00 H new ATOM 0 HA ASN A 82 1.179 -4.192 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.284 -3.648 -9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.036 -4.857 -9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.896 -1.725 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.344 -2.729 -11.277 1.00 0.00 H new ATOM 1391 N LYS A 83 4.221 -5.487 -7.063 1.00 0.00 N ATOM 1392 CA LYS A 83 5.000 -6.661 -6.638 1.00 0.00 C ATOM 1393 C LYS A 83 4.639 -7.072 -5.199 1.00 0.00 C ATOM 1394 O LYS A 83 4.504 -8.254 -4.927 1.00 0.00 O ATOM 1395 CB LYS A 83 6.499 -6.376 -6.746 1.00 0.00 C ATOM 1396 CG LYS A 83 7.035 -6.361 -8.172 1.00 0.00 C ATOM 1397 CD LYS A 83 8.512 -5.999 -8.204 1.00 0.00 C ATOM 1398 CE LYS A 83 9.033 -5.921 -9.631 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.478 -5.568 -9.677 1.00 0.00 N ATOM 0 H LYS A 83 4.786 -4.653 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 83 4.751 -7.489 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.708 -5.412 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.042 -7.129 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.889 -7.340 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.470 -5.644 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.664 -5.041 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.083 -6.742 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.878 -6.879 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.460 -5.178 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.794 -5.525 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.624 -4.642 -9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.028 -6.290 -9.169 1.00 0.00 H new ATOM 1413 N VAL A 84 4.438 -6.079 -4.300 1.00 0.00 N ATOM 1414 CA VAL A 84 4.049 -6.318 -2.885 1.00 0.00 C ATOM 1415 C VAL A 84 2.643 -6.958 -2.814 1.00 0.00 C ATOM 1416 O VAL A 84 2.406 -7.910 -2.061 1.00 0.00 O ATOM 1417 CB VAL A 84 4.054 -5.016 -2.062 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.370 -5.232 -0.720 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.478 -4.520 -1.859 1.00 0.00 C ATOM 0 H VAL A 84 4.540 -5.091 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 84 4.788 -6.997 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 84 3.500 -4.257 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.382 -4.302 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.338 -5.544 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.899 -6.005 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.463 -3.599 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.055 -5.277 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.938 -4.328 -2.828 1.00 0.00 H new ATOM 1429 N PHE A 85 1.736 -6.426 -3.644 1.00 0.00 N ATOM 1430 CA PHE A 85 0.346 -6.902 -3.756 1.00 0.00 C ATOM 1431 C PHE A 85 0.316 -8.375 -4.216 1.00 0.00 C ATOM 1432 O PHE A 85 -0.405 -9.197 -3.643 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.447 -6.024 -4.726 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.564 -4.592 -4.290 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -0.426 -4.244 -2.955 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.813 -3.588 -5.214 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -0.534 -2.926 -2.553 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.920 -2.270 -4.816 1.00 0.00 C ATOM 1439 CZ PHE A 85 -0.780 -1.939 -3.483 1.00 0.00 C ATOM 0 H PHE A 85 1.947 -5.644 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.120 -6.836 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.030 -6.058 -5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.447 -6.441 -4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.232 -5.012 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.925 -3.840 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.426 -2.669 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.113 -1.499 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.863 -0.909 -3.170 1.00 0.00 H new ATOM 1449 N ALA A 86 1.145 -8.686 -5.228 1.00 0.00 N ATOM 1450 CA ALA A 86 1.307 -10.052 -5.764 1.00 0.00 C ATOM 1451 C ALA A 86 1.989 -10.992 -4.738 1.00 0.00 C ATOM 1452 O ALA A 86 1.749 -12.201 -4.756 1.00 0.00 O ATOM 1453 CB ALA A 86 2.108 -10.004 -7.078 1.00 0.00 C ATOM 0 H ALA A 86 1.726 -7.993 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 86 0.316 -10.460 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.225 -11.014 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.576 -9.392 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.091 -9.572 -6.889 1.00 0.00 H new ATOM 1459 N GLU A 87 2.848 -10.427 -3.863 1.00 0.00 N ATOM 1460 CA GLU A 87 3.567 -11.201 -2.822 1.00 0.00 C ATOM 1461 C GLU A 87 2.667 -11.498 -1.607 1.00 0.00 C ATOM 1462 O GLU A 87 2.975 -12.382 -0.803 1.00 0.00 O ATOM 1463 CB GLU A 87 4.822 -10.451 -2.368 1.00 0.00 C ATOM 1464 CG GLU A 87 5.968 -10.481 -3.369 1.00 0.00 C ATOM 1465 CD GLU A 87 6.522 -11.869 -3.525 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.934 -12.438 -2.542 1.00 0.00 O ATOM 1467 OE2 GLU A 87 6.431 -12.406 -4.604 1.00 0.00 O ATOM 0 H GLU A 87 3.063 -9.430 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 87 3.856 -12.153 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.558 -9.413 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.166 -10.880 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.619 -10.116 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.759 -9.807 -3.040 1.00 0.00 H new ATOM 1474 N LEU A 88 1.572 -10.724 -1.468 1.00 0.00 N ATOM 1475 CA LEU A 88 0.655 -10.816 -0.304 1.00 0.00 C ATOM 1476 C LEU A 88 -0.626 -11.604 -0.645 1.00 0.00 C ATOM 1477 O LEU A 88 -1.434 -11.890 0.248 1.00 0.00 O ATOM 1478 CB LEU A 88 0.293 -9.411 0.195 1.00 0.00 C ATOM 1479 CG LEU A 88 1.451 -8.621 0.819 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.990 -7.214 1.174 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.958 -9.351 2.053 1.00 0.00 C ATOM 0 H LEU A 88 1.296 -10.020 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 88 1.176 -11.358 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.108 -8.838 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.505 -9.499 0.933 1.00 0.00 H new ATOM 0 HG LEU A 88 2.267 -8.541 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.818 -6.660 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.653 -6.703 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.168 -7.270 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.781 -8.789 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.150 -9.444 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.307 -10.344 1.770 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.812 -11.936 -1.938 1.00 0.00 N ATOM 1494 CA GLY A 89 -1.955 -12.743 -2.391 1.00 0.00 C ATOM 1495 C GLY A 89 -3.093 -11.938 -3.018 1.00 0.00 C ATOM 1496 O GLY A 89 -4.229 -12.428 -3.075 1.00 0.00 O ATOM 0 H GLY A 89 -0.180 -11.655 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.601 -13.474 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.348 -13.302 -1.542 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.805 -10.701 -3.481 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.800 -9.853 -4.170 1.00 0.00 C ATOM 1502 C TYR A 90 -3.667 -10.066 -5.690 1.00 0.00 C ATOM 1503 O TYR A 90 -2.543 -10.146 -6.213 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.597 -8.352 -3.846 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.886 -7.939 -2.397 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.194 -7.823 -1.926 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -2.848 -7.635 -1.510 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.453 -7.433 -0.625 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.106 -7.245 -0.215 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.402 -7.140 0.222 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.650 -6.747 1.513 1.00 0.00 O ATOM 0 H TYR A 90 -1.886 -10.267 -3.389 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.793 -10.139 -3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.567 -8.084 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.238 -7.767 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.018 -8.042 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.825 -7.708 -1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.471 -7.358 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.289 -7.022 0.456 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.801 -6.581 1.973 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.810 -10.124 -6.381 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.874 -10.319 -7.844 1.00 0.00 C ATOM 1523 C ASN A 91 -4.844 -8.963 -8.564 1.00 0.00 C ATOM 1524 O ASN A 91 -5.178 -7.938 -7.968 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.103 -11.108 -8.254 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.075 -12.545 -7.814 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.006 -13.143 -7.645 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.243 -13.126 -7.708 1.00 0.00 N ATOM 0 H ASN A 91 -5.727 -10.037 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.999 -10.899 -8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.988 -10.627 -7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.202 -11.072 -9.339 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.300 -14.118 -7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.096 -12.587 -7.857 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.436 -8.982 -9.846 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.376 -7.775 -10.713 1.00 0.00 C ATOM 1537 C ASP A 92 -5.767 -7.124 -10.882 1.00 0.00 C ATOM 1538 O ASP A 92 -5.884 -5.899 -10.956 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.798 -8.128 -12.085 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.300 -8.402 -12.085 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.662 -8.107 -11.102 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.833 -9.042 -12.997 1.00 0.00 O ATOM 0 H ASP A 92 -4.136 -9.835 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.723 -7.054 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.316 -9.007 -12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.005 -7.310 -12.775 1.00 0.00 H new ATOM 1547 N SER A 93 -6.811 -7.975 -10.885 1.00 0.00 N ATOM 1548 CA SER A 93 -8.226 -7.557 -11.011 1.00 0.00 C ATOM 1549 C SER A 93 -8.777 -6.953 -9.697 1.00 0.00 C ATOM 1550 O SER A 93 -9.914 -6.461 -9.659 1.00 0.00 O ATOM 1551 CB SER A 93 -9.076 -8.737 -11.439 1.00 0.00 C ATOM 1552 OG SER A 93 -9.133 -9.730 -10.452 1.00 0.00 O ATOM 0 H SER A 93 -6.697 -8.985 -10.799 1.00 0.00 H new ATOM 0 HA SER A 93 -8.271 -6.776 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.085 -8.393 -11.666 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.670 -9.162 -12.357 1.00 0.00 H new ATOM 0 HG SER A 93 -9.691 -10.472 -10.766 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.971 -6.989 -8.623 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.341 -6.430 -7.314 1.00 0.00 C ATOM 1560 C ASN A 94 -7.599 -5.115 -7.043 1.00 0.00 C ATOM 1561 O ASN A 94 -7.810 -4.503 -6.011 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.079 -7.420 -6.193 1.00 0.00 C ATOM 1563 CG ASN A 94 -8.983 -8.621 -6.223 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -10.129 -8.550 -6.682 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.503 -9.702 -5.663 1.00 0.00 N ATOM 0 H ASN A 94 -7.041 -7.408 -8.639 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.411 -6.224 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.043 -7.755 -6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.197 -6.911 -5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.082 -10.539 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.550 -9.708 -5.300 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.725 -4.689 -7.970 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.892 -3.476 -7.811 1.00 0.00 C ATOM 1574 C VAL A 95 -6.258 -2.442 -8.893 1.00 0.00 C ATOM 1575 O VAL A 95 -6.214 -2.755 -10.087 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.352 -3.834 -7.890 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.451 -2.580 -7.744 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.988 -4.910 -6.838 1.00 0.00 C ATOM 0 H VAL A 95 -6.573 -5.174 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.089 -3.048 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.163 -4.243 -8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.404 -2.876 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.676 -1.875 -8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.639 -2.107 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.925 -5.143 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.212 -4.533 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.570 -5.813 -7.024 1.00 0.00 H new ATOM 1588 N THR A 96 -6.644 -1.222 -8.467 1.00 0.00 N ATOM 1589 CA THR A 96 -7.015 -0.125 -9.382 1.00 0.00 C ATOM 1590 C THR A 96 -6.110 1.102 -9.136 1.00 0.00 C ATOM 1591 O THR A 96 -6.080 1.640 -8.028 1.00 0.00 O ATOM 1592 CB THR A 96 -8.490 0.286 -9.212 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.337 -0.836 -9.493 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.837 1.427 -10.156 1.00 0.00 C ATOM 0 H THR A 96 -6.707 -0.971 -7.480 1.00 0.00 H new ATOM 0 HA THR A 96 -6.878 -0.489 -10.400 1.00 0.00 H new ATOM 0 HB THR A 96 -8.643 0.618 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.275 -0.574 -9.383 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.883 1.704 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.203 2.286 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.675 1.109 -11.186 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.358 1.524 -10.171 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.462 2.704 -10.088 1.00 0.00 C ATOM 1604 C TRP A 97 -5.182 3.978 -10.573 1.00 0.00 C ATOM 1605 O TRP A 97 -5.802 3.979 -11.646 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.135 2.459 -10.895 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.068 1.726 -10.101 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.834 0.376 -10.050 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.097 2.333 -9.230 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.779 0.113 -9.210 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.309 1.300 -8.698 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.818 3.652 -8.854 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.739 1.544 -7.811 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.221 3.890 -7.973 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.992 2.843 -7.461 1.00 0.00 C ATOM 0 H TRP A 97 -5.351 1.065 -11.082 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.193 2.851 -9.042 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.366 1.886 -11.793 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.737 3.419 -11.223 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.396 -0.371 -10.591 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.405 -0.812 -9.000 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.404 4.470 -9.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.332 0.734 -7.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.441 4.905 -7.675 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.800 3.062 -6.779 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.085 5.057 -9.776 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.543 6.403 -10.170 1.00 0.00 C ATOM 1628 C ASP A 98 -4.555 7.476 -9.662 1.00 0.00 C ATOM 1629 O ASP A 98 -4.603 7.899 -8.497 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.950 6.675 -9.632 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.542 8.009 -10.066 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -6.853 8.760 -10.714 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.721 8.200 -9.884 1.00 0.00 O ATOM 0 H ASP A 98 -4.686 5.021 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.579 6.449 -11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.612 5.874 -9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.922 6.641 -8.543 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.620 7.863 -10.550 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.587 8.857 -10.247 1.00 0.00 C ATOM 1640 C GLY A 99 -1.592 8.400 -9.174 1.00 0.00 C ATOM 1641 O GLY A 99 -0.937 7.364 -9.324 1.00 0.00 O ATOM 0 H GLY A 99 -3.564 7.491 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.041 9.091 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.067 9.778 -9.917 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.477 9.193 -8.095 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.552 8.920 -6.967 1.00 0.00 C ATOM 1647 C ASP A 100 -1.192 7.969 -5.945 1.00 0.00 C ATOM 1648 O ASP A 100 -0.591 7.671 -4.916 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.136 10.222 -6.277 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.271 10.949 -5.570 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.375 10.459 -5.600 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -1.000 11.900 -4.876 1.00 0.00 O ATOM 0 H ASP A 100 -2.023 10.046 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 100 0.336 8.440 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.646 10.000 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.300 10.890 -7.020 1.00 0.00 H new ATOM 1657 N THR A 101 -2.407 7.486 -6.243 1.00 0.00 N ATOM 1658 CA THR A 101 -3.202 6.675 -5.310 1.00 0.00 C ATOM 1659 C THR A 101 -3.598 5.337 -5.953 1.00 0.00 C ATOM 1660 O THR A 101 -4.111 5.323 -7.070 1.00 0.00 O ATOM 1661 CB THR A 101 -4.475 7.415 -4.857 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.112 8.644 -4.213 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.275 6.557 -3.889 1.00 0.00 C ATOM 0 H THR A 101 -2.867 7.647 -7.139 1.00 0.00 H new ATOM 0 HA THR A 101 -2.577 6.489 -4.436 1.00 0.00 H new ATOM 0 HB THR A 101 -5.088 7.623 -5.734 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.571 9.186 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.171 7.096 -3.580 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.562 5.627 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.666 6.332 -3.013 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.363 4.213 -5.254 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.814 2.895 -5.732 1.00 0.00 C ATOM 1673 C VAL A 102 -4.794 2.325 -4.699 1.00 0.00 C ATOM 1674 O VAL A 102 -4.551 2.369 -3.488 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.645 1.914 -5.940 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -1.885 1.707 -4.639 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.156 0.584 -6.475 1.00 0.00 C ATOM 0 H VAL A 102 -2.867 4.190 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.293 3.023 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.962 2.342 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.063 1.011 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.488 2.662 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.559 1.300 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.317 -0.098 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.859 0.152 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.658 0.744 -7.429 1.00 0.00 H new ATOM 1687 N THR A 103 -5.925 1.855 -5.190 1.00 0.00 N ATOM 1688 CA THR A 103 -6.989 1.302 -4.379 1.00 0.00 C ATOM 1689 C THR A 103 -7.052 -0.207 -4.623 1.00 0.00 C ATOM 1690 O THR A 103 -7.196 -0.663 -5.767 1.00 0.00 O ATOM 1691 CB THR A 103 -8.351 1.945 -4.696 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.307 3.344 -4.385 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.455 1.284 -3.884 1.00 0.00 C ATOM 0 H THR A 103 -6.133 1.848 -6.189 1.00 0.00 H new ATOM 0 HA THR A 103 -6.773 1.513 -3.332 1.00 0.00 H new ATOM 0 HB THR A 103 -8.562 1.808 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.174 3.752 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.411 1.751 -4.121 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.500 0.222 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.246 1.404 -2.821 1.00 0.00 H new ATOM 1701 N VAL A 104 -6.876 -0.966 -3.544 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.880 -2.417 -3.570 1.00 0.00 C ATOM 1703 C VAL A 104 -8.033 -2.905 -2.681 1.00 0.00 C ATOM 1704 O VAL A 104 -8.194 -2.444 -1.551 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.545 -3.011 -3.081 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.583 -4.531 -3.147 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.388 -2.473 -3.908 1.00 0.00 C ATOM 0 H VAL A 104 -6.724 -0.578 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.013 -2.751 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.395 -2.713 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.632 -4.934 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.389 -4.903 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.755 -4.846 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.453 -2.903 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.533 -2.742 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.348 -1.388 -3.815 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.837 -3.827 -3.213 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.037 -4.349 -2.550 1.00 0.00 C ATOM 1719 C GLU A 105 -9.777 -5.820 -2.238 1.00 0.00 C ATOM 1720 O GLU A 105 -9.131 -6.510 -3.034 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.283 -4.185 -3.424 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.683 -2.740 -3.684 1.00 0.00 C ATOM 1723 CD GLU A 105 -12.975 -2.660 -4.448 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.022 -3.147 -5.552 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.948 -2.213 -3.886 1.00 0.00 O ATOM 0 H GLU A 105 -8.672 -4.240 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.232 -3.789 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.109 -4.679 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.117 -4.700 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.786 -2.213 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.895 -2.237 -4.245 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.273 -6.299 -1.092 1.00 0.00 N ATOM 1733 CA GLY A 106 -10.180 -7.713 -0.772 1.00 0.00 C ATOM 1734 C GLY A 106 -11.077 -8.126 0.372 1.00 0.00 C ATOM 1735 O GLY A 106 -11.675 -7.276 1.060 1.00 0.00 O ATOM 0 H GLY A 106 -10.736 -5.730 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.438 -8.296 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.147 -7.955 -0.521 1.00 0.00 H new ATOM 1739 N GLN A 107 -11.178 -9.446 0.539 1.00 0.00 N ATOM 1740 CA GLN A 107 -12.081 -10.094 1.491 1.00 0.00 C ATOM 1741 C GLN A 107 -11.278 -11.000 2.437 1.00 0.00 C ATOM 1742 O GLN A 107 -10.259 -11.585 2.044 1.00 0.00 O ATOM 1743 CB GLN A 107 -13.148 -10.911 0.758 1.00 0.00 C ATOM 1744 CG GLN A 107 -14.133 -10.074 -0.041 1.00 0.00 C ATOM 1745 CD GLN A 107 -15.252 -10.908 -0.636 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -15.131 -11.432 -1.747 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -16.351 -11.032 0.099 1.00 0.00 N ATOM 0 H GLN A 107 -10.620 -10.110 0.002 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.583 -9.322 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.654 -11.612 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.700 -11.504 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.560 -9.306 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.602 -9.559 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.407 -10.581 1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.139 -11.578 -0.250 1.00 0.00 H new