USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 5 GLN : amide:sc= 0 X(o=-2,f=-2) USER MOD Set 1.2: A 81 THR OG1 : rot -120:sc= -1.96! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.23 (180deg=-0.0453) USER MOD Single : A 2 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0182) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.254) USER MOD Single : A 13 ASN : amide:sc= -10.7! C(o=-11!,f=-7.4!) USER MOD Single : A 15 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1.8!) USER MOD Single : A 16 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.2) USER MOD Single : A 21 THR OG1 : rot -64:sc= 0.973 USER MOD Single : A 28 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-0.0013) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -1.41 (180deg=-2.02) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 48 GLN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 63 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -20.3! C(o=-20!,f=-20!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.16 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -2.16! (180deg=-2.27!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-3.3) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -3.3 K(o=-3.3,f=-5!) USER MOD Single : A 105 MET CE :methyl -128:sc= -0.659 (180deg=-0.712) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.1) USER MOD Single : A 119 ASN : amide:sc= -7.17! C(o=-7.2!,f=-9.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 8OG O3' : rot 180:sc= -0.863 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.167 -24.512 -0.288 1.00 0.00 N ATOM 2 CA MET A 1 -6.923 -23.820 -0.715 1.00 0.00 C ATOM 3 C MET A 1 -7.195 -22.360 -1.065 1.00 0.00 C ATOM 4 O MET A 1 -6.732 -21.859 -2.089 1.00 0.00 O ATOM 5 CB MET A 1 -6.349 -24.556 -1.928 1.00 0.00 C ATOM 6 CG MET A 1 -7.282 -24.572 -3.128 1.00 0.00 C ATOM 7 SD MET A 1 -8.188 -26.124 -3.281 1.00 0.00 S ATOM 8 CE MET A 1 -8.315 -26.268 -5.062 1.00 0.00 C ATOM 0 H1 MET A 1 -8.051 -24.867 0.683 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.964 -23.845 -0.320 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.357 -25.310 -0.927 1.00 0.00 H new ATOM 0 HA MET A 1 -6.207 -23.832 0.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.409 -24.086 -2.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.119 -25.583 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.991 -23.748 -3.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.703 -24.402 -4.036 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.852 -27.182 -5.316 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.854 -25.408 -5.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.316 -26.302 -5.496 1.00 0.00 H new ATOM 20 N LYS A 2 -7.951 -21.682 -0.205 1.00 0.00 N ATOM 21 CA LYS A 2 -8.284 -20.279 -0.424 1.00 0.00 C ATOM 22 C LYS A 2 -7.163 -19.370 0.068 1.00 0.00 C ATOM 23 O LYS A 2 -6.888 -19.299 1.266 1.00 0.00 O ATOM 24 CB LYS A 2 -9.593 -19.927 0.283 1.00 0.00 C ATOM 25 CG LYS A 2 -10.462 -18.955 -0.499 1.00 0.00 C ATOM 26 CD LYS A 2 -11.644 -18.474 0.327 1.00 0.00 C ATOM 27 CE LYS A 2 -12.891 -19.298 0.048 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.041 -20.422 1.013 1.00 0.00 N ATOM 0 H LYS A 2 -8.343 -22.081 0.648 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.407 -20.124 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.157 -20.842 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.366 -19.496 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.863 -18.100 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.824 -19.438 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.397 -18.534 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.842 -17.426 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.770 -18.655 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.845 -19.694 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.472 -21.237 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.106 -20.691 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.650 -20.124 1.802 1.00 0.00 H new ATOM 42 N LYS A 3 -6.523 -18.675 -0.865 1.00 0.00 N ATOM 43 CA LYS A 3 -5.433 -17.765 -0.531 1.00 0.00 C ATOM 44 C LYS A 3 -5.513 -16.493 -1.370 1.00 0.00 C ATOM 45 O LYS A 3 -5.802 -16.546 -2.566 1.00 0.00 O ATOM 46 CB LYS A 3 -4.076 -18.463 -0.721 1.00 0.00 C ATOM 47 CG LYS A 3 -3.414 -18.216 -2.071 1.00 0.00 C ATOM 48 CD LYS A 3 -4.237 -18.790 -3.214 1.00 0.00 C ATOM 49 CE LYS A 3 -3.948 -18.072 -4.523 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.489 -17.861 -4.733 1.00 0.00 N ATOM 0 H LYS A 3 -6.740 -18.724 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.529 -17.481 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.399 -18.131 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.214 -19.536 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.281 -17.145 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.421 -18.664 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.018 -19.852 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.298 -18.706 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.353 -18.652 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.458 -17.109 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.314 -17.607 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.157 -17.093 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.975 -18.736 -4.504 1.00 0.00 H new ATOM 64 N LEU A 4 -5.245 -15.352 -0.744 1.00 0.00 N ATOM 65 CA LEU A 4 -5.273 -14.070 -1.437 1.00 0.00 C ATOM 66 C LEU A 4 -4.239 -13.120 -0.836 1.00 0.00 C ATOM 67 O LEU A 4 -4.289 -12.822 0.356 1.00 0.00 O ATOM 68 CB LEU A 4 -6.671 -13.456 -1.349 1.00 0.00 C ATOM 69 CG LEU A 4 -7.129 -13.093 0.065 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.798 -11.640 0.376 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.621 -13.350 0.225 1.00 0.00 C ATOM 0 H LEU A 4 -5.005 -15.290 0.245 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.026 -14.233 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.696 -12.557 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.387 -14.157 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.595 -13.725 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.131 -11.399 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.721 -11.489 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.305 -10.991 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.929 -13.086 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.174 -12.743 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.830 -14.405 0.045 1.00 0.00 H new ATOM 83 N GLN A 5 -3.294 -12.653 -1.650 1.00 0.00 N ATOM 84 CA GLN A 5 -2.254 -11.752 -1.168 1.00 0.00 C ATOM 85 C GLN A 5 -2.537 -10.311 -1.560 1.00 0.00 C ATOM 86 O GLN A 5 -3.247 -10.044 -2.527 1.00 0.00 O ATOM 87 CB GLN A 5 -0.904 -12.156 -1.753 1.00 0.00 C ATOM 88 CG GLN A 5 -0.635 -13.646 -1.681 1.00 0.00 C ATOM 89 CD GLN A 5 0.765 -14.012 -2.132 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.060 -14.029 -3.327 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.636 -14.308 -1.175 1.00 0.00 N ATOM 0 H GLN A 5 -3.229 -12.883 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.238 -11.825 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.858 -11.836 -2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.113 -11.626 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.783 -13.988 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.361 -14.172 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.348 -14.281 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.593 -14.562 -1.418 1.00 0.00 H new ATOM 100 N ILE A 6 -1.968 -9.383 -0.804 1.00 0.00 N ATOM 101 CA ILE A 6 -2.126 -7.962 -1.053 1.00 0.00 C ATOM 102 C ILE A 6 -0.829 -7.257 -0.663 1.00 0.00 C ATOM 103 O ILE A 6 -0.242 -7.578 0.370 1.00 0.00 O ATOM 104 CB ILE A 6 -3.295 -7.378 -0.239 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.609 -8.052 -0.630 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.383 -5.874 -0.439 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.001 -9.185 0.294 1.00 0.00 C ATOM 0 H ILE A 6 -1.382 -9.598 0.002 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.346 -7.809 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.112 -7.573 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.404 -7.306 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.524 -8.435 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.215 -5.478 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.454 -5.408 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.543 -5.656 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.943 -9.619 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.225 -9.950 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.118 -8.803 1.308 1.00 0.00 H new ATOM 119 N ALA A 7 -0.396 -6.274 -1.445 1.00 0.00 N ATOM 120 CA ALA A 7 0.807 -5.524 -1.113 1.00 0.00 C ATOM 121 C ALA A 7 0.463 -4.050 -1.127 1.00 0.00 C ATOM 122 O ALA A 7 -0.290 -3.636 -1.986 1.00 0.00 O ATOM 123 CB ALA A 7 1.923 -5.831 -2.101 1.00 0.00 C ATOM 0 H ALA A 7 -0.857 -5.981 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 7 1.164 -5.811 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.812 -5.260 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.153 -6.896 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.604 -5.557 -3.107 1.00 0.00 H new ATOM 129 N VAL A 8 0.980 -3.246 -0.207 1.00 0.00 N ATOM 130 CA VAL A 8 0.650 -1.825 -0.216 1.00 0.00 C ATOM 131 C VAL A 8 1.839 -0.979 0.213 1.00 0.00 C ATOM 132 O VAL A 8 2.733 -1.454 0.905 1.00 0.00 O ATOM 133 CB VAL A 8 -0.573 -1.503 0.680 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.249 -2.779 1.165 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.176 -0.626 1.861 1.00 0.00 C ATOM 0 H VAL A 8 1.613 -3.541 0.537 1.00 0.00 H new ATOM 0 HA VAL A 8 0.390 -1.576 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.288 -0.949 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.103 -2.523 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.589 -3.359 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.539 -3.369 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.055 -0.417 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.570 -1.144 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.242 0.311 1.494 1.00 0.00 H new ATOM 145 N GLY A 9 1.851 0.277 -0.216 1.00 0.00 N ATOM 146 CA GLY A 9 2.953 1.144 0.136 1.00 0.00 C ATOM 147 C GLY A 9 2.589 2.614 0.222 1.00 0.00 C ATOM 148 O GLY A 9 1.771 3.117 -0.543 1.00 0.00 O ATOM 0 H GLY A 9 1.127 0.704 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.358 0.825 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.746 1.021 -0.601 1.00 0.00 H new ATOM 152 N ILE A 10 3.248 3.300 1.145 1.00 0.00 N ATOM 153 CA ILE A 10 3.062 4.733 1.346 1.00 0.00 C ATOM 154 C ILE A 10 4.236 5.453 0.690 1.00 0.00 C ATOM 155 O ILE A 10 5.381 5.169 1.022 1.00 0.00 O ATOM 156 CB ILE A 10 2.994 5.099 2.857 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.141 3.857 3.746 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.688 5.815 3.173 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.578 3.435 3.965 1.00 0.00 C ATOM 0 H ILE A 10 3.928 2.879 1.778 1.00 0.00 H new ATOM 0 HA ILE A 10 2.116 5.038 0.899 1.00 0.00 H new ATOM 0 HB ILE A 10 3.829 5.766 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.678 4.056 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.593 3.030 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.657 6.064 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.623 6.730 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.848 5.165 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.605 2.551 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.040 3.204 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.126 4.245 4.446 1.00 0.00 H new ATOM 171 N ILE A 11 3.965 6.356 -0.256 1.00 0.00 N ATOM 172 CA ILE A 11 5.045 7.057 -0.960 1.00 0.00 C ATOM 173 C ILE A 11 5.581 8.253 -0.180 1.00 0.00 C ATOM 174 O ILE A 11 4.898 9.254 0.005 1.00 0.00 O ATOM 175 CB ILE A 11 4.621 7.536 -2.365 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.583 6.597 -2.980 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.838 7.640 -3.271 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.209 7.215 -3.052 1.00 0.00 C ATOM 0 H ILE A 11 3.024 6.617 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 11 5.838 6.315 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 11 4.165 8.521 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.903 6.315 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.534 5.681 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.528 7.979 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.546 8.353 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.314 6.663 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.513 6.504 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.873 7.472 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.247 8.116 -3.664 1.00 0.00 H new ATOM 190 N ARG A 12 6.814 8.125 0.271 1.00 0.00 N ATOM 191 CA ARG A 12 7.453 9.181 1.050 1.00 0.00 C ATOM 192 C ARG A 12 7.948 10.280 0.126 1.00 0.00 C ATOM 193 O ARG A 12 8.222 10.034 -1.049 1.00 0.00 O ATOM 194 CB ARG A 12 8.619 8.623 1.863 1.00 0.00 C ATOM 195 CG ARG A 12 8.231 8.205 3.271 1.00 0.00 C ATOM 196 CD ARG A 12 8.386 9.352 4.258 1.00 0.00 C ATOM 197 NE ARG A 12 9.438 9.092 5.237 1.00 0.00 N ATOM 198 CZ ARG A 12 9.283 8.307 6.301 1.00 0.00 C ATOM 199 NH1 ARG A 12 8.125 7.700 6.525 1.00 0.00 N ATOM 200 NH2 ARG A 12 10.292 8.127 7.144 1.00 0.00 N ATOM 0 H ARG A 12 7.397 7.303 0.114 1.00 0.00 H new ATOM 0 HA ARG A 12 6.716 9.594 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.038 7.763 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.405 9.376 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.198 7.857 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.852 7.366 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.614 10.269 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.441 9.515 4.776 1.00 0.00 H new ATOM 0 HE ARG A 12 10.345 9.538 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.346 7.833 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.013 7.100 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.185 8.590 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.174 7.526 7.959 1.00 0.00 H new ATOM 214 N ASN A 13 8.054 11.497 0.658 1.00 0.00 N ATOM 215 CA ASN A 13 8.502 12.633 -0.140 1.00 0.00 C ATOM 216 C ASN A 13 9.601 13.450 0.530 1.00 0.00 C ATOM 217 O ASN A 13 10.150 13.090 1.571 1.00 0.00 O ATOM 218 CB ASN A 13 7.335 13.558 -0.470 1.00 0.00 C ATOM 219 CG ASN A 13 7.381 14.089 -1.894 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.045 15.248 -2.141 1.00 0.00 O ATOM 221 ND2 ASN A 13 7.795 13.251 -2.836 1.00 0.00 N ATOM 0 H ASN A 13 7.837 11.719 1.630 1.00 0.00 H new ATOM 0 HA ASN A 13 8.918 12.203 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.399 13.021 -0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.336 14.398 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.844 13.559 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.064 12.299 -2.589 1.00 0.00 H new ATOM 228 N GLU A 14 9.897 14.557 -0.132 1.00 0.00 N ATOM 229 CA GLU A 14 10.917 15.507 0.286 1.00 0.00 C ATOM 230 C GLU A 14 10.711 15.969 1.717 1.00 0.00 C ATOM 231 O GLU A 14 11.608 15.885 2.556 1.00 0.00 O ATOM 232 CB GLU A 14 10.889 16.715 -0.652 1.00 0.00 C ATOM 233 CG GLU A 14 11.818 17.844 -0.235 1.00 0.00 C ATOM 234 CD GLU A 14 13.242 17.375 -0.010 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.521 16.826 1.076 1.00 0.00 O ATOM 236 OE2 GLU A 14 14.078 17.559 -0.919 1.00 0.00 O ATOM 0 H GLU A 14 9.424 14.827 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 14 11.885 15.008 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.159 16.388 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.870 17.098 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.811 18.617 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.441 18.300 0.680 1.00 0.00 H new ATOM 243 N ASN A 15 9.530 16.484 1.965 1.00 0.00 N ATOM 244 CA ASN A 15 9.171 17.007 3.280 1.00 0.00 C ATOM 245 C ASN A 15 8.990 15.901 4.318 1.00 0.00 C ATOM 246 O ASN A 15 8.793 16.186 5.499 1.00 0.00 O ATOM 247 CB ASN A 15 7.893 17.841 3.183 1.00 0.00 C ATOM 248 CG ASN A 15 7.787 18.867 4.294 1.00 0.00 C ATOM 249 OD1 ASN A 15 8.679 18.985 5.133 1.00 0.00 O ATOM 250 ND2 ASN A 15 6.691 19.617 4.304 1.00 0.00 N ATOM 0 H ASN A 15 8.787 16.556 1.270 1.00 0.00 H new ATOM 0 HA ASN A 15 9.998 17.634 3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.866 18.349 2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.027 17.180 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.564 20.325 5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.976 19.485 3.588 1.00 0.00 H new ATOM 257 N ASN A 16 9.028 14.642 3.874 1.00 0.00 N ATOM 258 CA ASN A 16 8.842 13.494 4.765 1.00 0.00 C ATOM 259 C ASN A 16 7.355 13.196 4.947 1.00 0.00 C ATOM 260 O ASN A 16 6.962 12.446 5.843 1.00 0.00 O ATOM 261 CB ASN A 16 9.511 13.717 6.122 1.00 0.00 C ATOM 262 CG ASN A 16 10.376 12.543 6.540 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.896 11.417 6.667 1.00 0.00 O ATOM 264 ND2 ASN A 16 11.661 12.803 6.756 1.00 0.00 N ATOM 0 H ASN A 16 9.187 14.391 2.898 1.00 0.00 H new ATOM 0 HA ASN A 16 9.321 12.634 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.123 14.618 6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.745 13.888 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.292 12.054 7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.016 13.752 6.639 1.00 0.00 H new ATOM 271 N GLU A 17 6.540 13.771 4.070 1.00 0.00 N ATOM 272 CA GLU A 17 5.101 13.559 4.098 1.00 0.00 C ATOM 273 C GLU A 17 4.714 12.653 2.941 1.00 0.00 C ATOM 274 O GLU A 17 5.246 12.789 1.840 1.00 0.00 O ATOM 275 CB GLU A 17 4.357 14.892 4.002 1.00 0.00 C ATOM 276 CG GLU A 17 4.757 15.730 2.799 1.00 0.00 C ATOM 277 CD GLU A 17 4.218 17.145 2.868 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.245 17.373 3.618 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.766 18.023 2.170 1.00 0.00 O ATOM 0 H GLU A 17 6.857 14.392 3.326 1.00 0.00 H new ATOM 0 HA GLU A 17 4.824 13.088 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.285 14.697 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.540 15.466 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.844 15.763 2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.393 15.251 1.890 1.00 0.00 H new ATOM 286 N ILE A 18 3.862 11.673 3.204 1.00 0.00 N ATOM 287 CA ILE A 18 3.518 10.700 2.178 1.00 0.00 C ATOM 288 C ILE A 18 2.162 10.947 1.529 1.00 0.00 C ATOM 289 O ILE A 18 1.113 10.886 2.169 1.00 0.00 O ATOM 290 CB ILE A 18 3.528 9.275 2.782 1.00 0.00 C ATOM 291 CG1 ILE A 18 3.150 8.221 1.735 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.591 9.192 3.980 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.692 8.211 1.352 1.00 0.00 C ATOM 0 H ILE A 18 3.403 11.531 4.104 1.00 0.00 H new ATOM 0 HA ILE A 18 4.272 10.805 1.398 1.00 0.00 H new ATOM 0 HB ILE A 18 4.544 9.066 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.746 8.389 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.419 7.236 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.613 8.182 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.913 9.900 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.576 9.434 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.517 7.435 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.085 8.010 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.418 9.181 0.936 1.00 0.00 H new ATOM 305 N PHE A 19 2.230 11.230 0.229 1.00 0.00 N ATOM 306 CA PHE A 19 1.061 11.503 -0.596 1.00 0.00 C ATOM 307 C PHE A 19 0.137 10.283 -0.680 1.00 0.00 C ATOM 308 O PHE A 19 0.349 9.377 -1.482 1.00 0.00 O ATOM 309 CB PHE A 19 1.536 11.952 -1.994 1.00 0.00 C ATOM 310 CG PHE A 19 0.672 11.527 -3.156 1.00 0.00 C ATOM 311 CD1 PHE A 19 0.826 10.273 -3.729 1.00 0.00 C ATOM 312 CD2 PHE A 19 -0.271 12.389 -3.691 1.00 0.00 C ATOM 313 CE1 PHE A 19 0.050 9.884 -4.803 1.00 0.00 C ATOM 314 CE2 PHE A 19 -1.047 12.005 -4.770 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.887 10.752 -5.325 1.00 0.00 C ATOM 0 H PHE A 19 3.110 11.276 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 19 0.475 12.302 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.608 13.040 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.542 11.566 -2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.563 9.592 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.402 13.371 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.176 8.902 -5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.779 12.687 -5.178 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.494 10.451 -6.166 1.00 0.00 H new ATOM 325 N ILE A 20 -0.893 10.276 0.156 1.00 0.00 N ATOM 326 CA ILE A 20 -1.858 9.193 0.167 1.00 0.00 C ATOM 327 C ILE A 20 -3.176 9.695 -0.403 1.00 0.00 C ATOM 328 O ILE A 20 -3.495 10.878 -0.286 1.00 0.00 O ATOM 329 CB ILE A 20 -2.116 8.638 1.584 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.618 9.603 2.665 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.463 7.276 1.746 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.164 9.300 4.043 1.00 0.00 C ATOM 0 H ILE A 20 -1.079 11.013 0.836 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.443 8.386 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.194 8.530 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.529 9.568 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.896 10.620 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.654 6.898 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.878 6.584 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.388 7.367 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.770 10.022 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.252 9.364 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.864 8.295 4.340 1.00 0.00 H new ATOM 344 N THR A 21 -3.949 8.806 -1.006 1.00 0.00 N ATOM 345 CA THR A 21 -5.234 9.197 -1.566 1.00 0.00 C ATOM 346 C THR A 21 -6.210 9.506 -0.440 1.00 0.00 C ATOM 347 O THR A 21 -6.341 8.725 0.496 1.00 0.00 O ATOM 348 CB THR A 21 -5.789 8.085 -2.457 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.080 6.928 -1.691 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.843 7.676 -3.565 1.00 0.00 C ATOM 0 H THR A 21 -3.714 7.820 -1.120 1.00 0.00 H new ATOM 0 HA THR A 21 -5.097 10.090 -2.176 1.00 0.00 H new ATOM 0 HB THR A 21 -6.691 8.499 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.250 6.570 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.299 6.884 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.637 8.535 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.910 7.314 -3.132 1.00 0.00 H new ATOM 358 N ARG A 22 -6.886 10.647 -0.522 1.00 0.00 N ATOM 359 CA ARG A 22 -7.841 11.029 0.513 1.00 0.00 C ATOM 360 C ARG A 22 -8.992 11.846 -0.067 1.00 0.00 C ATOM 361 O ARG A 22 -8.778 12.834 -0.768 1.00 0.00 O ATOM 362 CB ARG A 22 -7.139 11.801 1.640 1.00 0.00 C ATOM 363 CG ARG A 22 -6.742 13.227 1.288 1.00 0.00 C ATOM 364 CD ARG A 22 -6.710 14.111 2.526 1.00 0.00 C ATOM 365 NE ARG A 22 -7.414 15.373 2.314 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.307 16.427 3.120 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.525 16.377 4.191 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.985 17.535 2.853 1.00 0.00 N ATOM 0 H ARG A 22 -6.793 11.317 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.262 10.115 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.797 11.826 2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.244 11.252 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.761 13.227 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.447 13.636 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.162 13.579 3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.675 14.315 2.800 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.024 15.451 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.001 15.527 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.448 17.188 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.587 17.579 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.904 18.343 3.470 1.00 0.00 H new ATOM 382 N ARG A 23 -10.218 11.416 0.229 1.00 0.00 N ATOM 383 CA ARG A 23 -11.419 12.095 -0.258 1.00 0.00 C ATOM 384 C ARG A 23 -11.280 12.502 -1.725 1.00 0.00 C ATOM 385 O ARG A 23 -11.883 13.480 -2.164 1.00 0.00 O ATOM 386 CB ARG A 23 -11.708 13.331 0.597 1.00 0.00 C ATOM 387 CG ARG A 23 -11.601 13.079 2.093 1.00 0.00 C ATOM 388 CD ARG A 23 -11.310 14.361 2.858 1.00 0.00 C ATOM 389 NE ARG A 23 -12.248 14.565 3.960 1.00 0.00 N ATOM 390 CZ ARG A 23 -13.483 15.037 3.804 1.00 0.00 C ATOM 391 NH1 ARG A 23 -13.934 15.353 2.596 1.00 0.00 N ATOM 392 NH2 ARG A 23 -14.271 15.192 4.859 1.00 0.00 N ATOM 0 H ARG A 23 -10.406 10.597 0.806 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.250 11.394 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.013 14.124 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.711 13.693 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.531 12.641 2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.811 12.353 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.293 14.327 3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.361 15.210 2.176 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.938 14.332 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.333 15.235 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.881 15.714 2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.931 14.950 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.217 15.554 4.740 1.00 0.00 H new ATOM 406 N ALA A 24 -10.483 11.745 -2.475 1.00 0.00 N ATOM 407 CA ALA A 24 -10.260 12.024 -3.890 1.00 0.00 C ATOM 408 C ALA A 24 -9.784 13.460 -4.108 1.00 0.00 C ATOM 409 O ALA A 24 -8.581 13.719 -4.167 1.00 0.00 O ATOM 410 CB ALA A 24 -11.524 11.745 -4.692 1.00 0.00 C ATOM 0 H ALA A 24 -9.979 10.931 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.471 11.360 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.341 11.958 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.804 10.698 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.333 12.379 -4.329 1.00 0.00 H new ATOM 416 N ALA A 25 -10.727 14.391 -4.227 1.00 0.00 N ATOM 417 CA ALA A 25 -10.392 15.794 -4.436 1.00 0.00 C ATOM 418 C ALA A 25 -11.601 16.691 -4.193 1.00 0.00 C ATOM 419 O ALA A 25 -11.747 17.737 -4.824 1.00 0.00 O ATOM 420 CB ALA A 25 -9.853 16.005 -5.844 1.00 0.00 C ATOM 0 H ALA A 25 -11.728 14.198 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.619 16.066 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.607 17.057 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.957 15.401 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.609 15.708 -6.571 1.00 0.00 H new ATOM 426 N ASP A 26 -12.465 16.273 -3.272 1.00 0.00 N ATOM 427 CA ASP A 26 -13.660 17.041 -2.945 1.00 0.00 C ATOM 428 C ASP A 26 -14.421 16.401 -1.787 1.00 0.00 C ATOM 429 O ASP A 26 -14.323 16.849 -0.645 1.00 0.00 O ATOM 430 CB ASP A 26 -14.565 17.159 -4.170 1.00 0.00 C ATOM 431 CG ASP A 26 -14.729 18.595 -4.633 1.00 0.00 C ATOM 432 OD1 ASP A 26 -13.773 19.143 -5.220 1.00 0.00 O ATOM 433 OD2 ASP A 26 -15.814 19.170 -4.407 1.00 0.00 O ATOM 0 H ASP A 26 -12.359 15.409 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.348 18.039 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.150 16.563 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -15.544 16.742 -3.936 1.00 0.00 H new ATOM 438 N ALA A 27 -15.180 15.352 -2.090 1.00 0.00 N ATOM 439 CA ALA A 27 -15.958 14.651 -1.072 1.00 0.00 C ATOM 440 C ALA A 27 -16.758 13.506 -1.685 1.00 0.00 C ATOM 441 O ALA A 27 -17.696 13.731 -2.450 1.00 0.00 O ATOM 442 CB ALA A 27 -16.888 15.620 -0.357 1.00 0.00 C ATOM 0 H ALA A 27 -15.273 14.969 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.263 14.229 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.461 15.083 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.300 16.403 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.570 16.069 -1.079 1.00 0.00 H new ATOM 448 N HIS A 28 -16.382 12.278 -1.342 1.00 0.00 N ATOM 449 CA HIS A 28 -17.067 11.097 -1.858 1.00 0.00 C ATOM 450 C HIS A 28 -16.471 9.822 -1.266 1.00 0.00 C ATOM 451 O HIS A 28 -17.053 9.211 -0.370 1.00 0.00 O ATOM 452 CB HIS A 28 -16.981 11.057 -3.386 1.00 0.00 C ATOM 453 CG HIS A 28 -18.317 11.100 -4.060 1.00 0.00 C ATOM 454 ND1 HIS A 28 -18.634 10.322 -5.154 1.00 0.00 N ATOM 455 CD2 HIS A 28 -19.423 11.836 -3.791 1.00 0.00 C ATOM 456 CE1 HIS A 28 -19.876 10.577 -5.529 1.00 0.00 C ATOM 457 NE2 HIS A 28 -20.377 11.490 -4.718 1.00 0.00 N ATOM 0 H HIS A 28 -15.608 12.074 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.115 11.157 -1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -16.382 11.900 -3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -16.459 10.149 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -19.534 12.559 -2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.393 10.117 -6.358 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -21.320 11.876 -4.771 1.00 0.00 H new ATOM 466 N MET A 29 -15.308 9.426 -1.773 1.00 0.00 N ATOM 467 CA MET A 29 -14.635 8.224 -1.294 1.00 0.00 C ATOM 468 C MET A 29 -13.648 8.561 -0.181 1.00 0.00 C ATOM 469 O MET A 29 -12.479 8.179 -0.233 1.00 0.00 O ATOM 470 CB MET A 29 -13.909 7.527 -2.447 1.00 0.00 C ATOM 471 CG MET A 29 -14.808 7.223 -3.635 1.00 0.00 C ATOM 472 SD MET A 29 -16.015 5.933 -3.279 1.00 0.00 S ATOM 473 CE MET A 29 -17.223 6.233 -4.567 1.00 0.00 C ATOM 0 H MET A 29 -14.812 9.920 -2.515 1.00 0.00 H new ATOM 0 HA MET A 29 -15.390 7.549 -0.891 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.083 8.156 -2.778 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.475 6.596 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 29 -15.331 8.132 -3.932 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.194 6.917 -4.482 1.00 0.00 H new ATOM 0 HE1 MET A 29 -18.035 5.512 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 29 -17.621 7.242 -4.464 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.748 6.128 -5.543 1.00 0.00 H new ATOM 483 N ALA A 30 -14.130 9.280 0.828 1.00 0.00 N ATOM 484 CA ALA A 30 -13.293 9.671 1.957 1.00 0.00 C ATOM 485 C ALA A 30 -12.817 8.453 2.745 1.00 0.00 C ATOM 486 O ALA A 30 -11.823 8.521 3.468 1.00 0.00 O ATOM 487 CB ALA A 30 -14.052 10.625 2.866 1.00 0.00 C ATOM 0 H ALA A 30 -15.096 9.604 0.887 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.412 10.178 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.418 10.910 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.333 11.516 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.950 10.134 3.241 1.00 0.00 H new ATOM 493 N ASN A 31 -13.531 7.339 2.605 1.00 0.00 N ATOM 494 CA ASN A 31 -13.177 6.111 3.308 1.00 0.00 C ATOM 495 C ASN A 31 -12.228 5.246 2.478 1.00 0.00 C ATOM 496 O ASN A 31 -12.013 4.075 2.791 1.00 0.00 O ATOM 497 CB ASN A 31 -14.440 5.318 3.654 1.00 0.00 C ATOM 498 CG ASN A 31 -14.714 5.288 5.145 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.421 6.246 5.862 1.00 0.00 O ATOM 500 ND2 ASN A 31 -15.279 4.184 5.622 1.00 0.00 N ATOM 0 H ASN A 31 -14.357 7.262 2.012 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.662 6.389 4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.294 5.758 3.139 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.337 4.297 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.487 4.107 6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.505 3.414 4.992 1.00 0.00 H new ATOM 507 N LYS A 32 -11.659 5.825 1.423 1.00 0.00 N ATOM 508 CA LYS A 32 -10.733 5.097 0.560 1.00 0.00 C ATOM 509 C LYS A 32 -9.330 5.676 0.647 1.00 0.00 C ATOM 510 O LYS A 32 -8.536 5.560 -0.286 1.00 0.00 O ATOM 511 CB LYS A 32 -11.222 5.109 -0.889 1.00 0.00 C ATOM 512 CG LYS A 32 -11.351 3.721 -1.499 1.00 0.00 C ATOM 513 CD LYS A 32 -10.690 3.647 -2.866 1.00 0.00 C ATOM 514 CE LYS A 32 -9.247 3.181 -2.763 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.304 4.325 -2.617 1.00 0.00 N ATOM 0 H LYS A 32 -11.822 6.793 1.146 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.697 4.065 0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.190 5.608 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.532 5.699 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.896 2.987 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.405 3.459 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.249 2.964 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.724 4.627 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.141 2.512 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.986 2.607 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.340 4.013 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.587 5.092 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.326 4.670 -1.636 1.00 0.00 H new ATOM 529 N LEU A 33 -9.035 6.297 1.776 1.00 0.00 N ATOM 530 CA LEU A 33 -7.728 6.901 2.005 1.00 0.00 C ATOM 531 C LEU A 33 -6.659 5.822 2.130 1.00 0.00 C ATOM 532 O LEU A 33 -6.091 5.619 3.201 1.00 0.00 O ATOM 533 CB LEU A 33 -7.763 7.761 3.271 1.00 0.00 C ATOM 534 CG LEU A 33 -6.693 8.851 3.354 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.801 9.605 4.670 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.303 8.256 3.192 1.00 0.00 C ATOM 0 H LEU A 33 -9.686 6.398 2.555 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.481 7.536 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.743 8.232 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.659 7.107 4.137 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.859 9.555 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.032 10.376 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.785 10.069 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.664 8.911 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.558 9.049 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.125 7.528 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.229 7.764 2.222 1.00 0.00 H new ATOM 548 N GLU A 34 -6.396 5.124 1.030 1.00 0.00 N ATOM 549 CA GLU A 34 -5.412 4.048 1.024 1.00 0.00 C ATOM 550 C GLU A 34 -4.196 4.389 0.173 1.00 0.00 C ATOM 551 O GLU A 34 -4.080 5.488 -0.368 1.00 0.00 O ATOM 552 CB GLU A 34 -6.051 2.752 0.520 1.00 0.00 C ATOM 553 CG GLU A 34 -5.705 1.534 1.364 1.00 0.00 C ATOM 554 CD GLU A 34 -6.065 0.230 0.680 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.122 0.210 -0.568 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.290 -0.771 1.391 1.00 0.00 O ATOM 0 H GLU A 34 -6.851 5.284 0.131 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.071 3.914 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.134 2.874 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.732 2.575 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.638 1.541 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.229 1.597 2.318 1.00 0.00 H new ATOM 563 N PHE A 35 -3.284 3.428 0.081 1.00 0.00 N ATOM 564 CA PHE A 35 -2.051 3.593 -0.678 1.00 0.00 C ATOM 565 C PHE A 35 -1.940 2.561 -1.806 1.00 0.00 C ATOM 566 O PHE A 35 -2.678 1.577 -1.837 1.00 0.00 O ATOM 567 CB PHE A 35 -0.841 3.459 0.257 1.00 0.00 C ATOM 568 CG PHE A 35 -1.196 3.166 1.692 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.682 1.921 2.059 1.00 0.00 C ATOM 570 CD2 PHE A 35 -1.040 4.133 2.668 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.007 1.649 3.375 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.361 3.867 3.985 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.846 2.624 4.339 1.00 0.00 C ATOM 0 H PHE A 35 -3.378 2.516 0.529 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.068 4.586 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.195 2.664 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.263 4.382 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.808 1.155 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.663 5.108 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.386 0.675 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.233 4.631 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.099 2.415 5.368 1.00 0.00 H new ATOM 583 N PRO A 36 -0.975 2.762 -2.726 1.00 0.00 N ATOM 584 CA PRO A 36 -0.712 1.841 -3.843 1.00 0.00 C ATOM 585 C PRO A 36 -0.620 0.398 -3.361 1.00 0.00 C ATOM 586 O PRO A 36 -0.527 0.155 -2.159 1.00 0.00 O ATOM 587 CB PRO A 36 0.648 2.308 -4.394 1.00 0.00 C ATOM 588 CG PRO A 36 1.176 3.283 -3.397 1.00 0.00 C ATOM 589 CD PRO A 36 -0.027 3.884 -2.734 1.00 0.00 C ATOM 0 HA PRO A 36 -1.507 1.859 -4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.330 1.467 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.535 2.773 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.817 2.788 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.779 4.050 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.197 4.234 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.413 4.738 -3.290 1.00 0.00 H new ATOM 597 N GLY A 37 -0.635 -0.567 -4.286 1.00 0.00 N ATOM 598 CA GLY A 37 -0.537 -1.955 -3.866 1.00 0.00 C ATOM 599 C GLY A 37 -1.848 -2.718 -3.866 1.00 0.00 C ATOM 600 O GLY A 37 -2.303 -3.217 -2.837 1.00 0.00 O ATOM 0 H GLY A 37 -0.711 -0.416 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.165 -2.469 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.116 -1.986 -2.861 1.00 0.00 H new ATOM 604 N GLY A 38 -2.437 -2.809 -5.029 1.00 0.00 N ATOM 605 CA GLY A 38 -3.688 -3.525 -5.192 1.00 0.00 C ATOM 606 C GLY A 38 -3.659 -4.453 -6.396 1.00 0.00 C ATOM 607 O GLY A 38 -3.611 -3.979 -7.531 1.00 0.00 O ATOM 0 H GLY A 38 -2.072 -2.395 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.894 -4.105 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.503 -2.810 -5.304 1.00 0.00 H new ATOM 611 N LYS A 39 -3.682 -5.775 -6.147 1.00 0.00 N ATOM 612 CA LYS A 39 -3.657 -6.789 -7.209 1.00 0.00 C ATOM 613 C LYS A 39 -2.253 -7.350 -7.418 1.00 0.00 C ATOM 614 O LYS A 39 -1.947 -7.896 -8.477 1.00 0.00 O ATOM 615 CB LYS A 39 -4.193 -6.250 -8.536 1.00 0.00 C ATOM 616 CG LYS A 39 -4.314 -7.319 -9.605 1.00 0.00 C ATOM 617 CD LYS A 39 -5.618 -7.198 -10.377 1.00 0.00 C ATOM 618 CE LYS A 39 -6.769 -7.856 -9.633 1.00 0.00 C ATOM 619 NZ LYS A 39 -7.112 -7.125 -8.381 1.00 0.00 N ATOM 0 H LYS A 39 -3.718 -6.166 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.314 -7.592 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.171 -5.798 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.533 -5.460 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.474 -7.240 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.255 -8.304 -9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.846 -6.145 -10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.506 -7.660 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.644 -7.896 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.504 -8.885 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.070 -7.390 -8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.430 -7.374 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.075 -6.100 -8.556 1.00 0.00 H new ATOM 633 N ILE A 40 -1.406 -7.237 -6.403 1.00 0.00 N ATOM 634 CA ILE A 40 -0.048 -7.767 -6.496 1.00 0.00 C ATOM 635 C ILE A 40 -0.102 -9.281 -6.539 1.00 0.00 C ATOM 636 O ILE A 40 0.685 -9.942 -7.218 1.00 0.00 O ATOM 637 CB ILE A 40 0.865 -7.292 -5.332 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.006 -8.359 -4.226 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.339 -5.991 -4.750 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.422 -8.502 -3.704 1.00 0.00 C ATOM 0 H ILE A 40 -1.630 -6.789 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 40 0.394 -7.380 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 40 1.860 -7.126 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.346 -8.102 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.671 -9.321 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.987 -5.669 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.323 -5.226 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.671 -6.144 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.449 -9.268 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.084 -8.789 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.753 -7.552 -3.285 1.00 0.00 H new ATOM 652 N GLU A 41 -1.055 -9.806 -5.793 1.00 0.00 N ATOM 653 CA GLU A 41 -1.283 -11.239 -5.688 1.00 0.00 C ATOM 654 C GLU A 41 -1.211 -11.915 -7.056 1.00 0.00 C ATOM 655 O GLU A 41 -0.169 -12.451 -7.432 1.00 0.00 O ATOM 656 CB GLU A 41 -2.642 -11.492 -5.030 1.00 0.00 C ATOM 657 CG GLU A 41 -3.715 -10.471 -5.412 1.00 0.00 C ATOM 658 CD GLU A 41 -4.997 -11.121 -5.895 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.297 -12.247 -5.445 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.700 -10.506 -6.723 1.00 0.00 O ATOM 0 H GLU A 41 -1.701 -9.246 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.497 -11.673 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.988 -12.488 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.517 -11.486 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.934 -9.841 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.327 -9.818 -6.194 1.00 0.00 H new ATOM 667 N MET A 42 -2.319 -11.878 -7.795 1.00 0.00 N ATOM 668 CA MET A 42 -2.386 -12.485 -9.126 1.00 0.00 C ATOM 669 C MET A 42 -1.697 -13.853 -9.159 1.00 0.00 C ATOM 670 O MET A 42 -2.324 -14.877 -8.889 1.00 0.00 O ATOM 671 CB MET A 42 -1.762 -11.551 -10.168 1.00 0.00 C ATOM 672 CG MET A 42 -2.597 -10.316 -10.457 1.00 0.00 C ATOM 673 SD MET A 42 -2.870 -10.052 -12.220 1.00 0.00 S ATOM 674 CE MET A 42 -1.524 -8.934 -12.606 1.00 0.00 C ATOM 0 H MET A 42 -3.186 -11.433 -7.494 1.00 0.00 H new ATOM 0 HA MET A 42 -3.438 -12.638 -9.368 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.777 -11.240 -9.821 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.613 -12.104 -11.096 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.560 -10.409 -9.955 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.101 -9.441 -10.036 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.557 -8.677 -13.665 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.622 -8.027 -12.009 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.573 -9.417 -12.379 1.00 0.00 H new ATOM 684 N GLY A 43 -0.406 -13.863 -9.492 1.00 0.00 N ATOM 685 CA GLY A 43 0.333 -15.111 -9.553 1.00 0.00 C ATOM 686 C GLY A 43 1.833 -14.909 -9.618 1.00 0.00 C ATOM 687 O GLY A 43 2.564 -15.770 -10.107 1.00 0.00 O ATOM 0 H GLY A 43 0.138 -13.031 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.091 -15.713 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.010 -15.676 -10.428 1.00 0.00 H new ATOM 691 N GLU A 44 2.289 -13.769 -9.127 1.00 0.00 N ATOM 692 CA GLU A 44 3.713 -13.447 -9.128 1.00 0.00 C ATOM 693 C GLU A 44 4.377 -13.941 -7.844 1.00 0.00 C ATOM 694 O GLU A 44 3.793 -14.730 -7.102 1.00 0.00 O ATOM 695 CB GLU A 44 3.909 -11.937 -9.289 1.00 0.00 C ATOM 696 CG GLU A 44 4.340 -11.529 -10.688 1.00 0.00 C ATOM 697 CD GLU A 44 3.243 -10.811 -11.451 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.671 -9.847 -10.901 1.00 0.00 O ATOM 699 OE2 GLU A 44 2.956 -11.214 -12.599 1.00 0.00 O ATOM 0 H GLU A 44 1.695 -13.047 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 44 4.185 -13.953 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.977 -11.429 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.657 -11.597 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.214 -10.881 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.643 -12.416 -11.244 1.00 0.00 H new ATOM 706 N THR A 45 5.594 -13.469 -7.577 1.00 0.00 N ATOM 707 CA THR A 45 6.313 -13.865 -6.375 1.00 0.00 C ATOM 708 C THR A 45 6.111 -12.817 -5.285 1.00 0.00 C ATOM 709 O THR A 45 5.751 -11.678 -5.580 1.00 0.00 O ATOM 710 CB THR A 45 7.805 -14.039 -6.682 1.00 0.00 C ATOM 711 OG1 THR A 45 8.056 -13.879 -8.066 1.00 0.00 O ATOM 712 CG2 THR A 45 8.350 -15.392 -6.278 1.00 0.00 C ATOM 0 H THR A 45 6.098 -12.815 -8.176 1.00 0.00 H new ATOM 0 HA THR A 45 5.922 -14.820 -6.023 1.00 0.00 H new ATOM 0 HB THR A 45 8.307 -13.270 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.014 -13.992 -8.240 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.410 -15.445 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.219 -15.531 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.813 -16.175 -6.813 1.00 0.00 H new ATOM 720 N PRO A 46 6.336 -13.177 -4.010 1.00 0.00 N ATOM 721 CA PRO A 46 6.172 -12.252 -2.890 1.00 0.00 C ATOM 722 C PRO A 46 6.763 -10.878 -3.186 1.00 0.00 C ATOM 723 O PRO A 46 6.310 -9.867 -2.650 1.00 0.00 O ATOM 724 CB PRO A 46 6.933 -12.936 -1.738 1.00 0.00 C ATOM 725 CG PRO A 46 7.571 -14.153 -2.329 1.00 0.00 C ATOM 726 CD PRO A 46 6.763 -14.497 -3.545 1.00 0.00 C ATOM 0 HA PRO A 46 5.122 -12.066 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.684 -12.268 -1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.255 -13.205 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.610 -13.959 -2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.573 -14.977 -1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.356 -15.021 -4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.915 -15.138 -3.304 1.00 0.00 H new ATOM 734 N GLU A 47 7.779 -10.846 -4.046 1.00 0.00 N ATOM 735 CA GLU A 47 8.428 -9.594 -4.413 1.00 0.00 C ATOM 736 C GLU A 47 8.007 -9.133 -5.809 1.00 0.00 C ATOM 737 O GLU A 47 7.670 -7.968 -6.006 1.00 0.00 O ATOM 738 CB GLU A 47 9.949 -9.753 -4.356 1.00 0.00 C ATOM 739 CG GLU A 47 10.552 -9.359 -3.017 1.00 0.00 C ATOM 740 CD GLU A 47 11.380 -8.092 -3.100 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.055 -7.224 -3.938 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.354 -7.966 -2.327 1.00 0.00 O ATOM 0 H GLU A 47 8.168 -11.672 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 47 8.114 -8.834 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.206 -10.791 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.399 -9.145 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.752 -9.219 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.177 -10.173 -2.650 1.00 0.00 H new ATOM 749 N GLN A 48 8.041 -10.048 -6.777 1.00 0.00 N ATOM 750 CA GLN A 48 7.680 -9.724 -8.157 1.00 0.00 C ATOM 751 C GLN A 48 6.184 -9.465 -8.317 1.00 0.00 C ATOM 752 O GLN A 48 5.730 -9.087 -9.398 1.00 0.00 O ATOM 753 CB GLN A 48 8.119 -10.849 -9.095 1.00 0.00 C ATOM 754 CG GLN A 48 9.464 -10.599 -9.758 1.00 0.00 C ATOM 755 CD GLN A 48 9.327 -10.036 -11.159 1.00 0.00 C ATOM 756 OE1 GLN A 48 9.714 -10.675 -12.138 1.00 0.00 O ATOM 757 NE2 GLN A 48 8.774 -8.834 -11.262 1.00 0.00 N ATOM 0 H GLN A 48 8.315 -11.020 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 48 8.201 -8.804 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.168 -11.781 -8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.362 -10.983 -9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.043 -9.907 -9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.024 -11.533 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.468 -8.340 -10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.655 -8.404 -12.179 1.00 0.00 H new ATOM 766 N ALA A 49 5.420 -9.648 -7.248 1.00 0.00 N ATOM 767 CA ALA A 49 3.987 -9.408 -7.299 1.00 0.00 C ATOM 768 C ALA A 49 3.698 -7.924 -7.130 1.00 0.00 C ATOM 769 O ALA A 49 2.940 -7.334 -7.900 1.00 0.00 O ATOM 770 CB ALA A 49 3.271 -10.219 -6.230 1.00 0.00 C ATOM 0 H ALA A 49 5.767 -9.960 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 49 3.614 -9.726 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.200 -10.026 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.457 -11.281 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.642 -9.932 -5.246 1.00 0.00 H new ATOM 776 N VAL A 50 4.322 -7.323 -6.122 1.00 0.00 N ATOM 777 CA VAL A 50 4.145 -5.902 -5.860 1.00 0.00 C ATOM 778 C VAL A 50 4.979 -5.056 -6.812 1.00 0.00 C ATOM 779 O VAL A 50 4.564 -3.974 -7.208 1.00 0.00 O ATOM 780 CB VAL A 50 4.509 -5.525 -4.410 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.834 -6.152 -4.002 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.552 -4.010 -4.252 1.00 0.00 C ATOM 0 H VAL A 50 4.953 -7.797 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 50 3.086 -5.696 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 50 3.737 -5.918 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.069 -5.871 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.760 -7.237 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.624 -5.797 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.810 -3.759 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.301 -3.595 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.575 -3.591 -4.494 1.00 0.00 H new ATOM 792 N VAL A 51 6.160 -5.543 -7.172 1.00 0.00 N ATOM 793 CA VAL A 51 7.035 -4.801 -8.071 1.00 0.00 C ATOM 794 C VAL A 51 6.277 -4.358 -9.318 1.00 0.00 C ATOM 795 O VAL A 51 6.523 -3.278 -9.854 1.00 0.00 O ATOM 796 CB VAL A 51 8.275 -5.624 -8.483 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.180 -4.818 -9.405 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.045 -6.082 -7.253 1.00 0.00 C ATOM 0 H VAL A 51 6.531 -6.440 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 51 7.379 -3.923 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 51 7.931 -6.504 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.046 -5.419 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.629 -4.541 -10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.513 -3.916 -8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.915 -6.660 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.372 -5.212 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.400 -6.702 -6.630 1.00 0.00 H new ATOM 808 N ARG A 52 5.353 -5.196 -9.776 1.00 0.00 N ATOM 809 CA ARG A 52 4.563 -4.883 -10.959 1.00 0.00 C ATOM 810 C ARG A 52 3.450 -3.889 -10.631 1.00 0.00 C ATOM 811 O ARG A 52 3.073 -3.067 -11.466 1.00 0.00 O ATOM 812 CB ARG A 52 3.970 -6.160 -11.557 1.00 0.00 C ATOM 813 CG ARG A 52 3.227 -5.933 -12.863 1.00 0.00 C ATOM 814 CD ARG A 52 4.092 -6.283 -14.064 1.00 0.00 C ATOM 815 NE ARG A 52 3.933 -5.320 -15.152 1.00 0.00 N ATOM 816 CZ ARG A 52 4.805 -5.176 -16.148 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.897 -5.930 -16.197 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.584 -4.277 -17.097 1.00 0.00 N ATOM 0 H ARG A 52 5.134 -6.095 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 52 5.225 -4.423 -11.693 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.772 -6.879 -11.725 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.288 -6.607 -10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.321 -6.538 -12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.915 -4.891 -12.929 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.138 -6.317 -13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.831 -7.279 -14.421 1.00 0.00 H new ATOM 0 HE ARG A 52 3.106 -4.723 -15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.071 -6.623 -15.470 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.562 -5.816 -16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.746 -3.696 -17.064 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.252 -4.166 -17.860 1.00 0.00 H new ATOM 832 N GLU A 53 2.958 -3.952 -9.402 1.00 0.00 N ATOM 833 CA GLU A 53 1.919 -3.036 -8.944 1.00 0.00 C ATOM 834 C GLU A 53 2.550 -1.690 -8.591 1.00 0.00 C ATOM 835 O GLU A 53 1.963 -0.630 -8.792 1.00 0.00 O ATOM 836 CB GLU A 53 1.196 -3.624 -7.728 1.00 0.00 C ATOM 837 CG GLU A 53 -0.253 -3.994 -7.999 1.00 0.00 C ATOM 838 CD GLU A 53 -0.393 -5.076 -9.051 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.500 -5.946 -9.130 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.395 -5.053 -9.795 1.00 0.00 O ATOM 0 H GLU A 53 3.261 -4.629 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 53 1.188 -2.890 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.732 -4.512 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.231 -2.903 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.717 -4.332 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.796 -3.106 -8.322 1.00 0.00 H new ATOM 847 N LEU A 54 3.743 -1.780 -8.014 1.00 0.00 N ATOM 848 CA LEU A 54 4.462 -0.596 -7.567 1.00 0.00 C ATOM 849 C LEU A 54 4.449 0.429 -8.690 1.00 0.00 C ATOM 850 O LEU A 54 4.119 1.597 -8.481 1.00 0.00 O ATOM 851 CB LEU A 54 5.902 -0.962 -7.197 1.00 0.00 C ATOM 852 CG LEU A 54 6.428 -0.304 -5.923 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.468 -1.304 -4.777 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.803 0.300 -6.162 1.00 0.00 C ATOM 0 H LEU A 54 4.231 -2.660 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 54 3.980 -0.180 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.968 -2.044 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.555 -0.688 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 54 5.746 0.500 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.846 -0.814 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.463 -1.682 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.124 -2.134 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.161 0.764 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.497 -0.484 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.738 1.053 -6.947 1.00 0.00 H new ATOM 866 N GLN A 55 4.799 -0.022 -9.883 1.00 0.00 N ATOM 867 CA GLN A 55 4.821 0.852 -11.055 1.00 0.00 C ATOM 868 C GLN A 55 3.404 1.095 -11.576 1.00 0.00 C ATOM 869 O GLN A 55 3.125 2.122 -12.195 1.00 0.00 O ATOM 870 CB GLN A 55 5.689 0.238 -12.158 1.00 0.00 C ATOM 871 CG GLN A 55 6.838 1.132 -12.594 1.00 0.00 C ATOM 872 CD GLN A 55 6.826 1.416 -14.084 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.723 0.994 -14.815 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.808 2.135 -14.542 1.00 0.00 N ATOM 0 H GLN A 55 5.072 -0.987 -10.070 1.00 0.00 H new ATOM 0 HA GLN A 55 5.249 1.810 -10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.092 -0.712 -11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.062 0.018 -13.022 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.787 2.074 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.783 0.659 -12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.087 2.464 -13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.747 2.358 -15.535 1.00 0.00 H new ATOM 883 N GLU A 56 2.518 0.140 -11.319 1.00 0.00 N ATOM 884 CA GLU A 56 1.130 0.239 -11.757 1.00 0.00 C ATOM 885 C GLU A 56 0.352 1.241 -10.905 1.00 0.00 C ATOM 886 O GLU A 56 -0.621 1.837 -11.364 1.00 0.00 O ATOM 887 CB GLU A 56 0.453 -1.132 -11.693 1.00 0.00 C ATOM 888 CG GLU A 56 -0.381 -1.456 -12.922 1.00 0.00 C ATOM 889 CD GLU A 56 -1.490 -2.446 -12.628 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.859 -2.591 -11.443 1.00 0.00 O ATOM 891 OE2 GLU A 56 -1.992 -3.077 -13.582 1.00 0.00 O ATOM 0 H GLU A 56 2.737 -0.715 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 56 1.130 0.592 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.217 -1.900 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.185 -1.172 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.814 -0.536 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.266 -1.861 -13.700 1.00 0.00 H new ATOM 898 N GLU A 57 0.785 1.414 -9.659 1.00 0.00 N ATOM 899 CA GLU A 57 0.127 2.335 -8.739 1.00 0.00 C ATOM 900 C GLU A 57 0.975 3.584 -8.485 1.00 0.00 C ATOM 901 O GLU A 57 0.629 4.419 -7.649 1.00 0.00 O ATOM 902 CB GLU A 57 -0.197 1.635 -7.421 1.00 0.00 C ATOM 903 CG GLU A 57 -1.421 0.738 -7.497 1.00 0.00 C ATOM 904 CD GLU A 57 -1.084 -0.666 -7.954 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.063 -1.211 -7.488 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.843 -1.221 -8.778 1.00 0.00 O ATOM 0 H GLU A 57 1.590 0.928 -9.264 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.804 2.657 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.662 1.039 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.355 2.387 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.896 0.693 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.146 1.176 -8.183 1.00 0.00 H new ATOM 913 N VAL A 58 2.079 3.715 -9.221 1.00 0.00 N ATOM 914 CA VAL A 58 2.962 4.868 -9.089 1.00 0.00 C ATOM 915 C VAL A 58 3.307 5.417 -10.467 1.00 0.00 C ATOM 916 O VAL A 58 3.270 6.626 -10.695 1.00 0.00 O ATOM 917 CB VAL A 58 4.268 4.507 -8.347 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.154 5.729 -8.185 1.00 0.00 C ATOM 919 CG2 VAL A 58 3.968 3.898 -6.993 1.00 0.00 C ATOM 0 H VAL A 58 2.381 3.033 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 58 2.433 5.621 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 58 4.800 3.770 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.067 5.449 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.408 6.127 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.624 6.489 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.903 3.652 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.407 4.612 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.377 2.991 -7.125 1.00 0.00 H new ATOM 929 N GLY A 59 3.613 4.511 -11.391 1.00 0.00 N ATOM 930 CA GLY A 59 3.930 4.898 -12.754 1.00 0.00 C ATOM 931 C GLY A 59 5.244 5.633 -12.902 1.00 0.00 C ATOM 932 O GLY A 59 5.989 5.407 -13.855 1.00 0.00 O ATOM 0 H GLY A 59 3.647 3.506 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.955 4.004 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.128 5.530 -13.136 1.00 0.00 H new ATOM 936 N ILE A 60 5.518 6.519 -11.970 1.00 0.00 N ATOM 937 CA ILE A 60 6.737 7.306 -11.993 1.00 0.00 C ATOM 938 C ILE A 60 7.933 6.491 -11.523 1.00 0.00 C ATOM 939 O ILE A 60 7.818 5.297 -11.245 1.00 0.00 O ATOM 940 CB ILE A 60 6.637 8.572 -11.110 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.630 8.411 -9.975 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.300 9.790 -11.953 1.00 0.00 C ATOM 943 CD1 ILE A 60 6.063 9.102 -8.698 1.00 0.00 C ATOM 0 H ILE A 60 4.907 6.716 -11.177 1.00 0.00 H new ATOM 0 HA ILE A 60 6.875 7.607 -13.032 1.00 0.00 H new ATOM 0 HB ILE A 60 7.616 8.718 -10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.667 8.813 -10.291 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.482 7.350 -9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.234 10.669 -11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.079 9.943 -12.700 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.344 9.633 -12.453 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.306 8.952 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.011 8.683 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.184 10.169 -8.885 1.00 0.00 H new ATOM 955 N THR A 61 9.080 7.156 -11.441 1.00 0.00 N ATOM 956 CA THR A 61 10.309 6.534 -11.007 1.00 0.00 C ATOM 957 C THR A 61 10.717 7.097 -9.651 1.00 0.00 C ATOM 958 O THR A 61 11.408 8.113 -9.578 1.00 0.00 O ATOM 959 CB THR A 61 11.384 6.840 -12.032 1.00 0.00 C ATOM 960 OG1 THR A 61 11.165 8.112 -12.619 1.00 0.00 O ATOM 961 CG2 THR A 61 11.445 5.826 -13.152 1.00 0.00 C ATOM 0 H THR A 61 9.176 8.144 -11.676 1.00 0.00 H new ATOM 0 HA THR A 61 10.174 5.456 -10.914 1.00 0.00 H new ATOM 0 HB THR A 61 12.326 6.812 -11.484 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.868 8.294 -13.277 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.234 6.103 -13.851 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.656 4.840 -12.739 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.489 5.803 -13.675 1.00 0.00 H new ATOM 969 N PRO A 62 10.246 6.486 -8.557 1.00 0.00 N ATOM 970 CA PRO A 62 10.500 6.955 -7.213 1.00 0.00 C ATOM 971 C PRO A 62 11.414 6.062 -6.389 1.00 0.00 C ATOM 972 O PRO A 62 11.406 4.840 -6.542 1.00 0.00 O ATOM 973 CB PRO A 62 9.088 6.854 -6.658 1.00 0.00 C ATOM 974 CG PRO A 62 8.573 5.567 -7.228 1.00 0.00 C ATOM 975 CD PRO A 62 9.344 5.327 -8.511 1.00 0.00 C ATOM 0 HA PRO A 62 10.999 7.924 -7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.086 6.838 -5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.475 7.702 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.721 4.745 -6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.503 5.630 -7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.893 4.386 -8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.686 5.289 -9.379 1.00 0.00 H new ATOM 983 N GLN A 63 12.137 6.670 -5.451 1.00 0.00 N ATOM 984 CA GLN A 63 12.969 5.902 -4.548 1.00 0.00 C ATOM 985 C GLN A 63 12.012 5.253 -3.566 1.00 0.00 C ATOM 986 O GLN A 63 11.764 5.760 -2.473 1.00 0.00 O ATOM 987 CB GLN A 63 13.974 6.799 -3.827 1.00 0.00 C ATOM 988 CG GLN A 63 15.108 7.274 -4.718 1.00 0.00 C ATOM 989 CD GLN A 63 16.067 8.205 -4.000 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.735 7.809 -3.045 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.137 9.449 -4.458 1.00 0.00 N ATOM 0 H GLN A 63 12.160 7.679 -5.303 1.00 0.00 H new ATOM 0 HA GLN A 63 13.560 5.158 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.451 7.666 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.391 6.256 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.658 6.410 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.692 7.786 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.564 9.733 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.764 10.121 -4.015 1.00 0.00 H new ATOM 1000 N HIS A 64 11.431 4.158 -4.019 1.00 0.00 N ATOM 1001 CA HIS A 64 10.427 3.438 -3.256 1.00 0.00 C ATOM 1002 C HIS A 64 10.806 1.978 -3.093 1.00 0.00 C ATOM 1003 O HIS A 64 11.167 1.306 -4.059 1.00 0.00 O ATOM 1004 CB HIS A 64 9.089 3.593 -3.993 1.00 0.00 C ATOM 1005 CG HIS A 64 7.990 2.635 -3.606 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.655 2.979 -3.682 1.00 0.00 N ATOM 1007 CD2 HIS A 64 8.014 1.347 -3.172 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.912 1.950 -3.312 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.712 0.951 -2.999 1.00 0.00 N ATOM 0 H HIS A 64 11.641 3.742 -4.926 1.00 0.00 H new ATOM 0 HA HIS A 64 10.349 3.848 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.728 4.609 -3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.274 3.485 -5.062 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.297 3.887 -3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.895 0.747 -2.996 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.833 1.931 -3.273 1.00 0.00 H new ATOM 1018 N PHE A 65 10.719 1.491 -1.859 1.00 0.00 N ATOM 1019 CA PHE A 65 11.048 0.119 -1.559 1.00 0.00 C ATOM 1020 C PHE A 65 10.962 -0.137 -0.056 1.00 0.00 C ATOM 1021 O PHE A 65 10.500 0.710 0.700 1.00 0.00 O ATOM 1022 CB PHE A 65 12.457 -0.165 -2.041 1.00 0.00 C ATOM 1023 CG PHE A 65 12.611 -1.452 -2.811 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.701 -2.491 -2.664 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.665 -1.614 -3.697 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.841 -3.662 -3.385 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.811 -2.786 -4.417 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.897 -3.809 -4.262 1.00 0.00 C ATOM 0 H PHE A 65 10.420 2.038 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 65 10.338 -0.537 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.784 0.661 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.123 -0.191 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.874 -2.383 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.381 -0.816 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.125 -4.461 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.640 -2.901 -5.100 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.008 -4.723 -4.826 1.00 0.00 H new ATOM 1038 N SER A 66 11.418 -1.309 0.366 1.00 0.00 N ATOM 1039 CA SER A 66 11.408 -1.690 1.774 1.00 0.00 C ATOM 1040 C SER A 66 9.988 -1.946 2.240 1.00 0.00 C ATOM 1041 O SER A 66 9.039 -1.508 1.598 1.00 0.00 O ATOM 1042 CB SER A 66 12.055 -0.600 2.634 1.00 0.00 C ATOM 1043 OG SER A 66 13.103 0.048 1.933 1.00 0.00 O ATOM 0 H SER A 66 11.804 -2.021 -0.255 1.00 0.00 H new ATOM 0 HA SER A 66 11.987 -2.607 1.884 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.302 0.132 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.445 -1.040 3.552 1.00 0.00 H new ATOM 0 HG SER A 66 13.498 0.740 2.503 1.00 0.00 H new ATOM 1049 N LEU A 67 9.845 -2.663 3.349 1.00 0.00 N ATOM 1050 CA LEU A 67 8.527 -2.979 3.885 1.00 0.00 C ATOM 1051 C LEU A 67 8.403 -2.525 5.337 1.00 0.00 C ATOM 1052 O LEU A 67 9.201 -2.914 6.188 1.00 0.00 O ATOM 1053 CB LEU A 67 8.251 -4.488 3.740 1.00 0.00 C ATOM 1054 CG LEU A 67 8.092 -5.284 5.042 1.00 0.00 C ATOM 1055 CD1 LEU A 67 7.357 -6.589 4.777 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.451 -5.557 5.668 1.00 0.00 C ATOM 0 H LEU A 67 10.623 -3.035 3.893 1.00 0.00 H new ATOM 0 HA LEU A 67 7.775 -2.436 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.343 -4.613 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.066 -4.930 3.167 1.00 0.00 H new ATOM 0 HG LEU A 67 7.504 -4.690 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.252 -7.143 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.369 -6.374 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.923 -7.186 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.320 -6.122 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.062 -6.133 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.946 -4.612 5.889 1.00 0.00 H new ATOM 1068 N PHE A 68 7.407 -1.683 5.613 1.00 0.00 N ATOM 1069 CA PHE A 68 7.200 -1.168 6.959 1.00 0.00 C ATOM 1070 C PHE A 68 6.571 -2.237 7.854 1.00 0.00 C ATOM 1071 O PHE A 68 7.056 -2.503 8.953 1.00 0.00 O ATOM 1072 CB PHE A 68 6.314 0.094 6.910 1.00 0.00 C ATOM 1073 CG PHE A 68 5.045 0.004 7.720 1.00 0.00 C ATOM 1074 CD1 PHE A 68 3.904 -0.570 7.184 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.998 0.493 9.016 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.740 -0.658 7.923 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.836 0.409 9.761 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.705 -0.167 9.214 1.00 0.00 C ATOM 0 H PHE A 68 6.735 -1.346 4.923 1.00 0.00 H new ATOM 0 HA PHE A 68 8.167 -0.899 7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.896 0.944 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.053 0.298 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.925 -0.954 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.878 0.945 9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.859 -1.110 7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.812 0.793 10.770 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.796 -0.233 9.794 1.00 0.00 H new ATOM 1088 N GLU A 69 5.491 -2.845 7.373 1.00 0.00 N ATOM 1089 CA GLU A 69 4.799 -3.883 8.130 1.00 0.00 C ATOM 1090 C GLU A 69 3.910 -4.728 7.224 1.00 0.00 C ATOM 1091 O GLU A 69 3.209 -4.213 6.359 1.00 0.00 O ATOM 1092 CB GLU A 69 3.964 -3.261 9.251 1.00 0.00 C ATOM 1093 CG GLU A 69 4.284 -3.817 10.628 1.00 0.00 C ATOM 1094 CD GLU A 69 3.516 -3.118 11.733 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.296 -2.908 11.567 1.00 0.00 O ATOM 1096 OE2 GLU A 69 4.136 -2.778 12.764 1.00 0.00 O ATOM 0 H GLU A 69 5.077 -2.638 6.464 1.00 0.00 H new ATOM 0 HA GLU A 69 5.555 -4.534 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.125 -2.183 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.907 -3.424 9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.053 -4.882 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.353 -3.719 10.816 1.00 0.00 H new ATOM 1103 N LYS A 70 3.935 -6.029 7.442 1.00 0.00 N ATOM 1104 CA LYS A 70 3.130 -6.955 6.655 1.00 0.00 C ATOM 1105 C LYS A 70 2.257 -7.802 7.580 1.00 0.00 C ATOM 1106 O LYS A 70 2.749 -8.327 8.579 1.00 0.00 O ATOM 1107 CB LYS A 70 4.030 -7.853 5.797 1.00 0.00 C ATOM 1108 CG LYS A 70 4.698 -8.984 6.567 1.00 0.00 C ATOM 1109 CD LYS A 70 5.666 -8.457 7.613 1.00 0.00 C ATOM 1110 CE LYS A 70 6.888 -9.352 7.744 1.00 0.00 C ATOM 1111 NZ LYS A 70 8.010 -8.892 6.881 1.00 0.00 N ATOM 0 H LYS A 70 4.506 -6.474 8.161 1.00 0.00 H new ATOM 0 HA LYS A 70 2.485 -6.382 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.435 -8.280 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.802 -7.238 5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.936 -9.594 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.231 -9.632 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.980 -7.448 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.160 -8.387 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.214 -9.370 8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.620 -10.374 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.855 -9.466 7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.743 -8.995 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.217 -7.893 7.083 1.00 0.00 H new ATOM 1125 N LEU A 71 0.970 -7.946 7.261 1.00 0.00 N ATOM 1126 CA LEU A 71 0.095 -8.741 8.103 1.00 0.00 C ATOM 1127 C LEU A 71 -0.218 -10.105 7.482 1.00 0.00 C ATOM 1128 O LEU A 71 -0.843 -10.210 6.427 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.208 -7.980 8.366 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.336 -8.819 8.969 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.762 -8.261 10.319 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.520 -8.890 8.017 1.00 0.00 C ATOM 0 H LEU A 71 0.524 -7.530 6.443 1.00 0.00 H new ATOM 0 HA LEU A 71 0.617 -8.918 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.996 -7.148 9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.557 -7.551 7.427 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.962 -9.831 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.565 -8.873 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.912 -8.272 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.114 -7.237 10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.311 -9.491 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.893 -7.884 7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.205 -9.346 7.078 1.00 0.00 H new ATOM 1144 N GLU A 72 0.250 -11.134 8.172 1.00 0.00 N ATOM 1145 CA GLU A 72 0.052 -12.508 7.721 1.00 0.00 C ATOM 1146 C GLU A 72 -0.814 -13.302 8.692 1.00 0.00 C ATOM 1147 O GLU A 72 -0.386 -13.659 9.789 1.00 0.00 O ATOM 1148 CB GLU A 72 1.398 -13.203 7.504 1.00 0.00 C ATOM 1149 CG GLU A 72 1.877 -13.151 6.063 1.00 0.00 C ATOM 1150 CD GLU A 72 3.344 -12.783 5.948 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.733 -11.724 6.481 1.00 0.00 O ATOM 1152 OE2 GLU A 72 4.101 -13.556 5.325 1.00 0.00 O ATOM 0 H GLU A 72 0.769 -11.047 9.046 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.477 -12.468 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.147 -12.738 8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.315 -14.245 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.712 -14.121 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.280 -12.425 5.512 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.041 -13.580 8.254 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.001 -14.340 9.044 1.00 0.00 C ATOM 1161 C TYR A 73 -3.825 -15.259 8.145 1.00 0.00 C ATOM 1162 O TYR A 73 -4.345 -14.825 7.118 1.00 0.00 O ATOM 1163 CB TYR A 73 -3.924 -13.393 9.813 1.00 0.00 C ATOM 1164 CG TYR A 73 -4.427 -13.964 11.120 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -3.545 -14.279 12.148 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -5.783 -14.186 11.328 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -4.001 -14.800 13.344 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -6.245 -14.707 12.521 1.00 0.00 C ATOM 1169 CZ TYR A 73 -5.352 -15.013 13.525 1.00 0.00 C ATOM 1170 OH TYR A 73 -5.809 -15.531 14.715 1.00 0.00 O ATOM 0 H TYR A 73 -2.394 -13.285 7.344 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.451 -14.953 9.758 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.391 -12.464 10.014 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.778 -13.141 9.184 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.487 -14.114 12.009 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.487 -13.947 10.544 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.303 -15.039 14.133 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.302 -14.874 12.666 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.784 -15.618 14.681 1.00 0.00 H new ATOM 1180 N GLU A 74 -3.958 -16.520 8.536 1.00 0.00 N ATOM 1181 CA GLU A 74 -4.742 -17.471 7.752 1.00 0.00 C ATOM 1182 C GLU A 74 -5.874 -18.070 8.577 1.00 0.00 C ATOM 1183 O GLU A 74 -5.643 -18.746 9.580 1.00 0.00 O ATOM 1184 CB GLU A 74 -3.865 -18.583 7.176 1.00 0.00 C ATOM 1185 CG GLU A 74 -2.841 -19.131 8.156 1.00 0.00 C ATOM 1186 CD GLU A 74 -1.604 -19.672 7.466 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -0.857 -18.867 6.872 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.383 -20.900 7.519 1.00 0.00 O ATOM 0 H GLU A 74 -3.539 -16.907 9.382 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.177 -16.915 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.505 -19.399 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.345 -18.203 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.550 -18.343 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.298 -19.924 8.748 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.100 -17.817 8.136 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.284 -18.316 8.800 1.00 0.00 C ATOM 1197 C PHE A 75 -8.562 -19.761 8.383 1.00 0.00 C ATOM 1198 O PHE A 75 -8.026 -20.233 7.385 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.468 -17.420 8.448 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.565 -16.181 9.292 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.217 -16.206 10.515 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -9.003 -14.989 8.859 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.306 -15.065 11.290 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -9.090 -13.846 9.631 1.00 0.00 C ATOM 1205 CZ PHE A 75 -9.742 -13.884 10.848 1.00 0.00 C ATOM 0 H PHE A 75 -7.295 -17.258 7.305 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.128 -18.302 9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.392 -17.129 7.400 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.389 -17.993 8.554 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.660 -17.126 10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.492 -14.954 7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.817 -15.097 12.241 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.649 -12.924 9.283 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.811 -12.992 11.453 1.00 0.00 H new ATOM 1215 N PRO A 76 -9.406 -20.479 9.147 1.00 0.00 N ATOM 1216 CA PRO A 76 -9.772 -21.871 8.872 1.00 0.00 C ATOM 1217 C PRO A 76 -10.029 -22.126 7.390 1.00 0.00 C ATOM 1218 O PRO A 76 -11.170 -22.094 6.932 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.064 -22.075 9.686 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.383 -20.738 10.280 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.086 -19.992 10.336 1.00 0.00 C ATOM 0 HA PRO A 76 -8.971 -22.559 9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.877 -22.425 9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.923 -22.825 10.464 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.114 -20.205 9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.814 -20.846 11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.235 -18.913 10.308 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.527 -20.213 11.245 1.00 0.00 H new ATOM 1229 N ASP A 77 -8.942 -22.367 6.661 1.00 0.00 N ATOM 1230 CA ASP A 77 -8.978 -22.627 5.214 1.00 0.00 C ATOM 1231 C ASP A 77 -8.565 -21.382 4.437 1.00 0.00 C ATOM 1232 O ASP A 77 -8.029 -21.471 3.332 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.363 -23.095 4.752 1.00 0.00 C ATOM 1234 CG ASP A 77 -10.323 -23.767 3.393 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -9.313 -24.436 3.090 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -11.303 -23.624 2.631 1.00 0.00 O ATOM 0 H ASP A 77 -8.002 -22.389 7.056 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.269 -23.430 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.772 -23.789 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.038 -22.240 4.712 1.00 0.00 H new ATOM 1241 N ARG A 78 -8.808 -20.223 5.034 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.459 -18.947 4.427 1.00 0.00 C ATOM 1243 C ARG A 78 -6.963 -18.675 4.551 1.00 0.00 C ATOM 1244 O ARG A 78 -6.310 -19.133 5.488 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.253 -17.806 5.054 1.00 0.00 C ATOM 1246 CG ARG A 78 -9.506 -16.654 4.094 1.00 0.00 C ATOM 1247 CD ARG A 78 -10.886 -16.050 4.296 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.886 -16.664 3.424 1.00 0.00 N ATOM 1249 CZ ARG A 78 -13.043 -16.089 3.103 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.355 -14.891 3.581 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.893 -16.717 2.300 1.00 0.00 N ATOM 0 H ARG A 78 -9.251 -20.141 5.949 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.715 -19.005 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.209 -18.190 5.410 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.714 -17.433 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.747 -15.885 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.410 -17.007 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.187 -16.174 5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.845 -14.978 4.102 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.685 -17.587 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.706 -14.404 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.244 -14.457 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.659 -17.638 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.780 -16.278 2.053 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.443 -17.895 3.614 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.041 -17.508 3.611 1.00 0.00 C ATOM 1267 C HIS A 79 -4.909 -16.097 3.046 1.00 0.00 C ATOM 1268 O HIS A 79 -5.110 -15.885 1.851 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.205 -18.492 2.790 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.467 -19.928 3.124 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -4.192 -20.477 4.360 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -4.982 -20.934 2.375 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -4.525 -21.755 4.356 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -5.007 -22.057 3.165 1.00 0.00 N ATOM 0 H HIS A 79 -6.981 -17.514 2.836 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.667 -17.526 4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.407 -18.332 1.731 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.148 -18.278 2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.311 -20.865 1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.421 -22.437 5.187 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.344 -22.976 2.878 1.00 0.00 H new ATOM 1283 N ILE A 80 -4.571 -15.130 3.891 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.419 -13.760 3.446 1.00 0.00 C ATOM 1285 C ILE A 80 -3.051 -13.228 3.852 1.00 0.00 C ATOM 1286 O ILE A 80 -2.569 -13.511 4.949 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.518 -12.856 4.037 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.263 -11.406 3.653 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.571 -13.001 5.549 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.516 -10.560 3.598 1.00 0.00 C ATOM 0 H ILE A 80 -4.398 -15.274 4.886 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.510 -13.749 2.360 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.480 -13.164 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.570 -10.966 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.774 -11.378 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.353 -12.355 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.788 -14.037 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.610 -12.714 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.254 -9.540 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.203 -10.974 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.995 -10.556 4.577 1.00 0.00 H new ATOM 1302 N THR A 81 -2.422 -12.469 2.965 1.00 0.00 N ATOM 1303 CA THR A 81 -1.115 -11.918 3.236 1.00 0.00 C ATOM 1304 C THR A 81 -1.072 -10.435 2.884 1.00 0.00 C ATOM 1305 O THR A 81 -1.268 -10.057 1.729 1.00 0.00 O ATOM 1306 CB THR A 81 -0.084 -12.674 2.413 1.00 0.00 C ATOM 1307 OG1 THR A 81 -0.702 -13.327 1.319 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.671 -13.721 3.196 1.00 0.00 C ATOM 0 H THR A 81 -2.803 -12.224 2.051 1.00 0.00 H new ATOM 0 HA THR A 81 -0.895 -12.022 4.298 1.00 0.00 H new ATOM 0 HB THR A 81 0.625 -11.915 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.548 -14.293 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.388 -14.218 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.201 -13.246 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.030 -14.456 3.590 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.813 -9.599 3.881 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.742 -8.161 3.664 1.00 0.00 C ATOM 1318 C LEU A 82 0.700 -7.676 3.766 1.00 0.00 C ATOM 1319 O LEU A 82 1.302 -7.733 4.830 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.613 -7.436 4.697 1.00 0.00 C ATOM 1321 CG LEU A 82 -2.636 -6.452 4.124 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -3.581 -7.156 3.170 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.418 -5.784 5.245 1.00 0.00 C ATOM 0 H LEU A 82 -0.649 -9.891 4.844 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.112 -7.940 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.145 -8.183 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.960 -6.896 5.382 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.097 -5.684 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.300 -6.438 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.012 -7.590 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.112 -7.946 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.141 -5.088 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.943 -6.543 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.731 -5.242 5.895 1.00 0.00 H new ATOM 1335 N TRP A 83 1.255 -7.208 2.656 1.00 0.00 N ATOM 1336 CA TRP A 83 2.633 -6.724 2.645 1.00 0.00 C ATOM 1337 C TRP A 83 2.678 -5.222 2.421 1.00 0.00 C ATOM 1338 O TRP A 83 2.189 -4.724 1.412 1.00 0.00 O ATOM 1339 CB TRP A 83 3.443 -7.426 1.554 1.00 0.00 C ATOM 1340 CG TRP A 83 3.597 -8.895 1.781 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.685 -9.728 2.353 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.728 -9.707 1.445 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.171 -11.008 2.391 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.425 -11.023 1.841 1.00 0.00 C ATOM 1345 CE3 TRP A 83 5.964 -9.450 0.847 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.315 -12.079 1.657 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 6.847 -10.499 0.666 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.518 -11.799 1.069 1.00 0.00 C ATOM 0 H TRP A 83 0.778 -7.152 1.756 1.00 0.00 H new ATOM 0 HA TRP A 83 3.071 -6.950 3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 83 2.959 -7.264 0.591 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.431 -6.970 1.495 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.717 -9.423 2.724 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.679 -11.818 2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.225 -8.451 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.064 -13.083 1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.806 -10.312 0.206 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.229 -12.597 0.912 1.00 0.00 H new ATOM 1359 N PHE A 84 3.288 -4.504 3.355 1.00 0.00 N ATOM 1360 CA PHE A 84 3.406 -3.057 3.226 1.00 0.00 C ATOM 1361 C PHE A 84 4.852 -2.679 2.909 1.00 0.00 C ATOM 1362 O PHE A 84 5.777 -3.128 3.583 1.00 0.00 O ATOM 1363 CB PHE A 84 2.925 -2.328 4.491 1.00 0.00 C ATOM 1364 CG PHE A 84 1.459 -2.528 4.796 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.886 -3.787 4.716 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.649 -1.453 5.152 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.454 -3.974 4.982 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.695 -1.638 5.415 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.247 -2.901 5.330 1.00 0.00 C ATOM 0 H PHE A 84 3.704 -4.894 4.201 1.00 0.00 H new ATOM 0 HA PHE A 84 2.762 -2.741 2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.513 -2.672 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.120 -1.261 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.498 -4.634 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.076 -0.463 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.883 -4.963 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.313 -0.795 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.297 -3.048 5.536 1.00 0.00 H new ATOM 1379 N TRP A 85 5.041 -1.858 1.877 1.00 0.00 N ATOM 1380 CA TRP A 85 6.378 -1.431 1.472 1.00 0.00 C ATOM 1381 C TRP A 85 6.641 0.010 1.901 1.00 0.00 C ATOM 1382 O TRP A 85 5.912 0.919 1.502 1.00 0.00 O ATOM 1383 CB TRP A 85 6.540 -1.564 -0.043 1.00 0.00 C ATOM 1384 CG TRP A 85 6.413 -2.977 -0.523 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.257 -3.648 -0.798 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.482 -3.895 -0.781 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.541 -4.927 -1.210 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.901 -5.102 -1.209 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.875 -3.811 -0.691 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.663 -6.217 -1.546 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.631 -4.919 -1.027 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.024 -6.107 -1.450 1.00 0.00 C ATOM 0 H TRP A 85 4.286 -1.476 1.307 1.00 0.00 H new ATOM 0 HA TRP A 85 7.105 -2.076 1.965 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.789 -0.949 -0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.515 -1.173 -0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.264 -3.234 -0.705 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.852 -5.632 -1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.351 -2.898 -0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.197 -7.136 -1.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.708 -4.867 -0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.642 -6.955 -1.706 1.00 0.00 H new ATOM 1403 N LEU A 86 7.655 0.221 2.745 1.00 0.00 N ATOM 1404 CA LEU A 86 7.930 1.570 3.227 1.00 0.00 C ATOM 1405 C LEU A 86 8.746 2.392 2.227 1.00 0.00 C ATOM 1406 O LEU A 86 9.970 2.292 2.159 1.00 0.00 O ATOM 1407 CB LEU A 86 8.674 1.501 4.562 1.00 0.00 C ATOM 1408 CG LEU A 86 8.630 2.780 5.397 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.435 3.884 4.728 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.190 3.225 5.613 1.00 0.00 C ATOM 0 H LEU A 86 8.280 -0.503 3.098 1.00 0.00 H new ATOM 0 HA LEU A 86 6.970 2.070 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.255 0.686 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.716 1.249 4.366 1.00 0.00 H new ATOM 0 HG LEU A 86 9.077 2.572 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.392 4.787 5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.472 3.566 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.019 4.092 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.177 4.137 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.719 3.415 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.642 2.441 6.136 1.00 0.00 H new ATOM 1422 N VAL A 87 8.029 3.209 1.467 1.00 0.00 N ATOM 1423 CA VAL A 87 8.609 4.082 0.445 1.00 0.00 C ATOM 1424 C VAL A 87 9.373 5.232 1.047 1.00 0.00 C ATOM 1425 O VAL A 87 9.017 5.734 2.113 1.00 0.00 O ATOM 1426 CB VAL A 87 7.537 4.663 -0.461 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.150 5.396 -1.643 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.602 3.557 -0.918 1.00 0.00 C ATOM 0 H VAL A 87 7.015 3.288 1.541 1.00 0.00 H new ATOM 0 HA VAL A 87 9.290 3.453 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 87 6.961 5.397 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.357 5.800 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.776 6.211 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.757 4.703 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.834 3.976 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.169 2.804 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.131 3.096 -0.049 1.00 0.00 H new ATOM 1438 N GLU A 88 10.432 5.642 0.369 1.00 0.00 N ATOM 1439 CA GLU A 88 11.234 6.736 0.878 1.00 0.00 C ATOM 1440 C GLU A 88 11.165 8.012 0.028 1.00 0.00 C ATOM 1441 O GLU A 88 11.316 9.108 0.567 1.00 0.00 O ATOM 1442 CB GLU A 88 12.689 6.297 1.046 1.00 0.00 C ATOM 1443 CG GLU A 88 13.272 5.635 -0.190 1.00 0.00 C ATOM 1444 CD GLU A 88 14.662 5.078 0.048 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.604 5.883 0.212 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.810 3.838 0.069 1.00 0.00 O ATOM 0 H GLU A 88 10.749 5.243 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 88 10.804 6.993 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.295 7.166 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.756 5.604 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.612 4.829 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.309 6.360 -1.003 1.00 0.00 H new ATOM 1453 N ARG A 89 10.961 7.899 -1.286 1.00 0.00 N ATOM 1454 CA ARG A 89 10.913 9.097 -2.126 1.00 0.00 C ATOM 1455 C ARG A 89 10.271 8.807 -3.481 1.00 0.00 C ATOM 1456 O ARG A 89 10.147 7.651 -3.882 1.00 0.00 O ATOM 1457 CB ARG A 89 12.339 9.665 -2.277 1.00 0.00 C ATOM 1458 CG ARG A 89 12.672 10.268 -3.640 1.00 0.00 C ATOM 1459 CD ARG A 89 12.268 11.732 -3.715 1.00 0.00 C ATOM 1460 NE ARG A 89 13.359 12.621 -3.323 1.00 0.00 N ATOM 1461 CZ ARG A 89 14.500 12.739 -4.000 1.00 0.00 C ATOM 1462 NH1 ARG A 89 14.703 12.025 -5.100 1.00 0.00 N ATOM 1463 NH2 ARG A 89 15.439 13.572 -3.574 1.00 0.00 N ATOM 0 H ARG A 89 10.830 7.017 -1.781 1.00 0.00 H new ATOM 0 HA ARG A 89 10.284 9.846 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.488 10.431 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 89 13.052 8.867 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.741 10.174 -3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.160 9.708 -4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.954 11.970 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.409 11.905 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 89 13.240 13.185 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.983 11.382 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.579 12.119 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.287 14.122 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.313 13.663 -4.092 1.00 0.00 H new ATOM 1477 N TRP A 90 9.885 9.869 -4.191 1.00 0.00 N ATOM 1478 CA TRP A 90 9.280 9.721 -5.510 1.00 0.00 C ATOM 1479 C TRP A 90 9.590 10.920 -6.406 1.00 0.00 C ATOM 1480 O TRP A 90 9.387 12.069 -6.012 1.00 0.00 O ATOM 1481 CB TRP A 90 7.765 9.501 -5.391 1.00 0.00 C ATOM 1482 CG TRP A 90 6.961 10.757 -5.244 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.703 11.687 -6.210 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.293 11.210 -4.063 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.919 12.692 -5.700 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.652 12.421 -4.384 1.00 0.00 C ATOM 1487 CE3 TRP A 90 6.176 10.708 -2.766 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.901 13.137 -3.453 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.431 11.420 -1.843 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.802 12.621 -2.190 1.00 0.00 C ATOM 0 H TRP A 90 9.981 10.834 -3.875 1.00 0.00 H new ATOM 0 HA TRP A 90 9.718 8.840 -5.979 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.419 8.965 -6.275 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.571 8.859 -4.532 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.063 11.639 -7.227 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.589 13.507 -6.217 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.658 9.782 -2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.416 14.064 -3.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.333 11.042 -0.836 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.227 13.151 -1.445 1.00 0.00 H new ATOM 1501 N GLU A 91 10.085 10.643 -7.613 1.00 0.00 N ATOM 1502 CA GLU A 91 10.421 11.700 -8.559 1.00 0.00 C ATOM 1503 C GLU A 91 9.170 12.213 -9.265 1.00 0.00 C ATOM 1504 O GLU A 91 8.220 11.462 -9.487 1.00 0.00 O ATOM 1505 CB GLU A 91 11.430 11.189 -9.590 1.00 0.00 C ATOM 1506 CG GLU A 91 12.283 12.288 -10.201 1.00 0.00 C ATOM 1507 CD GLU A 91 11.878 12.618 -11.625 1.00 0.00 C ATOM 1508 OE1 GLU A 91 10.992 13.479 -11.806 1.00 0.00 O ATOM 1509 OE2 GLU A 91 12.447 12.015 -12.559 1.00 0.00 O ATOM 0 H GLU A 91 10.261 9.698 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 91 10.867 12.524 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.082 10.456 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.894 10.672 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.206 13.186 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.329 11.981 -10.187 1.00 0.00 H new ATOM 1516 N GLY A 92 9.176 13.495 -9.611 1.00 0.00 N ATOM 1517 CA GLY A 92 8.033 14.085 -10.285 1.00 0.00 C ATOM 1518 C GLY A 92 6.763 13.982 -9.466 1.00 0.00 C ATOM 1519 O GLY A 92 6.676 14.537 -8.371 1.00 0.00 O ATOM 0 H GLY A 92 9.950 14.136 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.241 15.134 -10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.885 13.589 -11.244 1.00 0.00 H new ATOM 1523 N GLU A 93 5.774 13.268 -9.995 1.00 0.00 N ATOM 1524 CA GLU A 93 4.503 13.093 -9.303 1.00 0.00 C ATOM 1525 C GLU A 93 4.046 11.637 -9.363 1.00 0.00 C ATOM 1526 O GLU A 93 4.200 10.977 -10.389 1.00 0.00 O ATOM 1527 CB GLU A 93 3.436 14.000 -9.919 1.00 0.00 C ATOM 1528 CG GLU A 93 3.597 15.466 -9.550 1.00 0.00 C ATOM 1529 CD GLU A 93 2.270 16.197 -9.476 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.240 15.535 -9.231 1.00 0.00 O ATOM 1531 OE2 GLU A 93 2.262 17.432 -9.662 1.00 0.00 O ATOM 0 H GLU A 93 5.829 12.802 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 93 4.645 13.367 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.469 13.901 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.452 13.659 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.103 15.541 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.236 15.954 -10.286 1.00 0.00 H new ATOM 1538 N PRO A 94 3.466 11.114 -8.265 1.00 0.00 N ATOM 1539 CA PRO A 94 2.975 9.737 -8.201 1.00 0.00 C ATOM 1540 C PRO A 94 1.656 9.588 -8.939 1.00 0.00 C ATOM 1541 O PRO A 94 0.725 10.361 -8.710 1.00 0.00 O ATOM 1542 CB PRO A 94 2.784 9.482 -6.694 1.00 0.00 C ATOM 1543 CG PRO A 94 3.309 10.703 -6.006 1.00 0.00 C ATOM 1544 CD PRO A 94 3.215 11.815 -7.006 1.00 0.00 C ATOM 0 HA PRO A 94 3.660 9.030 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.733 9.319 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.325 8.591 -6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.724 10.930 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.339 10.556 -5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.236 12.293 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.953 12.595 -6.819 1.00 0.00 H new ATOM 1552 N TRP A 95 1.569 8.609 -9.833 1.00 0.00 N ATOM 1553 CA TRP A 95 0.340 8.416 -10.586 1.00 0.00 C ATOM 1554 C TRP A 95 -0.053 6.951 -10.713 1.00 0.00 C ATOM 1555 O TRP A 95 -1.098 6.536 -10.212 1.00 0.00 O ATOM 1556 CB TRP A 95 0.451 9.039 -11.984 1.00 0.00 C ATOM 1557 CG TRP A 95 1.693 8.660 -12.756 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.898 9.296 -12.725 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.843 7.573 -13.688 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.785 8.687 -13.587 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.159 7.631 -14.189 1.00 0.00 C ATOM 1562 CE3 TRP A 95 0.996 6.558 -14.147 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.641 6.723 -15.130 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.478 5.656 -15.077 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.788 5.745 -15.563 1.00 0.00 C ATOM 0 H TRP A 95 2.318 7.951 -10.050 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.443 8.920 -10.020 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.423 8.747 -12.566 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.420 10.124 -11.885 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.126 10.155 -12.112 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.750 8.977 -13.749 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.017 6.481 -13.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.652 6.789 -15.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.832 4.868 -15.435 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.132 5.028 -16.294 1.00 0.00 H new ATOM 1576 N GLY A 96 0.776 6.181 -11.404 1.00 0.00 N ATOM 1577 CA GLY A 96 0.493 4.770 -11.617 1.00 0.00 C ATOM 1578 C GLY A 96 -0.966 4.502 -11.947 1.00 0.00 C ATOM 1579 O GLY A 96 -1.378 4.604 -13.102 1.00 0.00 O ATOM 0 H GLY A 96 1.646 6.508 -11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.118 4.398 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.766 4.211 -10.722 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.743 4.162 -10.918 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.170 3.873 -11.067 1.00 0.00 C ATOM 1585 C LYS A 97 -3.714 3.247 -9.782 1.00 0.00 C ATOM 1586 O LYS A 97 -4.420 2.238 -9.819 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.418 2.929 -12.251 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.884 2.578 -12.456 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.245 2.528 -13.931 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.253 1.100 -14.454 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.892 0.648 -14.856 1.00 0.00 N ATOM 0 H LYS A 97 -1.402 4.079 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.689 4.812 -11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.034 3.392 -13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.852 2.011 -12.097 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.096 1.613 -11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.509 3.315 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.226 2.978 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.531 3.122 -14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.644 0.434 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.926 1.030 -15.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.940 -0.330 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.528 1.268 -15.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.256 0.690 -14.035 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.373 3.848 -8.646 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.817 3.346 -7.350 1.00 0.00 C ATOM 1607 C GLU A 98 -5.278 3.703 -7.086 1.00 0.00 C ATOM 1608 O GLU A 98 -6.071 2.845 -6.696 1.00 0.00 O ATOM 1609 CB GLU A 98 -2.930 3.903 -6.234 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.015 5.413 -6.083 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.042 5.952 -5.053 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.305 5.783 -3.843 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -1.018 6.541 -5.455 1.00 0.00 O ATOM 0 H GLU A 98 -2.790 4.684 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.733 2.259 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.212 3.436 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.895 3.624 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.816 5.882 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.030 5.689 -5.798 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.632 4.968 -7.298 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.003 5.392 -7.071 1.00 0.00 C ATOM 1622 C GLY A 99 -7.201 6.889 -7.235 1.00 0.00 C ATOM 1623 O GLY A 99 -6.694 7.492 -8.180 1.00 0.00 O ATOM 0 H GLY A 99 -5.000 5.701 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.659 4.867 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.305 5.100 -6.065 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.956 7.481 -6.314 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.244 8.913 -6.350 1.00 0.00 C ATOM 1629 C GLN A 100 -7.053 9.742 -5.894 1.00 0.00 C ATOM 1630 O GLN A 100 -6.449 9.474 -4.855 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.466 9.228 -5.484 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.594 8.218 -5.631 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.862 7.446 -4.353 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.175 7.625 -3.348 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -11.869 6.580 -4.386 1.00 0.00 N ATOM 0 H GLN A 100 -8.382 6.988 -5.529 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.455 9.180 -7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.159 9.268 -4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.840 10.218 -5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.503 8.737 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.346 7.517 -6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.413 6.463 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.098 6.032 -3.557 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.707 10.771 -6.681 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.587 11.670 -6.388 1.00 0.00 C ATOM 1646 C PRO A 101 -5.523 12.099 -4.921 1.00 0.00 C ATOM 1647 O PRO A 101 -6.550 12.283 -4.268 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.906 12.865 -7.274 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.542 12.264 -8.471 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.386 11.143 -7.942 1.00 0.00 C ATOM 0 HA PRO A 101 -4.620 11.201 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.576 13.565 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.005 13.419 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.148 12.996 -9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.793 11.897 -9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.414 11.461 -7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.426 10.306 -8.639 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.301 12.256 -4.417 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.099 12.663 -3.037 1.00 0.00 C ATOM 1660 C GLY A 102 -3.053 13.759 -2.899 1.00 0.00 C ATOM 1661 O GLY A 102 -2.449 14.177 -3.885 1.00 0.00 O ATOM 0 H GLY A 102 -3.441 12.107 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.044 13.014 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.794 11.798 -2.448 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.838 14.226 -1.672 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.854 15.275 -1.413 1.00 0.00 C ATOM 1667 C GLU A 103 -0.787 14.782 -0.437 1.00 0.00 C ATOM 1668 O GLU A 103 -1.025 13.850 0.330 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.540 16.522 -0.853 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.521 16.225 0.269 1.00 0.00 C ATOM 1671 CD GLU A 103 -4.966 16.303 -0.184 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -5.427 17.418 -0.507 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -5.636 15.250 -0.216 1.00 0.00 O ATOM 0 H GLU A 103 -3.331 13.896 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.372 15.532 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.779 17.211 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.067 17.030 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.322 15.230 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.361 16.932 1.083 1.00 0.00 H new ATOM 1680 N TRP A 104 0.388 15.410 -0.466 1.00 0.00 N ATOM 1681 CA TRP A 104 1.476 15.014 0.432 1.00 0.00 C ATOM 1682 C TRP A 104 1.101 15.330 1.878 1.00 0.00 C ATOM 1683 O TRP A 104 1.091 16.491 2.287 1.00 0.00 O ATOM 1684 CB TRP A 104 2.797 15.723 0.064 1.00 0.00 C ATOM 1685 CG TRP A 104 2.800 16.356 -1.297 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.826 15.713 -2.501 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.776 17.758 -1.589 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.819 16.630 -3.525 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.789 17.891 -2.990 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.745 18.912 -0.802 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.772 19.134 -3.620 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.727 20.144 -1.428 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.740 20.247 -2.825 1.00 0.00 C ATOM 0 H TRP A 104 0.611 16.184 -1.091 1.00 0.00 H new ATOM 0 HA TRP A 104 1.628 13.940 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 104 3.003 16.491 0.809 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.611 15.000 0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.849 14.641 -2.630 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.834 16.408 -4.520 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.735 18.843 0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.784 19.216 -4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 2.702 21.043 -0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 104 2.724 21.225 -3.284 1.00 0.00 H new ATOM 1704 N MET A 105 0.790 14.289 2.645 1.00 0.00 N ATOM 1705 CA MET A 105 0.410 14.456 4.048 1.00 0.00 C ATOM 1706 C MET A 105 1.356 13.705 4.978 1.00 0.00 C ATOM 1707 O MET A 105 2.093 12.821 4.547 1.00 0.00 O ATOM 1708 CB MET A 105 -1.035 13.999 4.285 1.00 0.00 C ATOM 1709 CG MET A 105 -1.479 12.845 3.398 1.00 0.00 C ATOM 1710 SD MET A 105 -3.274 12.694 3.312 1.00 0.00 S ATOM 1711 CE MET A 105 -3.672 12.373 5.028 1.00 0.00 C ATOM 0 H MET A 105 0.793 13.322 2.321 1.00 0.00 H new ATOM 0 HA MET A 105 0.483 15.519 4.276 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.144 13.703 5.328 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.703 14.845 4.122 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.081 12.989 2.394 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.057 11.915 3.778 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.294 11.480 5.096 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.752 12.219 5.592 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.213 13.224 5.441 1.00 0.00 H new ATOM 1721 N SER A 106 1.325 14.060 6.258 1.00 0.00 N ATOM 1722 CA SER A 106 2.179 13.416 7.253 1.00 0.00 C ATOM 1723 C SER A 106 1.633 12.043 7.632 1.00 0.00 C ATOM 1724 O SER A 106 0.460 11.904 7.977 1.00 0.00 O ATOM 1725 CB SER A 106 2.295 14.295 8.500 1.00 0.00 C ATOM 1726 OG SER A 106 3.075 13.660 9.499 1.00 0.00 O ATOM 0 H SER A 106 0.718 14.790 6.632 1.00 0.00 H new ATOM 0 HA SER A 106 3.169 13.284 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.746 15.251 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.301 14.510 8.892 1.00 0.00 H new ATOM 0 HG SER A 106 3.136 14.242 10.285 1.00 0.00 H new ATOM 1732 N LEU A 107 2.494 11.031 7.568 1.00 0.00 N ATOM 1733 CA LEU A 107 2.098 9.666 7.904 1.00 0.00 C ATOM 1734 C LEU A 107 2.084 9.446 9.417 1.00 0.00 C ATOM 1735 O LEU A 107 1.473 8.498 9.908 1.00 0.00 O ATOM 1736 CB LEU A 107 3.041 8.658 7.242 1.00 0.00 C ATOM 1737 CG LEU A 107 2.421 7.293 6.928 1.00 0.00 C ATOM 1738 CD1 LEU A 107 2.228 6.488 8.205 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.095 7.458 6.195 1.00 0.00 C ATOM 0 H LEU A 107 3.470 11.130 7.287 1.00 0.00 H new ATOM 0 HA LEU A 107 1.087 9.514 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.416 9.091 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.901 8.507 7.894 1.00 0.00 H new ATOM 0 HG LEU A 107 3.105 6.749 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.787 5.521 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.193 6.335 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.566 7.030 8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.672 6.476 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.403 8.024 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.260 7.992 5.260 1.00 0.00 H new ATOM 1751 N VAL A 108 2.765 10.323 10.150 1.00 0.00 N ATOM 1752 CA VAL A 108 2.836 10.223 11.605 1.00 0.00 C ATOM 1753 C VAL A 108 1.449 10.142 12.244 1.00 0.00 C ATOM 1754 O VAL A 108 1.317 9.753 13.404 1.00 0.00 O ATOM 1755 CB VAL A 108 3.593 11.421 12.210 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.849 11.201 13.695 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.898 11.661 11.464 1.00 0.00 C ATOM 0 H VAL A 108 3.277 11.113 9.758 1.00 0.00 H new ATOM 0 HA VAL A 108 3.376 9.301 11.821 1.00 0.00 H new ATOM 0 HB VAL A 108 2.972 12.310 12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.385 12.058 14.103 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.898 11.086 14.215 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.448 10.301 13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.419 12.511 11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.527 10.773 11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.685 11.871 10.416 1.00 0.00 H new ATOM 1767 N GLY A 109 0.416 10.510 11.488 1.00 0.00 N ATOM 1768 CA GLY A 109 -0.935 10.465 12.011 1.00 0.00 C ATOM 1769 C GLY A 109 -1.922 9.903 11.008 1.00 0.00 C ATOM 1770 O GLY A 109 -2.946 10.520 10.718 1.00 0.00 O ATOM 0 H GLY A 109 0.493 10.837 10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.952 9.856 12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.245 11.470 12.298 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.608 8.727 10.481 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.467 8.066 9.503 1.00 0.00 C ATOM 1776 C LEU A 110 -3.829 7.748 10.114 1.00 0.00 C ATOM 1777 O LEU A 110 -3.941 7.544 11.323 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.806 6.782 9.002 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.539 6.081 7.860 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.588 5.169 7.101 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.729 5.296 8.392 1.00 0.00 C ATOM 0 H LEU A 110 -0.762 8.208 10.715 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.613 8.742 8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.793 7.017 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.717 6.087 9.837 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.912 6.838 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.125 4.677 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.770 5.759 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.186 4.417 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.239 4.803 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.382 4.546 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.420 5.976 8.891 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.866 7.727 9.279 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.217 7.456 9.758 1.00 0.00 C ATOM 1795 C ASN A 111 -6.812 6.201 9.133 1.00 0.00 C ATOM 1796 O ASN A 111 -7.091 6.158 7.935 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.125 8.657 9.482 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.693 9.258 10.754 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.754 10.478 10.906 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -8.116 8.400 11.676 1.00 0.00 N ATOM 0 H ASN A 111 -4.797 7.893 8.275 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.149 7.285 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.561 9.419 8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.944 8.348 8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.510 8.745 12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.047 7.396 11.509 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.028 5.188 9.968 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.620 3.936 9.516 1.00 0.00 C ATOM 1809 C ALA A 112 -9.107 4.127 9.217 1.00 0.00 C ATOM 1810 O ALA A 112 -9.736 3.289 8.573 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.427 2.843 10.557 1.00 0.00 C ATOM 0 H ALA A 112 -6.801 5.212 10.962 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.116 3.631 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.876 1.917 10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.362 2.687 10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.904 3.141 11.490 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.668 5.235 9.698 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.078 5.532 9.485 1.00 0.00 C ATOM 1819 C ASP A 113 -11.312 6.035 8.064 1.00 0.00 C ATOM 1820 O ASP A 113 -12.313 5.697 7.431 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.561 6.574 10.498 1.00 0.00 C ATOM 1822 CG ASP A 113 -12.709 6.065 11.347 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -12.724 4.857 11.664 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -13.595 6.874 11.695 1.00 0.00 O ATOM 0 H ASP A 113 -9.166 5.940 10.237 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.647 4.613 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -10.732 6.859 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.875 7.473 9.968 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.381 6.844 7.566 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.488 7.390 6.218 1.00 0.00 C ATOM 1831 C ASP A 114 -10.023 6.376 5.173 1.00 0.00 C ATOM 1832 O ASP A 114 -10.344 6.505 3.993 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.677 8.680 6.092 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.556 9.899 5.897 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.741 9.845 6.289 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.059 10.909 5.356 1.00 0.00 O ATOM 0 H ASP A 114 -9.546 7.135 8.075 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.539 7.615 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.070 8.813 6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.990 8.593 5.251 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.263 5.373 5.610 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.760 4.351 4.699 1.00 0.00 C ATOM 1843 C PHE A 115 -9.641 3.101 4.740 1.00 0.00 C ATOM 1844 O PHE A 115 -10.390 2.890 5.694 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.280 4.045 5.015 1.00 0.00 C ATOM 1846 CG PHE A 115 -6.996 2.750 5.727 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.803 2.304 6.755 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.888 1.991 5.375 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.521 1.126 7.417 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.599 0.818 6.034 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.415 0.385 7.056 1.00 0.00 C ATOM 0 H PHE A 115 -8.984 5.248 6.583 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.805 4.727 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.724 4.047 4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.886 4.861 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.666 2.885 7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.245 2.325 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.164 0.786 8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.734 0.238 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.189 -0.535 7.575 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.579 2.261 3.692 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.388 1.040 3.607 1.00 0.00 C ATOM 1863 C PRO A 116 -10.137 0.084 4.772 1.00 0.00 C ATOM 1864 O PRO A 116 -8.994 -0.137 5.170 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.949 0.398 2.284 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.651 1.047 1.945 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.730 2.438 2.504 1.00 0.00 C ATOM 0 HA PRO A 116 -11.454 1.265 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.834 -0.681 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.689 0.565 1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.815 0.498 2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.494 1.067 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.745 2.826 2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.170 3.136 1.792 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.211 -0.504 5.334 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.104 -1.445 6.454 1.00 0.00 C ATOM 1877 C PRO A 117 -10.458 -2.764 6.045 1.00 0.00 C ATOM 1878 O PRO A 117 -10.053 -3.556 6.896 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.558 -1.669 6.875 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.354 -1.387 5.649 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.614 -0.303 4.917 1.00 0.00 C ATOM 0 HA PRO A 117 -10.472 -1.055 7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.716 -2.689 7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.841 -1.005 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.450 -2.280 5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.364 -1.066 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.729 -0.396 3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.977 0.687 5.192 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.369 -2.999 4.738 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.777 -4.228 4.223 1.00 0.00 C ATOM 1891 C ALA A 118 -8.310 -4.345 4.620 1.00 0.00 C ATOM 1892 O ALA A 118 -7.737 -5.434 4.594 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.924 -4.291 2.711 1.00 0.00 C ATOM 0 H ALA A 118 -10.699 -2.355 4.019 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.311 -5.069 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.478 -5.214 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.981 -4.268 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.419 -3.437 2.260 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.707 -3.221 4.985 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.309 -3.202 5.387 1.00 0.00 C ATOM 1901 C ASN A 119 -6.161 -2.775 6.849 1.00 0.00 C ATOM 1902 O ASN A 119 -5.050 -2.564 7.334 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.529 -2.254 4.478 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.489 -2.974 3.643 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.331 -2.563 3.584 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -4.899 -4.055 2.990 1.00 0.00 N ATOM 0 H ASN A 119 -8.166 -2.310 5.011 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.907 -4.211 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.224 -1.735 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.039 -1.494 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.244 -4.580 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.869 -4.360 3.068 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.291 -2.646 7.546 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.299 -2.240 8.943 1.00 0.00 C ATOM 1915 C GLU A 120 -6.522 -3.208 9.843 1.00 0.00 C ATOM 1916 O GLU A 120 -5.942 -2.786 10.833 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.747 -2.083 9.427 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.239 -3.191 10.349 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.751 -3.319 10.351 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -11.412 -2.534 11.062 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -11.272 -4.205 9.641 1.00 0.00 O ATOM 0 H GLU A 120 -8.218 -2.820 7.157 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.787 -1.280 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.839 -1.130 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.402 -2.036 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.798 -4.139 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.893 -2.995 11.364 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.501 -4.518 9.540 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.791 -5.496 10.373 1.00 0.00 C ATOM 1930 C PRO A 121 -4.393 -5.044 10.801 1.00 0.00 C ATOM 1931 O PRO A 121 -4.050 -5.104 11.982 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.682 -6.700 9.449 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.918 -6.635 8.624 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.175 -5.171 8.393 1.00 0.00 C ATOM 0 HA PRO A 121 -6.317 -5.675 11.311 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.786 -6.648 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.627 -7.632 10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.787 -7.164 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.757 -7.104 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.763 -4.836 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.242 -4.949 8.374 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.589 -4.603 9.840 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.226 -4.152 10.127 1.00 0.00 C ATOM 1944 C VAL A 122 -2.215 -2.742 10.698 1.00 0.00 C ATOM 1945 O VAL A 122 -1.638 -2.489 11.756 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.324 -4.174 8.867 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -0.028 -4.920 9.145 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -2.038 -4.779 7.666 1.00 0.00 C ATOM 0 H VAL A 122 -3.854 -4.547 8.857 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.830 -4.853 10.862 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.088 -3.138 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.590 -4.923 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.510 -4.426 9.954 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.254 -5.947 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.369 -4.775 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.329 -5.804 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.927 -4.192 7.438 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.851 -1.824 9.979 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.918 -0.430 10.388 1.00 0.00 C ATOM 1960 C ILE A 123 -3.601 -0.288 11.739 1.00 0.00 C ATOM 1961 O ILE A 123 -3.310 0.624 12.493 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.652 0.425 9.333 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.810 0.512 8.055 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.948 1.817 9.872 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.066 1.824 7.903 1.00 0.00 C ATOM 0 H ILE A 123 -3.331 -2.025 9.102 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.894 -0.067 10.477 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.603 -0.053 9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.090 -0.306 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.460 0.371 7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.465 2.400 9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.578 1.738 10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.013 2.312 10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.493 1.812 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.781 2.647 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.389 1.958 8.747 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.492 -1.215 12.043 1.00 0.00 N ATOM 1978 CA ALA A 124 -5.195 -1.198 13.318 1.00 0.00 C ATOM 1979 C ALA A 124 -4.184 -1.168 14.458 1.00 0.00 C ATOM 1980 O ALA A 124 -4.282 -0.357 15.379 1.00 0.00 O ATOM 1981 CB ALA A 124 -6.110 -2.405 13.450 1.00 0.00 C ATOM 0 H ALA A 124 -4.747 -1.988 11.428 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.815 -0.303 13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.624 -2.369 14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.845 -2.394 12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.518 -3.318 13.389 1.00 0.00 H new ATOM 1987 N LYS A 125 -3.236 -2.095 14.396 1.00 0.00 N ATOM 1988 CA LYS A 125 -2.221 -2.222 15.435 1.00 0.00 C ATOM 1989 C LYS A 125 -1.496 -0.902 15.665 1.00 0.00 C ATOM 1990 O LYS A 125 -1.353 -0.457 16.804 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.214 -3.312 15.062 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.796 -4.716 15.093 1.00 0.00 C ATOM 1993 CD LYS A 125 -2.177 -5.129 16.505 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.583 -6.593 16.566 1.00 0.00 C ATOM 1995 NZ LYS A 125 -3.601 -6.843 17.623 1.00 0.00 N ATOM 0 H LYS A 125 -3.149 -2.770 13.637 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.724 -2.499 16.361 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.827 -3.110 14.063 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.368 -3.263 15.748 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.675 -4.761 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.069 -5.421 14.690 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.336 -4.955 17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.000 -4.507 16.858 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.981 -6.900 15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.703 -7.206 16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.851 -7.852 17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.213 -6.574 18.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.451 -6.277 17.427 1.00 0.00 H new ATOM 2009 N LEU A 126 -1.038 -0.280 14.590 1.00 0.00 N ATOM 2010 CA LEU A 126 -0.324 0.994 14.695 1.00 0.00 C ATOM 2011 C LEU A 126 -1.296 2.154 14.905 1.00 0.00 C ATOM 2012 O LEU A 126 -1.108 2.986 15.790 1.00 0.00 O ATOM 2013 CB LEU A 126 0.515 1.236 13.438 1.00 0.00 C ATOM 2014 CG LEU A 126 1.911 1.810 13.692 1.00 0.00 C ATOM 2015 CD1 LEU A 126 2.948 0.697 13.720 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.265 2.844 12.633 1.00 0.00 C ATOM 0 H LEU A 126 -1.144 -0.630 13.638 1.00 0.00 H new ATOM 0 HA LEU A 126 0.336 0.940 15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.619 0.293 12.902 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.028 1.917 12.783 1.00 0.00 H new ATOM 0 HG LEU A 126 1.909 2.302 14.664 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.935 1.123 13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.705 -0.007 14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.949 0.176 12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.261 3.241 12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.249 2.377 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.539 3.656 12.661 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.318 2.205 14.061 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.328 3.260 14.110 1.00 0.00 C ATOM 2030 C LYS A 127 -3.889 3.417 15.511 1.00 0.00 C ATOM 2031 O LYS A 127 -4.103 4.531 15.987 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.466 2.933 13.154 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.679 3.839 13.305 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.926 3.048 13.671 1.00 0.00 C ATOM 2035 CE LYS A 127 -8.159 3.937 13.714 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.632 4.164 15.107 1.00 0.00 N ATOM 0 H LYS A 127 -2.472 1.518 13.323 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.850 4.195 13.817 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -4.098 3.002 12.130 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.775 1.900 13.312 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.482 4.586 14.074 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.850 4.378 12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.077 2.249 12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.785 2.573 14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.932 4.895 13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.957 3.479 13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.474 4.775 15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.873 3.252 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.880 4.624 15.658 1.00 0.00 H new ATOM 2050 N ARG A 128 -4.103 2.292 16.173 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.615 2.306 17.530 1.00 0.00 C ATOM 2052 C ARG A 128 -3.600 2.971 18.457 1.00 0.00 C ATOM 2053 O ARG A 128 -3.889 3.241 19.623 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.916 0.880 17.992 1.00 0.00 C ATOM 2055 CG ARG A 128 -5.217 0.763 19.478 1.00 0.00 C ATOM 2056 CD ARG A 128 -5.589 -0.660 19.862 1.00 0.00 C ATOM 2057 NE ARG A 128 -6.822 -1.097 19.210 1.00 0.00 N ATOM 2058 CZ ARG A 128 -7.559 -2.123 19.628 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -7.193 -2.822 20.695 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -8.668 -2.451 18.977 1.00 0.00 N ATOM 0 H ARG A 128 -3.930 1.361 15.793 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.542 2.878 17.560 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.767 0.498 17.428 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.064 0.244 17.753 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.347 1.080 20.052 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.033 1.436 19.739 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.776 -1.333 19.590 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -5.708 -0.725 20.944 1.00 0.00 H new ATOM 0 HE ARG A 128 -7.136 -0.585 18.386 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.342 -2.574 21.200 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.762 -3.607 21.010 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -8.955 -1.917 18.157 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -9.233 -3.237 19.297 1.00 0.00 H new ATOM 2074 N LEU A 129 -2.407 3.242 17.918 1.00 0.00 N ATOM 2075 CA LEU A 129 -1.338 3.886 18.677 1.00 0.00 C ATOM 2076 C LEU A 129 -1.211 3.290 20.078 1.00 0.00 C ATOM 2077 O LEU A 129 -0.120 2.913 20.506 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.592 5.391 18.769 1.00 0.00 C ATOM 2079 CG LEU A 129 -2.076 6.049 17.470 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.475 6.619 17.648 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -1.109 7.138 17.023 1.00 0.00 C ATOM 0 H LEU A 129 -2.160 3.023 16.953 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.400 3.710 18.150 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.333 5.572 19.548 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.671 5.881 19.085 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.111 5.284 16.694 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.801 7.081 16.716 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.163 5.817 17.915 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.465 7.368 18.440 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.472 7.591 16.100 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.037 7.901 17.798 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.125 6.702 16.851 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -2.940 -3.212 -9.585 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -10.304 -4.407 -5.114 1.00 20.00 O HETATM 2096 P 8OG A 131 -9.870 -5.611 -4.137 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -8.961 -6.514 -4.877 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -11.093 -6.169 -3.518 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -9.024 -4.840 -3.004 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -8.255 -5.584 -2.055 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -9.151 -6.499 -1.217 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -9.935 -7.504 -1.870 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -8.351 -7.313 -0.200 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -8.694 -6.961 1.144 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -8.632 -8.792 -0.485 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -9.604 -8.884 -1.665 1.00 20.00 C HETATM 2107 N9 8OG A 131 -9.265 -9.861 -2.723 1.00 20.00 N HETATM 2108 C8 8OG A 131 -8.047 -9.840 -3.349 1.00 20.00 C HETATM 2109 N7 8OG A 131 -8.105 -10.873 -4.247 1.00 20.00 N HETATM 2110 C5 8OG A 131 -9.313 -11.517 -4.188 1.00 20.00 C HETATM 2111 C6 8OG A 131 -9.873 -12.563 -4.834 1.00 20.00 C HETATM 2112 O6 8OG A 131 -9.188 -13.162 -5.735 1.00 20.00 O HETATM 2113 N1 8OG A 131 -11.159 -13.019 -4.566 1.00 20.00 N HETATM 2114 C2 8OG A 131 -11.874 -12.365 -3.600 1.00 20.00 C HETATM 2115 N2 8OG A 131 -13.113 -12.806 -3.344 1.00 20.00 N HETATM 2116 N3 8OG A 131 -11.386 -11.272 -2.873 1.00 20.00 N HETATM 2117 C4 8OG A 131 -10.066 -10.883 -3.220 1.00 20.00 C HETATM 2118 O8 8OG A 131 -7.071 -9.036 -3.140 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -8.166 -7.501 1.768 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -7.507 -6.181 -2.576 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -7.705 -9.316 -0.717 1.00 20.00 H new HETATM 0 H7 8OG A 131 -7.346 -11.130 -4.879 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -7.717 -4.898 -1.401 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -9.821 -5.740 -0.813 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -7.286 -7.103 -0.299 1.00 20.00 H new HETATM 0 H22 8OG A 131 -13.681 -12.347 -2.631 1.00 20.00 H new HETATM 0 H21 8OG A 131 -13.489 -13.601 -3.862 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -9.058 -9.273 0.395 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -10.543 -9.421 -1.535 1.00 20.00 H new HETATM 0 H1 8OG A 131 -11.555 -13.812 -5.071 1.00 20.00 H new HETATM 2131 O HOH A5083 -4.670 -2.187 -8.947 1.00 0.00 O HETATM 2132 O HOH A5084 -4.138 -4.434 -10.821 1.00 0.00 O