USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 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 130 HIS : no HE2:sc= 1.04 K(o=2.2,f=-3.4) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 1.2 K(o=2.2,f=-7.5!) USER MOD Set 2.1: A 4 THR OG1 : rot -74:sc= 0.753 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.668 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.44 USER MOD Set 3.2: A 100 THR OG1 : rot -67:sc= 0.486 USER MOD Set 4.1: A 61 SER OG : rot -74:sc= 1.02 USER MOD Set 4.2: A 62 MET CE :methyl -122:sc= -0.0327 (180deg=-0.273) USER MOD Set 5.1: A 30 ASN : amide:sc= -0.175 K(o=0.43,f=-8!) USER MOD Set 5.2: A 39 THR OG1 : rot 143:sc= 0.602 USER MOD Set 6.1: A 33 SER OG : rot -53:sc= 1.92 USER MOD Set 6.2: A 37 HIS : no HD1:sc= 0.978 K(o=2.9,f=-5.2!) USER MOD Set 7.1: A 20 TYR OH : rot 0:sc= -0.0616 USER MOD Set 7.2: A 81 TYR OH : rot 158:sc= 0.509 USER MOD Set 8.1: A 7 THR OG1 : rot -114:sc= -0.391 USER MOD Set 8.2: A 121 GLN : amide:sc= 1.02 K(o=0.97,f=-1.9) USER MOD Set 8.3: A 125 ASN : amide:sc= 0.337 K(o=0.97,f=-2.9) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0242 (180deg=-0.314) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00649 (180deg=-0.173) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -76:sc= 0.283 USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.879 K(o=0.88,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 33:sc= 0.0812 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 166:sc= -0.0125 (180deg=-0.246) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 120:sc= -0.0026 USER MOD Single : A 71 THR OG1 : rot 178:sc= -0.356 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00851 X(o=-0.0085,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0497 K(o=-0.05,f=-0.99) USER MOD Single : A 116 GLN : amide:sc= -0.57 K(o=-0.57,f=-3.8!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 126 ASN : amide:sc= 0.84 K(o=0.84,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ -173:sc= 0.859 (180deg=0.837) USER MOD Single : A 133 SER OG : rot -55:sc= 1.12 USER MOD Single : A 137 HIS : no HD1:sc= -0.0184 K(o=-0.018,f=-0.69) USER MOD Single : A 138 HIS : no HD1:sc=-0.00511 X(o=-0.0051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.284 12.456 13.725 1.00 0.00 N ATOM 2 CA MET A 1 -0.611 12.972 12.539 1.00 0.00 C ATOM 3 C MET A 1 -0.931 12.116 11.318 1.00 0.00 C ATOM 4 O MET A 1 -0.619 10.927 11.283 1.00 0.00 O ATOM 5 CB MET A 1 0.898 13.026 12.769 1.00 0.00 C ATOM 6 CG MET A 1 1.334 13.990 13.863 1.00 0.00 C ATOM 7 SD MET A 1 0.947 15.708 13.473 1.00 0.00 S ATOM 8 CE MET A 1 2.090 16.015 12.130 1.00 0.00 C ATOM 0 H1 MET A 1 -1.222 13.156 14.492 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.284 12.272 13.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.827 11.572 14.026 1.00 0.00 H new ATOM 0 HA MET A 1 -0.975 13.982 12.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.251 12.026 13.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.385 13.310 11.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.847 13.716 14.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.408 13.891 14.022 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.181 17.089 11.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.067 15.602 12.382 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.719 15.541 11.221 1.00 0.00 H new ATOM 20 N ASN A 2 -1.558 12.729 10.319 1.00 0.00 N ATOM 21 CA ASN A 2 -1.839 12.049 9.061 1.00 0.00 C ATOM 22 C ASN A 2 -0.724 12.294 8.048 1.00 0.00 C ATOM 23 O ASN A 2 -0.406 13.439 7.726 1.00 0.00 O ATOM 24 CB ASN A 2 -3.177 12.474 8.484 1.00 0.00 C ATOM 25 CG ASN A 2 -4.354 12.082 9.335 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.630 10.894 9.539 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.096 13.071 9.762 1.00 0.00 N ATOM 0 H ASN A 2 -1.881 13.696 10.357 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.888 10.981 9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.179 13.556 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.293 12.033 7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.947 12.879 10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.823 14.034 9.567 1.00 0.00 H new ATOM 34 N ILE A 3 -0.135 11.212 7.551 1.00 0.00 N ATOM 35 CA ILE A 3 0.918 11.308 6.548 1.00 0.00 C ATOM 36 C ILE A 3 0.399 10.925 5.166 1.00 0.00 C ATOM 37 O ILE A 3 -0.228 9.879 4.994 1.00 0.00 O ATOM 38 CB ILE A 3 2.119 10.413 6.903 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.713 10.826 8.252 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.175 10.480 5.810 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.743 9.857 8.788 1.00 0.00 C ATOM 0 H ILE A 3 -0.369 10.258 7.827 1.00 0.00 H new ATOM 0 HA ILE A 3 1.245 12.348 6.533 1.00 0.00 H new ATOM 0 HB ILE A 3 1.772 9.383 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.171 11.810 8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.907 10.923 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.017 9.841 6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.746 10.139 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.520 11.508 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.118 10.217 9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.285 8.877 8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.570 9.777 8.082 1.00 0.00 H new ATOM 53 N THR A 4 0.667 11.779 4.182 1.00 0.00 N ATOM 54 CA THR A 4 0.211 11.539 2.819 1.00 0.00 C ATOM 55 C THR A 4 1.390 11.365 1.868 1.00 0.00 C ATOM 56 O THR A 4 2.338 12.151 1.889 1.00 0.00 O ATOM 57 CB THR A 4 -0.682 12.687 2.310 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.840 12.800 3.147 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.118 12.429 0.877 1.00 0.00 C ATOM 0 H THR A 4 1.197 12.642 4.304 1.00 0.00 H new ATOM 0 HA THR A 4 -0.374 10.620 2.841 1.00 0.00 H new ATOM 0 HB THR A 4 -0.110 13.614 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.454 12.060 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.748 13.250 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.239 12.355 0.237 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.681 11.497 0.830 1.00 0.00 H new ATOM 67 N VAL A 5 1.325 10.332 1.034 1.00 0.00 N ATOM 68 CA VAL A 5 2.342 10.108 0.015 1.00 0.00 C ATOM 69 C VAL A 5 1.709 9.858 -1.349 1.00 0.00 C ATOM 70 O VAL A 5 0.574 9.393 -1.442 1.00 0.00 O ATOM 71 CB VAL A 5 3.248 8.915 0.375 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.062 9.223 1.624 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.418 7.657 0.579 1.00 0.00 C ATOM 0 H VAL A 5 0.578 9.637 1.045 1.00 0.00 H new ATOM 0 HA VAL A 5 2.948 11.013 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 5 3.936 8.743 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.696 8.370 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.685 10.100 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.388 9.420 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.075 6.825 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.707 7.818 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.877 7.425 -0.338 1.00 0.00 H new ATOM 83 N GLU A 6 2.450 10.174 -2.407 1.00 0.00 N ATOM 84 CA GLU A 6 1.933 10.056 -3.765 1.00 0.00 C ATOM 85 C GLU A 6 2.991 9.479 -4.701 1.00 0.00 C ATOM 86 O GLU A 6 4.174 9.804 -4.597 1.00 0.00 O ATOM 87 CB GLU A 6 1.457 11.416 -4.280 1.00 0.00 C ATOM 88 CG GLU A 6 0.316 12.027 -3.478 1.00 0.00 C ATOM 89 CD GLU A 6 -0.119 13.341 -4.064 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.421 13.729 -5.072 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.069 13.903 -3.570 1.00 0.00 O ATOM 0 H GLU A 6 3.410 10.514 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 6 1.083 9.374 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.299 12.108 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.139 11.307 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.528 11.338 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.632 12.173 -2.445 1.00 0.00 H new ATOM 98 N THR A 7 2.556 8.620 -5.618 1.00 0.00 N ATOM 99 CA THR A 7 3.420 8.147 -6.693 1.00 0.00 C ATOM 100 C THR A 7 2.645 8.000 -7.997 1.00 0.00 C ATOM 101 O THR A 7 1.550 7.437 -8.021 1.00 0.00 O ATOM 102 CB THR A 7 4.073 6.798 -6.339 1.00 0.00 C ATOM 103 OG1 THR A 7 4.911 6.957 -5.187 1.00 0.00 O ATOM 104 CG2 THR A 7 4.910 6.290 -7.503 1.00 0.00 C ATOM 0 H THR A 7 1.611 8.238 -5.638 1.00 0.00 H new ATOM 0 HA THR A 7 4.202 8.895 -6.822 1.00 0.00 H new ATOM 0 HB THR A 7 3.286 6.075 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.847 6.812 -5.441 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.364 5.336 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.274 6.156 -8.378 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.693 7.013 -7.731 1.00 0.00 H new ATOM 112 N THR A 8 3.221 8.508 -9.082 1.00 0.00 N ATOM 113 CA THR A 8 2.574 8.452 -10.387 1.00 0.00 C ATOM 114 C THR A 8 3.224 7.400 -11.278 1.00 0.00 C ATOM 115 O THR A 8 4.424 7.458 -11.550 1.00 0.00 O ATOM 116 CB THR A 8 2.621 9.816 -11.100 1.00 0.00 C ATOM 117 OG1 THR A 8 1.902 10.787 -10.328 1.00 0.00 O ATOM 118 CG2 THR A 8 2.001 9.715 -12.486 1.00 0.00 C ATOM 0 H THR A 8 4.134 8.963 -9.083 1.00 0.00 H new ATOM 0 HA THR A 8 1.533 8.182 -10.211 1.00 0.00 H new ATOM 0 HB THR A 8 3.663 10.121 -11.201 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.934 11.655 -10.782 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.043 10.688 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.553 8.986 -13.079 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.962 9.398 -12.398 1.00 0.00 H new ATOM 126 N VAL A 9 2.426 6.438 -11.731 1.00 0.00 N ATOM 127 CA VAL A 9 2.941 5.326 -12.521 1.00 0.00 C ATOM 128 C VAL A 9 2.317 5.302 -13.911 1.00 0.00 C ATOM 129 O VAL A 9 1.156 5.671 -14.087 1.00 0.00 O ATOM 130 CB VAL A 9 2.681 3.974 -11.829 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.329 3.947 -10.452 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.188 3.711 -11.718 1.00 0.00 C ATOM 0 H VAL A 9 1.420 6.407 -11.564 1.00 0.00 H new ATOM 0 HA VAL A 9 4.017 5.477 -12.612 1.00 0.00 H new ATOM 0 HB VAL A 9 3.126 3.186 -12.436 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.135 2.985 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.405 4.092 -10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.912 4.745 -9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.023 2.752 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.721 4.503 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.747 3.689 -12.715 1.00 0.00 H new ATOM 142 N ALA A 10 3.095 4.868 -14.896 1.00 0.00 N ATOM 143 CA ALA A 10 2.593 4.710 -16.255 1.00 0.00 C ATOM 144 C ALA A 10 1.913 3.357 -16.435 1.00 0.00 C ATOM 145 O ALA A 10 2.490 2.433 -17.007 1.00 0.00 O ATOM 146 CB ALA A 10 3.725 4.872 -17.259 1.00 0.00 C ATOM 0 H ALA A 10 4.077 4.619 -14.778 1.00 0.00 H new ATOM 0 HA ALA A 10 1.850 5.487 -16.434 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.335 4.751 -18.270 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.164 5.864 -17.155 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.488 4.116 -17.072 1.00 0.00 H new ATOM 152 N ALA A 11 0.683 3.249 -15.945 1.00 0.00 N ATOM 153 CA ALA A 11 -0.077 2.009 -16.052 1.00 0.00 C ATOM 154 C ALA A 11 -1.569 2.259 -15.858 1.00 0.00 C ATOM 155 O ALA A 11 -1.981 3.190 -15.166 1.00 0.00 O ATOM 156 CB ALA A 11 0.427 0.993 -15.035 1.00 0.00 C ATOM 0 H ALA A 11 0.191 4.005 -15.470 1.00 0.00 H new ATOM 0 HA ALA A 11 0.069 1.608 -17.055 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.149 0.072 -15.125 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.480 0.783 -15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.311 1.397 -14.029 1.00 0.00 H new ATOM 162 N PRO A 12 -2.397 1.410 -16.485 1.00 0.00 N ATOM 163 CA PRO A 12 -3.856 1.531 -16.409 1.00 0.00 C ATOM 164 C PRO A 12 -4.385 1.303 -14.998 1.00 0.00 C ATOM 165 O PRO A 12 -3.829 0.513 -14.236 1.00 0.00 O ATOM 166 CB PRO A 12 -4.365 0.464 -17.385 1.00 0.00 C ATOM 167 CG PRO A 12 -3.243 -0.511 -17.488 1.00 0.00 C ATOM 168 CD PRO A 12 -1.987 0.313 -17.384 1.00 0.00 C ATOM 0 HA PRO A 12 -4.198 2.534 -16.665 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.273 -0.013 -17.014 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.606 0.897 -18.356 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.293 -1.253 -16.691 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.280 -1.054 -18.432 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.158 -0.262 -16.971 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.664 0.685 -18.356 1.00 0.00 H new ATOM 176 N VAL A 13 -5.463 2.003 -14.655 1.00 0.00 N ATOM 177 CA VAL A 13 -5.940 2.047 -13.277 1.00 0.00 C ATOM 178 C VAL A 13 -6.236 0.645 -12.753 1.00 0.00 C ATOM 179 O VAL A 13 -5.950 0.330 -11.600 1.00 0.00 O ATOM 180 CB VAL A 13 -7.206 2.913 -13.144 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.792 2.788 -11.746 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.893 4.367 -13.461 1.00 0.00 C ATOM 0 H VAL A 13 -6.022 2.547 -15.312 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.143 2.494 -12.682 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.945 2.555 -13.861 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.686 3.407 -11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.053 1.748 -11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.057 3.120 -11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.799 4.964 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.138 4.736 -12.767 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.517 4.444 -14.481 1.00 0.00 H new ATOM 192 N GLY A 14 -6.810 -0.193 -13.611 1.00 0.00 N ATOM 193 CA GLY A 14 -7.206 -1.525 -13.195 1.00 0.00 C ATOM 194 C GLY A 14 -6.027 -2.372 -12.764 1.00 0.00 C ATOM 195 O GLY A 14 -6.075 -3.039 -11.729 1.00 0.00 O ATOM 0 H GLY A 14 -7.008 0.027 -14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.915 -1.449 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.724 -2.020 -14.017 1.00 0.00 H new ATOM 199 N LYS A 15 -4.961 -2.349 -13.558 1.00 0.00 N ATOM 200 CA LYS A 15 -3.753 -3.100 -13.240 1.00 0.00 C ATOM 201 C LYS A 15 -3.063 -2.522 -12.008 1.00 0.00 C ATOM 202 O LYS A 15 -2.545 -3.262 -11.170 1.00 0.00 O ATOM 203 CB LYS A 15 -2.793 -3.103 -14.432 1.00 0.00 C ATOM 204 CG LYS A 15 -3.255 -3.951 -15.609 1.00 0.00 C ATOM 205 CD LYS A 15 -2.203 -3.994 -16.707 1.00 0.00 C ATOM 206 CE LYS A 15 -2.684 -4.798 -17.905 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.667 -4.842 -18.992 1.00 0.00 N ATOM 0 H LYS A 15 -4.910 -1.818 -14.427 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.042 -4.128 -13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.652 -2.077 -14.772 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.820 -3.465 -14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.469 -4.964 -15.268 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.185 -3.546 -16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.961 -2.979 -17.022 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.285 -4.434 -16.317 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.921 -5.814 -17.588 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.606 -4.361 -18.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.035 -5.400 -19.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.459 -3.875 -19.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.795 -5.283 -18.634 1.00 0.00 H new ATOM 221 N VAL A 16 -3.059 -1.198 -11.903 1.00 0.00 N ATOM 222 CA VAL A 16 -2.447 -0.521 -10.766 1.00 0.00 C ATOM 223 C VAL A 16 -3.160 -0.877 -9.467 1.00 0.00 C ATOM 224 O VAL A 16 -2.520 -1.173 -8.457 1.00 0.00 O ATOM 225 CB VAL A 16 -2.457 1.008 -10.946 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.021 1.698 -9.661 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.555 1.415 -12.100 1.00 0.00 C ATOM 0 H VAL A 16 -3.473 -0.571 -12.593 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.413 -0.862 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.475 1.321 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.034 2.778 -9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.705 1.432 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.012 1.379 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.575 2.499 -12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.535 1.090 -11.897 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.908 0.949 -13.020 1.00 0.00 H new ATOM 237 N TRP A 17 -4.487 -0.846 -9.499 1.00 0.00 N ATOM 238 CA TRP A 17 -5.289 -1.179 -8.326 1.00 0.00 C ATOM 239 C TRP A 17 -5.097 -2.640 -7.934 1.00 0.00 C ATOM 240 O TRP A 17 -4.925 -2.959 -6.758 1.00 0.00 O ATOM 241 CB TRP A 17 -6.768 -0.894 -8.591 1.00 0.00 C ATOM 242 CG TRP A 17 -7.647 -1.151 -7.405 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.982 -0.261 -6.429 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.306 -2.380 -7.071 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.805 -0.857 -5.506 1.00 0.00 N ATOM 246 CE2 TRP A 17 -9.021 -2.159 -5.880 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.360 -3.646 -7.667 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.776 -3.150 -5.272 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.118 -4.639 -7.058 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.806 -4.398 -5.896 1.00 0.00 C ATOM 0 H TRP A 17 -5.031 -0.594 -10.324 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.954 -0.554 -7.498 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.880 0.146 -8.898 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.105 -1.511 -9.424 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.648 0.765 -6.388 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.193 -0.406 -4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.823 -3.847 -8.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.317 -2.964 -4.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.166 -5.619 -7.508 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.386 -5.194 -5.453 1.00 0.00 H new ATOM 261 N ARG A 18 -5.127 -3.523 -8.926 1.00 0.00 N ATOM 262 CA ARG A 18 -5.008 -4.954 -8.679 1.00 0.00 C ATOM 263 C ARG A 18 -3.620 -5.301 -8.148 1.00 0.00 C ATOM 264 O ARG A 18 -3.474 -6.148 -7.268 1.00 0.00 O ATOM 265 CB ARG A 18 -5.362 -5.782 -9.907 1.00 0.00 C ATOM 266 CG ARG A 18 -6.846 -5.845 -10.230 1.00 0.00 C ATOM 267 CD ARG A 18 -7.176 -6.631 -11.446 1.00 0.00 C ATOM 268 NE ARG A 18 -8.596 -6.713 -11.745 1.00 0.00 N ATOM 269 CZ ARG A 18 -9.116 -7.326 -12.826 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.339 -7.879 -13.730 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.430 -7.338 -12.965 1.00 0.00 N ATOM 0 H ARG A 18 -5.233 -3.272 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.737 -5.212 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.835 -5.372 -10.768 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.993 -6.797 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.373 -6.277 -9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.222 -4.829 -10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.663 -6.188 -12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.784 -7.641 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.244 -6.276 -11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.326 -7.848 -13.619 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.749 -8.339 -14.543 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.021 -6.891 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.853 -7.794 -13.773 1.00 0.00 H new ATOM 285 N ALA A 19 -2.603 -4.640 -8.691 1.00 0.00 N ATOM 286 CA ALA A 19 -1.229 -4.864 -8.259 1.00 0.00 C ATOM 287 C ALA A 19 -1.007 -4.342 -6.843 1.00 0.00 C ATOM 288 O ALA A 19 -0.231 -4.910 -6.075 1.00 0.00 O ATOM 289 CB ALA A 19 -0.258 -4.203 -9.225 1.00 0.00 C ATOM 0 H ALA A 19 -2.705 -3.945 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.046 -5.938 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.764 -4.378 -8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.391 -4.626 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.450 -3.131 -9.257 1.00 0.00 H new ATOM 295 N TYR A 20 -1.695 -3.256 -6.503 1.00 0.00 N ATOM 296 CA TYR A 20 -1.554 -2.642 -5.188 1.00 0.00 C ATOM 297 C TYR A 20 -2.137 -3.540 -4.103 1.00 0.00 C ATOM 298 O TYR A 20 -1.723 -3.486 -2.944 1.00 0.00 O ATOM 299 CB TYR A 20 -2.232 -1.272 -5.161 1.00 0.00 C ATOM 300 CG TYR A 20 -2.078 -0.537 -3.847 1.00 0.00 C ATOM 301 CD1 TYR A 20 -0.911 0.151 -3.549 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.101 -0.532 -2.911 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.765 0.823 -2.350 1.00 0.00 C ATOM 304 CE2 TYR A 20 -2.966 0.136 -1.710 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.796 0.813 -1.433 1.00 0.00 C ATOM 306 OH TYR A 20 -1.656 1.482 -0.238 1.00 0.00 O ATOM 0 H TYR A 20 -2.355 -2.784 -7.120 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.490 -2.510 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.819 -0.657 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.294 -1.399 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.103 0.162 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.019 -1.059 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.151 1.353 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.772 0.129 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.773 1.906 -0.202 1.00 0.00 H new ATOM 316 N THR A 21 -3.102 -4.370 -4.486 1.00 0.00 N ATOM 317 CA THR A 21 -3.828 -5.196 -3.528 1.00 0.00 C ATOM 318 C THR A 21 -3.483 -6.671 -3.704 1.00 0.00 C ATOM 319 O THR A 21 -4.208 -7.548 -3.232 1.00 0.00 O ATOM 320 CB THR A 21 -5.350 -5.015 -3.663 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.758 -5.352 -4.995 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.745 -3.577 -3.364 1.00 0.00 C ATOM 0 H THR A 21 -3.400 -4.488 -5.454 1.00 0.00 H new ATOM 0 HA THR A 21 -3.522 -4.869 -2.534 1.00 0.00 H new ATOM 0 HB THR A 21 -5.843 -5.673 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.519 -4.623 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.825 -3.468 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.448 -3.322 -2.347 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.246 -2.909 -4.066 1.00 0.00 H new ATOM 330 N THR A 22 -2.372 -6.939 -4.382 1.00 0.00 N ATOM 331 CA THR A 22 -1.838 -8.292 -4.473 1.00 0.00 C ATOM 332 C THR A 22 -0.780 -8.538 -3.405 1.00 0.00 C ATOM 333 O THR A 22 0.204 -7.806 -3.289 1.00 0.00 O ATOM 334 CB THR A 22 -1.230 -8.566 -5.861 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.245 -8.442 -6.865 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.635 -9.965 -5.915 1.00 0.00 C ATOM 0 H THR A 22 -1.824 -6.236 -4.877 1.00 0.00 H new ATOM 0 HA THR A 22 -2.674 -8.973 -4.314 1.00 0.00 H new ATOM 0 HB THR A 22 -0.439 -7.838 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.442 -7.494 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.210 -10.142 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.147 -10.057 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.416 -10.700 -5.719 1.00 0.00 H new ATOM 344 N PRO A 23 -0.982 -9.595 -2.604 1.00 0.00 N ATOM 345 CA PRO A 23 -0.089 -9.924 -1.488 1.00 0.00 C ATOM 346 C PRO A 23 1.312 -10.296 -1.958 1.00 0.00 C ATOM 347 O PRO A 23 2.305 -9.925 -1.333 1.00 0.00 O ATOM 348 CB PRO A 23 -0.787 -11.097 -0.792 1.00 0.00 C ATOM 349 CG PRO A 23 -1.694 -11.660 -1.832 1.00 0.00 C ATOM 350 CD PRO A 23 -2.146 -10.479 -2.649 1.00 0.00 C ATOM 0 HA PRO A 23 0.068 -9.075 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.067 -11.840 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.345 -10.764 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.175 -12.391 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.543 -12.172 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.398 -10.765 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.031 -10.006 -2.223 1.00 0.00 H new ATOM 358 N GLU A 24 1.385 -11.032 -3.063 1.00 0.00 N ATOM 359 CA GLU A 24 2.667 -11.392 -3.657 1.00 0.00 C ATOM 360 C GLU A 24 3.451 -10.146 -4.057 1.00 0.00 C ATOM 361 O GLU A 24 4.678 -10.115 -3.967 1.00 0.00 O ATOM 362 CB GLU A 24 2.462 -12.300 -4.871 1.00 0.00 C ATOM 363 CG GLU A 24 1.993 -13.707 -4.533 1.00 0.00 C ATOM 364 CD GLU A 24 1.742 -14.514 -5.777 1.00 0.00 C ATOM 365 OE1 GLU A 24 1.861 -13.971 -6.848 1.00 0.00 O ATOM 366 OE2 GLU A 24 1.541 -15.701 -5.660 1.00 0.00 O ATOM 0 H GLU A 24 0.572 -11.390 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 24 3.244 -11.935 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.733 -11.837 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.400 -12.366 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.744 -14.205 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.080 -13.655 -3.940 1.00 0.00 H new ATOM 373 N ASP A 25 2.733 -9.119 -4.499 1.00 0.00 N ATOM 374 CA ASP A 25 3.356 -7.858 -4.880 1.00 0.00 C ATOM 375 C ASP A 25 3.738 -7.045 -3.648 1.00 0.00 C ATOM 376 O ASP A 25 4.845 -6.512 -3.562 1.00 0.00 O ATOM 377 CB ASP A 25 2.419 -7.046 -5.778 1.00 0.00 C ATOM 378 CG ASP A 25 2.289 -7.579 -7.198 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.079 -8.413 -7.573 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.314 -7.270 -7.840 1.00 0.00 O ATOM 0 H ASP A 25 1.718 -9.136 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 25 4.265 -8.086 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.430 -7.020 -5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.778 -6.018 -5.821 1.00 0.00 H new ATOM 385 N ILE A 26 2.817 -6.955 -2.695 1.00 0.00 N ATOM 386 CA ILE A 26 3.003 -6.099 -1.530 1.00 0.00 C ATOM 387 C ILE A 26 4.233 -6.514 -0.732 1.00 0.00 C ATOM 388 O ILE A 26 5.038 -5.675 -0.328 1.00 0.00 O ATOM 389 CB ILE A 26 1.771 -6.123 -0.608 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.585 -5.428 -1.283 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.091 -5.462 0.724 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.738 -5.670 -0.592 1.00 0.00 C ATOM 0 H ILE A 26 1.934 -7.465 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 26 3.143 -5.085 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 26 1.499 -7.162 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.776 -4.355 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.514 -5.772 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.209 -5.487 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.907 -5.998 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.387 -4.427 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.530 -5.146 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.953 -6.739 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.687 -5.300 0.432 1.00 0.00 H new ATOM 404 N LYS A 27 4.376 -7.817 -0.510 1.00 0.00 N ATOM 405 CA LYS A 27 5.445 -8.338 0.331 1.00 0.00 C ATOM 406 C LYS A 27 6.813 -8.017 -0.266 1.00 0.00 C ATOM 407 O LYS A 27 7.824 -8.035 0.435 1.00 0.00 O ATOM 408 CB LYS A 27 5.293 -9.848 0.520 1.00 0.00 C ATOM 409 CG LYS A 27 5.579 -10.670 -0.730 1.00 0.00 C ATOM 410 CD LYS A 27 5.372 -12.156 -0.474 1.00 0.00 C ATOM 411 CE LYS A 27 5.735 -12.984 -1.698 1.00 0.00 C ATOM 412 NZ LYS A 27 5.530 -14.440 -1.464 1.00 0.00 N ATOM 0 H LYS A 27 3.763 -8.532 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 27 5.373 -7.854 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.965 -10.172 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.278 -10.060 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.926 -10.344 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.604 -10.494 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.982 -12.469 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.332 -12.339 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.129 -12.664 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.776 -12.802 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.788 -14.969 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.127 -14.752 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.531 -14.618 -1.236 1.00 0.00 H new ATOM 426 N GLN A 28 6.832 -7.721 -1.561 1.00 0.00 N ATOM 427 CA GLN A 28 8.081 -7.440 -2.260 1.00 0.00 C ATOM 428 C GLN A 28 8.454 -5.966 -2.138 1.00 0.00 C ATOM 429 O GLN A 28 9.631 -5.609 -2.169 1.00 0.00 O ATOM 430 CB GLN A 28 7.969 -7.826 -3.737 1.00 0.00 C ATOM 431 CG GLN A 28 7.928 -9.324 -3.988 1.00 0.00 C ATOM 432 CD GLN A 28 7.913 -9.664 -5.467 1.00 0.00 C ATOM 433 OE1 GLN A 28 8.942 -9.594 -6.145 1.00 0.00 O ATOM 434 NE2 GLN A 28 6.743 -10.029 -5.977 1.00 0.00 N ATOM 0 H GLN A 28 5.999 -7.669 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 28 8.865 -8.037 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.068 -7.375 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.815 -7.401 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.794 -9.792 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.042 -9.745 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.918 -10.073 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.669 -10.265 -6.967 1.00 0.00 H new ATOM 443 N TRP A 29 7.443 -5.115 -1.998 1.00 0.00 N ATOM 444 CA TRP A 29 7.641 -3.674 -2.087 1.00 0.00 C ATOM 445 C TRP A 29 8.034 -3.092 -0.733 1.00 0.00 C ATOM 446 O TRP A 29 8.374 -1.916 -0.627 1.00 0.00 O ATOM 447 CB TRP A 29 6.373 -2.991 -2.605 1.00 0.00 C ATOM 448 CG TRP A 29 6.016 -3.377 -4.008 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.861 -3.865 -4.960 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.720 -3.312 -4.617 1.00 0.00 C ATOM 451 NE1 TRP A 29 6.175 -4.106 -6.124 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.856 -3.775 -5.938 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.457 -2.907 -4.170 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.785 -3.841 -6.815 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.383 -2.975 -5.048 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.543 -3.430 -6.333 1.00 0.00 C ATOM 0 H TRP A 29 6.479 -5.399 -1.823 1.00 0.00 H new ATOM 0 HA TRP A 29 8.454 -3.489 -2.789 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.541 -3.239 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.507 -1.910 -2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.918 -4.037 -4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.579 -4.471 -6.986 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.320 -2.548 -3.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.907 -4.195 -7.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.404 -2.664 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.685 -3.471 -6.987 1.00 0.00 H new ATOM 467 N ASN A 30 7.984 -3.928 0.300 1.00 0.00 N ATOM 468 CA ASN A 30 8.361 -3.503 1.644 1.00 0.00 C ATOM 469 C ASN A 30 9.644 -2.678 1.614 1.00 0.00 C ATOM 470 O ASN A 30 10.593 -3.012 0.905 1.00 0.00 O ATOM 471 CB ASN A 30 8.518 -4.689 2.579 1.00 0.00 C ATOM 472 CG ASN A 30 8.636 -4.304 4.028 1.00 0.00 C ATOM 473 OD1 ASN A 30 8.943 -3.155 4.364 1.00 0.00 O ATOM 474 ND2 ASN A 30 8.475 -5.280 4.885 1.00 0.00 N ATOM 0 H ASN A 30 7.687 -4.901 0.232 1.00 0.00 H new ATOM 0 HA ASN A 30 7.554 -2.878 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.662 -5.353 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.404 -5.254 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.603 -5.109 5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.221 -6.211 4.556 1.00 0.00 H new ATOM 481 N ALA A 31 9.666 -1.600 2.391 1.00 0.00 N ATOM 482 CA ALA A 31 10.604 -0.509 2.158 1.00 0.00 C ATOM 483 C ALA A 31 11.971 -0.823 2.757 1.00 0.00 C ATOM 484 O ALA A 31 12.949 -0.123 2.497 1.00 0.00 O ATOM 485 CB ALA A 31 10.059 0.789 2.734 1.00 0.00 C ATOM 0 H ALA A 31 9.045 -1.459 3.188 1.00 0.00 H new ATOM 0 HA ALA A 31 10.726 -0.392 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.770 1.595 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.109 1.029 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.906 0.675 3.807 1.00 0.00 H new ATOM 491 N ALA A 32 12.030 -1.880 3.560 1.00 0.00 N ATOM 492 CA ALA A 32 13.217 -2.167 4.357 1.00 0.00 C ATOM 493 C ALA A 32 14.204 -3.033 3.582 1.00 0.00 C ATOM 494 O ALA A 32 14.078 -3.198 2.369 1.00 0.00 O ATOM 495 CB ALA A 32 12.825 -2.849 5.660 1.00 0.00 C ATOM 0 H ALA A 32 11.271 -2.551 3.676 1.00 0.00 H new ATOM 0 HA ALA A 32 13.707 -1.221 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.721 -3.058 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.164 -2.195 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.309 -3.784 5.441 1.00 0.00 H new ATOM 501 N SER A 33 15.186 -3.581 4.290 1.00 0.00 N ATOM 502 CA SER A 33 16.277 -4.308 3.649 1.00 0.00 C ATOM 503 C SER A 33 15.809 -5.679 3.171 1.00 0.00 C ATOM 504 O SER A 33 14.913 -6.283 3.762 1.00 0.00 O ATOM 505 CB SER A 33 17.445 -4.448 4.606 1.00 0.00 C ATOM 506 OG SER A 33 17.180 -5.368 5.629 1.00 0.00 O ATOM 0 H SER A 33 15.249 -3.536 5.307 1.00 0.00 H new ATOM 0 HA SER A 33 16.604 -3.741 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.330 -4.765 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.674 -3.476 5.043 1.00 0.00 H new ATOM 0 HG SER A 33 16.338 -5.132 6.071 1.00 0.00 H new ATOM 512 N ASP A 34 16.421 -6.166 2.099 1.00 0.00 N ATOM 513 CA ASP A 34 16.214 -7.539 1.656 1.00 0.00 C ATOM 514 C ASP A 34 17.050 -8.510 2.483 1.00 0.00 C ATOM 515 O ASP A 34 17.030 -9.718 2.250 1.00 0.00 O ATOM 516 CB ASP A 34 16.554 -7.684 0.170 1.00 0.00 C ATOM 517 CG ASP A 34 15.556 -7.023 -0.771 1.00 0.00 C ATOM 518 OD1 ASP A 34 14.480 -6.694 -0.328 1.00 0.00 O ATOM 519 OD2 ASP A 34 15.929 -6.709 -1.876 1.00 0.00 O ATOM 0 H ASP A 34 17.066 -5.629 1.519 1.00 0.00 H new ATOM 0 HA ASP A 34 15.161 -7.782 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 34 17.541 -7.256 -0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.617 -8.744 -0.074 1.00 0.00 H new ATOM 524 N ASP A 35 17.784 -7.973 3.452 1.00 0.00 N ATOM 525 CA ASP A 35 18.797 -8.745 4.161 1.00 0.00 C ATOM 526 C ASP A 35 18.324 -9.101 5.568 1.00 0.00 C ATOM 527 O ASP A 35 18.287 -10.271 5.943 1.00 0.00 O ATOM 528 CB ASP A 35 20.116 -7.972 4.227 1.00 0.00 C ATOM 529 CG ASP A 35 20.729 -7.657 2.869 1.00 0.00 C ATOM 530 OD1 ASP A 35 20.888 -8.562 2.086 1.00 0.00 O ATOM 531 OD2 ASP A 35 20.886 -6.498 2.565 1.00 0.00 O ATOM 0 H ASP A 35 17.696 -7.006 3.764 1.00 0.00 H new ATOM 0 HA ASP A 35 18.962 -9.670 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.949 -7.037 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.833 -8.550 4.810 1.00 0.00 H new ATOM 536 N TRP A 36 17.963 -8.081 6.339 1.00 0.00 N ATOM 537 CA TRP A 36 17.650 -8.266 7.752 1.00 0.00 C ATOM 538 C TRP A 36 16.141 -8.269 7.978 1.00 0.00 C ATOM 539 O TRP A 36 15.675 -8.332 9.116 1.00 0.00 O ATOM 540 CB TRP A 36 18.306 -7.169 8.593 1.00 0.00 C ATOM 541 CG TRP A 36 19.804 -7.216 8.573 1.00 0.00 C ATOM 542 CD1 TRP A 36 20.636 -6.398 7.869 1.00 0.00 C ATOM 543 CD2 TRP A 36 20.647 -8.127 9.289 1.00 0.00 C ATOM 544 NE1 TRP A 36 21.946 -6.743 8.099 1.00 0.00 N ATOM 545 CE2 TRP A 36 21.977 -7.803 8.971 1.00 0.00 C ATOM 546 CE3 TRP A 36 20.403 -9.189 10.171 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.057 -8.495 9.496 1.00 0.00 C ATOM 548 CZ3 TRP A 36 21.486 -9.882 10.698 1.00 0.00 C ATOM 549 CH2 TRP A 36 22.775 -9.544 10.370 1.00 0.00 C ATOM 0 H TRP A 36 17.880 -7.119 6.010 1.00 0.00 H new ATOM 0 HA TRP A 36 18.047 -9.232 8.063 1.00 0.00 H new ATOM 0 HB2 TRP A 36 17.976 -6.196 8.228 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.961 -7.257 9.623 1.00 0.00 H new ATOM 0 HD1 TRP A 36 20.313 -5.595 7.224 1.00 0.00 H new ATOM 0 HE1 TRP A 36 22.761 -6.287 7.689 1.00 0.00 H new ATOM 0 HE3 TRP A 36 19.393 -9.463 10.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.073 -8.233 9.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 21.310 -10.702 11.378 1.00 0.00 H new ATOM 0 HH2 TRP A 36 23.592 -10.105 10.800 1.00 0.00 H new ATOM 560 N HIS A 37 15.382 -8.200 6.889 1.00 0.00 N ATOM 561 CA HIS A 37 13.927 -8.202 6.969 1.00 0.00 C ATOM 562 C HIS A 37 13.333 -9.248 6.031 1.00 0.00 C ATOM 563 O HIS A 37 13.590 -9.236 4.827 1.00 0.00 O ATOM 564 CB HIS A 37 13.361 -6.818 6.639 1.00 0.00 C ATOM 565 CG HIS A 37 13.800 -5.747 7.589 1.00 0.00 C ATOM 566 ND1 HIS A 37 14.985 -5.057 7.437 1.00 0.00 N ATOM 567 CD2 HIS A 37 13.214 -5.249 8.703 1.00 0.00 C ATOM 568 CE1 HIS A 37 15.107 -4.178 8.417 1.00 0.00 C ATOM 569 NE2 HIS A 37 14.047 -4.275 9.198 1.00 0.00 N ATOM 0 H HIS A 37 15.752 -8.142 5.940 1.00 0.00 H new ATOM 0 HA HIS A 37 13.650 -8.456 7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.664 -6.542 5.629 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.272 -6.870 6.642 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.269 -5.559 9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.933 -3.496 8.555 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.874 -3.717 10.034 1.00 0.00 H new ATOM 576 N THR A 38 12.536 -10.155 6.591 1.00 0.00 N ATOM 577 CA THR A 38 11.759 -11.088 5.786 1.00 0.00 C ATOM 578 C THR A 38 10.274 -10.747 5.827 1.00 0.00 C ATOM 579 O THR A 38 9.713 -10.492 6.893 1.00 0.00 O ATOM 580 CB THR A 38 11.955 -12.540 6.261 1.00 0.00 C ATOM 581 OG1 THR A 38 13.337 -12.903 6.137 1.00 0.00 O ATOM 582 CG2 THR A 38 11.110 -13.492 5.429 1.00 0.00 C ATOM 0 H THR A 38 12.413 -10.262 7.598 1.00 0.00 H new ATOM 0 HA THR A 38 12.121 -10.997 4.762 1.00 0.00 H new ATOM 0 HB THR A 38 11.644 -12.610 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.461 -13.826 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.261 -14.513 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.058 -13.226 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.405 -13.420 4.382 1.00 0.00 H new ATOM 590 N THR A 39 9.641 -10.743 4.658 1.00 0.00 N ATOM 591 CA THR A 39 8.272 -10.256 4.532 1.00 0.00 C ATOM 592 C THR A 39 7.386 -11.283 3.836 1.00 0.00 C ATOM 593 O THR A 39 7.783 -11.885 2.837 1.00 0.00 O ATOM 594 CB THR A 39 8.214 -8.930 3.754 1.00 0.00 C ATOM 595 OG1 THR A 39 9.042 -7.955 4.403 1.00 0.00 O ATOM 596 CG2 THR A 39 6.785 -8.411 3.689 1.00 0.00 C ATOM 0 H THR A 39 10.054 -11.071 3.785 1.00 0.00 H new ATOM 0 HA THR A 39 7.903 -10.088 5.544 1.00 0.00 H new ATOM 0 HB THR A 39 8.573 -9.106 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.484 -7.399 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.764 -7.473 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.154 -9.144 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.412 -8.244 4.700 1.00 0.00 H new ATOM 604 N ALA A 40 6.184 -11.478 4.367 1.00 0.00 N ATOM 605 CA ALA A 40 5.161 -12.254 3.679 1.00 0.00 C ATOM 606 C ALA A 40 3.770 -11.689 3.946 1.00 0.00 C ATOM 607 O ALA A 40 3.469 -11.257 5.057 1.00 0.00 O ATOM 608 CB ALA A 40 5.231 -13.714 4.105 1.00 0.00 C ATOM 0 H ALA A 40 5.895 -11.109 5.273 1.00 0.00 H new ATOM 0 HA ALA A 40 5.350 -12.190 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.461 -14.283 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.212 -14.119 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.070 -13.787 5.181 1.00 0.00 H new ATOM 614 N ALA A 41 2.926 -11.697 2.919 1.00 0.00 N ATOM 615 CA ALA A 41 1.594 -11.115 3.022 1.00 0.00 C ATOM 616 C ALA A 41 0.546 -12.029 2.396 1.00 0.00 C ATOM 617 O ALA A 41 0.823 -12.740 1.429 1.00 0.00 O ATOM 618 CB ALA A 41 1.563 -9.745 2.362 1.00 0.00 C ATOM 0 H ALA A 41 3.141 -12.100 2.007 1.00 0.00 H new ATOM 0 HA ALA A 41 1.355 -11.002 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.562 -9.323 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.277 -9.087 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.828 -9.842 1.309 1.00 0.00 H new ATOM 624 N THR A 42 -0.661 -12.008 2.955 1.00 0.00 N ATOM 625 CA THR A 42 -1.815 -12.614 2.304 1.00 0.00 C ATOM 626 C THR A 42 -3.026 -11.690 2.359 1.00 0.00 C ATOM 627 O THR A 42 -3.391 -11.192 3.423 1.00 0.00 O ATOM 628 CB THR A 42 -2.181 -13.964 2.946 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.064 -14.858 2.856 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.378 -14.583 2.241 1.00 0.00 C ATOM 0 H THR A 42 -0.864 -11.578 3.857 1.00 0.00 H new ATOM 0 HA THR A 42 -1.537 -12.782 1.263 1.00 0.00 H new ATOM 0 HB THR A 42 -2.436 -13.794 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.298 -15.716 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.622 -15.537 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.233 -13.911 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.138 -14.745 1.190 1.00 0.00 H new ATOM 638 N VAL A 43 -3.646 -11.465 1.205 1.00 0.00 N ATOM 639 CA VAL A 43 -4.749 -10.517 1.102 1.00 0.00 C ATOM 640 C VAL A 43 -5.965 -11.159 0.442 1.00 0.00 C ATOM 641 O VAL A 43 -5.850 -11.814 -0.593 1.00 0.00 O ATOM 642 CB VAL A 43 -4.344 -9.263 0.303 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.517 -8.302 0.190 1.00 0.00 C ATOM 644 CG2 VAL A 43 -3.154 -8.577 0.957 1.00 0.00 C ATOM 0 H VAL A 43 -3.403 -11.926 0.328 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.005 -10.220 2.119 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.054 -9.572 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.213 -7.422 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.344 -8.795 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.836 -7.999 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.881 -7.693 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.418 -8.280 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.309 -9.265 0.988 1.00 0.00 H new ATOM 654 N ASP A 44 -7.130 -10.964 1.050 1.00 0.00 N ATOM 655 CA ASP A 44 -8.396 -11.254 0.384 1.00 0.00 C ATOM 656 C ASP A 44 -8.941 -10.012 -0.312 1.00 0.00 C ATOM 657 O ASP A 44 -9.343 -9.047 0.341 1.00 0.00 O ATOM 658 CB ASP A 44 -9.421 -11.788 1.388 1.00 0.00 C ATOM 659 CG ASP A 44 -10.752 -12.197 0.771 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.918 -12.010 -0.411 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.528 -12.830 1.446 1.00 0.00 O ATOM 0 H ASP A 44 -7.225 -10.607 2.001 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.212 -12.019 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.993 -12.648 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.604 -11.024 2.143 1.00 0.00 H new ATOM 666 N LEU A 45 -8.952 -10.040 -1.640 1.00 0.00 N ATOM 667 CA LEU A 45 -9.275 -8.856 -2.429 1.00 0.00 C ATOM 668 C LEU A 45 -10.785 -8.693 -2.571 1.00 0.00 C ATOM 669 O LEU A 45 -11.387 -9.193 -3.522 1.00 0.00 O ATOM 670 CB LEU A 45 -8.612 -8.940 -3.809 1.00 0.00 C ATOM 671 CG LEU A 45 -7.091 -8.738 -3.817 1.00 0.00 C ATOM 672 CD1 LEU A 45 -6.406 -9.906 -3.120 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.603 -8.604 -5.251 1.00 0.00 C ATOM 0 H LEU A 45 -8.741 -10.870 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.888 -7.981 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.835 -9.915 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.065 -8.191 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.842 -7.825 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.327 -9.754 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.753 -9.969 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.647 -10.833 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.522 -8.461 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.851 -9.509 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.085 -7.747 -5.721 1.00 0.00 H new ATOM 685 N ARG A 46 -11.390 -7.988 -1.621 1.00 0.00 N ATOM 686 CA ARG A 46 -12.817 -7.693 -1.681 1.00 0.00 C ATOM 687 C ARG A 46 -13.199 -6.643 -0.641 1.00 0.00 C ATOM 688 O ARG A 46 -12.473 -6.420 0.326 1.00 0.00 O ATOM 689 CB ARG A 46 -13.670 -8.946 -1.550 1.00 0.00 C ATOM 690 CG ARG A 46 -13.570 -9.650 -0.207 1.00 0.00 C ATOM 691 CD ARG A 46 -14.329 -10.926 -0.125 1.00 0.00 C ATOM 692 NE ARG A 46 -14.080 -11.699 1.080 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.754 -11.551 2.237 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.692 -10.638 2.363 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.432 -12.334 3.252 1.00 0.00 N ATOM 0 H ARG A 46 -10.915 -7.611 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.022 -7.280 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.712 -8.679 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.383 -9.647 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.520 -9.851 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.930 -8.976 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.395 -10.705 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.081 -11.538 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.343 -12.403 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.919 -10.028 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.193 -10.540 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.691 -13.027 3.147 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.925 -12.245 4.141 1.00 0.00 H new ATOM 709 N GLU A 47 -14.344 -6.000 -0.852 1.00 0.00 N ATOM 710 CA GLU A 47 -14.909 -5.102 0.149 1.00 0.00 C ATOM 711 C GLU A 47 -15.360 -5.878 1.384 1.00 0.00 C ATOM 712 O GLU A 47 -16.208 -6.764 1.298 1.00 0.00 O ATOM 713 CB GLU A 47 -16.083 -4.315 -0.438 1.00 0.00 C ATOM 714 CG GLU A 47 -16.630 -3.227 0.476 1.00 0.00 C ATOM 715 CD GLU A 47 -17.579 -2.322 -0.259 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.169 -1.717 -1.220 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.743 -2.322 0.069 1.00 0.00 O ATOM 0 H GLU A 47 -14.897 -6.084 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.131 -4.400 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.766 -3.859 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.888 -5.010 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.142 -3.684 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.805 -2.641 0.881 1.00 0.00 H new ATOM 724 N GLY A 48 -14.784 -5.536 2.533 1.00 0.00 N ATOM 725 CA GLY A 48 -15.010 -6.314 3.737 1.00 0.00 C ATOM 726 C GLY A 48 -13.993 -7.423 3.908 1.00 0.00 C ATOM 727 O GLY A 48 -13.925 -8.057 4.961 1.00 0.00 O ATOM 0 H GLY A 48 -14.165 -4.734 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.974 -5.655 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.011 -6.744 3.705 1.00 0.00 H new ATOM 731 N GLY A 49 -13.197 -7.662 2.868 1.00 0.00 N ATOM 732 CA GLY A 49 -12.199 -8.714 2.924 1.00 0.00 C ATOM 733 C GLY A 49 -11.095 -8.416 3.917 1.00 0.00 C ATOM 734 O GLY A 49 -10.755 -7.255 4.147 1.00 0.00 O ATOM 0 H GLY A 49 -13.226 -7.146 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.681 -9.654 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.765 -8.851 1.934 1.00 0.00 H new ATOM 738 N ALA A 50 -10.534 -9.466 4.510 1.00 0.00 N ATOM 739 CA ALA A 50 -9.469 -9.308 5.493 1.00 0.00 C ATOM 740 C ALA A 50 -8.105 -9.586 4.874 1.00 0.00 C ATOM 741 O ALA A 50 -8.003 -10.265 3.851 1.00 0.00 O ATOM 742 CB ALA A 50 -9.709 -10.227 6.682 1.00 0.00 C ATOM 0 H ALA A 50 -10.799 -10.434 4.327 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.477 -8.274 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.907 -10.099 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.663 -9.978 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.730 -11.263 6.343 1.00 0.00 H new ATOM 748 N PHE A 51 -7.057 -9.058 5.498 1.00 0.00 N ATOM 749 CA PHE A 51 -5.694 -9.295 5.039 1.00 0.00 C ATOM 750 C PHE A 51 -4.716 -9.295 6.211 1.00 0.00 C ATOM 751 O PHE A 51 -5.023 -8.784 7.288 1.00 0.00 O ATOM 752 CB PHE A 51 -5.285 -8.240 4.008 1.00 0.00 C ATOM 753 CG PHE A 51 -5.342 -6.832 4.529 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.510 -6.088 4.435 1.00 0.00 C ATOM 755 CD2 PHE A 51 -4.228 -6.248 5.114 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.563 -4.793 4.912 1.00 0.00 C ATOM 757 CE2 PHE A 51 -4.280 -4.952 5.592 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.446 -4.225 5.492 1.00 0.00 C ATOM 0 H PHE A 51 -7.126 -8.463 6.323 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.663 -10.277 4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.271 -8.451 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.937 -8.323 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.388 -6.527 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.311 -6.812 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.478 -4.225 4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.405 -4.509 6.045 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.486 -3.213 5.867 1.00 0.00 H new ATOM 768 N SER A 52 -3.539 -9.870 5.993 1.00 0.00 N ATOM 769 CA SER A 52 -2.533 -9.978 7.043 1.00 0.00 C ATOM 770 C SER A 52 -1.127 -9.932 6.455 1.00 0.00 C ATOM 771 O SER A 52 -0.871 -10.481 5.383 1.00 0.00 O ATOM 772 CB SER A 52 -2.737 -11.256 7.834 1.00 0.00 C ATOM 773 OG SER A 52 -1.764 -11.420 8.828 1.00 0.00 O ATOM 0 H SER A 52 -3.258 -10.269 5.097 1.00 0.00 H new ATOM 0 HA SER A 52 -2.646 -9.128 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.726 -11.244 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.710 -12.110 7.157 1.00 0.00 H new ATOM 0 HG SER A 52 -1.502 -10.543 9.178 1.00 0.00 H new ATOM 779 N SER A 53 -0.217 -9.274 7.166 1.00 0.00 N ATOM 780 CA SER A 53 1.177 -9.196 6.738 1.00 0.00 C ATOM 781 C SER A 53 2.117 -9.535 7.891 1.00 0.00 C ATOM 782 O SER A 53 2.071 -8.908 8.950 1.00 0.00 O ATOM 783 CB SER A 53 1.482 -7.814 6.193 1.00 0.00 C ATOM 784 OG SER A 53 2.820 -7.688 5.798 1.00 0.00 O ATOM 0 H SER A 53 -0.418 -8.788 8.040 1.00 0.00 H new ATOM 0 HA SER A 53 1.335 -9.927 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.832 -7.608 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.257 -7.067 6.954 1.00 0.00 H new ATOM 0 HG SER A 53 2.975 -6.785 5.451 1.00 0.00 H new ATOM 790 N ARG A 54 2.971 -10.532 7.677 1.00 0.00 N ATOM 791 CA ARG A 54 3.920 -10.956 8.697 1.00 0.00 C ATOM 792 C ARG A 54 5.338 -10.522 8.335 1.00 0.00 C ATOM 793 O ARG A 54 5.824 -10.805 7.240 1.00 0.00 O ATOM 794 CB ARG A 54 3.844 -12.451 8.967 1.00 0.00 C ATOM 795 CG ARG A 54 4.713 -12.940 10.115 1.00 0.00 C ATOM 796 CD ARG A 54 4.682 -14.410 10.324 1.00 0.00 C ATOM 797 NE ARG A 54 5.569 -14.888 11.374 1.00 0.00 N ATOM 798 CZ ARG A 54 5.230 -14.993 12.673 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.041 -14.621 13.096 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.133 -15.458 13.518 1.00 0.00 N ATOM 0 H ARG A 54 3.024 -11.060 6.806 1.00 0.00 H new ATOM 0 HA ARG A 54 3.642 -10.458 9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.808 -12.715 9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.131 -12.984 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.743 -12.633 9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.392 -12.448 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.662 -14.709 10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.947 -14.903 9.389 1.00 0.00 H new ATOM 0 HE ARG A 54 6.514 -15.163 11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.359 -14.246 12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.801 -14.708 14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.057 -15.726 13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.906 -15.549 14.508 1.00 0.00 H new ATOM 814 N MET A 55 5.995 -9.831 9.261 1.00 0.00 N ATOM 815 CA MET A 55 7.384 -9.428 9.072 1.00 0.00 C ATOM 816 C MET A 55 8.260 -9.948 10.206 1.00 0.00 C ATOM 817 O MET A 55 7.895 -9.850 11.377 1.00 0.00 O ATOM 818 CB MET A 55 7.486 -7.907 8.976 1.00 0.00 C ATOM 819 CG MET A 55 8.907 -7.379 8.838 1.00 0.00 C ATOM 820 SD MET A 55 8.965 -5.589 8.628 1.00 0.00 S ATOM 821 CE MET A 55 8.445 -5.040 10.251 1.00 0.00 C ATOM 0 H MET A 55 5.588 -9.539 10.149 1.00 0.00 H new ATOM 0 HA MET A 55 7.742 -9.863 8.139 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.901 -7.569 8.120 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.033 -7.468 9.865 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.481 -7.656 9.722 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.387 -7.857 7.984 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.665 -3.978 10.364 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.373 -5.203 10.364 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.980 -5.604 11.015 1.00 0.00 H new ATOM 831 N GLU A 56 9.417 -10.499 9.852 1.00 0.00 N ATOM 832 CA GLU A 56 10.359 -11.001 10.843 1.00 0.00 C ATOM 833 C GLU A 56 11.756 -10.438 10.599 1.00 0.00 C ATOM 834 O GLU A 56 12.154 -10.203 9.459 1.00 0.00 O ATOM 835 CB GLU A 56 10.395 -12.531 10.823 1.00 0.00 C ATOM 836 CG GLU A 56 9.106 -13.196 11.286 1.00 0.00 C ATOM 837 CD GLU A 56 9.235 -14.694 11.288 1.00 0.00 C ATOM 838 OE1 GLU A 56 10.259 -15.184 10.877 1.00 0.00 O ATOM 839 OE2 GLU A 56 8.356 -15.345 11.804 1.00 0.00 O ATOM 0 H GLU A 56 9.724 -10.609 8.885 1.00 0.00 H new ATOM 0 HA GLU A 56 10.022 -10.672 11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.618 -12.864 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.213 -12.871 11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.855 -12.849 12.288 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.286 -12.900 10.632 1.00 0.00 H new ATOM 846 N ALA A 57 12.498 -10.223 11.682 1.00 0.00 N ATOM 847 CA ALA A 57 13.905 -9.856 11.585 1.00 0.00 C ATOM 848 C ALA A 57 14.775 -11.080 11.320 1.00 0.00 C ATOM 849 O ALA A 57 14.634 -12.109 11.981 1.00 0.00 O ATOM 850 CB ALA A 57 14.356 -9.148 12.853 1.00 0.00 C ATOM 0 H ALA A 57 12.147 -10.297 12.637 1.00 0.00 H new ATOM 0 HA ALA A 57 14.019 -9.173 10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.409 -8.880 12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.763 -8.245 12.996 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.220 -9.811 13.708 1.00 0.00 H new ATOM 856 N LYS A 58 15.675 -10.962 10.351 1.00 0.00 N ATOM 857 CA LYS A 58 16.549 -12.069 9.978 1.00 0.00 C ATOM 858 C LYS A 58 17.372 -12.537 11.174 1.00 0.00 C ATOM 859 O LYS A 58 17.689 -13.721 11.296 1.00 0.00 O ATOM 860 CB LYS A 58 17.472 -11.661 8.828 1.00 0.00 C ATOM 861 CG LYS A 58 18.371 -12.779 8.317 1.00 0.00 C ATOM 862 CD LYS A 58 17.566 -13.857 7.609 1.00 0.00 C ATOM 863 CE LYS A 58 18.474 -14.905 6.980 1.00 0.00 C ATOM 864 NZ LYS A 58 17.699 -15.960 6.272 1.00 0.00 N ATOM 0 H LYS A 58 15.819 -10.110 9.809 1.00 0.00 H new ATOM 0 HA LYS A 58 15.923 -12.897 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.863 -11.295 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.097 -10.830 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.113 -12.368 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.917 -13.219 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.893 -14.336 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.944 -13.402 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.154 -14.422 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.089 -15.364 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.354 -16.653 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.068 -16.439 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.132 -15.526 5.516 1.00 0.00 H new ATOM 878 N ASP A 59 17.712 -11.602 12.055 1.00 0.00 N ATOM 879 CA ASP A 59 18.539 -11.911 13.215 1.00 0.00 C ATOM 880 C ASP A 59 17.714 -12.592 14.303 1.00 0.00 C ATOM 881 O ASP A 59 18.249 -13.018 15.325 1.00 0.00 O ATOM 882 CB ASP A 59 19.192 -10.640 13.764 1.00 0.00 C ATOM 883 CG ASP A 59 18.220 -9.664 14.416 1.00 0.00 C ATOM 884 OD1 ASP A 59 17.069 -10.005 14.551 1.00 0.00 O ATOM 885 OD2 ASP A 59 18.665 -8.659 14.914 1.00 0.00 O ATOM 0 H ASP A 59 17.428 -10.625 11.988 1.00 0.00 H new ATOM 0 HA ASP A 59 19.324 -12.597 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.950 -10.922 14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.708 -10.131 12.950 1.00 0.00 H new ATOM 890 N GLY A 60 16.407 -12.688 14.075 1.00 0.00 N ATOM 891 CA GLY A 60 15.580 -13.576 14.871 1.00 0.00 C ATOM 892 C GLY A 60 15.245 -12.994 16.229 1.00 0.00 C ATOM 893 O GLY A 60 14.732 -13.694 17.103 1.00 0.00 O ATOM 0 H GLY A 60 15.907 -12.167 13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.657 -13.788 14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.097 -14.527 15.004 1.00 0.00 H new ATOM 897 N SER A 61 15.536 -11.710 16.410 1.00 0.00 N ATOM 898 CA SER A 61 15.375 -11.064 17.708 1.00 0.00 C ATOM 899 C SER A 61 13.928 -10.627 17.921 1.00 0.00 C ATOM 900 O SER A 61 13.437 -10.599 19.048 1.00 0.00 O ATOM 901 CB SER A 61 16.311 -9.875 17.821 1.00 0.00 C ATOM 902 OG SER A 61 16.010 -8.877 16.884 1.00 0.00 O ATOM 0 H SER A 61 15.885 -11.096 15.674 1.00 0.00 H new ATOM 0 HA SER A 61 15.629 -11.785 18.485 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.248 -9.459 18.826 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.339 -10.208 17.678 1.00 0.00 H new ATOM 0 HG SER A 61 16.306 -9.163 15.995 1.00 0.00 H new ATOM 908 N MET A 62 13.252 -10.289 16.828 1.00 0.00 N ATOM 909 CA MET A 62 11.934 -9.669 16.906 1.00 0.00 C ATOM 910 C MET A 62 11.131 -9.938 15.638 1.00 0.00 C ATOM 911 O MET A 62 11.688 -10.299 14.602 1.00 0.00 O ATOM 912 CB MET A 62 12.070 -8.166 17.142 1.00 0.00 C ATOM 913 CG MET A 62 12.769 -7.414 16.018 1.00 0.00 C ATOM 914 SD MET A 62 13.093 -5.688 16.433 1.00 0.00 S ATOM 915 CE MET A 62 14.424 -5.869 17.618 1.00 0.00 C ATOM 0 H MET A 62 13.595 -10.434 15.878 1.00 0.00 H new ATOM 0 HA MET A 62 11.398 -10.109 17.747 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.076 -7.741 17.284 1.00 0.00 H new ATOM 0 HB3 MET A 62 12.621 -8.004 18.069 1.00 0.00 H new ATOM 0 HG2 MET A 62 13.711 -7.911 15.785 1.00 0.00 H new ATOM 0 HG3 MET A 62 12.154 -7.458 15.119 1.00 0.00 H new ATOM 0 HE1 MET A 62 14.134 -5.411 18.564 1.00 0.00 H new ATOM 0 HE2 MET A 62 14.630 -6.928 17.775 1.00 0.00 H new ATOM 0 HE3 MET A 62 15.320 -5.378 17.237 1.00 0.00 H new ATOM 925 N GLY A 63 9.816 -9.760 15.726 1.00 0.00 N ATOM 926 CA GLY A 63 8.982 -9.781 14.538 1.00 0.00 C ATOM 927 C GLY A 63 7.579 -9.276 14.805 1.00 0.00 C ATOM 928 O GLY A 63 7.119 -9.272 15.948 1.00 0.00 O ATOM 0 H GLY A 63 9.313 -9.602 16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.444 -9.169 13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.931 -10.799 14.152 1.00 0.00 H new ATOM 932 N PHE A 64 6.893 -8.849 13.750 1.00 0.00 N ATOM 933 CA PHE A 64 5.605 -8.182 13.893 1.00 0.00 C ATOM 934 C PHE A 64 4.563 -8.812 12.970 1.00 0.00 C ATOM 935 O PHE A 64 4.858 -9.148 11.823 1.00 0.00 O ATOM 936 CB PHE A 64 5.738 -6.688 13.600 1.00 0.00 C ATOM 937 CG PHE A 64 6.717 -5.980 14.493 1.00 0.00 C ATOM 938 CD1 PHE A 64 6.315 -5.463 15.716 1.00 0.00 C ATOM 939 CD2 PHE A 64 8.042 -5.830 14.112 1.00 0.00 C ATOM 940 CE1 PHE A 64 7.214 -4.812 16.537 1.00 0.00 C ATOM 941 CE2 PHE A 64 8.943 -5.180 14.933 1.00 0.00 C ATOM 942 CZ PHE A 64 8.530 -4.670 16.145 1.00 0.00 C ATOM 0 H PHE A 64 7.208 -8.953 12.786 1.00 0.00 H new ATOM 0 HA PHE A 64 5.272 -8.306 14.923 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.046 -6.557 12.563 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.760 -6.218 13.704 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.287 -5.571 16.029 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.373 -6.226 13.163 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.888 -4.414 17.486 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.972 -5.071 14.625 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.234 -4.161 16.786 1.00 0.00 H new ATOM 952 N ASP A 65 3.346 -8.966 13.481 1.00 0.00 N ATOM 953 CA ASP A 65 2.233 -9.445 12.670 1.00 0.00 C ATOM 954 C ASP A 65 1.144 -8.381 12.560 1.00 0.00 C ATOM 955 O ASP A 65 0.639 -7.887 13.568 1.00 0.00 O ATOM 956 CB ASP A 65 1.655 -10.734 13.259 1.00 0.00 C ATOM 957 CG ASP A 65 0.547 -11.365 12.426 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.148 -10.766 11.454 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.220 -12.500 12.673 1.00 0.00 O ATOM 0 H ASP A 65 3.106 -8.766 14.452 1.00 0.00 H new ATOM 0 HA ASP A 65 2.610 -9.656 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.461 -11.458 13.378 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.268 -10.522 14.256 1.00 0.00 H new ATOM 964 N PHE A 66 0.790 -8.032 11.327 1.00 0.00 N ATOM 965 CA PHE A 66 -0.167 -6.958 11.084 1.00 0.00 C ATOM 966 C PHE A 66 -1.434 -7.498 10.427 1.00 0.00 C ATOM 967 O PHE A 66 -1.371 -8.327 9.520 1.00 0.00 O ATOM 968 CB PHE A 66 0.460 -5.870 10.209 1.00 0.00 C ATOM 969 CG PHE A 66 1.642 -5.191 10.843 1.00 0.00 C ATOM 970 CD1 PHE A 66 1.465 -4.120 11.706 1.00 0.00 C ATOM 971 CD2 PHE A 66 2.932 -5.621 10.575 1.00 0.00 C ATOM 972 CE1 PHE A 66 2.549 -3.494 12.289 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.020 -4.997 11.157 1.00 0.00 C ATOM 974 CZ PHE A 66 3.828 -3.933 12.013 1.00 0.00 C ATOM 0 H PHE A 66 1.150 -8.476 10.482 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.438 -6.522 12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.771 -6.312 9.262 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.297 -5.121 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.467 -3.771 11.925 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.089 -6.453 9.904 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.396 -2.662 12.960 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.020 -5.343 10.941 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.677 -3.444 12.467 1.00 0.00 H new ATOM 984 N ALA A 67 -2.584 -7.019 10.890 1.00 0.00 N ATOM 985 CA ALA A 67 -3.863 -7.414 10.315 1.00 0.00 C ATOM 986 C ALA A 67 -4.695 -6.193 9.939 1.00 0.00 C ATOM 987 O ALA A 67 -4.540 -5.121 10.521 1.00 0.00 O ATOM 988 CB ALA A 67 -4.630 -8.298 11.287 1.00 0.00 C ATOM 0 H ALA A 67 -2.656 -6.356 11.662 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.664 -7.981 9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.583 -8.585 10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.046 -9.193 11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.811 -7.750 12.212 1.00 0.00 H new ATOM 994 N GLY A 68 -5.579 -6.363 8.959 1.00 0.00 N ATOM 995 CA GLY A 68 -6.493 -5.298 8.590 1.00 0.00 C ATOM 996 C GLY A 68 -7.707 -5.809 7.842 1.00 0.00 C ATOM 997 O GLY A 68 -7.750 -6.969 7.429 1.00 0.00 O ATOM 0 H GLY A 68 -5.678 -7.220 8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.818 -4.775 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.968 -4.571 7.970 1.00 0.00 H new ATOM 1001 N THR A 69 -8.700 -4.943 7.666 1.00 0.00 N ATOM 1002 CA THR A 69 -9.898 -5.296 6.915 1.00 0.00 C ATOM 1003 C THR A 69 -10.348 -4.143 6.023 1.00 0.00 C ATOM 1004 O THR A 69 -10.247 -2.977 6.402 1.00 0.00 O ATOM 1005 CB THR A 69 -11.056 -5.690 7.850 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.651 -6.787 8.680 1.00 0.00 O ATOM 1007 CG2 THR A 69 -12.280 -6.097 7.042 1.00 0.00 C ATOM 0 H THR A 69 -8.698 -3.992 8.034 1.00 0.00 H new ATOM 0 HA THR A 69 -9.638 -6.153 6.294 1.00 0.00 H new ATOM 0 HB THR A 69 -11.311 -4.830 8.469 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.388 -7.036 9.276 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.088 -6.372 7.720 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.598 -5.262 6.418 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.031 -6.949 6.409 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.845 -4.479 4.838 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.256 -3.470 3.869 1.00 0.00 C ATOM 1017 C TYR A 70 -12.668 -2.973 4.166 1.00 0.00 C ATOM 1018 O TYR A 70 -13.565 -3.759 4.472 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.193 -4.039 2.450 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.789 -4.356 1.988 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.853 -3.346 1.799 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.398 -5.666 1.740 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.569 -3.630 1.375 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.115 -5.961 1.318 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.205 -4.941 1.137 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.927 -5.228 0.716 1.00 0.00 O ATOM 0 H TYR A 70 -10.973 -5.441 4.525 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.569 -2.628 3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.795 -4.946 2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.641 -3.324 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.135 -2.320 1.987 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.108 -6.467 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.855 -2.833 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.827 -6.985 1.131 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.493 -5.818 1.367 1.00 0.00 H new ATOM 1036 N THR A 71 -12.859 -1.661 4.074 1.00 0.00 N ATOM 1037 CA THR A 71 -14.120 -1.042 4.458 1.00 0.00 C ATOM 1038 C THR A 71 -14.973 -0.728 3.233 1.00 0.00 C ATOM 1039 O THR A 71 -16.202 -0.780 3.290 1.00 0.00 O ATOM 1040 CB THR A 71 -13.894 0.253 5.260 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.221 1.216 4.439 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.056 -0.027 6.498 1.00 0.00 C ATOM 0 H THR A 71 -12.154 -1.006 3.736 1.00 0.00 H new ATOM 0 HA THR A 71 -14.644 -1.760 5.089 1.00 0.00 H new ATOM 0 HB THR A 71 -14.863 0.645 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.103 2.049 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.906 0.899 7.053 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.572 -0.750 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.089 -0.431 6.199 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.315 -0.403 2.127 1.00 0.00 N ATOM 1051 CA LYS A 72 -15.004 0.108 0.948 1.00 0.00 C ATOM 1052 C LYS A 72 -14.107 0.030 -0.284 1.00 0.00 C ATOM 1053 O LYS A 72 -12.901 0.271 -0.202 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.462 1.550 1.177 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.211 2.166 0.003 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.614 3.603 0.297 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.666 3.671 1.395 1.00 0.00 C ATOM 1058 NZ LYS A 72 -18.169 5.057 1.599 1.00 0.00 N ATOM 0 H LYS A 72 -13.304 -0.484 2.022 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.881 -0.515 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.104 1.579 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.590 2.165 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.583 2.137 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.100 1.574 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.736 4.175 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.002 4.067 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.499 3.017 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.242 3.298 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.883 5.059 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.379 5.677 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.597 5.404 0.717 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.702 -0.306 -1.424 1.00 0.00 N ATOM 1073 CA VAL A 73 -14.001 -0.243 -2.700 1.00 0.00 C ATOM 1074 C VAL A 73 -14.898 0.328 -3.792 1.00 0.00 C ATOM 1075 O VAL A 73 -15.981 -0.195 -4.057 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.495 -1.631 -3.138 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.795 -1.542 -4.485 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.559 -2.212 -2.089 1.00 0.00 C ATOM 0 H VAL A 73 -15.669 -0.625 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.144 0.415 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.354 -2.295 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.444 -2.531 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.493 -1.167 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.945 -0.863 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.211 -3.192 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.704 -1.549 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.090 -2.312 -1.142 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.440 1.402 -4.425 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.252 2.117 -5.404 1.00 0.00 C ATOM 1090 C VAL A 74 -14.502 2.284 -6.721 1.00 0.00 C ATOM 1091 O VAL A 74 -13.357 2.737 -6.741 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.674 3.504 -4.884 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.486 4.243 -5.937 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.472 3.370 -3.596 1.00 0.00 C ATOM 0 H VAL A 74 -13.511 1.797 -4.278 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.146 1.517 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.774 4.081 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.776 5.221 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.885 4.370 -6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.380 3.668 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.762 4.360 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.366 2.775 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.861 2.879 -2.839 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.155 1.917 -7.819 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.587 2.116 -9.147 1.00 0.00 C ATOM 1106 C GLU A 75 -13.165 1.567 -9.218 1.00 0.00 C ATOM 1107 O GLU A 75 -12.320 2.096 -9.940 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.601 3.599 -9.522 1.00 0.00 C ATOM 1109 CG GLU A 75 -15.994 4.191 -9.690 1.00 0.00 C ATOM 1110 CD GLU A 75 -15.926 5.646 -10.066 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -14.840 6.168 -10.153 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -16.950 6.206 -10.378 1.00 0.00 O ATOM 0 H GLU A 75 -16.077 1.481 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.202 1.570 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.071 4.161 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.048 3.732 -10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.536 3.639 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.554 4.079 -8.762 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.909 0.503 -8.464 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.547 0.026 -8.253 1.00 0.00 C ATOM 1121 C ASN A 76 -10.570 1.194 -8.152 1.00 0.00 C ATOM 1122 O ASN A 76 -9.569 1.243 -8.866 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.115 -0.929 -9.351 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.949 -2.177 -9.430 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -12.023 -2.961 -8.477 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.513 -2.406 -10.589 1.00 0.00 N ATOM 0 H ASN A 76 -13.626 -0.045 -7.989 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.536 -0.519 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.160 -0.411 -10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.074 -1.208 -9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.044 -3.264 -10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.422 -1.726 -11.344 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.870 2.133 -7.262 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.345 3.489 -7.373 1.00 0.00 C ATOM 1135 C LYS A 77 -10.225 4.142 -5.999 1.00 0.00 C ATOM 1136 O LYS A 77 -9.423 5.055 -5.804 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.236 4.336 -8.283 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.745 5.762 -8.493 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.658 6.529 -9.439 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.154 7.946 -9.670 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.055 8.718 -10.567 1.00 0.00 N ATOM 0 H LYS A 77 -11.475 1.980 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.349 3.429 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.315 3.845 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.240 4.369 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.697 6.277 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.733 5.744 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.721 6.004 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.666 6.563 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.067 8.461 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.155 7.909 -10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.675 9.677 -10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.118 8.241 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.002 8.776 -10.142 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.024 3.665 -5.051 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.989 4.185 -3.690 1.00 0.00 C ATOM 1157 C ARG A 78 -11.154 3.060 -2.673 1.00 0.00 C ATOM 1158 O ARG A 78 -12.134 2.317 -2.708 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.009 5.293 -3.470 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.121 5.785 -2.036 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.956 7.001 -1.870 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.467 8.171 -2.583 1.00 0.00 N ATOM 1163 CZ ARG A 78 -12.991 8.640 -3.733 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -13.992 8.024 -4.322 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -12.455 9.723 -4.267 1.00 0.00 N ATOM 0 H ARG A 78 -11.704 2.919 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.007 4.633 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.750 6.137 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.987 4.936 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.537 4.986 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.120 5.991 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.968 6.781 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.021 7.239 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.672 8.671 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.384 7.178 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.377 8.392 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.666 10.180 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.830 10.102 -5.137 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.187 2.941 -1.769 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.085 1.766 -0.912 1.00 0.00 C ATOM 1181 C ILE A 79 -9.503 2.129 0.451 1.00 0.00 C ATOM 1182 O ILE A 79 -8.432 2.728 0.540 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.216 0.671 -1.555 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.262 -0.610 -0.717 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.783 1.155 -1.716 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.717 -1.826 -1.430 1.00 0.00 C ATOM 0 H ILE A 79 -9.464 3.643 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.097 1.382 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.616 0.448 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.694 -0.453 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.294 -0.804 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.182 0.368 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.767 2.039 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.371 1.405 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.783 -2.693 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.299 -2.010 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.675 -1.653 -1.699 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.218 1.762 1.510 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.808 2.110 2.866 1.00 0.00 C ATOM 1200 C GLU A 80 -9.646 0.858 3.724 1.00 0.00 C ATOM 1201 O GLU A 80 -10.468 -0.056 3.669 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.821 3.062 3.505 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.499 3.450 4.941 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.613 4.254 5.552 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.697 3.736 5.673 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.353 5.345 6.001 1.00 0.00 O ATOM 0 H GLU A 80 -11.083 1.224 1.455 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.843 2.613 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.881 3.968 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.806 2.596 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.329 2.551 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.575 4.027 4.966 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.579 0.825 4.515 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.222 -0.372 5.266 1.00 0.00 C ATOM 1215 C TYR A 81 -7.447 -0.011 6.531 1.00 0.00 C ATOM 1216 O TYR A 81 -7.036 1.134 6.713 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.397 -1.324 4.396 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.114 -0.719 3.871 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -4.954 -0.736 4.632 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -6.066 -0.134 2.615 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -3.780 -0.185 4.158 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.897 0.420 2.130 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.755 0.393 2.905 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.588 0.942 2.426 1.00 0.00 O ATOM 0 H TYR A 81 -7.947 1.613 4.652 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.144 -0.874 5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.156 -2.214 4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.006 -1.649 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.970 -1.188 5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.957 -0.111 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.886 -0.206 4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.877 0.872 1.149 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.624 0.986 1.448 1.00 0.00 H new ATOM 1234 N ALA A 82 -7.254 -0.998 7.399 1.00 0.00 N ATOM 1235 CA ALA A 82 -6.513 -0.791 8.637 1.00 0.00 C ATOM 1236 C ALA A 82 -5.266 -1.670 8.684 1.00 0.00 C ATOM 1237 O ALA A 82 -5.310 -2.845 8.320 1.00 0.00 O ATOM 1238 CB ALA A 82 -7.403 -1.070 9.839 1.00 0.00 C ATOM 0 H ALA A 82 -7.600 -1.948 7.268 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.194 0.251 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.836 -0.911 10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.260 -0.397 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.751 -2.102 9.802 1.00 0.00 H new ATOM 1244 N PHE A 83 -4.158 -1.092 9.134 1.00 0.00 N ATOM 1245 CA PHE A 83 -2.892 -1.813 9.195 1.00 0.00 C ATOM 1246 C PHE A 83 -2.361 -1.857 10.624 1.00 0.00 C ATOM 1247 O PHE A 83 -1.750 -0.903 11.102 1.00 0.00 O ATOM 1248 CB PHE A 83 -1.861 -1.167 8.267 1.00 0.00 C ATOM 1249 CG PHE A 83 -0.582 -1.946 8.145 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -0.536 -3.120 7.407 1.00 0.00 C ATOM 1251 CD2 PHE A 83 0.575 -1.508 8.770 1.00 0.00 C ATOM 1252 CE1 PHE A 83 0.640 -3.837 7.295 1.00 0.00 C ATOM 1253 CE2 PHE A 83 1.753 -2.223 8.658 1.00 0.00 C ATOM 1254 CZ PHE A 83 1.784 -3.389 7.919 1.00 0.00 C ATOM 0 H PHE A 83 -4.111 -0.127 9.462 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.069 -2.836 8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.300 -1.051 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.632 -0.166 8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.429 -3.477 6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.556 -0.598 9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.662 -4.750 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.648 -1.870 9.148 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.703 -3.949 7.830 1.00 0.00 H new ATOM 1264 N GLY A 84 -2.598 -2.977 11.302 1.00 0.00 N ATOM 1265 CA GLY A 84 -2.204 -3.097 12.695 1.00 0.00 C ATOM 1266 C GLY A 84 -2.959 -2.142 13.596 1.00 0.00 C ATOM 1267 O GLY A 84 -4.190 -2.140 13.620 1.00 0.00 O ATOM 0 H GLY A 84 -3.055 -3.802 10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.375 -4.120 13.031 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.134 -2.907 12.784 1.00 0.00 H new ATOM 1271 N ASP A 85 -2.220 -1.327 14.342 1.00 0.00 N ATOM 1272 CA ASP A 85 -2.826 -0.375 15.264 1.00 0.00 C ATOM 1273 C ASP A 85 -3.006 0.988 14.600 1.00 0.00 C ATOM 1274 O ASP A 85 -3.232 1.993 15.273 1.00 0.00 O ATOM 1275 CB ASP A 85 -1.978 -0.237 16.531 1.00 0.00 C ATOM 1276 CG ASP A 85 -0.563 0.272 16.289 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -0.204 0.450 15.149 1.00 0.00 O ATOM 1278 OD2 ASP A 85 0.089 0.626 17.241 1.00 0.00 O ATOM 0 H ASP A 85 -1.200 -1.307 14.326 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.809 -0.755 15.541 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.482 0.442 17.219 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.923 -1.208 17.024 1.00 0.00 H new ATOM 1283 N ARG A 86 -2.901 1.012 13.276 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.101 2.240 12.515 1.00 0.00 C ATOM 1285 C ARG A 86 -4.016 1.994 11.318 1.00 0.00 C ATOM 1286 O ARG A 86 -4.404 0.858 11.041 1.00 0.00 O ATOM 1287 CB ARG A 86 -1.787 2.878 12.094 1.00 0.00 C ATOM 1288 CG ARG A 86 -0.900 3.333 13.242 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.438 4.483 14.013 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.542 4.993 15.038 1.00 0.00 N ATOM 1291 CZ ARG A 86 -0.465 4.515 16.294 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.251 3.541 16.698 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.408 5.065 17.121 1.00 0.00 N ATOM 0 H ARG A 86 -2.679 0.195 12.707 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.593 2.954 13.175 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.232 2.164 11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.004 3.737 11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.747 2.495 13.922 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.078 3.603 12.844 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.674 5.290 13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.374 4.183 14.483 1.00 0.00 H new ATOM 0 HE ARG A 86 0.072 5.768 14.788 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.932 3.136 16.056 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.179 3.191 17.653 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.001 5.831 16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.488 4.723 18.079 1.00 0.00 H new ATOM 1307 N THR A 87 -4.356 3.066 10.609 1.00 0.00 N ATOM 1308 CA THR A 87 -5.280 2.978 9.486 1.00 0.00 C ATOM 1309 C THR A 87 -4.757 3.753 8.282 1.00 0.00 C ATOM 1310 O THR A 87 -3.911 4.637 8.422 1.00 0.00 O ATOM 1311 CB THR A 87 -6.676 3.509 9.858 1.00 0.00 C ATOM 1312 OG1 THR A 87 -6.589 4.903 10.183 1.00 0.00 O ATOM 1313 CG2 THR A 87 -7.235 2.749 11.052 1.00 0.00 C ATOM 0 H THR A 87 -4.005 4.006 10.793 1.00 0.00 H new ATOM 0 HA THR A 87 -5.361 1.922 9.229 1.00 0.00 H new ATOM 0 HB THR A 87 -7.341 3.368 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.479 5.240 10.418 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.222 3.138 11.301 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.314 1.690 10.805 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.570 2.874 11.907 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.265 3.418 7.102 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.864 4.096 5.876 1.00 0.00 C ATOM 1323 C ALA A 88 -6.016 4.153 4.878 1.00 0.00 C ATOM 1324 O ALA A 88 -6.901 3.296 4.885 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.661 3.402 5.258 1.00 0.00 C ATOM 0 H ALA A 88 -5.956 2.680 6.968 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.587 5.119 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.373 3.919 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.829 3.420 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.917 2.368 5.025 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.999 5.167 4.019 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.982 5.279 2.949 1.00 0.00 C ATOM 1333 C LYS A 89 -6.312 5.651 1.629 1.00 0.00 C ATOM 1334 O LYS A 89 -5.542 6.608 1.561 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.051 6.313 3.308 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.187 6.420 2.300 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.276 7.362 2.791 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.401 7.487 1.775 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.506 8.352 2.270 1.00 0.00 N ATOM 0 H LYS A 89 -5.315 5.923 4.044 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.460 4.307 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.469 6.062 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.576 7.289 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.797 6.777 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.611 5.432 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.677 6.996 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.848 8.346 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.006 7.899 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.792 6.496 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.252 8.410 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.900 7.946 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.139 9.305 2.467 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.610 4.886 0.584 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.919 5.032 -0.692 1.00 0.00 C ATOM 1355 C VAL A 90 -6.878 5.474 -1.791 1.00 0.00 C ATOM 1356 O VAL A 90 -7.984 4.947 -1.910 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.235 3.719 -1.117 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.476 3.911 -2.422 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.297 3.228 -0.025 1.00 0.00 C ATOM 0 H VAL A 90 -7.325 4.159 0.596 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.157 5.798 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.007 2.965 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.999 2.973 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.170 4.218 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.715 4.680 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.823 2.299 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.531 3.981 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.864 3.051 0.889 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.448 6.443 -2.591 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.219 6.872 -3.753 1.00 0.00 C ATOM 1371 C GLU A 91 -6.382 6.776 -5.025 1.00 0.00 C ATOM 1372 O GLU A 91 -5.173 7.008 -5.006 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.727 8.302 -3.562 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.700 8.474 -2.403 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.171 9.898 -2.292 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.344 10.770 -2.174 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.349 10.125 -2.438 1.00 0.00 O ATOM 0 H GLU A 91 -5.571 6.946 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.076 6.207 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.873 8.960 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.214 8.627 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.557 7.815 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.217 8.175 -1.473 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.034 6.430 -6.130 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.359 6.343 -7.421 1.00 0.00 C ATOM 1386 C PHE A 92 -6.940 7.352 -8.407 1.00 0.00 C ATOM 1387 O PHE A 92 -8.137 7.340 -8.693 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.468 4.926 -7.987 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.816 3.879 -7.130 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.484 3.338 -6.042 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.533 3.433 -7.410 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.884 2.374 -5.253 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.932 2.470 -6.624 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.609 1.940 -5.544 1.00 0.00 C ATOM 0 H PHE A 92 -8.029 6.205 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.306 6.579 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.521 4.675 -8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.015 4.905 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.484 3.673 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.998 3.844 -8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.415 1.961 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.933 2.131 -6.854 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.140 1.187 -4.928 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.082 8.224 -8.926 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.521 9.287 -9.822 1.00 0.00 C ATOM 1406 C LEU A 93 -6.009 9.051 -11.240 1.00 0.00 C ATOM 1407 O LEU A 93 -4.811 8.867 -11.454 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.046 10.650 -9.301 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.474 10.986 -7.866 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -5.861 12.311 -7.436 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -7.992 11.042 -7.789 1.00 0.00 C ATOM 0 H LEU A 93 -5.079 8.215 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.611 9.282 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.958 10.683 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.422 11.427 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.118 10.210 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.170 12.541 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.774 12.240 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.199 13.102 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.296 11.281 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.363 11.810 -8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.407 10.075 -8.074 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.925 9.059 -12.204 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.559 8.905 -13.606 1.00 0.00 C ATOM 1425 C GLU A 94 -6.029 10.217 -14.177 1.00 0.00 C ATOM 1426 O GLU A 94 -6.720 11.234 -14.169 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.757 8.419 -14.425 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.451 8.155 -15.892 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.672 7.674 -16.627 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.705 7.559 -16.011 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.601 7.530 -17.824 1.00 0.00 O ATOM 0 H GLU A 94 -7.925 9.171 -12.039 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.767 8.158 -13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.141 7.503 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.551 9.163 -14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.079 9.068 -16.358 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.659 7.411 -15.972 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.795 10.185 -14.670 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.201 11.346 -15.322 1.00 0.00 C ATOM 1440 C ALA A 95 -3.965 11.081 -16.806 1.00 0.00 C ATOM 1441 O ALA A 95 -3.881 9.937 -17.250 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.898 11.727 -14.637 1.00 0.00 C ATOM 0 H ALA A 95 -4.187 9.367 -14.630 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.900 12.178 -15.235 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.466 12.595 -15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.093 11.967 -13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.200 10.892 -14.693 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.855 12.163 -17.590 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.580 12.074 -19.027 1.00 0.00 C ATOM 1450 C PRO A 96 -2.218 11.455 -19.319 1.00 0.00 C ATOM 1451 O PRO A 96 -2.023 10.825 -20.357 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.660 13.526 -19.508 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.400 14.338 -18.285 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.024 13.565 -17.154 1.00 0.00 C ATOM 0 HA PRO A 96 -4.287 11.422 -19.540 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.921 13.729 -20.284 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.638 13.750 -19.933 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.331 14.476 -18.124 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.840 15.332 -18.372 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.522 13.758 -16.206 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.074 13.823 -17.017 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.279 11.638 -18.397 1.00 0.00 N ATOM 1463 CA GLN A 97 0.090 11.179 -18.599 1.00 0.00 C ATOM 1464 C GLN A 97 0.336 9.864 -17.868 1.00 0.00 C ATOM 1465 O GLN A 97 1.355 9.206 -18.079 1.00 0.00 O ATOM 1466 CB GLN A 97 1.087 12.236 -18.117 1.00 0.00 C ATOM 1467 CG GLN A 97 1.005 13.556 -18.866 1.00 0.00 C ATOM 1468 CD GLN A 97 2.022 14.566 -18.371 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.888 14.246 -17.552 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.923 15.795 -18.863 1.00 0.00 N ATOM 0 H GLN A 97 -1.441 12.101 -17.503 1.00 0.00 H new ATOM 0 HA GLN A 97 0.235 11.016 -19.667 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.918 12.422 -17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.097 11.838 -18.214 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.163 13.377 -19.930 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.003 13.971 -18.757 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.192 16.017 -19.538 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.578 16.518 -18.566 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.602 9.487 -17.005 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.429 8.296 -16.194 1.00 0.00 C ATOM 1481 C GLY A 98 -1.493 8.165 -15.121 1.00 0.00 C ATOM 1482 O GLY A 98 -2.491 8.886 -15.134 1.00 0.00 O ATOM 0 H GLY A 98 -1.479 9.985 -16.853 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.455 7.416 -16.836 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.555 8.319 -15.725 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.280 7.240 -14.190 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.179 7.081 -13.052 1.00 0.00 C ATOM 1488 C VAL A 99 -1.474 7.418 -11.744 1.00 0.00 C ATOM 1489 O VAL A 99 -0.381 6.923 -11.468 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.739 5.649 -12.970 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.553 5.468 -11.698 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.589 5.337 -14.192 1.00 0.00 C ATOM 0 H VAL A 99 -0.494 6.590 -14.201 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.006 7.775 -13.204 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.900 4.953 -12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.941 4.450 -11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.918 5.650 -10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.384 6.174 -11.694 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.976 4.321 -14.116 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.421 6.039 -14.245 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.980 5.427 -15.091 1.00 0.00 H new ATOM 1502 N THR A 100 -2.108 8.266 -10.938 1.00 0.00 N ATOM 1503 CA THR A 100 -1.507 8.732 -9.695 1.00 0.00 C ATOM 1504 C THR A 100 -2.061 7.971 -8.496 1.00 0.00 C ATOM 1505 O THR A 100 -3.275 7.831 -8.345 1.00 0.00 O ATOM 1506 CB THR A 100 -1.738 10.240 -9.487 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.085 10.975 -10.530 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.190 10.682 -8.140 1.00 0.00 C ATOM 0 H THR A 100 -3.037 8.643 -11.125 1.00 0.00 H new ATOM 0 HA THR A 100 -0.436 8.546 -9.774 1.00 0.00 H new ATOM 0 HB THR A 100 -2.810 10.435 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.114 10.878 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.362 11.750 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.695 10.134 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.120 10.479 -8.098 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.166 7.482 -7.646 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.566 6.709 -6.475 1.00 0.00 C ATOM 1518 C VAL A 101 -1.339 7.499 -5.192 1.00 0.00 C ATOM 1519 O VAL A 101 -0.208 7.863 -4.866 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.799 5.375 -6.389 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.245 4.582 -5.170 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.002 4.561 -7.657 1.00 0.00 C ATOM 0 H VAL A 101 -0.159 7.607 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.630 6.498 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 101 0.264 5.595 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.693 3.643 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.050 5.161 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.312 4.373 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.453 3.622 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.063 4.351 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.635 5.125 -8.514 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.420 7.759 -4.466 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.349 8.558 -3.249 1.00 0.00 C ATOM 1534 C ARG A 102 -2.664 7.710 -2.021 1.00 0.00 C ATOM 1535 O ARG A 102 -3.747 7.134 -1.912 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.236 9.794 -3.318 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.387 10.547 -2.006 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.236 11.762 -2.093 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.654 12.851 -2.862 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.354 13.870 -3.395 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.662 13.927 -3.280 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.691 14.801 -4.061 1.00 0.00 N ATOM 0 H ARG A 102 -3.356 7.428 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.324 8.916 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.829 10.474 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.225 9.495 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.812 9.874 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.398 10.834 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.193 11.490 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.444 12.117 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.644 12.842 -3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.163 13.192 -2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.177 14.706 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.678 14.734 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.193 15.586 -4.477 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.711 7.637 -1.097 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.894 6.875 0.132 1.00 0.00 C ATOM 1558 C VAL A 103 -1.762 7.771 1.358 1.00 0.00 C ATOM 1559 O VAL A 103 -0.740 8.429 1.552 1.00 0.00 O ATOM 1560 CB VAL A 103 -0.880 5.721 0.238 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.085 4.950 1.533 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.004 4.791 -0.960 1.00 0.00 C ATOM 0 H VAL A 103 -0.804 8.097 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.900 6.458 0.097 1.00 0.00 H new ATOM 0 HB VAL A 103 0.124 6.144 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.360 4.138 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.948 5.621 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.094 4.538 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.280 3.981 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.011 4.375 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.810 5.349 -1.876 1.00 0.00 H new ATOM 1572 N SER A 104 -2.803 7.792 2.185 1.00 0.00 N ATOM 1573 CA SER A 104 -2.759 8.512 3.451 1.00 0.00 C ATOM 1574 C SER A 104 -2.902 7.553 4.628 1.00 0.00 C ATOM 1575 O SER A 104 -3.805 6.715 4.655 1.00 0.00 O ATOM 1576 CB SER A 104 -3.847 9.568 3.492 1.00 0.00 C ATOM 1577 OG SER A 104 -3.625 10.589 2.558 1.00 0.00 O ATOM 0 H SER A 104 -3.687 7.318 2.000 1.00 0.00 H new ATOM 0 HA SER A 104 -1.790 9.004 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.812 9.101 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.898 9.997 4.493 1.00 0.00 H new ATOM 0 HG SER A 104 -4.348 11.248 2.615 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.004 7.677 5.600 1.00 0.00 N ATOM 1584 CA PHE A 105 -1.962 6.754 6.727 1.00 0.00 C ATOM 1585 C PHE A 105 -1.628 7.489 8.021 1.00 0.00 C ATOM 1586 O PHE A 105 -1.012 8.555 8.001 1.00 0.00 O ATOM 1587 CB PHE A 105 -0.943 5.642 6.472 1.00 0.00 C ATOM 1588 CG PHE A 105 0.480 6.122 6.433 1.00 0.00 C ATOM 1589 CD1 PHE A 105 1.008 6.680 5.278 1.00 0.00 C ATOM 1590 CD2 PHE A 105 1.293 6.018 7.551 1.00 0.00 C ATOM 1591 CE1 PHE A 105 2.316 7.121 5.240 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.603 6.459 7.516 1.00 0.00 C ATOM 1593 CZ PHE A 105 3.114 7.011 6.360 1.00 0.00 C ATOM 0 H PHE A 105 -1.295 8.409 5.629 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.950 6.306 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.041 4.886 7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.179 5.156 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.389 6.771 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.899 5.588 8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.714 7.552 4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.226 6.371 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.137 7.356 6.332 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.042 6.914 9.147 1.00 0.00 N ATOM 1604 CA VAL A 106 -1.795 7.520 10.449 1.00 0.00 C ATOM 1605 C VAL A 106 -0.398 7.184 10.957 1.00 0.00 C ATOM 1606 O VAL A 106 0.041 6.037 10.886 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.834 7.061 11.491 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.545 7.693 12.845 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.241 7.412 11.030 1.00 0.00 C ATOM 0 H VAL A 106 -2.550 6.030 9.182 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.879 8.598 10.315 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.764 5.978 11.593 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.288 7.358 13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.552 7.396 13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.588 8.779 12.756 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.962 7.081 11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.323 8.491 10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.448 6.916 10.082 1.00 0.00 H new ATOM 1619 N ALA A 107 0.297 8.194 11.472 1.00 0.00 N ATOM 1620 CA ALA A 107 1.675 8.027 11.913 1.00 0.00 C ATOM 1621 C ALA A 107 1.744 7.211 13.201 1.00 0.00 C ATOM 1622 O ALA A 107 0.854 7.293 14.045 1.00 0.00 O ATOM 1623 CB ALA A 107 2.336 9.383 12.109 1.00 0.00 C ATOM 0 H ALA A 107 -0.073 9.137 11.594 1.00 0.00 H new ATOM 0 HA ALA A 107 2.214 7.482 11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.365 9.242 12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.329 9.931 11.167 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.788 9.949 12.862 1.00 0.00 H new ATOM 1629 N GLU A 108 2.808 6.427 13.343 1.00 0.00 N ATOM 1630 CA GLU A 108 3.053 5.688 14.575 1.00 0.00 C ATOM 1631 C GLU A 108 3.932 6.495 15.527 1.00 0.00 C ATOM 1632 O GLU A 108 4.984 7.004 15.137 1.00 0.00 O ATOM 1633 CB GLU A 108 3.703 4.336 14.271 1.00 0.00 C ATOM 1634 CG GLU A 108 2.851 3.407 13.419 1.00 0.00 C ATOM 1635 CD GLU A 108 3.569 2.117 13.133 1.00 0.00 C ATOM 1636 OE1 GLU A 108 4.647 2.167 12.592 1.00 0.00 O ATOM 1637 OE2 GLU A 108 3.094 1.090 13.557 1.00 0.00 O ATOM 0 H GLU A 108 3.514 6.288 12.620 1.00 0.00 H new ATOM 0 HA GLU A 108 2.093 5.512 15.060 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.651 4.509 13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.933 3.837 15.212 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.913 3.197 13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.598 3.901 12.481 1.00 0.00 H new ATOM 1644 N THR A 109 3.494 6.608 16.777 1.00 0.00 N ATOM 1645 CA THR A 109 4.214 7.396 17.770 1.00 0.00 C ATOM 1646 C THR A 109 5.606 6.826 18.021 1.00 0.00 C ATOM 1647 O THR A 109 6.498 7.530 18.493 1.00 0.00 O ATOM 1648 CB THR A 109 3.448 7.458 19.104 1.00 0.00 C ATOM 1649 OG1 THR A 109 3.288 6.134 19.630 1.00 0.00 O ATOM 1650 CG2 THR A 109 2.079 8.090 18.905 1.00 0.00 C ATOM 0 H THR A 109 2.644 6.164 17.126 1.00 0.00 H new ATOM 0 HA THR A 109 4.305 8.404 17.366 1.00 0.00 H new ATOM 0 HB THR A 109 4.019 8.067 19.804 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.802 6.176 20.480 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.552 8.125 19.859 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.198 9.102 18.519 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.504 7.496 18.195 1.00 0.00 H new ATOM 1658 N GLU A 110 5.784 5.548 17.699 1.00 0.00 N ATOM 1659 CA GLU A 110 7.048 4.866 17.955 1.00 0.00 C ATOM 1660 C GLU A 110 8.089 5.239 16.904 1.00 0.00 C ATOM 1661 O GLU A 110 9.288 5.041 17.105 1.00 0.00 O ATOM 1662 CB GLU A 110 6.843 3.350 17.982 1.00 0.00 C ATOM 1663 CG GLU A 110 5.999 2.850 19.147 1.00 0.00 C ATOM 1664 CD GLU A 110 5.809 1.361 19.082 1.00 0.00 C ATOM 1665 OE1 GLU A 110 6.324 0.753 18.175 1.00 0.00 O ATOM 1666 OE2 GLU A 110 5.244 0.815 20.001 1.00 0.00 O ATOM 0 H GLU A 110 5.070 4.965 17.261 1.00 0.00 H new ATOM 0 HA GLU A 110 7.414 5.187 18.930 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.371 3.043 17.049 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.818 2.864 18.021 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.480 3.117 20.088 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.027 3.344 19.134 1.00 0.00 H new ATOM 1673 N TYR A 111 7.623 5.778 15.783 1.00 0.00 N ATOM 1674 CA TYR A 111 8.506 6.114 14.673 1.00 0.00 C ATOM 1675 C TYR A 111 8.316 7.566 14.246 1.00 0.00 C ATOM 1676 O TYR A 111 7.216 8.117 14.301 1.00 0.00 O ATOM 1677 CB TYR A 111 8.257 5.180 13.487 1.00 0.00 C ATOM 1678 CG TYR A 111 8.492 3.719 13.799 1.00 0.00 C ATOM 1679 CD1 TYR A 111 9.743 3.146 13.620 1.00 0.00 C ATOM 1680 CD2 TYR A 111 7.463 2.915 14.268 1.00 0.00 C ATOM 1681 CE1 TYR A 111 9.963 1.812 13.903 1.00 0.00 C ATOM 1682 CE2 TYR A 111 7.672 1.580 14.555 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.926 1.031 14.370 1.00 0.00 C ATOM 1684 OH TYR A 111 9.140 -0.297 14.653 1.00 0.00 O ATOM 0 H TYR A 111 6.639 5.991 15.619 1.00 0.00 H new ATOM 0 HA TYR A 111 9.534 5.986 15.011 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.230 5.308 13.145 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.906 5.475 12.662 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.558 3.753 13.254 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.481 3.341 14.411 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.943 1.382 13.759 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.860 0.969 14.922 1.00 0.00 H new ATOM 0 HH TYR A 111 8.307 -0.702 14.973 1.00 0.00 H new ATOM 1694 N PRO A 112 9.414 8.202 13.810 1.00 0.00 N ATOM 1695 CA PRO A 112 9.387 9.588 13.327 1.00 0.00 C ATOM 1696 C PRO A 112 8.447 9.771 12.142 1.00 0.00 C ATOM 1697 O PRO A 112 8.364 8.911 11.264 1.00 0.00 O ATOM 1698 CB PRO A 112 10.844 9.873 12.948 1.00 0.00 C ATOM 1699 CG PRO A 112 11.635 8.896 13.748 1.00 0.00 C ATOM 1700 CD PRO A 112 10.795 7.648 13.799 1.00 0.00 C ATOM 0 HA PRO A 112 9.006 10.278 14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.010 9.738 11.879 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.123 10.899 13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.602 8.700 13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.833 9.277 14.750 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.969 7.004 12.937 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.003 7.053 14.688 1.00 0.00 H new ATOM 1708 N VAL A 113 7.741 10.896 12.121 1.00 0.00 N ATOM 1709 CA VAL A 113 6.839 11.212 11.021 1.00 0.00 C ATOM 1710 C VAL A 113 7.576 11.209 9.686 1.00 0.00 C ATOM 1711 O VAL A 113 7.087 10.661 8.698 1.00 0.00 O ATOM 1712 CB VAL A 113 6.164 12.583 11.220 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.413 12.995 9.962 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.220 12.543 12.413 1.00 0.00 C ATOM 0 H VAL A 113 7.776 11.604 12.854 1.00 0.00 H new ATOM 0 HA VAL A 113 6.072 10.438 11.011 1.00 0.00 H new ATOM 0 HB VAL A 113 6.939 13.323 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.943 13.965 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.111 13.062 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.647 12.253 9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.752 13.519 12.539 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.450 11.791 12.243 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.781 12.291 13.313 1.00 0.00 H new ATOM 1724 N GLU A 114 8.754 11.823 9.665 1.00 0.00 N ATOM 1725 CA GLU A 114 9.533 11.937 8.438 1.00 0.00 C ATOM 1726 C GLU A 114 9.892 10.559 7.892 1.00 0.00 C ATOM 1727 O GLU A 114 9.746 10.296 6.697 1.00 0.00 O ATOM 1728 CB GLU A 114 10.802 12.756 8.683 1.00 0.00 C ATOM 1729 CG GLU A 114 11.665 12.964 7.446 1.00 0.00 C ATOM 1730 CD GLU A 114 12.865 13.815 7.754 1.00 0.00 C ATOM 1731 OE1 GLU A 114 13.002 14.232 8.878 1.00 0.00 O ATOM 1732 OE2 GLU A 114 13.704 13.957 6.895 1.00 0.00 O ATOM 0 H GLU A 114 9.190 12.249 10.483 1.00 0.00 H new ATOM 0 HA GLU A 114 8.922 12.451 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.520 13.730 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.399 12.259 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.991 11.998 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.073 13.436 6.662 1.00 0.00 H new ATOM 1739 N GLN A 115 10.365 9.683 8.773 1.00 0.00 N ATOM 1740 CA GLN A 115 10.837 8.366 8.363 1.00 0.00 C ATOM 1741 C GLN A 115 9.683 7.501 7.869 1.00 0.00 C ATOM 1742 O GLN A 115 9.846 6.701 6.950 1.00 0.00 O ATOM 1743 CB GLN A 115 11.551 7.666 9.523 1.00 0.00 C ATOM 1744 CG GLN A 115 12.901 8.267 9.877 1.00 0.00 C ATOM 1745 CD GLN A 115 13.610 7.493 10.972 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.085 6.504 11.492 1.00 0.00 O ATOM 1747 NE2 GLN A 115 14.808 7.940 11.331 1.00 0.00 N ATOM 0 H GLN A 115 10.431 9.862 9.775 1.00 0.00 H new ATOM 0 HA GLN A 115 11.542 8.505 7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.909 7.699 10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 115 11.689 6.615 9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 115 13.530 8.290 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.763 9.300 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.204 8.762 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.332 7.462 12.064 1.00 0.00 H new ATOM 1756 N GLN A 116 8.518 7.670 8.488 1.00 0.00 N ATOM 1757 CA GLN A 116 7.328 6.926 8.090 1.00 0.00 C ATOM 1758 C GLN A 116 6.860 7.352 6.701 1.00 0.00 C ATOM 1759 O GLN A 116 6.469 6.518 5.886 1.00 0.00 O ATOM 1760 CB GLN A 116 6.200 7.133 9.104 1.00 0.00 C ATOM 1761 CG GLN A 116 6.449 6.480 10.453 1.00 0.00 C ATOM 1762 CD GLN A 116 6.270 4.974 10.409 1.00 0.00 C ATOM 1763 OE1 GLN A 116 6.876 4.287 9.583 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.432 4.453 11.298 1.00 0.00 N ATOM 0 H GLN A 116 8.373 8.314 9.265 1.00 0.00 H new ATOM 0 HA GLN A 116 7.589 5.868 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.051 8.203 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.274 6.737 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.461 6.713 10.785 1.00 0.00 H new ATOM 0 HG3 GLN A 116 5.766 6.903 11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.952 5.060 11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.268 3.446 11.316 1.00 0.00 H new ATOM 1773 N GLN A 117 6.902 8.655 6.443 1.00 0.00 N ATOM 1774 CA GLN A 117 6.566 9.182 5.126 1.00 0.00 C ATOM 1775 C GLN A 117 7.473 8.588 4.054 1.00 0.00 C ATOM 1776 O GLN A 117 7.006 8.171 2.993 1.00 0.00 O ATOM 1777 CB GLN A 117 6.679 10.709 5.113 1.00 0.00 C ATOM 1778 CG GLN A 117 6.323 11.349 3.782 1.00 0.00 C ATOM 1779 CD GLN A 117 6.424 12.861 3.823 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.841 13.444 4.828 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.038 13.509 2.729 1.00 0.00 N ATOM 0 H GLN A 117 7.165 9.364 7.127 1.00 0.00 H new ATOM 0 HA GLN A 117 5.536 8.900 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.027 11.117 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.699 10.989 5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.987 10.964 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.309 11.063 3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.700 12.988 1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.080 14.528 2.698 1.00 0.00 H new ATOM 1790 N GLN A 118 8.771 8.553 4.336 1.00 0.00 N ATOM 1791 CA GLN A 118 9.746 8.036 3.384 1.00 0.00 C ATOM 1792 C GLN A 118 9.526 6.548 3.132 1.00 0.00 C ATOM 1793 O GLN A 118 9.660 6.073 2.004 1.00 0.00 O ATOM 1794 CB GLN A 118 11.171 8.271 3.893 1.00 0.00 C ATOM 1795 CG GLN A 118 11.610 9.726 3.866 1.00 0.00 C ATOM 1796 CD GLN A 118 12.987 9.925 4.469 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.600 8.983 4.978 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.480 11.158 4.419 1.00 0.00 N ATOM 0 H GLN A 118 9.172 8.877 5.216 1.00 0.00 H new ATOM 0 HA GLN A 118 9.612 8.572 2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.246 7.900 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.862 7.683 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.612 10.083 2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.886 10.331 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.938 11.907 3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.401 11.355 4.811 1.00 0.00 H new ATOM 1807 N GLY A 119 9.187 5.817 4.189 1.00 0.00 N ATOM 1808 CA GLY A 119 8.981 4.386 4.065 1.00 0.00 C ATOM 1809 C GLY A 119 7.810 4.044 3.165 1.00 0.00 C ATOM 1810 O GLY A 119 7.934 3.212 2.266 1.00 0.00 O ATOM 0 H GLY A 119 9.051 6.190 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.886 3.925 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.812 3.959 5.054 1.00 0.00 H new ATOM 1814 N TRP A 120 6.674 4.684 3.407 1.00 0.00 N ATOM 1815 CA TRP A 120 5.478 4.451 2.603 1.00 0.00 C ATOM 1816 C TRP A 120 5.681 4.940 1.173 1.00 0.00 C ATOM 1817 O TRP A 120 5.177 4.338 0.226 1.00 0.00 O ATOM 1818 CB TRP A 120 4.268 5.144 3.230 1.00 0.00 C ATOM 1819 CG TRP A 120 3.400 4.223 4.034 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.130 3.831 3.733 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.738 3.580 5.268 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.655 2.983 4.703 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.626 2.813 5.657 1.00 0.00 C ATOM 1824 CE3 TRP A 120 4.877 3.578 6.082 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 2.614 2.055 6.818 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 4.866 2.817 7.246 1.00 0.00 C ATOM 1827 CH2 TRP A 120 3.766 2.079 7.603 1.00 0.00 C ATOM 0 H TRP A 120 6.554 5.369 4.153 1.00 0.00 H new ATOM 0 HA TRP A 120 5.293 3.377 2.576 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.615 5.954 3.871 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.669 5.597 2.440 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.577 4.142 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.731 2.550 4.713 1.00 0.00 H new ATOM 0 HE3 TRP A 120 5.748 4.157 5.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.750 1.472 7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.740 2.807 7.881 1.00 0.00 H new ATOM 0 HH2 TRP A 120 3.793 1.502 8.515 1.00 0.00 H new ATOM 1838 N GLN A 121 6.422 6.034 1.025 1.00 0.00 N ATOM 1839 CA GLN A 121 6.787 6.536 -0.294 1.00 0.00 C ATOM 1840 C GLN A 121 7.681 5.541 -1.027 1.00 0.00 C ATOM 1841 O GLN A 121 7.516 5.310 -2.225 1.00 0.00 O ATOM 1842 CB GLN A 121 7.499 7.886 -0.178 1.00 0.00 C ATOM 1843 CG GLN A 121 7.830 8.532 -1.512 1.00 0.00 C ATOM 1844 CD GLN A 121 6.590 8.946 -2.279 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.737 9.673 -1.763 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.479 8.482 -3.519 1.00 0.00 N ATOM 0 H GLN A 121 6.781 6.589 1.802 1.00 0.00 H new ATOM 0 HA GLN A 121 5.869 6.667 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.871 8.567 0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.422 7.750 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.458 9.407 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.411 7.835 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.208 7.883 -3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.665 8.724 -4.083 1.00 0.00 H new ATOM 1855 N ALA A 122 8.626 4.954 -0.300 1.00 0.00 N ATOM 1856 CA ALA A 122 9.534 3.973 -0.878 1.00 0.00 C ATOM 1857 C ALA A 122 8.777 2.738 -1.355 1.00 0.00 C ATOM 1858 O ALA A 122 9.132 2.134 -2.367 1.00 0.00 O ATOM 1859 CB ALA A 122 10.600 3.580 0.135 1.00 0.00 C ATOM 0 H ALA A 122 8.782 5.141 0.690 1.00 0.00 H new ATOM 0 HA ALA A 122 10.018 4.428 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.272 2.846 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.169 4.463 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.124 3.149 1.016 1.00 0.00 H new ATOM 1865 N ILE A 123 7.732 2.370 -0.622 1.00 0.00 N ATOM 1866 CA ILE A 123 6.883 1.251 -1.011 1.00 0.00 C ATOM 1867 C ILE A 123 6.183 1.526 -2.338 1.00 0.00 C ATOM 1868 O ILE A 123 6.148 0.672 -3.223 1.00 0.00 O ATOM 1869 CB ILE A 123 5.826 0.943 0.064 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.493 0.401 1.330 1.00 0.00 C ATOM 1871 CG2 ILE A 123 4.799 -0.047 -0.466 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.572 0.336 2.527 1.00 0.00 C ATOM 0 H ILE A 123 7.453 2.830 0.244 1.00 0.00 H new ATOM 0 HA ILE A 123 7.535 0.385 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 123 5.310 1.869 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.879 -0.598 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.349 1.030 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.059 -0.253 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.302 0.376 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.299 -0.974 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.117 -0.058 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.205 1.336 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.729 -0.317 2.302 1.00 0.00 H new ATOM 1884 N LEU A 124 5.627 2.725 -2.469 1.00 0.00 N ATOM 1885 CA LEU A 124 5.000 3.146 -3.717 1.00 0.00 C ATOM 1886 C LEU A 124 6.041 3.313 -4.819 1.00 0.00 C ATOM 1887 O LEU A 124 5.771 3.039 -5.988 1.00 0.00 O ATOM 1888 CB LEU A 124 4.224 4.453 -3.508 1.00 0.00 C ATOM 1889 CG LEU A 124 2.975 4.337 -2.625 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.363 5.713 -2.403 1.00 0.00 C ATOM 1891 CD2 LEU A 124 1.972 3.400 -3.281 1.00 0.00 C ATOM 0 H LEU A 124 5.597 3.423 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 124 4.300 2.370 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.895 5.189 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 124 3.926 4.840 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 124 3.254 3.927 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.477 5.620 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.090 6.360 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.083 6.146 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.085 3.319 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.690 3.795 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.421 2.415 -3.404 1.00 0.00 H new ATOM 1903 N ASN A 125 7.231 3.765 -4.438 1.00 0.00 N ATOM 1904 CA ASN A 125 8.330 3.918 -5.385 1.00 0.00 C ATOM 1905 C ASN A 125 8.772 2.562 -5.929 1.00 0.00 C ATOM 1906 O ASN A 125 9.107 2.435 -7.106 1.00 0.00 O ATOM 1907 CB ASN A 125 9.507 4.643 -4.758 1.00 0.00 C ATOM 1908 CG ASN A 125 9.242 6.097 -4.478 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.267 6.677 -4.969 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.150 6.707 -3.758 1.00 0.00 N ATOM 0 H ASN A 125 7.459 4.032 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 125 7.964 4.524 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.774 4.145 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.368 4.561 -5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.071 7.708 -3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 125 10.936 6.181 -3.376 1.00 0.00 H new ATOM 1917 N ASN A 126 8.767 1.555 -5.064 1.00 0.00 N ATOM 1918 CA ASN A 126 9.022 0.183 -5.487 1.00 0.00 C ATOM 1919 C ASN A 126 7.915 -0.317 -6.409 1.00 0.00 C ATOM 1920 O ASN A 126 8.173 -1.033 -7.377 1.00 0.00 O ATOM 1921 CB ASN A 126 9.179 -0.748 -4.299 1.00 0.00 C ATOM 1922 CG ASN A 126 10.484 -0.586 -3.571 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.497 -0.183 -4.155 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.486 -0.975 -2.322 1.00 0.00 N ATOM 0 H ASN A 126 8.589 1.662 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 126 9.962 0.184 -6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.360 -0.573 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.091 -1.779 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.352 -0.954 -1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.622 -1.299 -1.887 1.00 0.00 H new ATOM 1931 N PHE A 127 6.680 0.066 -6.103 1.00 0.00 N ATOM 1932 CA PHE A 127 5.548 -0.230 -6.974 1.00 0.00 C ATOM 1933 C PHE A 127 5.741 0.403 -8.349 1.00 0.00 C ATOM 1934 O PHE A 127 5.447 -0.209 -9.375 1.00 0.00 O ATOM 1935 CB PHE A 127 4.244 0.262 -6.342 1.00 0.00 C ATOM 1936 CG PHE A 127 3.020 -0.065 -7.150 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.113 -0.845 -8.293 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.773 0.406 -6.767 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.987 -1.146 -9.036 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.646 0.105 -7.508 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.754 -0.671 -8.644 1.00 0.00 C ATOM 0 H PHE A 127 6.437 0.583 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 127 5.490 -1.311 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.142 -0.179 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.301 1.342 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.076 -1.221 -8.606 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.682 1.015 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.073 -1.754 -9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.319 0.477 -7.198 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.126 -0.906 -9.225 1.00 0.00 H new ATOM 1951 N LYS A 128 6.239 1.636 -8.361 1.00 0.00 N ATOM 1952 CA LYS A 128 6.541 2.326 -9.609 1.00 0.00 C ATOM 1953 C LYS A 128 7.551 1.540 -10.436 1.00 0.00 C ATOM 1954 O LYS A 128 7.364 1.339 -11.636 1.00 0.00 O ATOM 1955 CB LYS A 128 7.070 3.734 -9.329 1.00 0.00 C ATOM 1956 CG LYS A 128 7.391 4.545 -10.578 1.00 0.00 C ATOM 1957 CD LYS A 128 7.817 5.962 -10.222 1.00 0.00 C ATOM 1958 CE LYS A 128 8.010 6.811 -11.470 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.312 6.536 -12.135 1.00 0.00 N ATOM 0 H LYS A 128 6.442 2.177 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 128 5.617 2.405 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.331 4.276 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.970 3.656 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.186 4.054 -11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.516 4.578 -11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.064 6.420 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.746 5.933 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.197 6.617 -12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.955 7.866 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.457 7.215 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.082 6.631 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.309 5.569 -12.519 1.00 0.00 H new ATOM 1973 N ARG A 129 8.621 1.093 -9.786 1.00 0.00 N ATOM 1974 CA ARG A 129 9.638 0.288 -10.451 1.00 0.00 C ATOM 1975 C ARG A 129 9.044 -1.015 -10.979 1.00 0.00 C ATOM 1976 O ARG A 129 9.446 -1.511 -12.032 1.00 0.00 O ATOM 1977 CB ARG A 129 10.844 0.033 -9.558 1.00 0.00 C ATOM 1978 CG ARG A 129 11.606 1.279 -9.139 1.00 0.00 C ATOM 1979 CD ARG A 129 12.234 2.020 -10.263 1.00 0.00 C ATOM 1980 NE ARG A 129 13.143 3.078 -9.855 1.00 0.00 N ATOM 1981 CZ ARG A 129 13.665 4.002 -10.686 1.00 0.00 C ATOM 1982 NH1 ARG A 129 13.404 3.979 -11.974 1.00 0.00 N ATOM 1983 NH2 ARG A 129 14.470 4.918 -10.174 1.00 0.00 N ATOM 0 H ARG A 129 8.806 1.275 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 129 9.999 0.862 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.510 -0.489 -8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.529 -0.636 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 129 10.924 1.948 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 129 12.382 0.994 -8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.778 1.313 -10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 129 11.447 2.453 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 129 13.404 3.125 -8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.798 3.254 -12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 129 13.807 4.686 -12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 129 14.680 4.912 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 129 14.881 5.631 -10.777 1.00 0.00 H new ATOM 1997 N HIS A 130 8.083 -1.562 -10.241 1.00 0.00 N ATOM 1998 CA HIS A 130 7.370 -2.756 -10.680 1.00 0.00 C ATOM 1999 C HIS A 130 6.610 -2.491 -11.975 1.00 0.00 C ATOM 2000 O HIS A 130 6.639 -3.301 -12.901 1.00 0.00 O ATOM 2001 CB HIS A 130 6.404 -3.241 -9.593 1.00 0.00 C ATOM 2002 CG HIS A 130 5.720 -4.531 -9.929 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.346 -5.754 -9.822 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.466 -4.785 -10.369 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.505 -6.708 -10.182 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.358 -6.146 -10.519 1.00 0.00 N ATOM 0 H HIS A 130 7.781 -1.198 -9.337 1.00 0.00 H new ATOM 0 HA HIS A 130 8.108 -3.536 -10.866 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.953 -3.363 -8.659 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.649 -2.474 -9.421 1.00 0.00 H new ATOM 0 HD1 HIS A 130 7.307 -5.900 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.695 -4.055 -10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.719 -7.766 -10.198 1.00 0.00 H new ATOM 2013 N VAL A 131 5.930 -1.351 -12.033 1.00 0.00 N ATOM 2014 CA VAL A 131 5.243 -0.931 -13.250 1.00 0.00 C ATOM 2015 C VAL A 131 6.228 -0.746 -14.400 1.00 0.00 C ATOM 2016 O VAL A 131 5.950 -1.136 -15.534 1.00 0.00 O ATOM 2017 CB VAL A 131 4.466 0.381 -13.036 1.00 0.00 C ATOM 2018 CG1 VAL A 131 3.959 0.922 -14.364 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.308 0.164 -12.073 1.00 0.00 C ATOM 0 H VAL A 131 5.840 -0.701 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 131 4.537 -1.722 -13.503 1.00 0.00 H new ATOM 0 HB VAL A 131 5.144 1.115 -12.600 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.412 1.849 -14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.804 1.115 -15.025 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.297 0.190 -14.826 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.770 1.102 -11.934 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.630 -0.586 -12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.693 -0.180 -11.113 1.00 0.00 H new ATOM 2029 N GLU A 132 7.378 -0.152 -14.100 1.00 0.00 N ATOM 2030 CA GLU A 132 8.391 0.106 -15.114 1.00 0.00 C ATOM 2031 C GLU A 132 8.906 -1.199 -15.715 1.00 0.00 C ATOM 2032 O GLU A 132 9.307 -1.245 -16.877 1.00 0.00 O ATOM 2033 CB GLU A 132 9.552 0.908 -14.521 1.00 0.00 C ATOM 2034 CG GLU A 132 9.225 2.366 -14.229 1.00 0.00 C ATOM 2035 CD GLU A 132 10.387 3.069 -13.586 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.385 2.432 -13.350 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.320 4.266 -13.433 1.00 0.00 O ATOM 0 H GLU A 132 7.631 0.160 -13.162 1.00 0.00 H new ATOM 0 HA GLU A 132 7.930 0.692 -15.909 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.874 0.428 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.395 0.869 -15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.958 2.874 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.356 2.422 -13.574 1.00 0.00 H new ATOM 2044 N SER A 133 8.891 -2.259 -14.913 1.00 0.00 N ATOM 2045 CA SER A 133 9.339 -3.569 -15.369 1.00 0.00 C ATOM 2046 C SER A 133 8.292 -4.217 -16.270 1.00 0.00 C ATOM 2047 O SER A 133 8.575 -5.194 -16.966 1.00 0.00 O ATOM 2048 CB SER A 133 9.645 -4.461 -14.182 1.00 0.00 C ATOM 2049 OG SER A 133 8.481 -4.865 -13.514 1.00 0.00 O ATOM 0 H SER A 133 8.573 -2.236 -13.944 1.00 0.00 H new ATOM 0 HA SER A 133 10.251 -3.437 -15.951 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.192 -5.341 -14.521 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.295 -3.929 -13.487 1.00 0.00 H new ATOM 0 HG SER A 133 7.958 -4.076 -13.262 1.00 0.00 H new ATOM 2055 N HIS A 134 7.083 -3.667 -16.252 1.00 0.00 N ATOM 2056 CA HIS A 134 6.005 -4.163 -17.101 1.00 0.00 C ATOM 2057 C HIS A 134 5.929 -3.365 -18.400 1.00 0.00 C ATOM 2058 O HIS A 134 4.981 -3.508 -19.175 1.00 0.00 O ATOM 2059 CB HIS A 134 4.661 -4.101 -16.367 1.00 0.00 C ATOM 2060 CG HIS A 134 4.529 -5.111 -15.269 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.575 -6.470 -15.500 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.352 -4.961 -13.936 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.432 -7.113 -14.354 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.294 -6.220 -13.391 1.00 0.00 N ATOM 0 H HIS A 134 6.824 -2.878 -15.659 1.00 0.00 H new ATOM 0 HA HIS A 134 6.221 -5.204 -17.343 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.531 -3.103 -15.948 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.856 -4.252 -17.087 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.271 -4.026 -13.401 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.429 -8.185 -14.227 1.00 0.00 H new ATOM 0 HE2 HIS A 134 4.165 -6.431 -12.402 1.00 0.00 H new ATOM 2071 N LEU A 135 6.931 -2.525 -18.633 1.00 0.00 N ATOM 2072 CA LEU A 135 7.045 -1.799 -19.892 1.00 0.00 C ATOM 2073 C LEU A 135 7.948 -2.541 -20.870 1.00 0.00 C ATOM 2074 O LEU A 135 7.724 -3.714 -21.167 1.00 0.00 O ATOM 2075 CB LEU A 135 7.577 -0.382 -19.642 1.00 0.00 C ATOM 2076 CG LEU A 135 6.758 0.457 -18.651 1.00 0.00 C ATOM 2077 CD1 LEU A 135 7.425 1.810 -18.437 1.00 0.00 C ATOM 2078 CD2 LEU A 135 5.343 0.632 -19.180 1.00 0.00 C ATOM 0 H LEU A 135 7.677 -2.330 -17.965 1.00 0.00 H new ATOM 0 HA LEU A 135 6.052 -1.728 -20.336 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.600 -0.455 -19.273 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.618 0.147 -20.594 1.00 0.00 H new ATOM 0 HG LEU A 135 6.712 -0.057 -17.691 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.837 2.398 -17.733 1.00 0.00 H new ATOM 0 HD12 LEU A 135 8.428 1.662 -18.037 1.00 0.00 H new ATOM 0 HD13 LEU A 135 7.488 2.339 -19.388 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.762 1.228 -18.476 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.375 1.139 -20.144 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.876 -0.346 -19.300 1.00 0.00 H new ATOM 2090 N GLU A 136 8.971 -1.851 -21.365 1.00 0.00 N ATOM 2091 CA GLU A 136 9.879 -2.431 -22.349 1.00 0.00 C ATOM 2092 C GLU A 136 10.824 -3.432 -21.692 1.00 0.00 C ATOM 2093 O GLU A 136 12.008 -3.153 -21.503 1.00 0.00 O ATOM 2094 CB GLU A 136 10.678 -1.335 -23.055 1.00 0.00 C ATOM 2095 CG GLU A 136 11.447 -1.807 -24.281 1.00 0.00 C ATOM 2096 CD GLU A 136 12.123 -0.659 -24.978 1.00 0.00 C ATOM 2097 OE1 GLU A 136 11.891 0.462 -24.596 1.00 0.00 O ATOM 2098 OE2 GLU A 136 12.956 -0.908 -25.817 1.00 0.00 O ATOM 0 H GLU A 136 9.192 -0.891 -21.101 1.00 0.00 H new ATOM 0 HA GLU A 136 9.280 -2.959 -23.091 1.00 0.00 H new ATOM 0 HB2 GLU A 136 9.995 -0.540 -23.354 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.382 -0.901 -22.345 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.193 -2.544 -23.983 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.765 -2.304 -24.971 1.00 0.00 H new ATOM 2105 N HIS A 137 10.292 -4.600 -21.345 1.00 0.00 N ATOM 2106 CA HIS A 137 11.096 -5.658 -20.745 1.00 0.00 C ATOM 2107 C HIS A 137 12.124 -6.189 -21.739 1.00 0.00 C ATOM 2108 O HIS A 137 11.839 -6.323 -22.930 1.00 0.00 O ATOM 2109 CB HIS A 137 10.206 -6.801 -20.247 1.00 0.00 C ATOM 2110 CG HIS A 137 10.925 -7.796 -19.392 1.00 0.00 C ATOM 2111 ND1 HIS A 137 11.733 -8.783 -19.918 1.00 0.00 N ATOM 2112 CD2 HIS A 137 10.959 -7.958 -18.049 1.00 0.00 C ATOM 2113 CE1 HIS A 137 12.233 -9.508 -18.933 1.00 0.00 C ATOM 2114 NE2 HIS A 137 11.780 -9.029 -17.789 1.00 0.00 N ATOM 0 H HIS A 137 9.308 -4.837 -21.469 1.00 0.00 H new ATOM 0 HA HIS A 137 11.626 -5.232 -19.893 1.00 0.00 H new ATOM 0 HB2 HIS A 137 9.375 -6.382 -19.680 1.00 0.00 H new ATOM 0 HB3 HIS A 137 9.777 -7.317 -21.106 1.00 0.00 H new ATOM 0 HD2 HIS A 137 10.438 -7.358 -17.318 1.00 0.00 H new ATOM 0 HE1 HIS A 137 12.900 -10.350 -19.045 1.00 0.00 H new ATOM 0 HE2 HIS A 137 12.003 -9.394 -16.863 1.00 0.00 H new ATOM 2121 N HIS A 138 13.320 -6.489 -21.243 1.00 0.00 N ATOM 2122 CA HIS A 138 14.403 -6.972 -22.095 1.00 0.00 C ATOM 2123 C HIS A 138 14.781 -8.404 -21.730 1.00 0.00 C ATOM 2124 O HIS A 138 15.753 -8.603 -21.003 1.00 0.00 O ATOM 2125 CB HIS A 138 15.628 -6.059 -21.985 1.00 0.00 C ATOM 2126 CG HIS A 138 15.366 -4.647 -22.410 1.00 0.00 C ATOM 2127 ND1 HIS A 138 15.411 -4.245 -23.728 1.00 0.00 N ATOM 2128 CD2 HIS A 138 15.057 -3.542 -21.690 1.00 0.00 C ATOM 2129 CE1 HIS A 138 15.140 -2.954 -23.801 1.00 0.00 C ATOM 2130 NE2 HIS A 138 14.921 -2.505 -22.579 1.00 0.00 N ATOM 0 H HIS A 138 13.565 -6.407 -20.256 1.00 0.00 H new ATOM 0 HA HIS A 138 14.050 -6.958 -23.126 1.00 0.00 H new ATOM 0 HB2 HIS A 138 15.979 -6.059 -20.953 1.00 0.00 H new ATOM 0 HB3 HIS A 138 16.432 -6.470 -22.595 1.00 0.00 H new ATOM 0 HD2 HIS A 138 14.940 -3.487 -20.618 1.00 0.00 H new ATOM 0 HE1 HIS A 138 15.104 -2.366 -24.706 1.00 0.00 H new ATOM 0 HE2 HIS A 138 14.688 -1.542 -22.335 1.00 0.00 H new TER 2137 HIS A 138