USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -1.49 K(o=-3.9,f=-17!) USER MOD Set 1.2: A 62 GLN : amide:sc= -2.39 K(o=-3.9,f=-12!) USER MOD Set 2.1: A 20 ASN : amide:sc= -3.99 K(o=-5.1,f=-2.7) USER MOD Set 2.2: A 79 ASN : amide:sc= -1.09 K(o=-5.1,f=-3) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.287 K(o=-4.1,f=-1.8) USER MOD Set 3.2: A 13 ASN : amide:sc= -3.86! K(o=-4.1!,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0741 (180deg=-0.22) USER MOD Single : A 5 GLN : amide:sc= -0.415 K(o=-0.42,f=-3.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.35 USER MOD Single : A 14 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.26) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 130:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.63! C(o=-3.6!,f=-16!) USER MOD Single : A 29 MET CE :methyl 156:sc= 0 (180deg=-0.04) USER MOD Single : A 31 SER OG : rot 36:sc= 0.412 USER MOD Single : A 32 MET CE :methyl -163:sc= -0.868 (180deg=-1.77!) USER MOD Single : A 35 ASN : amide:sc= -0.0481 K(o=-0.048,f=-2.4!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-4.8!) USER MOD Single : A 71 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.96) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 164:sc= -13.2! USER MOD Single : A 77 GLN : amide:sc= -0.569 K(o=-0.57,f=-0.024) USER MOD Single : A 78 ASN : amide:sc= -0.0263 X(o=-0.026,f=0.34) USER MOD Single : A 81 MET CE :methyl 173:sc= -1.67 (180deg=-1.86) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.180 2.381 -2.487 1.00 0.00 N ATOM 2 CA MET A 1 -17.414 1.568 -2.349 1.00 0.00 C ATOM 3 C MET A 1 -17.803 1.053 -3.748 1.00 0.00 C ATOM 4 O MET A 1 -17.382 1.527 -4.775 1.00 0.00 O ATOM 5 CB MET A 1 -18.555 2.405 -1.806 1.00 0.00 C ATOM 6 CG MET A 1 -18.762 3.685 -2.623 1.00 0.00 C ATOM 7 SD MET A 1 -20.519 4.079 -2.644 1.00 0.00 S ATOM 8 CE MET A 1 -20.604 4.588 -4.375 1.00 0.00 C ATOM 0 H1 MET A 1 -16.259 3.235 -1.898 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.359 1.822 -2.178 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.056 2.657 -3.482 1.00 0.00 H new ATOM 0 HA MET A 1 -17.227 0.745 -1.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.473 1.817 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.352 2.666 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.196 4.508 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.393 3.548 -3.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.625 4.882 -4.618 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.934 5.432 -4.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.304 3.757 -5.014 1.00 0.00 H new ATOM 20 N ALA A 2 -18.630 0.052 -3.753 1.00 0.00 N ATOM 21 CA ALA A 2 -19.052 -0.500 -5.073 1.00 0.00 C ATOM 22 C ALA A 2 -20.508 -0.947 -4.959 1.00 0.00 C ATOM 23 O ALA A 2 -21.047 -0.940 -3.861 1.00 0.00 O ATOM 24 CB ALA A 2 -18.149 -1.687 -5.423 1.00 0.00 C ATOM 0 H ALA A 2 -19.025 -0.401 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.965 0.250 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.448 -2.100 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.113 -1.353 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.243 -2.455 -4.655 1.00 0.00 H new ATOM 30 N PRO A 3 -21.122 -1.322 -6.048 1.00 0.00 N ATOM 31 CA PRO A 3 -22.519 -1.763 -6.014 1.00 0.00 C ATOM 32 C PRO A 3 -22.626 -3.295 -5.930 1.00 0.00 C ATOM 33 O PRO A 3 -23.649 -3.906 -6.140 1.00 0.00 O ATOM 34 CB PRO A 3 -22.955 -1.263 -7.409 1.00 0.00 C ATOM 35 CG PRO A 3 -21.718 -1.355 -8.321 1.00 0.00 C ATOM 36 CD PRO A 3 -20.484 -1.335 -7.378 1.00 0.00 C ATOM 0 HA PRO A 3 -23.103 -1.402 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -23.770 -1.872 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -23.320 -0.237 -7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -21.739 -2.268 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.687 -0.520 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.848 -2.209 -7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.859 -0.457 -7.541 1.00 0.00 H new ATOM 44 N ALA A 4 -21.546 -3.968 -5.615 1.00 0.00 N ATOM 45 CA ALA A 4 -21.612 -5.450 -5.526 1.00 0.00 C ATOM 46 C ALA A 4 -20.304 -5.958 -4.907 1.00 0.00 C ATOM 47 O ALA A 4 -19.771 -6.963 -5.337 1.00 0.00 O ATOM 48 CB ALA A 4 -21.750 -6.081 -6.919 1.00 0.00 C ATOM 0 H ALA A 4 -20.634 -3.556 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 4 -22.477 -5.723 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.796 -7.166 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.662 -5.719 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.890 -5.806 -7.530 1.00 0.00 H new ATOM 54 N GLN A 5 -19.828 -5.251 -3.920 1.00 0.00 N ATOM 55 CA GLN A 5 -18.579 -5.578 -3.197 1.00 0.00 C ATOM 56 C GLN A 5 -18.845 -5.354 -1.705 1.00 0.00 C ATOM 57 O GLN A 5 -18.772 -4.211 -1.294 1.00 0.00 O ATOM 58 CB GLN A 5 -17.424 -4.706 -3.695 1.00 0.00 C ATOM 59 CG GLN A 5 -16.154 -5.189 -2.982 1.00 0.00 C ATOM 60 CD GLN A 5 -15.521 -6.283 -3.868 1.00 0.00 C ATOM 61 OE1 GLN A 5 -16.151 -7.308 -4.077 1.00 0.00 O ATOM 62 NE2 GLN A 5 -14.336 -6.105 -4.379 1.00 0.00 N ATOM 0 H GLN A 5 -20.288 -4.411 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.288 -6.614 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.315 -4.792 -4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.613 -3.655 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.458 -4.363 -2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.394 -5.584 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.825 -5.242 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.919 -6.829 -4.965 1.00 0.00 H new ATOM 71 N PRO A 6 -19.133 -6.404 -0.962 1.00 0.00 N ATOM 72 CA PRO A 6 -19.400 -6.268 0.480 1.00 0.00 C ATOM 73 C PRO A 6 -18.132 -6.476 1.319 1.00 0.00 C ATOM 74 O PRO A 6 -17.446 -5.510 1.572 1.00 0.00 O ATOM 75 CB PRO A 6 -20.457 -7.341 0.712 1.00 0.00 C ATOM 76 CG PRO A 6 -20.306 -8.332 -0.459 1.00 0.00 C ATOM 77 CD PRO A 6 -19.227 -7.792 -1.428 1.00 0.00 C ATOM 0 HA PRO A 6 -19.735 -5.275 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -20.306 -7.840 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -21.457 -6.908 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -20.022 -9.316 -0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.256 -8.450 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.281 -8.326 -1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.533 -7.861 -2.472 1.00 0.00 H new ATOM 85 N LEU A 7 -17.820 -7.659 1.740 1.00 0.00 N ATOM 86 CA LEU A 7 -16.593 -7.879 2.560 1.00 0.00 C ATOM 87 C LEU A 7 -16.773 -7.124 3.897 1.00 0.00 C ATOM 88 O LEU A 7 -17.286 -7.714 4.837 1.00 0.00 O ATOM 89 CB LEU A 7 -15.327 -7.446 1.826 1.00 0.00 C ATOM 90 CG LEU A 7 -14.423 -8.674 1.615 1.00 0.00 C ATOM 91 CD1 LEU A 7 -13.973 -8.701 0.144 1.00 0.00 C ATOM 92 CD2 LEU A 7 -13.218 -8.608 2.532 1.00 0.00 C ATOM 0 H LEU A 7 -18.366 -8.500 1.552 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.466 -8.944 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.583 -6.998 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.800 -6.685 2.402 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.975 -9.583 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.331 -9.566 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.848 -8.767 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.421 -7.789 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.589 -9.484 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.646 -7.706 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.551 -8.587 3.570 1.00 0.00 H new ATOM 104 N SER A 8 -16.368 -5.889 3.956 1.00 0.00 N ATOM 105 CA SER A 8 -16.491 -5.049 5.200 1.00 0.00 C ATOM 106 C SER A 8 -17.262 -3.783 4.871 1.00 0.00 C ATOM 107 O SER A 8 -18.278 -3.887 4.190 1.00 0.00 O ATOM 108 CB SER A 8 -15.064 -4.777 5.668 1.00 0.00 C ATOM 109 OG SER A 8 -15.152 -3.949 6.818 1.00 0.00 O ATOM 0 H SER A 8 -15.940 -5.401 3.169 1.00 0.00 H new ATOM 0 HA SER A 8 -17.044 -5.542 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.552 -5.710 5.903 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.488 -4.286 4.883 1.00 0.00 H new ATOM 0 HG SER A 8 -14.251 -3.753 7.150 1.00 0.00 H new ATOM 115 N GLU A 9 -16.876 -2.616 5.290 1.00 0.00 N ATOM 116 CA GLU A 9 -17.620 -1.375 4.973 1.00 0.00 C ATOM 117 C GLU A 9 -16.696 -0.299 4.390 1.00 0.00 C ATOM 118 O GLU A 9 -16.959 0.866 4.624 1.00 0.00 O ATOM 119 CB GLU A 9 -18.149 -0.816 6.307 1.00 0.00 C ATOM 120 CG GLU A 9 -17.021 -0.631 7.315 1.00 0.00 C ATOM 121 CD GLU A 9 -17.237 0.704 8.013 1.00 0.00 C ATOM 122 OE1 GLU A 9 -17.272 1.739 7.375 1.00 0.00 O ATOM 123 OE2 GLU A 9 -17.367 0.683 9.226 1.00 0.00 O ATOM 0 H GLU A 9 -16.044 -2.468 5.861 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.404 -1.609 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.644 0.139 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.898 -1.494 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.019 -1.445 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.053 -0.648 6.813 1.00 0.00 H new ATOM 130 N ASN A 10 -15.669 -0.673 3.669 1.00 0.00 N ATOM 131 CA ASN A 10 -14.768 0.384 3.102 1.00 0.00 C ATOM 132 C ASN A 10 -13.739 -0.288 2.202 1.00 0.00 C ATOM 133 O ASN A 10 -13.775 -0.011 1.009 1.00 0.00 O ATOM 134 CB ASN A 10 -14.121 1.193 4.226 1.00 0.00 C ATOM 135 CG ASN A 10 -14.335 2.665 3.907 1.00 0.00 C ATOM 136 OD1 ASN A 10 -15.425 3.178 4.109 1.00 0.00 O ATOM 137 ND2 ASN A 10 -13.395 3.426 3.423 1.00 0.00 N ATOM 0 H ASN A 10 -15.417 -1.637 3.451 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.340 1.092 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.567 0.940 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.057 0.967 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.585 4.409 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.469 3.039 3.239 1.00 0.00 H new ATOM 144 N PRO A 11 -12.900 -1.106 2.769 1.00 0.00 N ATOM 145 CA PRO A 11 -11.857 -1.822 2.008 1.00 0.00 C ATOM 146 C PRO A 11 -12.586 -2.541 0.850 1.00 0.00 C ATOM 147 O PRO A 11 -13.743 -2.893 1.051 1.00 0.00 O ATOM 148 CB PRO A 11 -11.305 -2.849 2.978 1.00 0.00 C ATOM 149 CG PRO A 11 -12.064 -2.792 4.335 1.00 0.00 C ATOM 150 CD PRO A 11 -12.827 -1.463 4.199 1.00 0.00 C ATOM 0 HA PRO A 11 -11.066 -1.184 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.394 -3.847 2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.243 -2.667 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.736 -3.640 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.384 -2.790 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.829 -1.558 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.321 -0.677 4.760 1.00 0.00 H new ATOM 158 N PRO A 12 -11.937 -2.727 -0.257 1.00 0.00 N ATOM 159 CA PRO A 12 -10.562 -2.312 -0.506 1.00 0.00 C ATOM 160 C PRO A 12 -10.521 -0.821 -0.901 1.00 0.00 C ATOM 161 O PRO A 12 -11.289 -0.395 -1.749 1.00 0.00 O ATOM 162 CB PRO A 12 -10.086 -3.132 -1.710 1.00 0.00 C ATOM 163 CG PRO A 12 -11.285 -4.075 -2.045 1.00 0.00 C ATOM 164 CD PRO A 12 -12.525 -3.397 -1.429 1.00 0.00 C ATOM 0 HA PRO A 12 -9.945 -2.461 0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.840 -2.489 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.188 -3.702 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.399 -4.198 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.132 -5.069 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.990 -2.690 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.291 -4.120 -1.148 1.00 0.00 H new ATOM 172 N ASN A 13 -9.646 -0.084 -0.292 1.00 0.00 N ATOM 173 CA ASN A 13 -9.559 1.373 -0.639 1.00 0.00 C ATOM 174 C ASN A 13 -8.367 1.662 -1.548 1.00 0.00 C ATOM 175 O ASN A 13 -7.314 1.047 -1.474 1.00 0.00 O ATOM 176 CB ASN A 13 -9.393 2.148 0.681 1.00 0.00 C ATOM 177 CG ASN A 13 -10.658 1.975 1.541 1.00 0.00 C ATOM 178 OD1 ASN A 13 -11.741 2.424 1.197 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.560 1.328 2.659 1.00 0.00 N ATOM 0 H ASN A 13 -8.993 -0.409 0.421 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.460 1.675 -1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.520 1.783 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.222 3.205 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.384 1.196 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.659 0.950 2.952 1.00 0.00 H new ATOM 186 N HIS A 14 -8.464 2.615 -2.448 1.00 0.00 N ATOM 187 CA HIS A 14 -7.373 2.990 -3.377 1.00 0.00 C ATOM 188 C HIS A 14 -6.228 3.796 -2.678 1.00 0.00 C ATOM 189 O HIS A 14 -5.375 4.398 -3.267 1.00 0.00 O ATOM 190 CB HIS A 14 -7.864 3.931 -4.506 1.00 0.00 C ATOM 191 CG HIS A 14 -8.920 4.862 -4.010 1.00 0.00 C ATOM 192 ND1 HIS A 14 -10.034 5.297 -4.689 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.016 5.489 -2.776 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.729 6.132 -3.887 1.00 0.00 C ATOM 195 NE2 HIS A 14 -10.149 6.296 -2.685 1.00 0.00 N ATOM 0 H HIS A 14 -9.309 3.172 -2.573 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.018 2.032 -3.758 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.023 4.505 -4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.257 3.338 -5.332 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.297 5.366 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.650 6.615 -4.179 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.461 6.869 -1.901 1.00 0.00 H new ATOM 204 N ILE A 15 -6.193 3.816 -1.357 1.00 0.00 N ATOM 205 CA ILE A 15 -5.187 4.541 -0.530 1.00 0.00 C ATOM 206 C ILE A 15 -4.765 3.508 0.544 1.00 0.00 C ATOM 207 O ILE A 15 -5.580 3.165 1.347 1.00 0.00 O ATOM 208 CB ILE A 15 -5.679 5.829 0.133 1.00 0.00 C ATOM 209 CG1 ILE A 15 -5.379 6.997 -0.830 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.914 6.021 1.438 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.442 8.346 -0.132 1.00 0.00 C ATOM 0 H ILE A 15 -6.879 3.317 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.377 4.890 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.747 5.786 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.389 6.861 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.095 6.981 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.251 6.935 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.096 5.171 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.847 6.095 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.224 9.137 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.439 8.496 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.708 8.374 0.673 1.00 0.00 H new ATOM 223 N LEU A 16 -3.531 3.091 0.471 1.00 0.00 N ATOM 224 CA LEU A 16 -2.981 2.080 1.437 1.00 0.00 C ATOM 225 C LEU A 16 -1.797 2.719 2.218 1.00 0.00 C ATOM 226 O LEU A 16 -0.746 3.036 1.702 1.00 0.00 O ATOM 227 CB LEU A 16 -2.494 0.851 0.688 1.00 0.00 C ATOM 228 CG LEU A 16 -3.376 0.474 -0.512 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.516 0.275 -1.769 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.158 -0.803 -0.162 1.00 0.00 C ATOM 0 H LEU A 16 -2.862 3.411 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.765 1.779 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.476 1.027 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.453 0.008 1.378 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.080 1.278 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.157 0.008 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.985 1.199 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.796 -0.524 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.790 -1.085 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.458 -1.611 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.781 -0.620 0.714 1.00 0.00 H new ATOM 242 N PHE A 17 -2.109 2.913 3.505 1.00 0.00 N ATOM 243 CA PHE A 17 -1.286 3.581 4.499 1.00 0.00 C ATOM 244 C PHE A 17 -1.108 2.568 5.649 1.00 0.00 C ATOM 245 O PHE A 17 -2.062 1.966 6.020 1.00 0.00 O ATOM 246 CB PHE A 17 -1.796 4.917 4.999 1.00 0.00 C ATOM 247 CG PHE A 17 -1.370 4.962 6.468 1.00 0.00 C ATOM 248 CD1 PHE A 17 -0.019 5.206 6.830 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.281 4.769 7.518 1.00 0.00 C ATOM 250 CE1 PHE A 17 0.365 5.247 8.182 1.00 0.00 C ATOM 251 CE2 PHE A 17 -1.908 4.808 8.869 1.00 0.00 C ATOM 252 CZ PHE A 17 -0.563 5.051 9.205 1.00 0.00 C ATOM 0 H PHE A 17 -2.994 2.587 3.894 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.343 3.862 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.364 5.744 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.879 4.992 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.721 5.362 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.316 4.582 7.274 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.399 5.434 8.433 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.645 4.653 9.643 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.254 5.085 10.239 1.00 0.00 H new ATOM 262 N LEU A 18 0.108 2.424 6.013 1.00 0.00 N ATOM 263 CA LEU A 18 0.420 1.512 7.080 1.00 0.00 C ATOM 264 C LEU A 18 1.919 1.575 7.218 1.00 0.00 C ATOM 265 O LEU A 18 2.568 2.381 6.590 1.00 0.00 O ATOM 266 CB LEU A 18 -0.265 0.189 7.212 1.00 0.00 C ATOM 267 CG LEU A 18 -0.280 -0.166 8.721 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.705 -0.028 9.299 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.155 -1.583 8.993 1.00 0.00 C ATOM 0 H LEU A 18 0.905 2.912 5.604 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.093 1.846 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.280 0.239 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.261 -0.576 6.641 1.00 0.00 H new ATOM 0 HG LEU A 18 0.418 0.529 9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.694 -0.282 10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.050 0.998 9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.379 -0.703 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.124 -1.773 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.516 -2.274 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.172 -1.728 8.628 1.00 0.00 H new ATOM 281 N THR A 19 2.377 0.835 8.096 1.00 0.00 N ATOM 282 CA THR A 19 3.754 0.830 8.466 1.00 0.00 C ATOM 283 C THR A 19 4.220 -0.602 8.528 1.00 0.00 C ATOM 284 O THR A 19 3.557 -1.586 8.227 1.00 0.00 O ATOM 285 CB THR A 19 3.850 1.359 9.926 1.00 0.00 C ATOM 286 OG1 THR A 19 3.277 0.335 10.755 1.00 0.00 O ATOM 287 CG2 THR A 19 3.025 2.609 10.140 1.00 0.00 C ATOM 0 H THR A 19 1.807 0.173 8.622 1.00 0.00 H new ATOM 0 HA THR A 19 4.336 1.424 7.761 1.00 0.00 H new ATOM 0 HB THR A 19 4.890 1.593 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.313 0.616 11.693 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.125 2.939 11.174 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.377 3.396 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.978 2.394 9.928 1.00 0.00 H new ATOM 295 N ASN A 20 5.394 -0.692 8.843 1.00 0.00 N ATOM 296 CA ASN A 20 6.174 -1.973 9.014 1.00 0.00 C ATOM 297 C ASN A 20 7.287 -2.055 7.954 1.00 0.00 C ATOM 298 O ASN A 20 7.582 -3.080 7.392 1.00 0.00 O ATOM 299 CB ASN A 20 5.325 -3.212 9.110 1.00 0.00 C ATOM 300 CG ASN A 20 6.072 -4.213 10.026 1.00 0.00 C ATOM 301 OD1 ASN A 20 5.423 -4.977 10.698 1.00 0.00 O ATOM 302 ND2 ASN A 20 7.360 -4.255 10.093 1.00 0.00 N ATOM 0 H ASN A 20 5.964 0.134 9.023 1.00 0.00 H new ATOM 0 HA ASN A 20 6.649 -1.936 9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.344 -2.974 9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.162 -3.643 8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.817 -4.928 10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.921 -3.615 9.531 1.00 0.00 H new ATOM 309 N LEU A 21 7.895 -0.908 7.734 1.00 0.00 N ATOM 310 CA LEU A 21 9.013 -0.809 6.734 1.00 0.00 C ATOM 311 C LEU A 21 10.304 -0.308 7.367 1.00 0.00 C ATOM 312 O LEU A 21 10.331 0.764 7.962 1.00 0.00 O ATOM 313 CB LEU A 21 8.552 0.164 5.627 1.00 0.00 C ATOM 314 CG LEU A 21 7.035 0.267 5.591 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.620 1.433 6.498 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.604 0.567 4.142 1.00 0.00 C ATOM 0 H LEU A 21 7.664 -0.034 8.206 1.00 0.00 H new ATOM 0 HA LEU A 21 9.228 -1.798 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.983 1.150 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.920 -0.179 4.660 1.00 0.00 H new ATOM 0 HG LEU A 21 6.569 -0.658 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.534 1.531 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.961 1.242 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.069 2.356 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.518 0.645 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.050 1.507 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.939 -0.238 3.489 1.00 0.00 H new ATOM 328 N PRO A 22 11.380 -1.027 7.276 1.00 0.00 N ATOM 329 CA PRO A 22 12.704 -0.741 7.807 1.00 0.00 C ATOM 330 C PRO A 22 13.284 0.596 7.362 1.00 0.00 C ATOM 331 O PRO A 22 12.671 1.458 6.793 1.00 0.00 O ATOM 332 CB PRO A 22 13.601 -1.871 7.250 1.00 0.00 C ATOM 333 CG PRO A 22 12.771 -2.882 6.419 1.00 0.00 C ATOM 334 CD PRO A 22 11.353 -2.336 6.561 1.00 0.00 C ATOM 0 HA PRO A 22 12.650 -0.688 8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.387 -1.443 6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 22 14.093 -2.389 8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.092 -2.913 5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.857 -3.896 6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.902 -2.213 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.734 -3.046 7.109 1.00 0.00 H new ATOM 342 N GLU A 23 14.546 0.785 7.640 1.00 0.00 N ATOM 343 CA GLU A 23 15.190 2.060 7.252 1.00 0.00 C ATOM 344 C GLU A 23 15.807 1.979 5.858 1.00 0.00 C ATOM 345 O GLU A 23 15.982 2.986 5.197 1.00 0.00 O ATOM 346 CB GLU A 23 16.263 2.358 8.321 1.00 0.00 C ATOM 347 CG GLU A 23 16.800 3.763 8.113 1.00 0.00 C ATOM 348 CD GLU A 23 18.008 3.954 9.038 1.00 0.00 C ATOM 349 OE1 GLU A 23 18.342 3.011 9.746 1.00 0.00 O ATOM 350 OE2 GLU A 23 18.591 5.035 9.040 1.00 0.00 O ATOM 0 H GLU A 23 15.150 0.114 8.115 1.00 0.00 H new ATOM 0 HA GLU A 23 14.452 2.861 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.835 2.264 9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 23 17.073 1.632 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.091 3.909 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.030 4.502 8.336 1.00 0.00 H new ATOM 357 N GLU A 24 16.128 0.781 5.431 1.00 0.00 N ATOM 358 CA GLU A 24 16.732 0.722 4.058 1.00 0.00 C ATOM 359 C GLU A 24 15.602 0.909 3.059 1.00 0.00 C ATOM 360 O GLU A 24 15.820 1.068 1.875 1.00 0.00 O ATOM 361 CB GLU A 24 17.468 -0.606 3.889 1.00 0.00 C ATOM 362 CG GLU A 24 18.950 -0.481 4.233 1.00 0.00 C ATOM 363 CD GLU A 24 19.441 -1.843 4.774 1.00 0.00 C ATOM 364 OE1 GLU A 24 18.863 -2.813 4.295 1.00 0.00 O ATOM 365 OE2 GLU A 24 20.328 -1.853 5.599 1.00 0.00 O ATOM 0 H GLU A 24 16.011 -0.101 5.929 1.00 0.00 H new ATOM 0 HA GLU A 24 17.470 1.508 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.009 -1.360 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.361 -0.952 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.522 -0.195 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.102 0.300 4.978 1.00 0.00 H new ATOM 372 N THR A 25 14.398 0.886 3.562 1.00 0.00 N ATOM 373 CA THR A 25 13.237 1.065 2.652 1.00 0.00 C ATOM 374 C THR A 25 13.216 2.511 2.188 1.00 0.00 C ATOM 375 O THR A 25 13.781 3.357 2.841 1.00 0.00 O ATOM 376 CB THR A 25 11.962 0.806 3.474 1.00 0.00 C ATOM 377 OG1 THR A 25 10.935 0.248 2.674 1.00 0.00 O ATOM 378 CG2 THR A 25 11.490 2.102 4.170 1.00 0.00 C ATOM 0 H THR A 25 14.172 0.753 4.548 1.00 0.00 H new ATOM 0 HA THR A 25 13.299 0.391 1.798 1.00 0.00 H new ATOM 0 HB THR A 25 12.203 0.076 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.572 -0.548 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.587 1.898 4.746 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.273 2.462 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.276 2.862 3.418 1.00 0.00 H new ATOM 386 N ASN A 26 12.594 2.848 1.089 1.00 0.00 N ATOM 387 CA ASN A 26 12.599 4.289 0.672 1.00 0.00 C ATOM 388 C ASN A 26 11.417 4.647 -0.229 1.00 0.00 C ATOM 389 O ASN A 26 10.612 3.853 -0.674 1.00 0.00 O ATOM 390 CB ASN A 26 13.963 4.653 0.055 1.00 0.00 C ATOM 391 CG ASN A 26 14.134 4.097 -1.347 1.00 0.00 C ATOM 392 OD1 ASN A 26 13.581 4.666 -2.265 1.00 0.00 O ATOM 393 ND2 ASN A 26 14.839 3.047 -1.628 1.00 0.00 N ATOM 0 H ASN A 26 12.093 2.209 0.472 1.00 0.00 H new ATOM 0 HA ASN A 26 12.463 4.902 1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.068 5.738 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.760 4.272 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.914 2.726 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.319 2.541 -0.884 1.00 0.00 H new ATOM 400 N GLU A 27 11.262 5.922 -0.544 1.00 0.00 N ATOM 401 CA GLU A 27 10.155 6.384 -1.404 1.00 0.00 C ATOM 402 C GLU A 27 10.437 6.015 -2.882 1.00 0.00 C ATOM 403 O GLU A 27 9.480 5.855 -3.581 1.00 0.00 O ATOM 404 CB GLU A 27 10.010 7.919 -1.408 1.00 0.00 C ATOM 405 CG GLU A 27 11.368 8.580 -1.576 1.00 0.00 C ATOM 406 CD GLU A 27 11.322 9.439 -2.852 1.00 0.00 C ATOM 407 OE1 GLU A 27 10.358 10.171 -2.968 1.00 0.00 O ATOM 408 OE2 GLU A 27 12.242 9.337 -3.661 1.00 0.00 O ATOM 0 H GLU A 27 11.882 6.665 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 27 9.259 5.909 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.347 8.226 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.551 8.249 -0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.602 9.198 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.152 7.827 -1.651 1.00 0.00 H new ATOM 415 N LEU A 28 11.665 5.901 -3.306 1.00 0.00 N ATOM 416 CA LEU A 28 11.964 5.518 -4.740 1.00 0.00 C ATOM 417 C LEU A 28 11.744 3.987 -4.851 1.00 0.00 C ATOM 418 O LEU A 28 11.543 3.413 -5.894 1.00 0.00 O ATOM 419 CB LEU A 28 13.394 5.915 -5.059 1.00 0.00 C ATOM 420 CG LEU A 28 14.057 4.972 -6.071 1.00 0.00 C ATOM 421 CD1 LEU A 28 13.502 5.284 -7.467 1.00 0.00 C ATOM 422 CD2 LEU A 28 15.553 5.282 -6.122 1.00 0.00 C ATOM 0 H LEU A 28 12.489 6.055 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 28 11.317 6.026 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.406 6.931 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.979 5.923 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 28 13.870 3.937 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.964 4.621 -8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.422 5.133 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.725 6.320 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.038 4.619 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.700 6.317 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.990 5.131 -5.135 1.00 0.00 H new ATOM 434 N MET A 29 11.789 3.356 -3.693 1.00 0.00 N ATOM 435 CA MET A 29 11.584 1.872 -3.598 1.00 0.00 C ATOM 436 C MET A 29 10.080 1.650 -3.757 1.00 0.00 C ATOM 437 O MET A 29 9.539 0.932 -4.573 1.00 0.00 O ATOM 438 CB MET A 29 11.971 1.460 -2.176 1.00 0.00 C ATOM 439 CG MET A 29 12.288 -0.015 -2.068 1.00 0.00 C ATOM 440 SD MET A 29 14.107 -0.175 -2.122 1.00 0.00 S ATOM 441 CE MET A 29 14.263 -1.415 -0.831 1.00 0.00 C ATOM 0 H MET A 29 11.962 3.816 -2.799 1.00 0.00 H new ATOM 0 HA MET A 29 12.160 1.315 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 29 12.837 2.039 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.155 1.704 -1.495 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.892 -0.428 -1.140 1.00 0.00 H new ATOM 0 HG3 MET A 29 11.828 -0.569 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 29 15.191 -1.969 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.274 -0.926 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.419 -2.102 -0.883 1.00 0.00 H new ATOM 451 N LEU A 30 9.365 2.351 -2.904 1.00 0.00 N ATOM 452 CA LEU A 30 7.894 2.320 -2.871 1.00 0.00 C ATOM 453 C LEU A 30 7.385 2.891 -4.198 1.00 0.00 C ATOM 454 O LEU A 30 6.378 2.567 -4.751 1.00 0.00 O ATOM 455 CB LEU A 30 7.409 3.293 -1.767 1.00 0.00 C ATOM 456 CG LEU A 30 7.156 2.586 -0.445 1.00 0.00 C ATOM 457 CD1 LEU A 30 5.736 2.012 -0.368 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.149 1.431 -0.242 1.00 0.00 C ATOM 0 H LEU A 30 9.778 2.967 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 30 7.542 1.304 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.155 4.075 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.493 3.784 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 30 7.285 3.336 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.596 1.515 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.011 2.820 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.590 1.292 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.947 0.941 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.038 0.710 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.166 1.822 -0.241 1.00 0.00 H new ATOM 470 N SER A 31 8.170 3.788 -4.721 1.00 0.00 N ATOM 471 CA SER A 31 7.912 4.490 -6.004 1.00 0.00 C ATOM 472 C SER A 31 7.926 3.459 -7.129 1.00 0.00 C ATOM 473 O SER A 31 6.944 3.311 -7.804 1.00 0.00 O ATOM 474 CB SER A 31 9.018 5.511 -6.338 1.00 0.00 C ATOM 475 OG SER A 31 8.822 5.922 -7.694 1.00 0.00 O ATOM 0 H SER A 31 9.040 4.080 -4.275 1.00 0.00 H new ATOM 0 HA SER A 31 6.957 5.006 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.966 6.367 -5.666 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.004 5.065 -6.210 1.00 0.00 H new ATOM 0 HG SER A 31 7.862 5.965 -7.887 1.00 0.00 H new ATOM 481 N MET A 32 9.017 2.763 -7.304 1.00 0.00 N ATOM 482 CA MET A 32 9.015 1.746 -8.405 1.00 0.00 C ATOM 483 C MET A 32 8.136 0.545 -8.095 1.00 0.00 C ATOM 484 O MET A 32 7.597 -0.165 -8.941 1.00 0.00 O ATOM 485 CB MET A 32 10.470 1.230 -8.473 1.00 0.00 C ATOM 486 CG MET A 32 11.426 2.275 -9.007 1.00 0.00 C ATOM 487 SD MET A 32 13.055 1.495 -9.298 1.00 0.00 S ATOM 488 CE MET A 32 13.339 1.058 -7.546 1.00 0.00 C ATOM 0 H MET A 32 9.877 2.844 -6.761 1.00 0.00 H new ATOM 0 HA MET A 32 8.641 2.202 -9.322 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.791 0.922 -7.478 1.00 0.00 H new ATOM 0 HB3 MET A 32 10.510 0.345 -9.109 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.041 2.700 -9.934 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.523 3.096 -8.296 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.395 0.836 -7.393 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.048 1.895 -6.911 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.743 0.182 -7.288 1.00 0.00 H new ATOM 498 N LEU A 33 7.923 0.245 -6.837 1.00 0.00 N ATOM 499 CA LEU A 33 7.082 -0.953 -6.436 1.00 0.00 C ATOM 500 C LEU A 33 5.641 -0.568 -6.726 1.00 0.00 C ATOM 501 O LEU A 33 4.831 -1.323 -7.185 1.00 0.00 O ATOM 502 CB LEU A 33 7.225 -1.204 -4.930 1.00 0.00 C ATOM 503 CG LEU A 33 8.363 -2.193 -4.721 1.00 0.00 C ATOM 504 CD1 LEU A 33 8.729 -2.343 -3.244 1.00 0.00 C ATOM 505 CD2 LEU A 33 7.941 -3.573 -5.265 1.00 0.00 C ATOM 0 H LEU A 33 8.296 0.780 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 33 7.389 -1.850 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.431 -0.270 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.296 -1.601 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 33 9.235 -1.810 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.545 -3.058 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.041 -1.377 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.862 -2.701 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.752 -4.286 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.054 -3.918 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.718 -3.492 -6.329 1.00 0.00 H new ATOM 517 N PHE A 34 5.368 0.681 -6.434 1.00 0.00 N ATOM 518 CA PHE A 34 3.967 1.153 -6.755 1.00 0.00 C ATOM 519 C PHE A 34 3.880 1.479 -8.239 1.00 0.00 C ATOM 520 O PHE A 34 2.849 1.510 -8.859 1.00 0.00 O ATOM 521 CB PHE A 34 3.525 2.274 -5.839 1.00 0.00 C ATOM 522 CG PHE A 34 3.022 1.599 -4.567 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.913 1.045 -3.641 1.00 0.00 C ATOM 524 CD2 PHE A 34 1.652 1.549 -4.386 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.408 0.421 -2.491 1.00 0.00 C ATOM 526 CE2 PHE A 34 1.168 0.916 -3.226 1.00 0.00 C ATOM 527 CZ PHE A 34 2.033 0.355 -2.282 1.00 0.00 C ATOM 0 H PHE A 34 6.001 1.362 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 34 3.251 0.355 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.352 2.950 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.739 2.870 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.978 1.097 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.977 1.981 -5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.085 -0.008 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.102 0.862 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.638 -0.125 -1.399 1.00 0.00 H new ATOM 537 N ASN A 35 5.039 1.711 -8.807 1.00 0.00 N ATOM 538 CA ASN A 35 5.196 2.025 -10.242 1.00 0.00 C ATOM 539 C ASN A 35 4.825 0.742 -11.017 1.00 0.00 C ATOM 540 O ASN A 35 4.175 0.877 -12.026 1.00 0.00 O ATOM 541 CB ASN A 35 6.636 2.378 -10.623 1.00 0.00 C ATOM 542 CG ASN A 35 6.629 2.709 -12.134 1.00 0.00 C ATOM 543 OD1 ASN A 35 5.628 3.207 -12.596 1.00 0.00 O ATOM 544 ND2 ASN A 35 7.677 2.450 -12.849 1.00 0.00 N ATOM 0 H ASN A 35 5.921 1.691 -8.296 1.00 0.00 H new ATOM 0 HA ASN A 35 4.568 2.885 -10.475 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.992 3.229 -10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.307 1.545 -10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.681 2.667 -13.846 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.499 2.029 -12.416 1.00 0.00 H new ATOM 551 N GLN A 36 5.221 -0.414 -10.529 1.00 0.00 N ATOM 552 CA GLN A 36 4.889 -1.720 -11.134 1.00 0.00 C ATOM 553 C GLN A 36 3.501 -1.694 -11.828 1.00 0.00 C ATOM 554 O GLN A 36 3.263 -2.292 -12.844 1.00 0.00 O ATOM 555 CB GLN A 36 4.740 -2.725 -9.973 1.00 0.00 C ATOM 556 CG GLN A 36 6.095 -3.297 -9.612 1.00 0.00 C ATOM 557 CD GLN A 36 6.011 -4.783 -9.209 1.00 0.00 C ATOM 558 OE1 GLN A 36 6.132 -5.639 -10.059 1.00 0.00 O ATOM 559 NE2 GLN A 36 5.810 -5.119 -7.948 1.00 0.00 N ATOM 0 H GLN A 36 5.793 -0.492 -9.688 1.00 0.00 H new ATOM 0 HA GLN A 36 5.664 -1.972 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.301 -2.231 -9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.061 -3.528 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.770 -3.190 -10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.523 -2.723 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.709 -4.395 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.756 -6.103 -7.685 1.00 0.00 H new ATOM 568 N PHE A 37 2.627 -0.946 -11.185 1.00 0.00 N ATOM 569 CA PHE A 37 1.203 -0.694 -11.596 1.00 0.00 C ATOM 570 C PHE A 37 0.954 0.690 -12.212 1.00 0.00 C ATOM 571 O PHE A 37 1.440 1.682 -11.702 1.00 0.00 O ATOM 572 CB PHE A 37 0.323 -0.802 -10.311 1.00 0.00 C ATOM 573 CG PHE A 37 0.462 -2.218 -9.832 1.00 0.00 C ATOM 574 CD1 PHE A 37 -0.298 -3.272 -10.327 1.00 0.00 C ATOM 575 CD2 PHE A 37 1.420 -2.494 -8.829 1.00 0.00 C ATOM 576 CE1 PHE A 37 -0.093 -4.564 -9.830 1.00 0.00 C ATOM 577 CE2 PHE A 37 1.624 -3.787 -8.325 1.00 0.00 C ATOM 578 CZ PHE A 37 0.847 -4.847 -8.842 1.00 0.00 C ATOM 0 H PHE A 37 2.871 -0.463 -10.320 1.00 0.00 H new ATOM 0 HA PHE A 37 0.959 -1.428 -12.364 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.657 -0.098 -9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.718 -0.565 -10.530 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.042 -3.095 -11.090 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.015 -1.682 -8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.687 -5.373 -10.228 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.361 -3.968 -7.557 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.979 -5.856 -8.479 1.00 0.00 H new ATOM 588 N PRO A 38 0.203 0.766 -13.299 1.00 0.00 N ATOM 589 CA PRO A 38 -0.080 2.083 -13.953 1.00 0.00 C ATOM 590 C PRO A 38 -0.699 3.032 -12.925 1.00 0.00 C ATOM 591 O PRO A 38 -0.578 4.231 -12.967 1.00 0.00 O ATOM 592 CB PRO A 38 -1.079 1.688 -15.039 1.00 0.00 C ATOM 593 CG PRO A 38 -1.674 0.367 -14.518 1.00 0.00 C ATOM 594 CD PRO A 38 -0.443 -0.381 -14.001 1.00 0.00 C ATOM 0 HA PRO A 38 0.792 2.602 -14.352 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.848 2.449 -15.173 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.591 1.555 -16.004 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.405 0.537 -13.728 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.181 -0.187 -15.308 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.693 -1.205 -13.333 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.173 -0.794 -14.800 1.00 0.00 H new ATOM 602 N GLY A 39 -1.387 2.412 -11.979 1.00 0.00 N ATOM 603 CA GLY A 39 -2.087 3.112 -10.859 1.00 0.00 C ATOM 604 C GLY A 39 -1.129 4.046 -10.096 1.00 0.00 C ATOM 605 O GLY A 39 -1.614 5.008 -9.566 1.00 0.00 O ATOM 0 H GLY A 39 -1.490 1.398 -11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.923 3.689 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.505 2.376 -10.172 1.00 0.00 H new ATOM 609 N PHE A 40 0.110 3.697 -10.099 1.00 0.00 N ATOM 610 CA PHE A 40 1.219 4.424 -9.445 1.00 0.00 C ATOM 611 C PHE A 40 0.926 5.910 -9.327 1.00 0.00 C ATOM 612 O PHE A 40 1.335 6.732 -10.120 1.00 0.00 O ATOM 613 CB PHE A 40 2.435 4.309 -10.392 1.00 0.00 C ATOM 614 CG PHE A 40 3.610 5.096 -9.910 1.00 0.00 C ATOM 615 CD1 PHE A 40 4.068 4.943 -8.587 1.00 0.00 C ATOM 616 CD2 PHE A 40 4.269 5.990 -10.755 1.00 0.00 C ATOM 617 CE1 PHE A 40 5.159 5.671 -8.122 1.00 0.00 C ATOM 618 CE2 PHE A 40 5.371 6.723 -10.298 1.00 0.00 C ATOM 619 CZ PHE A 40 5.822 6.573 -8.984 1.00 0.00 C ATOM 0 H PHE A 40 0.428 2.853 -10.576 1.00 0.00 H new ATOM 0 HA PHE A 40 1.378 4.005 -8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.718 3.261 -10.489 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.152 4.656 -11.386 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.566 4.252 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.926 6.118 -11.771 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.498 5.547 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.875 7.408 -10.964 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.670 7.141 -8.631 1.00 0.00 H new ATOM 629 N LYS A 41 0.180 6.237 -8.290 1.00 0.00 N ATOM 630 CA LYS A 41 -0.162 7.663 -8.111 1.00 0.00 C ATOM 631 C LYS A 41 0.654 8.406 -7.069 1.00 0.00 C ATOM 632 O LYS A 41 1.320 9.375 -7.384 1.00 0.00 O ATOM 633 CB LYS A 41 -1.631 7.764 -7.642 1.00 0.00 C ATOM 634 CG LYS A 41 -2.488 8.494 -8.670 1.00 0.00 C ATOM 635 CD LYS A 41 -3.293 9.560 -7.930 1.00 0.00 C ATOM 636 CE LYS A 41 -4.307 10.218 -8.862 1.00 0.00 C ATOM 637 NZ LYS A 41 -4.218 11.692 -8.669 1.00 0.00 N ATOM 0 H LYS A 41 -0.189 5.593 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 41 0.040 8.120 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.032 6.764 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.676 8.289 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.861 8.951 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.154 7.796 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.810 9.109 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.619 10.316 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.098 9.956 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.314 9.864 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.901 12.166 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.435 11.926 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.256 12.015 -8.899 1.00 0.00 H new ATOM 651 N GLU A 42 0.604 7.961 -5.840 1.00 0.00 N ATOM 652 CA GLU A 42 1.383 8.668 -4.798 1.00 0.00 C ATOM 653 C GLU A 42 1.986 7.597 -3.872 1.00 0.00 C ATOM 654 O GLU A 42 1.338 6.634 -3.558 1.00 0.00 O ATOM 655 CB GLU A 42 0.583 9.722 -4.043 1.00 0.00 C ATOM 656 CG GLU A 42 1.458 10.376 -2.950 1.00 0.00 C ATOM 657 CD GLU A 42 2.326 11.495 -3.528 1.00 0.00 C ATOM 658 OE1 GLU A 42 2.615 11.528 -4.708 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.715 12.354 -2.743 1.00 0.00 O ATOM 0 H GLU A 42 0.067 7.154 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 42 2.176 9.247 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.225 10.483 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.297 9.265 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.820 10.778 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.094 9.620 -2.490 1.00 0.00 H new ATOM 666 N VAL A 43 3.206 7.848 -3.495 1.00 0.00 N ATOM 667 CA VAL A 43 4.021 6.986 -2.633 1.00 0.00 C ATOM 668 C VAL A 43 4.834 7.906 -1.706 1.00 0.00 C ATOM 669 O VAL A 43 5.627 8.721 -2.103 1.00 0.00 O ATOM 670 CB VAL A 43 5.025 6.241 -3.490 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.378 4.971 -4.082 1.00 0.00 C ATOM 672 CG2 VAL A 43 5.443 7.102 -4.686 1.00 0.00 C ATOM 0 H VAL A 43 3.699 8.693 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 43 3.386 6.292 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 43 5.879 5.997 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.108 4.443 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.046 4.320 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.522 5.251 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.164 6.555 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.566 7.338 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.897 8.026 -4.328 1.00 0.00 H new ATOM 682 N ARG A 44 4.530 7.729 -0.468 1.00 0.00 N ATOM 683 CA ARG A 44 5.148 8.583 0.563 1.00 0.00 C ATOM 684 C ARG A 44 5.731 7.710 1.667 1.00 0.00 C ATOM 685 O ARG A 44 5.074 7.288 2.587 1.00 0.00 O ATOM 686 CB ARG A 44 4.056 9.487 1.174 1.00 0.00 C ATOM 687 CG ARG A 44 4.721 10.728 1.745 1.00 0.00 C ATOM 688 CD ARG A 44 3.902 11.157 2.971 1.00 0.00 C ATOM 689 NE ARG A 44 4.129 10.156 4.034 1.00 0.00 N ATOM 690 CZ ARG A 44 3.808 10.436 5.273 1.00 0.00 C ATOM 691 NH1 ARG A 44 2.591 10.797 5.586 1.00 0.00 N ATOM 692 NH2 ARG A 44 4.696 10.363 6.232 1.00 0.00 N ATOM 0 H ARG A 44 3.877 7.027 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 44 5.939 9.185 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.325 9.764 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.516 8.953 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.753 10.517 2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.749 11.526 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.207 12.148 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.843 11.217 2.722 1.00 0.00 H new ATOM 0 HE ARG A 44 4.535 9.249 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.876 10.864 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.356 11.012 6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.654 10.085 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.430 10.584 7.191 1.00 0.00 H new ATOM 706 N LEU A 45 7.017 7.483 1.507 1.00 0.00 N ATOM 707 CA LEU A 45 7.816 6.723 2.491 1.00 0.00 C ATOM 708 C LEU A 45 9.258 7.274 2.419 1.00 0.00 C ATOM 709 O LEU A 45 10.016 6.729 1.657 1.00 0.00 O ATOM 710 CB LEU A 45 7.846 5.233 2.092 1.00 0.00 C ATOM 711 CG LEU A 45 8.558 4.399 3.164 1.00 0.00 C ATOM 712 CD1 LEU A 45 7.671 4.408 4.418 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.709 2.980 2.602 1.00 0.00 C ATOM 0 H LEU A 45 7.551 7.811 0.702 1.00 0.00 H new ATOM 0 HA LEU A 45 7.392 6.821 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.828 4.867 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.356 5.118 1.136 1.00 0.00 H new ATOM 0 HG LEU A 45 9.542 4.791 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.147 3.823 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.536 5.434 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.700 3.974 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.213 2.350 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.724 2.568 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.298 3.012 1.686 1.00 0.00 H new ATOM 725 N VAL A 46 9.574 8.290 3.212 1.00 0.00 N ATOM 726 CA VAL A 46 10.928 8.825 3.135 1.00 0.00 C ATOM 727 C VAL A 46 11.226 10.077 3.974 1.00 0.00 C ATOM 728 O VAL A 46 12.334 10.578 3.796 1.00 0.00 O ATOM 729 CB VAL A 46 11.234 9.234 1.655 1.00 0.00 C ATOM 730 CG1 VAL A 46 10.945 10.743 1.440 1.00 0.00 C ATOM 731 CG2 VAL A 46 12.713 9.030 1.407 1.00 0.00 C ATOM 0 H VAL A 46 8.950 8.741 3.882 1.00 0.00 H new ATOM 0 HA VAL A 46 11.543 8.016 3.530 1.00 0.00 H new ATOM 0 HB VAL A 46 10.615 8.635 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.163 11.011 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.896 10.947 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.573 11.333 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.952 9.309 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.286 9.652 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.968 7.982 1.567 1.00 0.00 H new ATOM 741 N PRO A 47 10.359 10.549 4.792 1.00 0.00 N ATOM 742 CA PRO A 47 10.688 11.783 5.557 1.00 0.00 C ATOM 743 C PRO A 47 11.639 11.426 6.683 1.00 0.00 C ATOM 744 O PRO A 47 12.699 10.893 6.436 1.00 0.00 O ATOM 745 CB PRO A 47 9.352 12.366 6.008 1.00 0.00 C ATOM 746 CG PRO A 47 8.578 11.071 6.387 1.00 0.00 C ATOM 747 CD PRO A 47 9.034 10.168 5.204 1.00 0.00 C ATOM 0 HA PRO A 47 11.210 12.542 4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.462 13.044 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.857 12.925 5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.871 10.673 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.498 11.217 6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.023 9.121 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.340 10.266 4.369 1.00 0.00 H new ATOM 755 N GLY A 48 11.333 11.671 7.919 1.00 0.00 N ATOM 756 CA GLY A 48 12.287 11.279 9.002 1.00 0.00 C ATOM 757 C GLY A 48 11.801 9.903 9.515 1.00 0.00 C ATOM 758 O GLY A 48 12.177 9.392 10.537 1.00 0.00 O ATOM 0 H GLY A 48 10.473 12.121 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.306 11.216 8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.291 12.016 9.805 1.00 0.00 H new ATOM 762 N ARG A 49 10.922 9.300 8.760 1.00 0.00 N ATOM 763 CA ARG A 49 10.316 7.990 9.062 1.00 0.00 C ATOM 764 C ARG A 49 10.885 6.836 8.242 1.00 0.00 C ATOM 765 O ARG A 49 11.741 6.155 8.758 1.00 0.00 O ATOM 766 CB ARG A 49 8.808 8.106 8.724 1.00 0.00 C ATOM 767 CG ARG A 49 8.017 8.720 9.873 1.00 0.00 C ATOM 768 CD ARG A 49 6.975 9.664 9.240 1.00 0.00 C ATOM 769 NE ARG A 49 7.454 11.060 9.510 1.00 0.00 N ATOM 770 CZ ARG A 49 6.849 11.869 10.321 1.00 0.00 C ATOM 771 NH1 ARG A 49 6.639 11.555 11.573 1.00 0.00 N ATOM 772 NH2 ARG A 49 6.427 13.036 9.912 1.00 0.00 N ATOM 0 H ARG A 49 10.584 9.703 7.886 1.00 0.00 H new ATOM 0 HA ARG A 49 10.522 7.765 10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.682 8.715 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.409 7.118 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.529 7.945 10.464 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.676 9.267 10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.887 9.483 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.988 9.501 9.673 1.00 0.00 H new ATOM 0 HE ARG A 49 8.294 11.387 9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.954 10.654 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.160 12.211 12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.572 13.320 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.952 13.663 10.562 1.00 0.00 H new ATOM 786 N HIS A 50 10.366 6.657 7.047 1.00 0.00 N ATOM 787 CA HIS A 50 10.781 5.482 6.157 1.00 0.00 C ATOM 788 C HIS A 50 10.212 4.230 6.892 1.00 0.00 C ATOM 789 O HIS A 50 10.586 3.109 6.677 1.00 0.00 O ATOM 790 CB HIS A 50 12.276 5.261 6.033 1.00 0.00 C ATOM 791 CG HIS A 50 13.108 6.477 6.376 1.00 0.00 C ATOM 792 ND1 HIS A 50 14.262 6.302 7.150 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.970 7.797 6.077 1.00 0.00 C ATOM 794 CE1 HIS A 50 14.766 7.529 7.280 1.00 0.00 C ATOM 795 NE2 HIS A 50 14.028 8.468 6.657 1.00 0.00 N ATOM 0 H HIS A 50 9.665 7.272 6.633 1.00 0.00 H new ATOM 0 HA HIS A 50 10.417 5.671 5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.567 4.438 6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.504 4.953 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.177 8.239 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.671 7.747 7.827 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.213 9.470 6.621 1.00 0.00 H new ATOM 804 N ASP A 51 9.281 4.511 7.787 1.00 0.00 N ATOM 805 CA ASP A 51 8.627 3.432 8.620 1.00 0.00 C ATOM 806 C ASP A 51 7.107 3.497 8.651 1.00 0.00 C ATOM 807 O ASP A 51 6.485 2.646 9.225 1.00 0.00 O ATOM 808 CB ASP A 51 9.215 3.432 10.043 1.00 0.00 C ATOM 809 CG ASP A 51 8.646 4.636 10.794 1.00 0.00 C ATOM 810 OD1 ASP A 51 8.705 5.754 10.287 1.00 0.00 O ATOM 811 OD2 ASP A 51 8.148 4.390 11.894 1.00 0.00 O ATOM 0 H ASP A 51 8.942 5.454 7.978 1.00 0.00 H new ATOM 0 HA ASP A 51 8.857 2.487 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.960 2.507 10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.303 3.487 10.005 1.00 0.00 H new ATOM 816 N ILE A 52 6.572 4.504 8.004 1.00 0.00 N ATOM 817 CA ILE A 52 5.132 4.766 7.846 1.00 0.00 C ATOM 818 C ILE A 52 4.984 5.140 6.352 1.00 0.00 C ATOM 819 O ILE A 52 5.483 6.132 5.887 1.00 0.00 O ATOM 820 CB ILE A 52 4.567 5.818 8.776 1.00 0.00 C ATOM 821 CG1 ILE A 52 5.274 7.137 8.525 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.776 5.372 10.241 1.00 0.00 C ATOM 823 CD1 ILE A 52 4.297 8.086 7.819 1.00 0.00 C ATOM 0 H ILE A 52 7.146 5.210 7.543 1.00 0.00 H new ATOM 0 HA ILE A 52 4.545 3.892 8.127 1.00 0.00 H new ATOM 0 HB ILE A 52 3.500 5.943 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.611 7.571 9.466 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.161 6.981 7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.370 6.128 10.913 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.264 4.424 10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.841 5.249 10.435 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.789 9.040 7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.983 7.646 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.424 8.246 8.452 1.00 0.00 H new ATOM 835 N ALA A 53 4.307 4.265 5.622 1.00 0.00 N ATOM 836 CA ALA A 53 4.163 4.403 4.173 1.00 0.00 C ATOM 837 C ALA A 53 2.690 4.692 3.809 1.00 0.00 C ATOM 838 O ALA A 53 1.853 3.888 4.142 1.00 0.00 O ATOM 839 CB ALA A 53 4.643 3.145 3.425 1.00 0.00 C ATOM 0 H ALA A 53 3.844 3.444 6.011 1.00 0.00 H new ATOM 0 HA ALA A 53 4.790 5.238 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.518 3.290 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.695 2.969 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.055 2.285 3.745 1.00 0.00 H new ATOM 845 N PHE A 54 2.560 5.812 3.178 1.00 0.00 N ATOM 846 CA PHE A 54 1.262 6.340 2.616 1.00 0.00 C ATOM 847 C PHE A 54 1.352 6.337 1.067 1.00 0.00 C ATOM 848 O PHE A 54 2.034 7.117 0.437 1.00 0.00 O ATOM 849 CB PHE A 54 0.983 7.781 3.008 1.00 0.00 C ATOM 850 CG PHE A 54 -0.510 7.997 3.243 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.430 7.883 2.200 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.903 8.316 4.556 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.789 8.098 2.476 1.00 0.00 C ATOM 854 CE2 PHE A 54 -2.264 8.520 4.791 1.00 0.00 C ATOM 855 CZ PHE A 54 -3.234 8.420 3.767 1.00 0.00 C ATOM 0 H PHE A 54 3.348 6.437 3.010 1.00 0.00 H new ATOM 0 HA PHE A 54 0.474 5.699 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.538 8.031 3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.333 8.451 2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.103 7.634 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.179 8.400 5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.509 8.014 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.588 8.763 5.792 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.281 8.586 3.972 1.00 0.00 H new ATOM 865 N VAL A 55 0.639 5.351 0.514 1.00 0.00 N ATOM 866 CA VAL A 55 0.637 5.053 -0.924 1.00 0.00 C ATOM 867 C VAL A 55 -0.778 4.977 -1.473 1.00 0.00 C ATOM 868 O VAL A 55 -1.552 4.084 -1.209 1.00 0.00 O ATOM 869 CB VAL A 55 1.323 3.665 -1.072 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.817 3.578 -2.488 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.555 3.545 -0.146 1.00 0.00 C ATOM 0 H VAL A 55 0.040 4.730 1.057 1.00 0.00 H new ATOM 0 HA VAL A 55 1.155 5.836 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 55 0.612 2.880 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.309 2.618 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.975 3.670 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.527 4.384 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.012 2.564 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.279 4.318 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.244 3.669 0.891 1.00 0.00 H new ATOM 881 N GLU A 56 -1.023 5.993 -2.282 1.00 0.00 N ATOM 882 CA GLU A 56 -2.279 6.290 -2.976 1.00 0.00 C ATOM 883 C GLU A 56 -2.244 5.762 -4.431 1.00 0.00 C ATOM 884 O GLU A 56 -1.577 6.253 -5.297 1.00 0.00 O ATOM 885 CB GLU A 56 -2.605 7.795 -3.039 1.00 0.00 C ATOM 886 CG GLU A 56 -3.947 8.063 -3.759 1.00 0.00 C ATOM 887 CD GLU A 56 -4.165 9.571 -3.899 1.00 0.00 C ATOM 888 OE1 GLU A 56 -4.105 10.219 -2.863 1.00 0.00 O ATOM 889 OE2 GLU A 56 -4.380 10.076 -4.979 1.00 0.00 O ATOM 0 H GLU A 56 -0.303 6.685 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.051 5.790 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.648 8.200 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.803 8.319 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.943 7.594 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.768 7.618 -3.197 1.00 0.00 H new ATOM 896 N PHE A 57 -2.975 4.708 -4.613 1.00 0.00 N ATOM 897 CA PHE A 57 -3.067 3.929 -5.878 1.00 0.00 C ATOM 898 C PHE A 57 -4.313 4.324 -6.706 1.00 0.00 C ATOM 899 O PHE A 57 -5.390 3.967 -6.322 1.00 0.00 O ATOM 900 CB PHE A 57 -3.293 2.432 -5.556 1.00 0.00 C ATOM 901 CG PHE A 57 -2.174 1.595 -6.128 1.00 0.00 C ATOM 902 CD1 PHE A 57 -2.112 1.508 -7.510 1.00 0.00 C ATOM 903 CD2 PHE A 57 -1.253 0.943 -5.308 1.00 0.00 C ATOM 904 CE1 PHE A 57 -1.096 0.741 -8.097 1.00 0.00 C ATOM 905 CE2 PHE A 57 -0.253 0.187 -5.938 1.00 0.00 C ATOM 906 CZ PHE A 57 -0.160 0.077 -7.315 1.00 0.00 C ATOM 0 H PHE A 57 -3.562 4.323 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.143 4.125 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.347 2.290 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.248 2.105 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.835 2.023 -8.125 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.307 1.017 -4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.040 0.665 -9.173 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.472 -0.329 -5.326 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.623 -0.512 -7.771 1.00 0.00 H new ATOM 916 N ASP A 58 -4.027 5.056 -7.717 1.00 0.00 N ATOM 917 CA ASP A 58 -5.040 5.641 -8.658 1.00 0.00 C ATOM 918 C ASP A 58 -6.354 4.897 -8.629 1.00 0.00 C ATOM 919 O ASP A 58 -7.417 5.497 -8.554 1.00 0.00 O ATOM 920 CB ASP A 58 -4.477 5.720 -10.096 1.00 0.00 C ATOM 921 CG ASP A 58 -5.368 6.671 -10.918 1.00 0.00 C ATOM 922 OD1 ASP A 58 -5.604 7.756 -10.386 1.00 0.00 O ATOM 923 OD2 ASP A 58 -5.773 6.317 -12.006 1.00 0.00 O ATOM 0 H ASP A 58 -3.067 5.300 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.246 6.654 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.449 6.082 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.459 4.730 -10.551 1.00 0.00 H new ATOM 928 N ASN A 59 -6.293 3.606 -8.686 1.00 0.00 N ATOM 929 CA ASN A 59 -7.578 2.816 -8.654 1.00 0.00 C ATOM 930 C ASN A 59 -7.376 1.536 -7.842 1.00 0.00 C ATOM 931 O ASN A 59 -6.355 0.898 -7.871 1.00 0.00 O ATOM 932 CB ASN A 59 -8.037 2.566 -10.076 1.00 0.00 C ATOM 933 CG ASN A 59 -8.132 1.095 -10.449 1.00 0.00 C ATOM 934 OD1 ASN A 59 -7.263 0.277 -10.318 1.00 0.00 O ATOM 935 ND2 ASN A 59 -9.269 0.678 -10.966 1.00 0.00 N ATOM 0 H ASN A 59 -5.436 3.057 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.371 3.373 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.013 3.029 -10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.347 3.059 -10.761 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.379 -0.300 -11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.040 1.333 -11.099 1.00 0.00 H new ATOM 942 N GLU A 60 -8.386 1.190 -7.106 1.00 0.00 N ATOM 943 CA GLU A 60 -8.435 -0.010 -6.213 1.00 0.00 C ATOM 944 C GLU A 60 -8.095 -1.348 -6.907 1.00 0.00 C ATOM 945 O GLU A 60 -7.734 -2.334 -6.325 1.00 0.00 O ATOM 946 CB GLU A 60 -9.773 -0.089 -5.460 1.00 0.00 C ATOM 947 CG GLU A 60 -10.933 0.296 -6.366 1.00 0.00 C ATOM 948 CD GLU A 60 -12.213 -0.426 -5.925 1.00 0.00 C ATOM 949 OE1 GLU A 60 -12.624 -0.229 -4.796 1.00 0.00 O ATOM 950 OE2 GLU A 60 -12.771 -1.163 -6.716 1.00 0.00 O ATOM 0 H GLU A 60 -9.250 1.732 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.633 0.140 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.922 -1.100 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.747 0.574 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.086 1.375 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.699 0.038 -7.399 1.00 0.00 H new ATOM 957 N VAL A 61 -8.181 -1.446 -8.220 1.00 0.00 N ATOM 958 CA VAL A 61 -7.822 -2.737 -8.921 1.00 0.00 C ATOM 959 C VAL A 61 -6.268 -2.789 -8.844 1.00 0.00 C ATOM 960 O VAL A 61 -5.655 -3.799 -8.591 1.00 0.00 O ATOM 961 CB VAL A 61 -8.322 -2.717 -10.358 1.00 0.00 C ATOM 962 CG1 VAL A 61 -7.935 -4.046 -11.013 1.00 0.00 C ATOM 963 CG2 VAL A 61 -9.846 -2.522 -10.384 1.00 0.00 C ATOM 0 H VAL A 61 -8.483 -0.692 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.278 -3.616 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.872 -1.890 -10.906 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.283 -4.057 -12.046 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.851 -4.159 -10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.395 -4.869 -10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.194 -2.509 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.327 -3.341 -9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.100 -1.577 -9.904 1.00 0.00 H new ATOM 973 N GLN A 62 -5.719 -1.611 -9.075 1.00 0.00 N ATOM 974 CA GLN A 62 -4.233 -1.512 -8.999 1.00 0.00 C ATOM 975 C GLN A 62 -3.821 -1.408 -7.533 1.00 0.00 C ATOM 976 O GLN A 62 -2.742 -1.876 -7.188 1.00 0.00 O ATOM 977 CB GLN A 62 -3.615 -0.339 -9.782 1.00 0.00 C ATOM 978 CG GLN A 62 -4.291 -0.071 -11.145 1.00 0.00 C ATOM 979 CD GLN A 62 -4.631 1.416 -11.318 1.00 0.00 C ATOM 980 OE1 GLN A 62 -4.771 2.099 -10.336 1.00 0.00 O ATOM 981 NE2 GLN A 62 -4.776 1.985 -12.475 1.00 0.00 N ATOM 0 H GLN A 62 -6.218 -0.751 -9.303 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.848 -2.415 -9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.676 0.563 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.557 -0.542 -9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.630 -0.391 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.201 -0.666 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.665 1.439 -13.329 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.001 2.978 -12.530 1.00 0.00 H new ATOM 990 N ALA A 63 -4.594 -0.847 -6.677 1.00 0.00 N ATOM 991 CA ALA A 63 -4.198 -0.724 -5.239 1.00 0.00 C ATOM 992 C ALA A 63 -4.288 -2.166 -4.711 1.00 0.00 C ATOM 993 O ALA A 63 -3.478 -2.675 -3.988 1.00 0.00 O ATOM 994 CB ALA A 63 -5.166 0.180 -4.497 1.00 0.00 C ATOM 0 H ALA A 63 -5.508 -0.454 -6.901 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.208 -0.287 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.863 0.258 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.160 1.171 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.171 -0.239 -4.553 1.00 0.00 H new ATOM 1000 N GLY A 64 -5.338 -2.798 -5.142 1.00 0.00 N ATOM 1001 CA GLY A 64 -5.603 -4.213 -4.732 1.00 0.00 C ATOM 1002 C GLY A 64 -4.583 -5.106 -5.389 1.00 0.00 C ATOM 1003 O GLY A 64 -4.125 -6.104 -4.818 1.00 0.00 O ATOM 0 H GLY A 64 -6.036 -2.396 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.547 -4.309 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.610 -4.509 -5.026 1.00 0.00 H new ATOM 1007 N ALA A 65 -4.165 -4.839 -6.582 1.00 0.00 N ATOM 1008 CA ALA A 65 -3.156 -5.681 -7.296 1.00 0.00 C ATOM 1009 C ALA A 65 -1.846 -5.560 -6.541 1.00 0.00 C ATOM 1010 O ALA A 65 -1.275 -6.520 -6.045 1.00 0.00 O ATOM 1011 CB ALA A 65 -2.926 -5.165 -8.719 1.00 0.00 C ATOM 0 H ALA A 65 -4.490 -4.038 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.512 -6.710 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.188 -5.793 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.864 -5.196 -9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.562 -4.139 -8.679 1.00 0.00 H new ATOM 1017 N ALA A 66 -1.318 -4.354 -6.424 1.00 0.00 N ATOM 1018 CA ALA A 66 -0.019 -4.110 -5.695 1.00 0.00 C ATOM 1019 C ALA A 66 -0.158 -4.523 -4.261 1.00 0.00 C ATOM 1020 O ALA A 66 0.694 -5.189 -3.701 1.00 0.00 O ATOM 1021 CB ALA A 66 0.229 -2.612 -5.735 1.00 0.00 C ATOM 0 H ALA A 66 -1.743 -3.512 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 66 0.793 -4.674 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.161 -2.384 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.298 -2.282 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.594 -2.094 -5.244 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.228 -4.173 -3.589 1.00 0.00 N ATOM 1028 CA ARG A 67 -1.449 -4.543 -2.178 1.00 0.00 C ATOM 1029 C ARG A 67 -1.383 -6.071 -2.048 1.00 0.00 C ATOM 1030 O ARG A 67 -0.636 -6.623 -1.293 1.00 0.00 O ATOM 1031 CB ARG A 67 -2.777 -4.041 -1.611 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.817 -4.059 -0.059 1.00 0.00 C ATOM 1033 CD ARG A 67 -3.025 -5.461 0.509 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.316 -6.075 0.092 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.306 -6.111 0.934 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -5.408 -7.117 1.744 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -6.161 -5.139 0.937 1.00 0.00 N ATOM 0 H ARG A 67 -1.985 -3.620 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.664 -4.060 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.955 -3.025 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.588 -4.658 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.885 -3.649 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.620 -3.408 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.204 -6.102 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.986 -5.415 1.597 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.423 -6.464 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.717 -7.867 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.179 -7.159 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.052 -4.362 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.944 -5.151 1.591 1.00 0.00 H new ATOM 1051 N ASP A 68 -2.157 -6.807 -2.814 1.00 0.00 N ATOM 1052 CA ASP A 68 -2.132 -8.309 -2.763 1.00 0.00 C ATOM 1053 C ASP A 68 -0.729 -8.872 -3.118 1.00 0.00 C ATOM 1054 O ASP A 68 -0.263 -9.850 -2.573 1.00 0.00 O ATOM 1055 CB ASP A 68 -3.166 -8.890 -3.724 1.00 0.00 C ATOM 1056 CG ASP A 68 -3.697 -10.228 -3.174 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -4.473 -10.242 -2.246 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -3.260 -11.214 -3.763 1.00 0.00 O ATOM 0 H ASP A 68 -2.820 -6.422 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.372 -8.602 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.989 -8.188 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.718 -9.042 -4.706 1.00 0.00 H new ATOM 1063 N ALA A 69 -0.068 -8.211 -4.044 1.00 0.00 N ATOM 1064 CA ALA A 69 1.290 -8.636 -4.469 1.00 0.00 C ATOM 1065 C ALA A 69 2.326 -8.518 -3.327 1.00 0.00 C ATOM 1066 O ALA A 69 3.167 -9.376 -3.127 1.00 0.00 O ATOM 1067 CB ALA A 69 1.768 -7.741 -5.625 1.00 0.00 C ATOM 0 H ALA A 69 -0.425 -7.385 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 69 1.217 -9.681 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.765 -8.052 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.079 -7.832 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.799 -6.703 -5.293 1.00 0.00 H new ATOM 1073 N LEU A 70 2.227 -7.426 -2.593 1.00 0.00 N ATOM 1074 CA LEU A 70 3.157 -7.169 -1.449 1.00 0.00 C ATOM 1075 C LEU A 70 2.282 -6.956 -0.203 1.00 0.00 C ATOM 1076 O LEU A 70 2.491 -6.096 0.627 1.00 0.00 O ATOM 1077 CB LEU A 70 4.022 -5.930 -1.756 1.00 0.00 C ATOM 1078 CG LEU A 70 3.101 -4.710 -1.811 1.00 0.00 C ATOM 1079 CD1 LEU A 70 3.541 -3.582 -0.879 1.00 0.00 C ATOM 1080 CD2 LEU A 70 3.231 -4.153 -3.241 1.00 0.00 C ATOM 0 H LEU A 70 1.531 -6.696 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 70 3.839 -8.003 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.784 -5.798 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.544 -6.056 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 70 2.098 -5.021 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.846 -2.747 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.549 -3.942 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.542 -3.251 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.595 -3.275 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.268 -3.875 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.923 -4.914 -3.957 1.00 0.00 H new ATOM 1092 N GLN A 71 1.267 -7.768 -0.072 1.00 0.00 N ATOM 1093 CA GLN A 71 0.303 -7.705 1.079 1.00 0.00 C ATOM 1094 C GLN A 71 0.952 -8.139 2.396 1.00 0.00 C ATOM 1095 O GLN A 71 0.444 -7.929 3.482 1.00 0.00 O ATOM 1096 CB GLN A 71 -0.900 -8.625 0.867 1.00 0.00 C ATOM 1097 CG GLN A 71 -1.926 -8.377 1.974 1.00 0.00 C ATOM 1098 CD GLN A 71 -1.933 -9.538 2.974 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -1.718 -9.364 4.166 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -2.168 -10.755 2.578 1.00 0.00 N ATOM 0 H GLN A 71 1.054 -8.506 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.011 -6.662 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.348 -8.438 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.582 -9.667 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.693 -7.446 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.918 -8.260 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.352 -10.944 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.168 -11.520 3.253 1.00 0.00 H new ATOM 1109 N GLY A 72 2.093 -8.750 2.267 1.00 0.00 N ATOM 1110 CA GLY A 72 2.863 -9.242 3.465 1.00 0.00 C ATOM 1111 C GLY A 72 4.320 -9.348 2.962 1.00 0.00 C ATOM 1112 O GLY A 72 4.957 -10.340 3.174 1.00 0.00 O ATOM 0 H GLY A 72 2.541 -8.938 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.780 -8.550 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.490 -10.206 3.810 1.00 0.00 H new ATOM 1116 N PHE A 73 4.701 -8.297 2.306 1.00 0.00 N ATOM 1117 CA PHE A 73 6.078 -8.232 1.703 1.00 0.00 C ATOM 1118 C PHE A 73 7.010 -8.641 2.869 1.00 0.00 C ATOM 1119 O PHE A 73 7.193 -7.807 3.709 1.00 0.00 O ATOM 1120 CB PHE A 73 6.413 -6.855 1.179 1.00 0.00 C ATOM 1121 CG PHE A 73 7.683 -6.850 0.343 1.00 0.00 C ATOM 1122 CD1 PHE A 73 8.819 -7.579 0.664 1.00 0.00 C ATOM 1123 CD2 PHE A 73 7.716 -6.066 -0.823 1.00 0.00 C ATOM 1124 CE1 PHE A 73 9.960 -7.515 -0.173 1.00 0.00 C ATOM 1125 CE2 PHE A 73 8.835 -6.001 -1.651 1.00 0.00 C ATOM 1126 CZ PHE A 73 9.975 -6.738 -1.319 1.00 0.00 C ATOM 0 H PHE A 73 4.125 -7.469 2.154 1.00 0.00 H new ATOM 0 HA PHE A 73 6.176 -8.882 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.583 -6.486 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.529 -6.168 2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.833 -8.195 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.840 -5.492 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.839 -8.086 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.821 -5.388 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.854 -6.702 -1.946 1.00 0.00 H new ATOM 1136 N LYS A 74 7.456 -9.850 2.837 1.00 0.00 N ATOM 1137 CA LYS A 74 8.325 -10.460 3.843 1.00 0.00 C ATOM 1138 C LYS A 74 9.560 -9.642 4.215 1.00 0.00 C ATOM 1139 O LYS A 74 10.641 -10.217 4.299 1.00 0.00 O ATOM 1140 CB LYS A 74 8.705 -11.927 3.522 1.00 0.00 C ATOM 1141 CG LYS A 74 8.886 -12.184 2.055 1.00 0.00 C ATOM 1142 CD LYS A 74 10.066 -13.143 1.774 1.00 0.00 C ATOM 1143 CE LYS A 74 9.687 -14.489 2.370 1.00 0.00 C ATOM 1144 NZ LYS A 74 10.724 -14.848 3.383 1.00 0.00 N ATOM 0 H LYS A 74 7.225 -10.491 2.078 1.00 0.00 H new ATOM 0 HA LYS A 74 7.696 -10.468 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.628 -12.179 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.929 -12.589 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.969 -12.608 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.057 -11.239 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.246 -13.231 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.986 -12.767 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.702 -14.438 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.634 -15.250 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.490 -15.768 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.654 -14.907 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.751 -14.120 4.125 1.00 0.00 H new ATOM 1158 N ILE A 75 9.420 -8.391 4.436 1.00 0.00 N ATOM 1159 CA ILE A 75 10.668 -7.693 4.928 1.00 0.00 C ATOM 1160 C ILE A 75 10.740 -8.428 6.310 1.00 0.00 C ATOM 1161 O ILE A 75 11.789 -8.430 6.824 1.00 0.00 O ATOM 1162 CB ILE A 75 10.316 -6.234 5.073 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.474 -5.492 3.723 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.224 -5.593 6.098 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.475 -4.360 3.588 1.00 0.00 C ATOM 0 H ILE A 75 8.577 -7.829 4.318 1.00 0.00 H new ATOM 0 HA ILE A 75 11.584 -7.726 4.338 1.00 0.00 H new ATOM 0 HB ILE A 75 9.277 -6.162 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.486 -5.096 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.340 -6.196 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.968 -4.538 6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.099 -6.093 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.261 -5.685 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.616 -3.863 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.462 -4.760 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.627 -3.643 4.394 1.00 0.00 H new ATOM 1177 N THR A 76 9.598 -8.977 6.699 1.00 0.00 N ATOM 1178 CA THR A 76 9.386 -9.813 7.879 1.00 0.00 C ATOM 1179 C THR A 76 10.552 -10.828 7.912 1.00 0.00 C ATOM 1180 O THR A 76 10.875 -11.306 8.961 1.00 0.00 O ATOM 1181 CB THR A 76 8.315 -10.845 7.383 1.00 0.00 C ATOM 1182 OG1 THR A 76 7.054 -10.340 7.221 1.00 0.00 O ATOM 1183 CG2 THR A 76 8.348 -11.834 8.526 1.00 0.00 C ATOM 0 H THR A 76 8.738 -8.844 6.167 1.00 0.00 H new ATOM 0 HA THR A 76 9.211 -9.212 8.771 1.00 0.00 H new ATOM 0 HB THR A 76 8.541 -11.234 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.521 -10.958 6.678 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.639 -12.639 8.332 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.351 -12.249 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.078 -11.328 9.453 1.00 0.00 H new ATOM 1191 N GLN A 77 11.049 -11.037 6.746 1.00 0.00 N ATOM 1192 CA GLN A 77 12.269 -11.926 6.722 1.00 0.00 C ATOM 1193 C GLN A 77 13.133 -11.198 7.798 1.00 0.00 C ATOM 1194 O GLN A 77 14.083 -11.692 8.340 1.00 0.00 O ATOM 1195 CB GLN A 77 12.928 -11.992 5.380 1.00 0.00 C ATOM 1196 CG GLN A 77 14.461 -11.923 5.565 1.00 0.00 C ATOM 1197 CD GLN A 77 15.185 -12.380 4.315 1.00 0.00 C ATOM 1198 OE1 GLN A 77 16.159 -11.750 3.940 1.00 0.00 O ATOM 1199 NE2 GLN A 77 14.766 -13.424 3.661 1.00 0.00 N ATOM 0 H GLN A 77 10.712 -10.673 5.855 1.00 0.00 H new ATOM 0 HA GLN A 77 12.075 -12.980 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.652 -12.915 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.587 -11.168 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.755 -10.901 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.757 -12.547 6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.949 -13.938 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.255 -13.728 2.819 1.00 0.00 H new ATOM 1208 N ASN A 78 12.690 -9.980 8.073 1.00 0.00 N ATOM 1209 CA ASN A 78 13.271 -9.053 9.053 1.00 0.00 C ATOM 1210 C ASN A 78 12.187 -7.943 9.229 1.00 0.00 C ATOM 1211 O ASN A 78 12.561 -6.829 9.398 1.00 0.00 O ATOM 1212 CB ASN A 78 14.492 -8.416 8.352 1.00 0.00 C ATOM 1213 CG ASN A 78 15.472 -7.803 9.320 1.00 0.00 C ATOM 1214 OD1 ASN A 78 15.284 -6.705 9.805 1.00 0.00 O ATOM 1215 ND2 ASN A 78 16.539 -8.480 9.630 1.00 0.00 N ATOM 0 H ASN A 78 11.877 -9.585 7.600 1.00 0.00 H new ATOM 0 HA ASN A 78 13.552 -9.515 9.999 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.002 -9.176 7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.147 -7.649 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.220 -8.089 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.695 -9.402 9.222 1.00 0.00 H new ATOM 1222 N ASN A 79 10.936 -8.365 9.148 1.00 0.00 N ATOM 1223 CA ASN A 79 9.731 -7.534 9.271 1.00 0.00 C ATOM 1224 C ASN A 79 8.676 -7.608 8.140 1.00 0.00 C ATOM 1225 O ASN A 79 8.832 -7.093 7.069 1.00 0.00 O ATOM 1226 CB ASN A 79 10.028 -6.028 9.308 1.00 0.00 C ATOM 1227 CG ASN A 79 10.470 -5.516 10.637 1.00 0.00 C ATOM 1228 OD1 ASN A 79 11.450 -4.797 10.745 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.808 -5.820 11.728 1.00 0.00 N ATOM 0 H ASN A 79 10.713 -9.347 8.986 1.00 0.00 H new ATOM 0 HA ASN A 79 9.342 -7.963 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.800 -5.805 8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.132 -5.487 9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.117 -5.458 12.630 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.984 -6.419 11.674 1.00 0.00 H new ATOM 1236 N ALA A 80 7.475 -8.075 8.365 1.00 0.00 N ATOM 1237 CA ALA A 80 6.436 -8.105 7.282 1.00 0.00 C ATOM 1238 C ALA A 80 5.976 -6.690 7.056 1.00 0.00 C ATOM 1239 O ALA A 80 5.698 -5.987 7.998 1.00 0.00 O ATOM 1240 CB ALA A 80 5.188 -8.886 7.707 1.00 0.00 C ATOM 0 H ALA A 80 7.162 -8.442 9.264 1.00 0.00 H new ATOM 0 HA ALA A 80 6.879 -8.572 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.462 -8.883 6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.465 -9.914 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.748 -8.418 8.588 1.00 0.00 H new ATOM 1246 N MET A 81 5.907 -6.312 5.822 1.00 0.00 N ATOM 1247 CA MET A 81 5.464 -4.891 5.625 1.00 0.00 C ATOM 1248 C MET A 81 3.982 -4.792 5.942 1.00 0.00 C ATOM 1249 O MET A 81 3.267 -5.735 5.626 1.00 0.00 O ATOM 1250 CB MET A 81 5.844 -4.428 4.235 1.00 0.00 C ATOM 1251 CG MET A 81 4.729 -3.632 3.547 1.00 0.00 C ATOM 1252 SD MET A 81 5.403 -2.306 2.495 1.00 0.00 S ATOM 1253 CE MET A 81 6.618 -3.263 1.573 1.00 0.00 C ATOM 0 H MET A 81 6.117 -6.864 4.990 1.00 0.00 H new ATOM 0 HA MET A 81 5.972 -4.211 6.309 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.740 -3.811 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.095 -5.295 3.624 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.122 -4.305 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.071 -3.200 4.301 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.049 -2.643 0.787 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.408 -3.595 2.247 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.134 -4.131 1.126 1.00 0.00 H new ATOM 1263 N LYS A 82 3.428 -3.756 6.528 1.00 0.00 N ATOM 1264 CA LYS A 82 1.968 -3.702 6.831 1.00 0.00 C ATOM 1265 C LYS A 82 1.445 -2.336 6.289 1.00 0.00 C ATOM 1266 O LYS A 82 1.851 -1.324 6.804 1.00 0.00 O ATOM 1267 CB LYS A 82 1.684 -3.944 8.308 1.00 0.00 C ATOM 1268 CG LYS A 82 1.954 -5.438 8.629 1.00 0.00 C ATOM 1269 CD LYS A 82 0.666 -6.072 9.184 1.00 0.00 C ATOM 1270 CE LYS A 82 -0.487 -5.879 8.193 1.00 0.00 C ATOM 1271 NZ LYS A 82 -1.521 -6.928 8.342 1.00 0.00 N ATOM 0 H LYS A 82 3.945 -2.925 6.815 1.00 0.00 H new ATOM 0 HA LYS A 82 1.427 -4.508 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.317 -3.305 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.650 -3.688 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.275 -5.964 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.761 -5.527 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.824 -7.135 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.412 -5.618 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.939 -4.899 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.098 -5.894 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.284 -6.763 7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.096 -7.861 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.911 -6.897 9.306 1.00 0.00 H new ATOM 1285 N ILE A 83 0.611 -2.506 5.286 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.033 -1.460 4.470 1.00 0.00 C ATOM 1287 C ILE A 83 -1.560 -1.725 4.604 1.00 0.00 C ATOM 1288 O ILE A 83 -2.058 -2.790 4.349 1.00 0.00 O ATOM 1289 CB ILE A 83 0.439 -1.634 3.000 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.915 -1.216 2.914 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.381 -0.748 2.086 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.392 -1.549 1.490 1.00 0.00 C ATOM 0 H ILE A 83 0.335 -3.441 4.985 1.00 0.00 H new ATOM 0 HA ILE A 83 0.214 -0.446 4.784 1.00 0.00 H new ATOM 0 HB ILE A 83 0.315 -2.673 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.027 -0.152 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.511 -1.749 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.044 -0.876 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.433 -1.023 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.257 0.294 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.440 -1.268 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.283 -2.619 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.792 -0.997 0.767 1.00 0.00 H new ATOM 1304 N SER A 84 -2.181 -0.704 5.059 1.00 0.00 N ATOM 1305 CA SER A 84 -3.623 -0.733 5.385 1.00 0.00 C ATOM 1306 C SER A 84 -4.398 0.258 4.520 1.00 0.00 C ATOM 1307 O SER A 84 -4.308 1.416 4.763 1.00 0.00 O ATOM 1308 CB SER A 84 -3.904 -0.413 6.872 1.00 0.00 C ATOM 1309 OG SER A 84 -4.964 -1.263 7.295 1.00 0.00 O ATOM 0 H SER A 84 -1.735 0.197 5.230 1.00 0.00 H new ATOM 0 HA SER A 84 -3.955 -1.751 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.012 -0.581 7.476 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.179 0.635 6.994 1.00 0.00 H new ATOM 0 HG SER A 84 -5.168 -1.087 8.237 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.089 -0.262 3.579 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.981 0.564 2.691 1.00 0.00 C ATOM 1317 C PHE A 85 -6.739 1.562 3.538 1.00 0.00 C ATOM 1318 O PHE A 85 -6.934 1.342 4.728 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.050 -0.381 2.094 1.00 0.00 C ATOM 1320 CG PHE A 85 -7.469 -1.444 3.100 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -8.325 -1.166 4.169 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.992 -2.754 2.967 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -8.723 -2.117 5.098 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -7.396 -3.723 3.913 1.00 0.00 C ATOM 1325 CZ PHE A 85 -8.247 -3.431 4.970 1.00 0.00 C ATOM 0 H PHE A 85 -5.089 -1.258 3.361 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.382 1.063 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.921 0.198 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.656 -0.860 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.696 -0.158 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.328 -3.019 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.388 -1.850 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.027 -4.733 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.536 -4.196 5.676 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.196 2.663 3.051 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.913 3.691 3.822 1.00 0.00 C ATOM 1337 C ALA A 86 -9.247 3.182 4.350 1.00 0.00 C ATOM 1338 O ALA A 86 -10.273 3.552 3.825 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.095 4.943 2.939 1.00 0.00 C ATOM 0 H ALA A 86 -7.090 2.908 2.067 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.320 3.950 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.626 5.711 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.118 5.322 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.670 4.681 2.051 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.163 2.360 5.365 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.353 1.751 6.015 1.00 0.00 C ATOM 1347 C LYS A 87 -11.040 2.852 6.837 1.00 0.00 C ATOM 1348 O LYS A 87 -10.402 3.743 7.346 1.00 0.00 O ATOM 1349 CB LYS A 87 -9.855 0.599 6.897 1.00 0.00 C ATOM 1350 CG LYS A 87 -9.596 1.185 8.294 1.00 0.00 C ATOM 1351 CD LYS A 87 -8.935 0.130 9.174 1.00 0.00 C ATOM 1352 CE LYS A 87 -9.843 -0.264 10.337 1.00 0.00 C ATOM 1353 NZ LYS A 87 -8.975 -0.661 11.490 1.00 0.00 N ATOM 0 H LYS A 87 -8.277 2.078 5.784 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.073 1.352 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.596 -0.199 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.944 0.164 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.956 2.064 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.534 1.512 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.701 -0.751 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.991 0.514 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.488 0.569 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.494 -1.089 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.572 -0.934 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.377 -1.466 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.371 0.141 11.762 1.00 0.00 H new ATOM 1367 N LYS A 88 -12.328 2.725 6.924 1.00 0.00 N ATOM 1368 CA LYS A 88 -13.127 3.714 7.694 1.00 0.00 C ATOM 1369 C LYS A 88 -13.514 3.142 9.042 1.00 0.00 C ATOM 1370 O LYS A 88 -14.308 2.216 9.031 1.00 0.00 O ATOM 1371 CB LYS A 88 -14.372 4.091 6.863 1.00 0.00 C ATOM 1372 CG LYS A 88 -15.271 4.948 7.752 1.00 0.00 C ATOM 1373 CD LYS A 88 -14.395 6.097 8.272 1.00 0.00 C ATOM 1374 CE LYS A 88 -15.284 7.326 8.394 1.00 0.00 C ATOM 1375 NZ LYS A 88 -15.956 7.312 9.732 1.00 0.00 N ATOM 1376 OXT LYS A 88 -13.014 3.636 10.038 1.00 0.00 O ATOM 0 H LYS A 88 -12.868 1.975 6.493 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.538 4.612 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.083 4.639 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.899 3.196 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.122 5.332 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.674 4.362 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.959 5.841 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.567 6.288 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.690 8.233 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.029 7.332 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.566 8.150 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.534 6.452 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.236 7.325 10.482 1.00 0.00 H new TER 1390 LYS A 88