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 76 THR OG1 : rot 180:sc=-0.00696 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.0937 K(o=-0.1,f=-0.72) USER MOD Set 2.1: A 59 ASN : amide:sc= -1.53 K(o=-5.5,f=-23!) USER MOD Set 2.2: A 62 GLN : amide:sc= -3.94! C(o=-5.5!,f=-14!) USER MOD Set 3.1: A 10 ASN : amide:sc= -2.08 K(o=-5.2,f=-5.7) USER MOD Set 3.2: A 14 HIS : no HD1:sc= -3.12! C(o=-5.2!,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00656 K(o=-0.0066,f=-2.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.017) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.949 K(o=-0.95,f=-0.35) USER MOD Single : A 25 THR OG1 : rot -20:sc= 0.718 USER MOD Single : A 26 ASN : amide:sc= -3.4! C(o=-3.4!,f=-16!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 172:sc= 0 (180deg=-0.0473) USER MOD Single : A 35 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.054) USER MOD Single : A 36 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.043) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-1.5) USER MOD Single : A 71 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 160:sc= -8.85! (180deg=-12.8!) 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+ -99:sc= -0.0293 (180deg=-1.54) USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.163 17.850 -2.289 1.00 0.00 N ATOM 2 CA MET A 1 -18.831 18.480 -2.057 1.00 0.00 C ATOM 3 C MET A 1 -17.845 17.474 -1.468 1.00 0.00 C ATOM 4 O MET A 1 -16.798 17.186 -2.035 1.00 0.00 O ATOM 5 CB MET A 1 -19.037 19.658 -1.091 1.00 0.00 C ATOM 6 CG MET A 1 -18.552 20.933 -1.763 1.00 0.00 C ATOM 7 SD MET A 1 -16.805 21.140 -1.331 1.00 0.00 S ATOM 8 CE MET A 1 -16.412 22.330 -2.630 1.00 0.00 C ATOM 0 H1 MET A 1 -20.815 18.554 -2.690 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.061 17.056 -2.953 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.543 17.500 -1.387 1.00 0.00 H new ATOM 0 HA MET A 1 -18.412 18.826 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.090 19.749 -0.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.488 19.487 -0.165 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.675 20.868 -2.844 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.135 21.790 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.361 22.611 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.604 21.881 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.033 23.218 -2.510 1.00 0.00 H new ATOM 20 N ALA A 2 -18.131 16.910 -0.333 1.00 0.00 N ATOM 21 CA ALA A 2 -17.178 15.928 0.251 1.00 0.00 C ATOM 22 C ALA A 2 -17.934 15.030 1.222 1.00 0.00 C ATOM 23 O ALA A 2 -17.900 15.162 2.425 1.00 0.00 O ATOM 24 CB ALA A 2 -16.087 16.722 0.971 1.00 0.00 C ATOM 0 H ALA A 2 -18.975 17.083 0.213 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.725 15.297 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.367 16.033 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.578 17.370 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.537 17.330 1.756 1.00 0.00 H new ATOM 30 N PRO A 3 -18.644 14.083 0.664 1.00 0.00 N ATOM 31 CA PRO A 3 -19.450 13.107 1.409 1.00 0.00 C ATOM 32 C PRO A 3 -18.636 11.859 1.750 1.00 0.00 C ATOM 33 O PRO A 3 -18.477 11.512 2.891 1.00 0.00 O ATOM 34 CB PRO A 3 -20.597 12.785 0.425 1.00 0.00 C ATOM 35 CG PRO A 3 -20.113 13.309 -0.949 1.00 0.00 C ATOM 36 CD PRO A 3 -18.694 13.916 -0.818 1.00 0.00 C ATOM 0 HA PRO A 3 -19.803 13.483 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -20.796 11.714 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -21.524 13.272 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -20.103 12.495 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -20.806 14.062 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.916 13.251 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.590 14.861 -1.351 1.00 0.00 H new ATOM 44 N ALA A 4 -18.139 11.216 0.716 1.00 0.00 N ATOM 45 CA ALA A 4 -17.333 9.990 0.942 1.00 0.00 C ATOM 46 C ALA A 4 -16.063 10.017 0.097 1.00 0.00 C ATOM 47 O ALA A 4 -15.455 11.058 -0.052 1.00 0.00 O ATOM 48 CB ALA A 4 -18.221 8.773 0.605 1.00 0.00 C ATOM 0 H ALA A 4 -18.259 11.490 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 4 -17.012 9.928 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.655 7.855 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.099 8.773 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -18.537 8.831 -0.436 1.00 0.00 H new ATOM 54 N GLN A 5 -15.626 8.938 -0.463 1.00 0.00 N ATOM 55 CA GLN A 5 -14.396 8.872 -1.304 1.00 0.00 C ATOM 56 C GLN A 5 -14.265 7.472 -1.924 1.00 0.00 C ATOM 57 O GLN A 5 -14.104 7.389 -3.121 1.00 0.00 O ATOM 58 CB GLN A 5 -13.135 9.206 -0.500 1.00 0.00 C ATOM 59 CG GLN A 5 -11.978 8.310 -0.962 1.00 0.00 C ATOM 60 CD GLN A 5 -10.724 8.751 -0.197 1.00 0.00 C ATOM 61 OE1 GLN A 5 -10.673 9.865 0.280 1.00 0.00 O ATOM 62 NE2 GLN A 5 -9.704 7.965 -0.036 1.00 0.00 N ATOM 0 H GLN A 5 -16.098 8.039 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.492 9.619 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.872 10.255 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.320 9.059 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.201 7.262 -0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.825 8.404 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.720 7.023 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.887 8.289 0.481 1.00 0.00 H new ATOM 71 N PRO A 6 -14.332 6.434 -1.131 1.00 0.00 N ATOM 72 CA PRO A 6 -14.225 5.031 -1.536 1.00 0.00 C ATOM 73 C PRO A 6 -15.532 4.626 -2.250 1.00 0.00 C ATOM 74 O PRO A 6 -16.584 5.211 -2.098 1.00 0.00 O ATOM 75 CB PRO A 6 -14.053 4.189 -0.282 1.00 0.00 C ATOM 76 CG PRO A 6 -13.747 5.234 0.837 1.00 0.00 C ATOM 77 CD PRO A 6 -14.527 6.460 0.336 1.00 0.00 C ATOM 0 HA PRO A 6 -13.378 4.882 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.954 3.617 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.239 3.472 -0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.093 4.900 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.680 5.436 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.583 6.396 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.145 7.382 0.773 1.00 0.00 H new ATOM 85 N LEU A 7 -15.492 3.591 -3.062 1.00 0.00 N ATOM 86 CA LEU A 7 -16.754 3.187 -3.762 1.00 0.00 C ATOM 87 C LEU A 7 -17.681 2.547 -2.733 1.00 0.00 C ATOM 88 O LEU A 7 -18.641 3.170 -2.334 1.00 0.00 O ATOM 89 CB LEU A 7 -16.455 2.197 -4.913 1.00 0.00 C ATOM 90 CG LEU A 7 -17.616 2.138 -5.891 1.00 0.00 C ATOM 91 CD1 LEU A 7 -17.563 3.334 -6.838 1.00 0.00 C ATOM 92 CD2 LEU A 7 -17.565 0.821 -6.682 1.00 0.00 C ATOM 0 H LEU A 7 -14.668 3.026 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.229 4.063 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.549 2.503 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.267 1.204 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.554 2.177 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.399 3.283 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.626 4.257 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.625 3.317 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.400 0.784 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.627 0.764 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.632 -0.020 -5.992 1.00 0.00 H new ATOM 104 N SER A 8 -17.443 1.347 -2.293 1.00 0.00 N ATOM 105 CA SER A 8 -18.308 0.653 -1.287 1.00 0.00 C ATOM 106 C SER A 8 -17.486 0.479 0.007 1.00 0.00 C ATOM 107 O SER A 8 -16.498 1.178 0.131 1.00 0.00 O ATOM 108 CB SER A 8 -18.752 -0.677 -1.856 1.00 0.00 C ATOM 109 OG SER A 8 -19.837 -0.499 -2.777 1.00 0.00 O ATOM 0 H SER A 8 -16.647 0.789 -2.602 1.00 0.00 H new ATOM 0 HA SER A 8 -19.203 1.232 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.915 -1.159 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.060 -1.339 -1.047 1.00 0.00 H new ATOM 0 HG SER A 8 -20.108 -1.370 -3.135 1.00 0.00 H new ATOM 115 N GLU A 9 -17.874 -0.394 0.898 1.00 0.00 N ATOM 116 CA GLU A 9 -17.147 -0.635 2.172 1.00 0.00 C ATOM 117 C GLU A 9 -15.686 -0.898 1.783 1.00 0.00 C ATOM 118 O GLU A 9 -14.827 -0.088 2.080 1.00 0.00 O ATOM 119 CB GLU A 9 -17.677 -1.912 2.840 1.00 0.00 C ATOM 120 CG GLU A 9 -18.275 -1.542 4.191 1.00 0.00 C ATOM 121 CD GLU A 9 -17.174 -1.353 5.237 1.00 0.00 C ATOM 122 OE1 GLU A 9 -16.519 -2.326 5.545 1.00 0.00 O ATOM 123 OE2 GLU A 9 -17.037 -0.230 5.686 1.00 0.00 O ATOM 0 H GLU A 9 -18.705 -0.975 0.785 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.265 0.210 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.430 -2.384 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.871 -2.634 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.856 -0.625 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.962 -2.323 4.516 1.00 0.00 H new ATOM 130 N ASN A 10 -15.454 -2.010 1.137 1.00 0.00 N ATOM 131 CA ASN A 10 -14.025 -2.267 0.749 1.00 0.00 C ATOM 132 C ASN A 10 -14.009 -3.433 -0.251 1.00 0.00 C ATOM 133 O ASN A 10 -13.657 -3.151 -1.392 1.00 0.00 O ATOM 134 CB ASN A 10 -13.188 -2.531 1.981 1.00 0.00 C ATOM 135 CG ASN A 10 -11.727 -2.882 1.639 1.00 0.00 C ATOM 136 OD1 ASN A 10 -11.132 -2.240 0.801 1.00 0.00 O ATOM 137 ND2 ASN A 10 -11.113 -3.870 2.241 1.00 0.00 N ATOM 0 H ASN A 10 -16.140 -2.716 0.871 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.582 -1.395 0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.206 -1.651 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.631 -3.349 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.146 -4.091 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.602 -4.419 2.948 1.00 0.00 H new ATOM 144 N PRO A 11 -14.365 -4.612 0.150 1.00 0.00 N ATOM 145 CA PRO A 11 -14.426 -5.838 -0.646 1.00 0.00 C ATOM 146 C PRO A 11 -14.776 -5.503 -2.098 1.00 0.00 C ATOM 147 O PRO A 11 -15.708 -4.730 -2.275 1.00 0.00 O ATOM 148 CB PRO A 11 -15.574 -6.684 -0.059 1.00 0.00 C ATOM 149 CG PRO A 11 -15.834 -6.157 1.363 1.00 0.00 C ATOM 150 CD PRO A 11 -14.797 -5.009 1.492 1.00 0.00 C ATOM 0 HA PRO A 11 -13.469 -6.360 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.471 -6.598 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.304 -7.740 -0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.856 -5.796 1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.680 -6.929 2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.237 -4.159 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.942 -5.337 2.082 1.00 0.00 H new ATOM 158 N PRO A 12 -14.089 -6.020 -3.063 1.00 0.00 N ATOM 159 CA PRO A 12 -12.953 -6.957 -2.920 1.00 0.00 C ATOM 160 C PRO A 12 -11.748 -6.175 -2.411 1.00 0.00 C ATOM 161 O PRO A 12 -11.893 -4.998 -2.103 1.00 0.00 O ATOM 162 CB PRO A 12 -12.639 -7.540 -4.285 1.00 0.00 C ATOM 163 CG PRO A 12 -13.657 -6.791 -5.206 1.00 0.00 C ATOM 164 CD PRO A 12 -14.410 -5.675 -4.477 1.00 0.00 C ATOM 0 HA PRO A 12 -13.195 -7.759 -2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.607 -7.351 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.785 -8.620 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.125 -6.367 -6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.376 -7.508 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.054 -4.683 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.481 -5.696 -4.677 1.00 0.00 H new ATOM 172 N ASN A 13 -10.576 -6.767 -2.311 1.00 0.00 N ATOM 173 CA ASN A 13 -9.453 -5.905 -1.799 1.00 0.00 C ATOM 174 C ASN A 13 -8.971 -4.897 -2.864 1.00 0.00 C ATOM 175 O ASN A 13 -9.630 -4.802 -3.876 1.00 0.00 O ATOM 176 CB ASN A 13 -8.339 -6.702 -1.151 1.00 0.00 C ATOM 177 CG ASN A 13 -8.941 -7.415 0.089 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.319 -8.564 0.059 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.048 -6.754 1.210 1.00 0.00 N ATOM 0 H ASN A 13 -10.355 -7.736 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.860 -5.304 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.930 -7.430 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.519 -6.047 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.443 -7.208 2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.737 -5.784 1.262 1.00 0.00 H new ATOM 186 N HIS A 14 -7.902 -4.213 -2.589 1.00 0.00 N ATOM 187 CA HIS A 14 -7.319 -3.148 -3.429 1.00 0.00 C ATOM 188 C HIS A 14 -6.673 -1.988 -2.597 1.00 0.00 C ATOM 189 O HIS A 14 -6.239 -0.990 -3.138 1.00 0.00 O ATOM 190 CB HIS A 14 -8.382 -2.422 -4.293 1.00 0.00 C ATOM 191 CG HIS A 14 -9.607 -2.069 -3.490 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.478 -1.135 -2.453 1.00 0.00 N ATOM 193 CD2 HIS A 14 -10.923 -2.415 -3.467 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.677 -0.966 -1.871 1.00 0.00 C ATOM 195 NE2 HIS A 14 -11.603 -1.734 -2.455 1.00 0.00 N ATOM 0 H HIS A 14 -7.367 -4.372 -1.735 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.583 -3.685 -4.027 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.950 -1.515 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.667 -3.059 -5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.381 -3.123 -4.142 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.867 -0.299 -1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.591 -1.807 -2.214 1.00 0.00 H new ATOM 204 N ILE A 15 -6.601 -2.082 -1.286 1.00 0.00 N ATOM 205 CA ILE A 15 -6.050 -1.068 -0.356 1.00 0.00 C ATOM 206 C ILE A 15 -5.192 -1.908 0.623 1.00 0.00 C ATOM 207 O ILE A 15 -5.757 -2.792 1.183 1.00 0.00 O ATOM 208 CB ILE A 15 -7.110 -0.339 0.505 1.00 0.00 C ATOM 209 CG1 ILE A 15 -7.267 1.081 -0.069 1.00 0.00 C ATOM 210 CG2 ILE A 15 -6.706 -0.289 1.962 1.00 0.00 C ATOM 211 CD1 ILE A 15 -8.509 1.775 0.484 1.00 0.00 C ATOM 0 H ILE A 15 -6.940 -2.908 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.536 -0.296 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.056 -0.878 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.382 1.671 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.331 1.030 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.474 0.230 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.593 -1.304 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.760 0.243 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.588 2.775 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.396 1.198 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.432 1.849 1.569 1.00 0.00 H new ATOM 223 N LEU A 16 -3.943 -1.587 0.677 1.00 0.00 N ATOM 224 CA LEU A 16 -2.972 -2.326 1.560 1.00 0.00 C ATOM 225 C LEU A 16 -2.276 -1.311 2.507 1.00 0.00 C ATOM 226 O LEU A 16 -1.548 -0.424 2.123 1.00 0.00 O ATOM 227 CB LEU A 16 -1.955 -3.043 0.693 1.00 0.00 C ATOM 228 CG LEU A 16 -2.568 -3.682 -0.572 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.576 -3.550 -1.736 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.902 -5.155 -0.326 1.00 0.00 C ATOM 0 H LEU A 16 -3.527 -0.827 0.139 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.495 -3.067 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.180 -2.336 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.468 -3.819 1.284 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.494 -3.163 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.004 -4.000 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.371 -2.496 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.647 -4.061 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.333 -5.586 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.992 -5.695 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.619 -5.234 0.491 1.00 0.00 H new ATOM 242 N PHE A 17 -2.623 -1.515 3.784 1.00 0.00 N ATOM 243 CA PHE A 17 -2.247 -0.694 4.921 1.00 0.00 C ATOM 244 C PHE A 17 -1.397 -1.590 5.849 1.00 0.00 C ATOM 245 O PHE A 17 -1.800 -2.677 6.088 1.00 0.00 O ATOM 246 CB PHE A 17 -3.354 -0.097 5.746 1.00 0.00 C ATOM 247 CG PHE A 17 -2.673 0.190 7.103 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.684 1.207 7.151 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.997 -0.517 8.264 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.006 1.528 8.343 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.322 -0.196 9.443 1.00 0.00 C ATOM 252 CZ PHE A 17 -1.344 0.805 9.485 1.00 0.00 C ATOM 0 H PHE A 17 -3.207 -2.305 4.057 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.734 0.170 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.747 0.813 5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.191 -0.786 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.445 1.750 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.750 -1.291 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.255 2.303 8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.561 -0.735 10.348 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.844 1.020 10.418 1.00 0.00 H new ATOM 262 N LEU A 18 -0.285 -1.058 6.187 1.00 0.00 N ATOM 263 CA LEU A 18 0.589 -1.753 7.101 1.00 0.00 C ATOM 264 C LEU A 18 1.791 -0.870 7.227 1.00 0.00 C ATOM 265 O LEU A 18 1.805 0.243 6.725 1.00 0.00 O ATOM 266 CB LEU A 18 0.776 -3.241 6.995 1.00 0.00 C ATOM 267 CG LEU A 18 -0.207 -3.971 7.953 1.00 0.00 C ATOM 268 CD1 LEU A 18 0.133 -5.443 7.861 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.075 -3.564 9.418 1.00 0.00 C ATOM 0 H LEU A 18 0.055 -0.154 5.859 1.00 0.00 H new ATOM 0 HA LEU A 18 0.090 -1.880 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.604 -3.565 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.804 -3.505 7.245 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.237 -3.733 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.528 -6.011 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.005 -5.783 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.168 -5.597 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.620 -4.082 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.097 -3.836 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.054 -2.487 9.528 1.00 0.00 H new ATOM 281 N THR A 19 2.687 -1.282 7.966 1.00 0.00 N ATOM 282 CA THR A 19 3.846 -0.500 8.278 1.00 0.00 C ATOM 283 C THR A 19 5.001 -1.497 8.336 1.00 0.00 C ATOM 284 O THR A 19 4.874 -2.692 8.102 1.00 0.00 O ATOM 285 CB THR A 19 3.669 0.011 9.733 1.00 0.00 C ATOM 286 OG1 THR A 19 3.532 -1.177 10.530 1.00 0.00 O ATOM 287 CG2 THR A 19 2.392 0.808 9.904 1.00 0.00 C ATOM 0 H THR A 19 2.675 -2.201 8.409 1.00 0.00 H new ATOM 0 HA THR A 19 4.002 0.313 7.569 1.00 0.00 H new ATOM 0 HB THR A 19 4.507 0.651 10.007 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.417 -0.928 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.309 1.146 10.937 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.411 1.672 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.536 0.180 9.658 1.00 0.00 H new ATOM 295 N ASN A 20 6.061 -0.960 8.598 1.00 0.00 N ATOM 296 CA ASN A 20 7.388 -1.655 8.776 1.00 0.00 C ATOM 297 C ASN A 20 8.386 -1.169 7.709 1.00 0.00 C ATOM 298 O ASN A 20 9.213 -1.892 7.215 1.00 0.00 O ATOM 299 CB ASN A 20 7.290 -3.156 8.877 1.00 0.00 C ATOM 300 CG ASN A 20 8.532 -3.653 9.655 1.00 0.00 C ATOM 301 OD1 ASN A 20 8.688 -3.322 10.816 1.00 0.00 O ATOM 302 ND2 ASN A 20 9.399 -4.418 9.076 1.00 0.00 N ATOM 0 H ASN A 20 6.133 0.050 8.723 1.00 0.00 H new ATOM 0 HA ASN A 20 7.777 -1.367 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.374 -3.446 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.254 -3.605 7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.216 -4.745 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.266 -4.694 8.103 1.00 0.00 H new ATOM 309 N LEU A 21 8.292 0.076 7.374 1.00 0.00 N ATOM 310 CA LEU A 21 9.224 0.609 6.341 1.00 0.00 C ATOM 311 C LEU A 21 10.306 1.400 7.111 1.00 0.00 C ATOM 312 O LEU A 21 10.011 1.878 8.186 1.00 0.00 O ATOM 313 CB LEU A 21 8.465 1.511 5.381 1.00 0.00 C ATOM 314 CG LEU A 21 7.123 0.960 4.943 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.977 -0.542 5.157 1.00 0.00 C ATOM 316 CD2 LEU A 21 5.953 1.657 5.672 1.00 0.00 C ATOM 0 H LEU A 21 7.625 0.745 7.759 1.00 0.00 H new ATOM 0 HA LEU A 21 9.675 -0.185 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.310 2.480 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.080 1.683 4.498 1.00 0.00 H new ATOM 0 HG LEU A 21 7.085 1.163 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.991 -0.863 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.744 -1.067 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.091 -0.771 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.008 1.234 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.052 1.505 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.973 2.725 5.454 1.00 0.00 H new ATOM 328 N PRO A 22 11.481 1.517 6.572 1.00 0.00 N ATOM 329 CA PRO A 22 12.575 2.259 7.243 1.00 0.00 C ATOM 330 C PRO A 22 12.338 3.756 7.291 1.00 0.00 C ATOM 331 O PRO A 22 11.324 4.327 6.976 1.00 0.00 O ATOM 332 CB PRO A 22 13.790 1.920 6.373 1.00 0.00 C ATOM 333 CG PRO A 22 13.338 1.322 5.005 1.00 0.00 C ATOM 334 CD PRO A 22 11.863 0.941 5.254 1.00 0.00 C ATOM 0 HA PRO A 22 12.682 1.978 8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.385 2.818 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 22 14.429 1.207 6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.435 2.047 4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.936 0.454 4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.225 1.333 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.740 -0.142 5.256 1.00 0.00 H new ATOM 342 N GLU A 23 13.353 4.478 7.723 1.00 0.00 N ATOM 343 CA GLU A 23 13.296 5.958 7.839 1.00 0.00 C ATOM 344 C GLU A 23 13.987 6.524 6.595 1.00 0.00 C ATOM 345 O GLU A 23 13.797 7.643 6.189 1.00 0.00 O ATOM 346 CB GLU A 23 14.003 6.461 9.092 1.00 0.00 C ATOM 347 CG GLU A 23 13.227 5.930 10.293 1.00 0.00 C ATOM 348 CD GLU A 23 14.183 5.769 11.472 1.00 0.00 C ATOM 349 OE1 GLU A 23 14.963 4.835 11.457 1.00 0.00 O ATOM 350 OE2 GLU A 23 14.075 6.617 12.343 1.00 0.00 O ATOM 0 H GLU A 23 14.246 4.076 8.007 1.00 0.00 H new ATOM 0 HA GLU A 23 12.258 6.281 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.036 6.113 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.034 7.550 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.421 6.616 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.765 4.973 10.050 1.00 0.00 H new ATOM 357 N GLU A 24 14.807 5.703 5.992 1.00 0.00 N ATOM 358 CA GLU A 24 15.537 6.141 4.763 1.00 0.00 C ATOM 359 C GLU A 24 14.580 5.921 3.578 1.00 0.00 C ATOM 360 O GLU A 24 14.890 6.273 2.452 1.00 0.00 O ATOM 361 CB GLU A 24 16.796 5.326 4.526 1.00 0.00 C ATOM 362 CG GLU A 24 17.390 4.871 5.869 1.00 0.00 C ATOM 363 CD GLU A 24 18.867 4.484 5.719 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.556 5.018 4.872 1.00 0.00 O ATOM 365 OE2 GLU A 24 19.261 3.623 6.499 1.00 0.00 O ATOM 0 H GLU A 24 15.003 4.749 6.296 1.00 0.00 H new ATOM 0 HA GLU A 24 15.838 7.183 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.566 4.458 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.527 5.922 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.294 5.672 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.825 4.020 6.250 1.00 0.00 H new ATOM 372 N THR A 25 13.445 5.345 3.868 1.00 0.00 N ATOM 373 CA THR A 25 12.402 5.053 2.855 1.00 0.00 C ATOM 374 C THR A 25 11.652 6.365 2.590 1.00 0.00 C ATOM 375 O THR A 25 11.813 7.271 3.400 1.00 0.00 O ATOM 376 CB THR A 25 11.459 3.994 3.466 1.00 0.00 C ATOM 377 OG1 THR A 25 11.139 3.000 2.520 1.00 0.00 O ATOM 378 CG2 THR A 25 10.194 4.678 4.042 1.00 0.00 C ATOM 0 H THR A 25 13.192 5.054 4.812 1.00 0.00 H new ATOM 0 HA THR A 25 12.812 4.675 1.918 1.00 0.00 H new ATOM 0 HB THR A 25 11.971 3.495 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.309 3.341 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.535 3.923 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.485 5.388 4.817 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.671 5.206 3.245 1.00 0.00 H new ATOM 386 N ASN A 26 10.881 6.478 1.541 1.00 0.00 N ATOM 387 CA ASN A 26 10.195 7.807 1.386 1.00 0.00 C ATOM 388 C ASN A 26 8.920 7.726 0.561 1.00 0.00 C ATOM 389 O ASN A 26 8.620 6.839 -0.211 1.00 0.00 O ATOM 390 CB ASN A 26 11.195 8.865 0.866 1.00 0.00 C ATOM 391 CG ASN A 26 11.277 8.894 -0.646 1.00 0.00 C ATOM 392 OD1 ASN A 26 10.335 9.225 -1.341 1.00 0.00 O ATOM 393 ND2 ASN A 26 12.386 8.559 -1.272 1.00 0.00 N ATOM 0 H ASN A 26 10.700 5.770 0.829 1.00 0.00 H new ATOM 0 HA ASN A 26 9.859 8.128 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.899 9.849 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.183 8.658 1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.424 8.585 -2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.207 8.273 -0.738 1.00 0.00 H new ATOM 400 N GLU A 27 8.048 8.712 0.683 1.00 0.00 N ATOM 401 CA GLU A 27 6.762 8.798 -0.032 1.00 0.00 C ATOM 402 C GLU A 27 6.881 8.694 -1.576 1.00 0.00 C ATOM 403 O GLU A 27 6.035 8.064 -2.126 1.00 0.00 O ATOM 404 CB GLU A 27 6.080 10.171 0.159 1.00 0.00 C ATOM 405 CG GLU A 27 4.908 10.318 -0.837 1.00 0.00 C ATOM 406 CD GLU A 27 4.203 11.647 -0.567 1.00 0.00 C ATOM 407 OE1 GLU A 27 4.081 12.070 0.561 1.00 0.00 O ATOM 408 OE2 GLU A 27 3.783 12.235 -1.549 1.00 0.00 O ATOM 0 H GLU A 27 8.210 9.507 1.301 1.00 0.00 H new ATOM 0 HA GLU A 27 6.206 7.962 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.714 10.266 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.804 10.971 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.277 10.287 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.209 9.489 -0.724 1.00 0.00 H new ATOM 415 N LEU A 28 7.877 9.318 -2.114 1.00 0.00 N ATOM 416 CA LEU A 28 8.157 9.352 -3.596 1.00 0.00 C ATOM 417 C LEU A 28 8.780 8.000 -3.987 1.00 0.00 C ATOM 418 O LEU A 28 8.736 7.535 -5.112 1.00 0.00 O ATOM 419 CB LEU A 28 9.116 10.489 -3.965 1.00 0.00 C ATOM 420 CG LEU A 28 9.478 10.462 -5.462 1.00 0.00 C ATOM 421 CD1 LEU A 28 8.323 10.931 -6.340 1.00 0.00 C ATOM 422 CD2 LEU A 28 10.666 11.410 -5.729 1.00 0.00 C ATOM 0 H LEU A 28 8.558 9.842 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 28 7.225 9.527 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.658 11.447 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.025 10.407 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 28 9.723 9.429 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.624 10.895 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.462 10.280 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.056 11.954 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.918 11.387 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.393 12.426 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.527 11.088 -5.144 1.00 0.00 H new ATOM 434 N MET A 29 9.373 7.361 -2.996 1.00 0.00 N ATOM 435 CA MET A 29 10.030 6.020 -3.212 1.00 0.00 C ATOM 436 C MET A 29 8.914 5.017 -3.438 1.00 0.00 C ATOM 437 O MET A 29 8.759 4.324 -4.449 1.00 0.00 O ATOM 438 CB MET A 29 10.772 5.703 -1.900 1.00 0.00 C ATOM 439 CG MET A 29 11.829 4.639 -2.093 1.00 0.00 C ATOM 440 SD MET A 29 11.680 3.457 -0.707 1.00 0.00 S ATOM 441 CE MET A 29 12.702 2.165 -1.454 1.00 0.00 C ATOM 0 H MET A 29 9.430 7.713 -2.040 1.00 0.00 H new ATOM 0 HA MET A 29 10.718 5.998 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 29 11.237 6.612 -1.517 1.00 0.00 H new ATOM 0 HB3 MET A 29 10.055 5.371 -1.149 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.691 4.130 -3.047 1.00 0.00 H new ATOM 0 HG3 MET A 29 12.823 5.085 -2.111 1.00 0.00 H new ATOM 0 HE1 MET A 29 12.763 1.313 -0.777 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.256 1.848 -2.397 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.703 2.554 -1.639 1.00 0.00 H new ATOM 451 N LEU A 30 8.061 4.962 -2.438 1.00 0.00 N ATOM 452 CA LEU A 30 6.874 4.071 -2.458 1.00 0.00 C ATOM 453 C LEU A 30 5.938 4.701 -3.492 1.00 0.00 C ATOM 454 O LEU A 30 5.132 4.038 -4.073 1.00 0.00 O ATOM 455 CB LEU A 30 6.273 3.968 -1.067 1.00 0.00 C ATOM 456 CG LEU A 30 7.155 3.102 -0.130 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.240 2.362 0.857 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.089 2.170 -0.876 1.00 0.00 C ATOM 0 H LEU A 30 8.150 5.519 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 30 7.100 3.041 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.161 4.966 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.275 3.535 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 30 7.825 3.760 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.845 1.748 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.676 3.087 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.549 1.725 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.676 1.594 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.505 1.490 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.758 2.754 -1.508 1.00 0.00 H new ATOM 470 N SER A 31 6.022 5.973 -3.767 1.00 0.00 N ATOM 471 CA SER A 31 5.165 6.660 -4.782 1.00 0.00 C ATOM 472 C SER A 31 5.380 6.022 -6.156 1.00 0.00 C ATOM 473 O SER A 31 4.479 5.594 -6.822 1.00 0.00 O ATOM 474 CB SER A 31 5.547 8.137 -4.956 1.00 0.00 C ATOM 475 OG SER A 31 4.775 8.646 -6.053 1.00 0.00 O ATOM 0 H SER A 31 6.684 6.597 -3.306 1.00 0.00 H new ATOM 0 HA SER A 31 4.138 6.569 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.339 8.699 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.614 8.238 -5.156 1.00 0.00 H new ATOM 0 HG SER A 31 4.991 9.591 -6.194 1.00 0.00 H new ATOM 481 N MET A 32 6.646 5.993 -6.512 1.00 0.00 N ATOM 482 CA MET A 32 7.106 5.416 -7.797 1.00 0.00 C ATOM 483 C MET A 32 6.985 3.885 -7.760 1.00 0.00 C ATOM 484 O MET A 32 6.666 3.209 -8.735 1.00 0.00 O ATOM 485 CB MET A 32 8.604 5.723 -8.018 1.00 0.00 C ATOM 486 CG MET A 32 8.864 7.215 -8.113 1.00 0.00 C ATOM 487 SD MET A 32 9.537 7.547 -9.763 1.00 0.00 S ATOM 488 CE MET A 32 8.041 7.264 -10.748 1.00 0.00 C ATOM 0 H MET A 32 7.400 6.363 -5.933 1.00 0.00 H new ATOM 0 HA MET A 32 6.493 5.848 -8.588 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.186 5.304 -7.197 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.944 5.236 -8.932 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.943 7.776 -7.955 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.566 7.532 -7.342 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.224 7.560 -11.781 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.778 6.207 -10.714 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.220 7.855 -10.341 1.00 0.00 H new ATOM 498 N LEU A 33 7.211 3.230 -6.635 1.00 0.00 N ATOM 499 CA LEU A 33 7.123 1.733 -6.551 1.00 0.00 C ATOM 500 C LEU A 33 5.634 1.381 -6.654 1.00 0.00 C ATOM 501 O LEU A 33 5.200 0.375 -7.167 1.00 0.00 O ATOM 502 CB LEU A 33 7.579 1.284 -5.140 1.00 0.00 C ATOM 503 CG LEU A 33 9.045 0.896 -5.093 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.510 0.928 -3.629 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.299 -0.489 -5.702 1.00 0.00 C ATOM 0 H LEU A 33 7.458 3.684 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 33 7.730 1.264 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.398 2.092 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.973 0.437 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 33 9.612 1.609 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.563 0.651 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.378 1.933 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.919 0.223 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.362 -0.722 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.733 -1.239 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.982 -0.492 -6.745 1.00 0.00 H new ATOM 517 N PHE A 34 4.872 2.305 -6.119 1.00 0.00 N ATOM 518 CA PHE A 34 3.372 2.107 -6.164 1.00 0.00 C ATOM 519 C PHE A 34 2.914 2.518 -7.561 1.00 0.00 C ATOM 520 O PHE A 34 1.937 2.054 -8.089 1.00 0.00 O ATOM 521 CB PHE A 34 2.675 2.843 -5.043 1.00 0.00 C ATOM 522 CG PHE A 34 2.902 2.055 -3.760 1.00 0.00 C ATOM 523 CD1 PHE A 34 2.625 0.698 -3.791 1.00 0.00 C ATOM 524 CD2 PHE A 34 3.368 2.615 -2.582 1.00 0.00 C ATOM 525 CE1 PHE A 34 2.806 -0.114 -2.680 1.00 0.00 C ATOM 526 CE2 PHE A 34 3.569 1.815 -1.433 1.00 0.00 C ATOM 527 CZ PHE A 34 3.280 0.460 -1.508 1.00 0.00 C ATOM 0 H PHE A 34 5.198 3.159 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 34 3.102 1.065 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.070 3.854 -4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.609 2.936 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.257 0.259 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.580 3.673 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.583 -1.170 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.940 2.250 -0.516 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.427 -0.161 -0.637 1.00 0.00 H new ATOM 537 N ASN A 35 3.692 3.407 -8.134 1.00 0.00 N ATOM 538 CA ASN A 35 3.459 3.935 -9.491 1.00 0.00 C ATOM 539 C ASN A 35 3.599 2.772 -10.498 1.00 0.00 C ATOM 540 O ASN A 35 2.811 2.718 -11.404 1.00 0.00 O ATOM 541 CB ASN A 35 4.500 4.988 -9.890 1.00 0.00 C ATOM 542 CG ASN A 35 4.000 5.861 -11.061 1.00 0.00 C ATOM 543 OD1 ASN A 35 3.847 7.061 -10.932 1.00 0.00 O ATOM 544 ND2 ASN A 35 3.743 5.278 -12.187 1.00 0.00 N ATOM 0 H ASN A 35 4.517 3.798 -7.680 1.00 0.00 H new ATOM 0 HA ASN A 35 2.468 4.388 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.725 5.622 -9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.429 4.494 -10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.408 5.825 -12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.876 4.271 -12.282 1.00 0.00 H new ATOM 551 N GLN A 36 4.569 1.959 -10.248 1.00 0.00 N ATOM 552 CA GLN A 36 4.855 0.756 -11.062 1.00 0.00 C ATOM 553 C GLN A 36 3.582 0.187 -11.741 1.00 0.00 C ATOM 554 O GLN A 36 3.549 -0.217 -12.870 1.00 0.00 O ATOM 555 CB GLN A 36 5.303 -0.336 -10.067 1.00 0.00 C ATOM 556 CG GLN A 36 6.713 -0.057 -9.596 1.00 0.00 C ATOM 557 CD GLN A 36 7.699 -0.308 -10.744 1.00 0.00 C ATOM 558 OE1 GLN A 36 8.197 0.644 -11.288 1.00 0.00 O ATOM 559 NE2 GLN A 36 7.957 -1.535 -11.082 1.00 0.00 N ATOM 0 H GLN A 36 5.213 2.086 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 36 5.586 1.020 -11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.624 -0.364 -9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.257 -1.315 -10.543 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.795 0.974 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.957 -0.696 -8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.507 -2.306 -10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.610 -1.728 -11.842 1.00 0.00 H new ATOM 568 N PHE A 37 2.536 0.213 -10.928 1.00 0.00 N ATOM 569 CA PHE A 37 1.147 -0.259 -11.285 1.00 0.00 C ATOM 570 C PHE A 37 0.217 0.822 -11.850 1.00 0.00 C ATOM 571 O PHE A 37 0.096 1.925 -11.329 1.00 0.00 O ATOM 572 CB PHE A 37 0.564 -0.952 -10.014 1.00 0.00 C ATOM 573 CG PHE A 37 1.477 -2.152 -9.759 1.00 0.00 C ATOM 574 CD1 PHE A 37 1.341 -3.323 -10.496 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.462 -2.084 -8.783 1.00 0.00 C ATOM 576 CE1 PHE A 37 2.186 -4.399 -10.250 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.310 -3.165 -8.535 1.00 0.00 C ATOM 578 CZ PHE A 37 3.175 -4.332 -9.273 1.00 0.00 C ATOM 0 H PHE A 37 2.599 0.566 -9.973 1.00 0.00 H new ATOM 0 HA PHE A 37 1.220 -0.959 -12.118 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.559 -0.272 -9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.467 -1.268 -10.175 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.580 -3.397 -11.259 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.574 -1.179 -8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.073 -5.304 -10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.069 -3.093 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.826 -5.174 -9.092 1.00 0.00 H new ATOM 588 N PRO A 38 -0.451 0.485 -12.947 1.00 0.00 N ATOM 589 CA PRO A 38 -1.385 1.417 -13.612 1.00 0.00 C ATOM 590 C PRO A 38 -2.538 1.755 -12.628 1.00 0.00 C ATOM 591 O PRO A 38 -3.229 2.750 -12.728 1.00 0.00 O ATOM 592 CB PRO A 38 -2.024 0.605 -14.734 1.00 0.00 C ATOM 593 CG PRO A 38 -1.659 -0.878 -14.508 1.00 0.00 C ATOM 594 CD PRO A 38 -0.382 -0.807 -13.654 1.00 0.00 C ATOM 0 HA PRO A 38 -0.878 2.323 -13.945 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.106 0.737 -14.733 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.663 0.944 -15.705 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.457 -1.414 -13.994 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.483 -1.396 -15.451 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.334 -1.638 -12.950 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.510 -0.866 -14.277 1.00 0.00 H new ATOM 602 N GLY A 39 -2.713 0.874 -11.676 1.00 0.00 N ATOM 603 CA GLY A 39 -3.765 1.002 -10.618 1.00 0.00 C ATOM 604 C GLY A 39 -3.309 1.943 -9.486 1.00 0.00 C ATOM 605 O GLY A 39 -4.068 2.132 -8.565 1.00 0.00 O ATOM 0 H GLY A 39 -2.143 0.033 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.685 1.382 -11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.992 0.018 -10.207 1.00 0.00 H new ATOM 609 N PHE A 40 -2.134 2.459 -9.614 1.00 0.00 N ATOM 610 CA PHE A 40 -1.514 3.393 -8.634 1.00 0.00 C ATOM 611 C PHE A 40 -2.569 4.454 -8.325 1.00 0.00 C ATOM 612 O PHE A 40 -2.795 5.282 -9.168 1.00 0.00 O ATOM 613 CB PHE A 40 -0.311 4.066 -9.298 1.00 0.00 C ATOM 614 CG PHE A 40 0.185 5.273 -8.540 1.00 0.00 C ATOM 615 CD1 PHE A 40 0.729 5.085 -7.273 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.116 6.559 -9.063 1.00 0.00 C ATOM 617 CE1 PHE A 40 1.193 6.190 -6.561 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.582 7.678 -8.345 1.00 0.00 C ATOM 619 CZ PHE A 40 1.134 7.497 -7.070 1.00 0.00 C ATOM 0 H PHE A 40 -1.532 2.260 -10.413 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.188 2.878 -7.730 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.499 3.342 -9.387 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.583 4.366 -10.310 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.791 4.095 -6.846 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.306 6.704 -10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.615 6.034 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.514 8.667 -8.774 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.502 8.336 -6.498 1.00 0.00 H new ATOM 629 N LYS A 41 -3.184 4.422 -7.169 1.00 0.00 N ATOM 630 CA LYS A 41 -4.211 5.427 -6.845 1.00 0.00 C ATOM 631 C LYS A 41 -3.877 6.318 -5.641 1.00 0.00 C ATOM 632 O LYS A 41 -3.800 7.516 -5.778 1.00 0.00 O ATOM 633 CB LYS A 41 -5.542 4.738 -6.475 1.00 0.00 C ATOM 634 CG LYS A 41 -6.747 5.514 -6.998 1.00 0.00 C ATOM 635 CD LYS A 41 -6.965 6.664 -5.996 1.00 0.00 C ATOM 636 CE LYS A 41 -8.386 7.168 -6.179 1.00 0.00 C ATOM 637 NZ LYS A 41 -8.383 8.657 -6.241 1.00 0.00 N ATOM 0 H LYS A 41 -3.009 3.733 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.270 6.040 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.555 3.728 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.613 4.643 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.561 5.898 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.628 4.875 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.810 6.317 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.248 7.466 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.814 6.757 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.012 6.829 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.356 9.001 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.991 9.040 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.799 8.970 -7.043 1.00 0.00 H new ATOM 651 N GLU A 42 -3.686 5.739 -4.491 1.00 0.00 N ATOM 652 CA GLU A 42 -3.368 6.498 -3.260 1.00 0.00 C ATOM 653 C GLU A 42 -2.125 5.846 -2.631 1.00 0.00 C ATOM 654 O GLU A 42 -1.938 4.654 -2.663 1.00 0.00 O ATOM 655 CB GLU A 42 -4.557 6.551 -2.315 1.00 0.00 C ATOM 656 CG GLU A 42 -4.641 7.956 -1.687 1.00 0.00 C ATOM 657 CD GLU A 42 -5.413 8.888 -2.613 1.00 0.00 C ATOM 658 OE1 GLU A 42 -4.839 9.491 -3.490 1.00 0.00 O ATOM 659 OE2 GLU A 42 -6.624 9.003 -2.433 1.00 0.00 O ATOM 0 H GLU A 42 -3.741 4.730 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.149 7.541 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.477 6.325 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.451 5.797 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.134 7.902 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.639 8.348 -1.514 1.00 0.00 H new ATOM 666 N VAL A 43 -1.300 6.679 -2.073 1.00 0.00 N ATOM 667 CA VAL A 43 -0.034 6.314 -1.430 1.00 0.00 C ATOM 668 C VAL A 43 0.197 7.308 -0.282 1.00 0.00 C ATOM 669 O VAL A 43 0.307 8.486 -0.500 1.00 0.00 O ATOM 670 CB VAL A 43 1.103 6.366 -2.444 1.00 0.00 C ATOM 671 CG1 VAL A 43 0.918 5.173 -3.395 1.00 0.00 C ATOM 672 CG2 VAL A 43 1.002 7.624 -3.289 1.00 0.00 C ATOM 0 H VAL A 43 -1.482 7.682 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.070 5.297 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 43 2.059 6.348 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.715 5.174 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.955 4.244 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.047 5.253 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.821 7.646 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.051 7.629 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.061 8.501 -2.644 1.00 0.00 H new ATOM 682 N ARG A 44 0.217 6.734 0.867 1.00 0.00 N ATOM 683 CA ARG A 44 0.355 7.554 2.112 1.00 0.00 C ATOM 684 C ARG A 44 1.514 6.950 2.928 1.00 0.00 C ATOM 685 O ARG A 44 1.325 5.969 3.596 1.00 0.00 O ATOM 686 CB ARG A 44 -0.911 7.558 2.949 1.00 0.00 C ATOM 687 CG ARG A 44 -1.069 8.953 3.582 1.00 0.00 C ATOM 688 CD ARG A 44 -1.969 8.878 4.828 1.00 0.00 C ATOM 689 NE ARG A 44 -1.428 7.877 5.804 1.00 0.00 N ATOM 690 CZ ARG A 44 -1.863 7.827 7.044 1.00 0.00 C ATOM 691 NH1 ARG A 44 -1.818 8.901 7.762 1.00 0.00 N ATOM 692 NH2 ARG A 44 -2.330 6.709 7.525 1.00 0.00 N ATOM 0 H ARG A 44 0.144 5.728 1.016 1.00 0.00 H new ATOM 0 HA ARG A 44 0.548 8.591 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.776 7.322 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.856 6.794 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.091 9.348 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.499 9.642 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.030 9.859 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.982 8.600 4.537 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.708 7.221 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.450 9.765 7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.150 8.884 8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.358 5.874 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.668 6.669 8.487 1.00 0.00 H new ATOM 706 N LEU A 45 2.616 7.599 2.780 1.00 0.00 N ATOM 707 CA LEU A 45 3.856 7.197 3.527 1.00 0.00 C ATOM 708 C LEU A 45 4.846 8.365 3.428 1.00 0.00 C ATOM 709 O LEU A 45 5.618 8.419 2.509 1.00 0.00 O ATOM 710 CB LEU A 45 4.409 5.865 3.038 1.00 0.00 C ATOM 711 CG LEU A 45 5.938 5.768 3.071 1.00 0.00 C ATOM 712 CD1 LEU A 45 6.308 4.407 3.642 1.00 0.00 C ATOM 713 CD2 LEU A 45 6.380 5.808 1.590 1.00 0.00 C ATOM 0 H LEU A 45 2.730 8.406 2.167 1.00 0.00 H new ATOM 0 HA LEU A 45 3.638 7.013 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.992 5.065 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.068 5.696 2.017 1.00 0.00 H new ATOM 0 HG LEU A 45 6.398 6.558 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.393 4.310 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.902 4.313 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.894 3.622 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.467 5.743 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.937 4.968 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.048 6.742 1.136 1.00 0.00 H new ATOM 725 N VAL A 46 4.809 9.303 4.368 1.00 0.00 N ATOM 726 CA VAL A 46 5.717 10.443 4.226 1.00 0.00 C ATOM 727 C VAL A 46 5.996 11.264 5.477 1.00 0.00 C ATOM 728 O VAL A 46 7.054 11.886 5.503 1.00 0.00 O ATOM 729 CB VAL A 46 5.039 11.406 3.194 1.00 0.00 C ATOM 730 CG1 VAL A 46 3.957 12.304 3.852 1.00 0.00 C ATOM 731 CG2 VAL A 46 6.139 12.286 2.638 1.00 0.00 C ATOM 0 H VAL A 46 4.203 9.307 5.188 1.00 0.00 H new ATOM 0 HA VAL A 46 6.682 10.026 3.938 1.00 0.00 H new ATOM 0 HB VAL A 46 4.541 10.819 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.515 12.954 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.180 11.677 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.414 12.912 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.717 12.979 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.600 12.848 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.892 11.665 2.153 1.00 0.00 H new ATOM 741 N PRO A 47 5.135 11.327 6.436 1.00 0.00 N ATOM 742 CA PRO A 47 5.387 12.197 7.611 1.00 0.00 C ATOM 743 C PRO A 47 6.597 11.794 8.425 1.00 0.00 C ATOM 744 O PRO A 47 7.398 11.022 7.976 1.00 0.00 O ATOM 745 CB PRO A 47 4.121 12.279 8.484 1.00 0.00 C ATOM 746 CG PRO A 47 3.099 11.364 7.792 1.00 0.00 C ATOM 747 CD PRO A 47 3.843 10.692 6.618 1.00 0.00 C ATOM 0 HA PRO A 47 5.625 13.188 7.223 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.322 11.947 9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.753 13.303 8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.713 10.617 8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.244 11.937 7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.974 9.628 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.253 10.775 5.705 1.00 0.00 H new ATOM 755 N GLY A 48 6.671 12.341 9.623 1.00 0.00 N ATOM 756 CA GLY A 48 7.815 12.033 10.550 1.00 0.00 C ATOM 757 C GLY A 48 7.879 10.487 10.597 1.00 0.00 C ATOM 758 O GLY A 48 8.900 9.866 10.796 1.00 0.00 O ATOM 0 H GLY A 48 5.982 12.992 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.749 12.457 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.645 12.452 11.542 1.00 0.00 H new ATOM 762 N ARG A 49 6.709 9.919 10.382 1.00 0.00 N ATOM 763 CA ARG A 49 6.553 8.459 10.335 1.00 0.00 C ATOM 764 C ARG A 49 7.502 7.884 9.253 1.00 0.00 C ATOM 765 O ARG A 49 8.606 7.482 9.548 1.00 0.00 O ATOM 766 CB ARG A 49 5.102 8.153 9.887 1.00 0.00 C ATOM 767 CG ARG A 49 4.159 8.355 11.057 1.00 0.00 C ATOM 768 CD ARG A 49 4.076 6.995 11.789 1.00 0.00 C ATOM 769 NE ARG A 49 5.100 7.020 12.850 1.00 0.00 N ATOM 770 CZ ARG A 49 4.756 7.316 14.076 1.00 0.00 C ATOM 771 NH1 ARG A 49 3.780 6.644 14.625 1.00 0.00 N ATOM 772 NH2 ARG A 49 5.390 8.265 14.700 1.00 0.00 N ATOM 0 H ARG A 49 5.844 10.439 10.235 1.00 0.00 H new ATOM 0 HA ARG A 49 6.776 8.025 11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.819 8.806 9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.031 7.129 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.529 9.134 11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.175 8.672 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.083 6.844 12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.256 6.172 11.097 1.00 0.00 H new ATOM 0 HE ARG A 49 6.073 6.807 12.628 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.307 5.909 14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.491 6.854 15.580 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.145 8.767 14.232 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.132 8.507 15.657 1.00 0.00 H new ATOM 786 N HIS A 50 7.031 7.834 8.032 1.00 0.00 N ATOM 787 CA HIS A 50 7.743 7.227 6.823 1.00 0.00 C ATOM 788 C HIS A 50 7.800 5.700 7.142 1.00 0.00 C ATOM 789 O HIS A 50 8.581 4.969 6.600 1.00 0.00 O ATOM 790 CB HIS A 50 9.193 7.621 6.638 1.00 0.00 C ATOM 791 CG HIS A 50 9.544 9.022 7.002 1.00 0.00 C ATOM 792 ND1 HIS A 50 9.477 10.061 6.095 1.00 0.00 N ATOM 793 CD2 HIS A 50 9.989 9.646 8.129 1.00 0.00 C ATOM 794 CE1 HIS A 50 9.863 11.241 6.643 1.00 0.00 C ATOM 795 NE2 HIS A 50 10.186 10.999 7.921 1.00 0.00 N ATOM 0 H HIS A 50 6.115 8.214 7.794 1.00 0.00 H new ATOM 0 HA HIS A 50 7.204 7.554 5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 50 9.810 6.947 7.233 1.00 0.00 H new ATOM 0 HB3 HIS A 50 9.461 7.461 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.166 9.145 9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.903 12.197 6.142 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.513 11.680 8.606 1.00 0.00 H new ATOM 804 N ASP A 51 6.942 5.320 8.070 1.00 0.00 N ATOM 805 CA ASP A 51 6.905 3.910 8.531 1.00 0.00 C ATOM 806 C ASP A 51 5.503 3.268 8.531 1.00 0.00 C ATOM 807 O ASP A 51 5.405 2.118 8.861 1.00 0.00 O ATOM 808 CB ASP A 51 7.573 3.733 9.912 1.00 0.00 C ATOM 809 CG ASP A 51 6.664 4.266 10.997 1.00 0.00 C ATOM 810 OD1 ASP A 51 5.771 3.518 11.375 1.00 0.00 O ATOM 811 OD2 ASP A 51 6.842 5.375 11.446 1.00 0.00 O ATOM 0 H ASP A 51 6.268 5.938 8.522 1.00 0.00 H new ATOM 0 HA ASP A 51 7.485 3.372 7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.786 2.679 10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.527 4.259 9.934 1.00 0.00 H new ATOM 816 N ILE A 52 4.472 3.993 8.135 1.00 0.00 N ATOM 817 CA ILE A 52 3.088 3.538 8.022 1.00 0.00 C ATOM 818 C ILE A 52 2.708 3.814 6.547 1.00 0.00 C ATOM 819 O ILE A 52 2.691 4.916 6.071 1.00 0.00 O ATOM 820 CB ILE A 52 2.091 4.170 8.965 1.00 0.00 C ATOM 821 CG1 ILE A 52 1.653 5.571 8.481 1.00 0.00 C ATOM 822 CG2 ILE A 52 2.619 4.231 10.408 1.00 0.00 C ATOM 823 CD1 ILE A 52 0.802 6.268 9.539 1.00 0.00 C ATOM 0 H ILE A 52 4.579 4.971 7.867 1.00 0.00 H new ATOM 0 HA ILE A 52 3.040 2.489 8.313 1.00 0.00 H new ATOM 0 HB ILE A 52 1.212 3.525 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.532 6.175 8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.087 5.480 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.869 4.693 11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.828 3.221 10.762 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.534 4.822 10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.505 7.252 9.177 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.088 5.672 9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.380 6.378 10.456 1.00 0.00 H new ATOM 835 N ALA A 53 2.452 2.741 5.831 1.00 0.00 N ATOM 836 CA ALA A 53 2.175 2.808 4.391 1.00 0.00 C ATOM 837 C ALA A 53 0.711 2.383 4.123 1.00 0.00 C ATOM 838 O ALA A 53 0.298 1.274 4.482 1.00 0.00 O ATOM 839 CB ALA A 53 3.121 1.889 3.623 1.00 0.00 C ATOM 0 H ALA A 53 2.427 1.797 6.217 1.00 0.00 H new ATOM 0 HA ALA A 53 2.328 3.833 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.902 1.950 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.151 2.197 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.986 0.862 3.962 1.00 0.00 H new ATOM 845 N PHE A 54 0.037 3.317 3.538 1.00 0.00 N ATOM 846 CA PHE A 54 -1.390 3.185 3.066 1.00 0.00 C ATOM 847 C PHE A 54 -1.433 3.353 1.524 1.00 0.00 C ATOM 848 O PHE A 54 -1.275 4.421 0.960 1.00 0.00 O ATOM 849 CB PHE A 54 -2.256 4.269 3.683 1.00 0.00 C ATOM 850 CG PHE A 54 -3.610 3.755 4.144 1.00 0.00 C ATOM 851 CD1 PHE A 54 -4.664 3.573 3.230 1.00 0.00 C ATOM 852 CD2 PHE A 54 -3.764 3.470 5.499 1.00 0.00 C ATOM 853 CE1 PHE A 54 -5.888 3.095 3.718 1.00 0.00 C ATOM 854 CE2 PHE A 54 -4.996 2.996 5.958 1.00 0.00 C ATOM 855 CZ PHE A 54 -6.077 2.801 5.071 1.00 0.00 C ATOM 0 H PHE A 54 0.434 4.237 3.348 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.765 2.205 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.731 4.707 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.405 5.066 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.534 3.795 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.943 3.613 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.707 2.950 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.123 2.775 7.008 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.027 2.433 5.430 1.00 0.00 H new ATOM 865 N VAL A 55 -1.617 2.198 0.879 1.00 0.00 N ATOM 866 CA VAL A 55 -1.591 2.047 -0.580 1.00 0.00 C ATOM 867 C VAL A 55 -2.880 1.501 -1.179 1.00 0.00 C ATOM 868 O VAL A 55 -3.299 0.366 -1.165 1.00 0.00 O ATOM 869 CB VAL A 55 -0.480 1.008 -0.906 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.410 0.770 -2.392 1.00 0.00 C ATOM 871 CG2 VAL A 55 0.835 1.606 -0.361 1.00 0.00 C ATOM 0 H VAL A 55 -1.792 1.320 1.368 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.430 3.039 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.679 0.039 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.371 0.041 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.369 0.390 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.182 1.707 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.657 0.919 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.032 2.559 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.746 1.762 0.714 1.00 0.00 H new ATOM 881 N GLU A 56 -3.541 2.447 -1.807 1.00 0.00 N ATOM 882 CA GLU A 56 -4.827 2.318 -2.512 1.00 0.00 C ATOM 883 C GLU A 56 -4.603 2.134 -4.033 1.00 0.00 C ATOM 884 O GLU A 56 -4.269 3.033 -4.750 1.00 0.00 O ATOM 885 CB GLU A 56 -5.730 3.559 -2.381 1.00 0.00 C ATOM 886 CG GLU A 56 -7.131 3.246 -2.929 1.00 0.00 C ATOM 887 CD GLU A 56 -7.932 4.531 -3.010 1.00 0.00 C ATOM 888 OE1 GLU A 56 -7.809 5.403 -2.150 1.00 0.00 O ATOM 889 OE2 GLU A 56 -8.700 4.662 -3.959 1.00 0.00 O ATOM 0 H GLU A 56 -3.181 3.400 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.307 1.457 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.798 3.862 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.295 4.396 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.055 2.788 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.636 2.529 -2.282 1.00 0.00 H new ATOM 896 N PHE A 57 -4.769 0.907 -4.436 1.00 0.00 N ATOM 897 CA PHE A 57 -4.558 0.423 -5.822 1.00 0.00 C ATOM 898 C PHE A 57 -5.903 0.160 -6.545 1.00 0.00 C ATOM 899 O PHE A 57 -6.509 -0.828 -6.252 1.00 0.00 O ATOM 900 CB PHE A 57 -3.941 -1.001 -5.758 1.00 0.00 C ATOM 901 CG PHE A 57 -2.459 -1.048 -5.586 1.00 0.00 C ATOM 902 CD1 PHE A 57 -1.603 -0.753 -6.641 1.00 0.00 C ATOM 903 CD2 PHE A 57 -1.986 -1.422 -4.312 1.00 0.00 C ATOM 904 CE1 PHE A 57 -0.228 -0.837 -6.427 1.00 0.00 C ATOM 905 CE2 PHE A 57 -0.617 -1.503 -4.102 1.00 0.00 C ATOM 906 CZ PHE A 57 0.235 -1.209 -5.172 1.00 0.00 C ATOM 0 H PHE A 57 -5.067 0.165 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.951 1.175 -6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.403 -1.542 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.201 -1.533 -6.673 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.995 -0.465 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.678 -1.642 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.466 -0.616 -7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.220 -1.785 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.301 -1.274 -5.015 1.00 0.00 H new ATOM 916 N ASP A 58 -6.216 1.085 -7.375 1.00 0.00 N ATOM 917 CA ASP A 58 -7.476 1.077 -8.200 1.00 0.00 C ATOM 918 C ASP A 58 -7.991 -0.350 -8.397 1.00 0.00 C ATOM 919 O ASP A 58 -9.187 -0.553 -8.355 1.00 0.00 O ATOM 920 CB ASP A 58 -7.289 1.793 -9.531 1.00 0.00 C ATOM 921 CG ASP A 58 -8.673 2.146 -10.120 1.00 0.00 C ATOM 922 OD1 ASP A 58 -9.411 2.847 -9.445 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.960 1.709 -11.223 1.00 0.00 O ATOM 0 H ASP A 58 -5.629 1.903 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.233 1.633 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.699 2.699 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.737 1.158 -10.224 1.00 0.00 H new ATOM 928 N ASN A 59 -7.150 -1.322 -8.593 1.00 0.00 N ATOM 929 CA ASN A 59 -7.632 -2.723 -8.771 1.00 0.00 C ATOM 930 C ASN A 59 -6.698 -3.736 -8.073 1.00 0.00 C ATOM 931 O ASN A 59 -5.514 -3.651 -8.059 1.00 0.00 O ATOM 932 CB ASN A 59 -7.783 -3.003 -10.253 1.00 0.00 C ATOM 933 CG ASN A 59 -7.233 -4.373 -10.649 1.00 0.00 C ATOM 934 OD1 ASN A 59 -6.030 -4.591 -10.742 1.00 0.00 O ATOM 935 ND2 ASN A 59 -8.057 -5.357 -10.894 1.00 0.00 N ATOM 0 H ASN A 59 -6.137 -1.208 -8.639 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.605 -2.838 -8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.837 -2.946 -10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.265 -2.229 -10.820 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.693 -6.274 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.064 -5.208 -10.825 1.00 0.00 H new ATOM 942 N GLU A 60 -7.302 -4.712 -7.488 1.00 0.00 N ATOM 943 CA GLU A 60 -6.633 -5.829 -6.741 1.00 0.00 C ATOM 944 C GLU A 60 -5.682 -6.664 -7.600 1.00 0.00 C ATOM 945 O GLU A 60 -4.833 -7.334 -7.081 1.00 0.00 O ATOM 946 CB GLU A 60 -7.679 -6.697 -6.016 1.00 0.00 C ATOM 947 CG GLU A 60 -8.772 -7.100 -6.995 1.00 0.00 C ATOM 948 CD GLU A 60 -8.798 -8.626 -7.075 1.00 0.00 C ATOM 949 OE1 GLU A 60 -9.362 -9.248 -6.178 1.00 0.00 O ATOM 950 OE2 GLU A 60 -8.244 -9.143 -8.040 1.00 0.00 O ATOM 0 H GLU A 60 -8.318 -4.797 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.993 -5.364 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.204 -7.585 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.110 -6.144 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.738 -6.720 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.580 -6.670 -7.978 1.00 0.00 H new ATOM 957 N VAL A 61 -5.729 -6.702 -8.915 1.00 0.00 N ATOM 958 CA VAL A 61 -4.738 -7.531 -9.702 1.00 0.00 C ATOM 959 C VAL A 61 -3.403 -6.737 -9.588 1.00 0.00 C ATOM 960 O VAL A 61 -2.325 -7.248 -9.396 1.00 0.00 O ATOM 961 CB VAL A 61 -5.149 -7.648 -11.157 1.00 0.00 C ATOM 962 CG1 VAL A 61 -3.927 -8.098 -11.973 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.316 -8.644 -11.348 1.00 0.00 C ATOM 0 H VAL A 61 -6.409 -6.196 -9.482 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.666 -8.550 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.501 -6.676 -11.502 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.204 -8.188 -13.023 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.129 -7.362 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.580 -9.064 -11.606 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.579 -8.698 -12.404 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.013 -9.631 -10.999 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.180 -8.306 -10.776 1.00 0.00 H new ATOM 973 N GLN A 62 -3.573 -5.436 -9.712 1.00 0.00 N ATOM 974 CA GLN A 62 -2.380 -4.555 -9.588 1.00 0.00 C ATOM 975 C GLN A 62 -2.077 -4.372 -8.100 1.00 0.00 C ATOM 976 O GLN A 62 -0.903 -4.253 -7.767 1.00 0.00 O ATOM 977 CB GLN A 62 -2.521 -3.155 -10.197 1.00 0.00 C ATOM 978 CG GLN A 62 -3.438 -3.077 -11.428 1.00 0.00 C ATOM 979 CD GLN A 62 -4.599 -2.078 -11.172 1.00 0.00 C ATOM 980 OE1 GLN A 62 -4.965 -1.938 -10.039 1.00 0.00 O ATOM 981 NE2 GLN A 62 -5.163 -1.412 -12.141 1.00 0.00 N ATOM 0 H GLN A 62 -4.461 -4.966 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.590 -5.056 -10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.904 -2.479 -9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.531 -2.794 -10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.863 -2.762 -12.299 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.841 -4.064 -11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.843 -1.539 -13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.924 -0.764 -11.939 1.00 0.00 H new ATOM 990 N ALA A 63 -3.023 -4.346 -7.240 1.00 0.00 N ATOM 991 CA ALA A 63 -2.679 -4.147 -5.796 1.00 0.00 C ATOM 992 C ALA A 63 -2.002 -5.455 -5.340 1.00 0.00 C ATOM 993 O ALA A 63 -1.061 -5.432 -4.594 1.00 0.00 O ATOM 994 CB ALA A 63 -3.933 -3.929 -4.969 1.00 0.00 C ATOM 0 H ALA A 63 -4.016 -4.451 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.037 -3.275 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.659 -3.787 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.458 -3.045 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.584 -4.799 -5.058 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.567 -6.502 -5.867 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.067 -7.887 -5.553 1.00 0.00 C ATOM 1002 C GLY A 64 -0.727 -8.052 -6.224 1.00 0.00 C ATOM 1003 O GLY A 64 0.169 -8.707 -5.694 1.00 0.00 O ATOM 0 H GLY A 64 -3.360 -6.468 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.975 -8.026 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.770 -8.638 -5.912 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.527 -7.484 -7.380 1.00 0.00 N ATOM 1008 CA ALA A 65 0.731 -7.573 -8.137 1.00 0.00 C ATOM 1009 C ALA A 65 1.811 -6.886 -7.278 1.00 0.00 C ATOM 1010 O ALA A 65 2.812 -7.431 -6.887 1.00 0.00 O ATOM 1011 CB ALA A 65 0.654 -6.853 -9.487 1.00 0.00 C ATOM 0 H ALA A 65 -1.241 -6.928 -7.851 1.00 0.00 H new ATOM 0 HA ALA A 65 0.951 -8.621 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.608 -6.949 -10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.135 -7.299 -10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.434 -5.798 -9.325 1.00 0.00 H new ATOM 1017 N ALA A 66 1.611 -5.615 -6.950 1.00 0.00 N ATOM 1018 CA ALA A 66 2.541 -4.809 -6.130 1.00 0.00 C ATOM 1019 C ALA A 66 2.764 -5.482 -4.781 1.00 0.00 C ATOM 1020 O ALA A 66 3.868 -5.708 -4.319 1.00 0.00 O ATOM 1021 CB ALA A 66 1.835 -3.473 -5.817 1.00 0.00 C ATOM 0 H ALA A 66 0.785 -5.095 -7.247 1.00 0.00 H new ATOM 0 HA ALA A 66 3.483 -4.688 -6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.491 -2.848 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.601 -2.958 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.913 -3.668 -5.269 1.00 0.00 H new ATOM 1027 N ARG A 67 1.709 -5.824 -4.116 1.00 0.00 N ATOM 1028 CA ARG A 67 1.711 -6.481 -2.809 1.00 0.00 C ATOM 1029 C ARG A 67 2.488 -7.787 -2.881 1.00 0.00 C ATOM 1030 O ARG A 67 3.384 -7.988 -2.109 1.00 0.00 O ATOM 1031 CB ARG A 67 0.268 -6.786 -2.345 1.00 0.00 C ATOM 1032 CG ARG A 67 0.272 -7.033 -0.825 1.00 0.00 C ATOM 1033 CD ARG A 67 0.743 -8.443 -0.457 1.00 0.00 C ATOM 1034 NE ARG A 67 -0.376 -9.194 0.159 1.00 0.00 N ATOM 1035 CZ ARG A 67 -0.198 -9.821 1.302 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -0.265 -9.161 2.438 1.00 0.00 N ATOM 1037 NH2 ARG A 67 0.042 -11.092 1.270 1.00 0.00 N ATOM 0 H ARG A 67 0.767 -5.653 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 67 2.183 -5.806 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.390 -5.952 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.119 -7.661 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.920 -6.301 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.733 -6.876 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.097 -8.963 -1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.583 -8.388 0.236 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.285 -9.225 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.456 -8.159 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.126 -9.651 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.089 -11.580 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.184 -11.606 2.139 1.00 0.00 H new ATOM 1051 N ASP A 68 2.132 -8.651 -3.807 1.00 0.00 N ATOM 1052 CA ASP A 68 2.869 -9.948 -3.914 1.00 0.00 C ATOM 1053 C ASP A 68 4.339 -9.750 -4.365 1.00 0.00 C ATOM 1054 O ASP A 68 5.236 -10.470 -3.969 1.00 0.00 O ATOM 1055 CB ASP A 68 2.151 -10.829 -4.942 1.00 0.00 C ATOM 1056 CG ASP A 68 2.565 -12.310 -4.797 1.00 0.00 C ATOM 1057 OD1 ASP A 68 3.588 -12.698 -5.341 1.00 0.00 O ATOM 1058 OD2 ASP A 68 1.822 -13.000 -4.139 1.00 0.00 O ATOM 0 H ASP A 68 1.377 -8.516 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 68 2.884 -10.413 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.073 -10.736 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.384 -10.481 -5.948 1.00 0.00 H new ATOM 1063 N ALA A 69 4.620 -8.779 -5.194 1.00 0.00 N ATOM 1064 CA ALA A 69 6.030 -8.576 -5.635 1.00 0.00 C ATOM 1065 C ALA A 69 6.899 -7.991 -4.521 1.00 0.00 C ATOM 1066 O ALA A 69 8.020 -8.416 -4.344 1.00 0.00 O ATOM 1067 CB ALA A 69 6.026 -7.583 -6.807 1.00 0.00 C ATOM 0 H ALA A 69 3.941 -8.124 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 69 6.442 -9.545 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.048 -7.418 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.432 -7.989 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.595 -6.636 -6.480 1.00 0.00 H new ATOM 1073 N LEU A 70 6.414 -7.034 -3.774 1.00 0.00 N ATOM 1074 CA LEU A 70 7.284 -6.464 -2.685 1.00 0.00 C ATOM 1075 C LEU A 70 6.914 -7.221 -1.400 1.00 0.00 C ATOM 1076 O LEU A 70 7.329 -6.912 -0.314 1.00 0.00 O ATOM 1077 CB LEU A 70 7.038 -4.972 -2.476 1.00 0.00 C ATOM 1078 CG LEU A 70 5.583 -4.790 -2.004 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.564 -4.498 -0.506 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.921 -3.623 -2.724 1.00 0.00 C ATOM 0 H LEU A 70 5.482 -6.627 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 70 8.334 -6.578 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.731 -4.572 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.209 -4.424 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 70 5.039 -5.708 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.534 -4.369 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.018 -5.330 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.126 -3.586 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.894 -3.515 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.474 -2.707 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.920 -3.811 -3.798 1.00 0.00 H new ATOM 1092 N GLN A 71 6.106 -8.253 -1.503 1.00 0.00 N ATOM 1093 CA GLN A 71 5.721 -9.019 -0.276 1.00 0.00 C ATOM 1094 C GLN A 71 6.946 -9.579 0.434 1.00 0.00 C ATOM 1095 O GLN A 71 7.351 -10.703 0.162 1.00 0.00 O ATOM 1096 CB GLN A 71 4.767 -10.143 -0.692 1.00 0.00 C ATOM 1097 CG GLN A 71 3.510 -10.138 0.191 1.00 0.00 C ATOM 1098 CD GLN A 71 3.250 -11.558 0.707 1.00 0.00 C ATOM 1099 OE1 GLN A 71 3.711 -11.971 1.756 1.00 0.00 O ATOM 1100 NE2 GLN A 71 2.496 -12.336 -0.037 1.00 0.00 N ATOM 0 H GLN A 71 5.701 -8.594 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 71 5.225 -8.353 0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.484 -10.019 -1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.272 -11.105 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.642 -9.453 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.652 -9.783 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.112 -11.986 -0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.295 -13.290 0.263 1.00 0.00 H new ATOM 1109 N GLY A 72 7.535 -8.848 1.316 1.00 0.00 N ATOM 1110 CA GLY A 72 8.741 -9.371 2.029 1.00 0.00 C ATOM 1111 C GLY A 72 9.883 -8.382 1.724 1.00 0.00 C ATOM 1112 O GLY A 72 10.965 -8.846 1.434 1.00 0.00 O ATOM 0 H GLY A 72 7.244 -7.908 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.560 -9.438 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.992 -10.374 1.685 1.00 0.00 H new ATOM 1116 N PHE A 73 9.611 -7.124 1.804 1.00 0.00 N ATOM 1117 CA PHE A 73 10.698 -6.146 1.522 1.00 0.00 C ATOM 1118 C PHE A 73 11.568 -6.115 2.802 1.00 0.00 C ATOM 1119 O PHE A 73 11.562 -5.153 3.521 1.00 0.00 O ATOM 1120 CB PHE A 73 10.197 -4.784 1.119 1.00 0.00 C ATOM 1121 CG PHE A 73 11.253 -4.079 0.278 1.00 0.00 C ATOM 1122 CD1 PHE A 73 12.569 -3.998 0.726 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.917 -3.492 -0.963 1.00 0.00 C ATOM 1124 CE1 PHE A 73 13.555 -3.348 -0.030 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.911 -2.839 -1.721 1.00 0.00 C ATOM 1126 CZ PHE A 73 13.231 -2.764 -1.263 1.00 0.00 C ATOM 0 H PHE A 73 8.704 -6.726 2.047 1.00 0.00 H new ATOM 0 HA PHE A 73 11.279 -6.456 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.271 -4.879 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.969 -4.192 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.835 -4.444 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.902 -3.543 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.569 -3.297 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.650 -2.391 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.988 -2.265 -1.850 1.00 0.00 H new ATOM 1136 N LYS A 74 12.250 -7.208 2.981 1.00 0.00 N ATOM 1137 CA LYS A 74 13.189 -7.451 4.091 1.00 0.00 C ATOM 1138 C LYS A 74 14.213 -6.296 4.179 1.00 0.00 C ATOM 1139 O LYS A 74 15.323 -6.401 3.721 1.00 0.00 O ATOM 1140 CB LYS A 74 14.009 -8.718 3.813 1.00 0.00 C ATOM 1141 CG LYS A 74 14.045 -9.094 2.346 1.00 0.00 C ATOM 1142 CD LYS A 74 14.471 -7.931 1.436 1.00 0.00 C ATOM 1143 CE LYS A 74 13.729 -8.112 0.110 1.00 0.00 C ATOM 1144 NZ LYS A 74 14.233 -7.133 -0.918 1.00 0.00 N ATOM 0 H LYS A 74 12.180 -8.001 2.343 1.00 0.00 H new ATOM 0 HA LYS A 74 12.605 -7.541 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.029 -8.569 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.590 -9.547 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.734 -9.927 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.058 -9.443 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.221 -6.973 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.550 -7.938 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.865 -9.131 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.659 -7.968 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.718 -7.271 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.081 -6.162 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.249 -7.289 -1.077 1.00 0.00 H new ATOM 1158 N ILE A 75 13.752 -5.239 4.786 1.00 0.00 N ATOM 1159 CA ILE A 75 14.644 -4.052 4.942 1.00 0.00 C ATOM 1160 C ILE A 75 15.914 -4.507 5.662 1.00 0.00 C ATOM 1161 O ILE A 75 16.939 -3.897 5.517 1.00 0.00 O ATOM 1162 CB ILE A 75 13.910 -3.072 5.862 1.00 0.00 C ATOM 1163 CG1 ILE A 75 12.835 -2.379 4.995 1.00 0.00 C ATOM 1164 CG2 ILE A 75 14.816 -1.963 6.382 1.00 0.00 C ATOM 1165 CD1 ILE A 75 11.528 -2.459 5.778 1.00 0.00 C ATOM 0 H ILE A 75 12.814 -5.143 5.175 1.00 0.00 H new ATOM 0 HA ILE A 75 14.889 -3.602 3.980 1.00 0.00 H new ATOM 0 HB ILE A 75 13.518 -3.629 6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 75 13.106 -1.342 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 75 12.739 -2.873 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 75 14.243 -1.298 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 75 15.638 -2.400 6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 75 15.216 -1.396 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.732 -1.981 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.272 -3.504 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.645 -1.949 6.734 1.00 0.00 H new ATOM 1177 N THR A 76 15.767 -5.578 6.415 1.00 0.00 N ATOM 1178 CA THR A 76 16.958 -6.073 7.146 1.00 0.00 C ATOM 1179 C THR A 76 17.174 -7.593 6.956 1.00 0.00 C ATOM 1180 O THR A 76 18.306 -7.992 6.902 1.00 0.00 O ATOM 1181 CB THR A 76 16.866 -5.782 8.664 1.00 0.00 C ATOM 1182 OG1 THR A 76 16.494 -4.434 8.813 1.00 0.00 O ATOM 1183 CG2 THR A 76 18.256 -6.004 9.237 1.00 0.00 C ATOM 0 H THR A 76 14.904 -6.106 6.546 1.00 0.00 H new ATOM 0 HA THR A 76 17.804 -5.534 6.720 1.00 0.00 H new ATOM 0 HB THR A 76 16.142 -6.419 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.425 -4.217 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.243 -5.810 10.310 1.00 0.00 H new ATOM 0 HG22 THR A 76 18.563 -7.034 9.058 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.961 -5.327 8.755 1.00 0.00 H new ATOM 1191 N GLN A 77 16.093 -8.286 6.874 1.00 0.00 N ATOM 1192 CA GLN A 77 16.043 -9.770 6.698 1.00 0.00 C ATOM 1193 C GLN A 77 15.026 -10.288 7.745 1.00 0.00 C ATOM 1194 O GLN A 77 14.214 -11.154 7.521 1.00 0.00 O ATOM 1195 CB GLN A 77 17.397 -10.428 6.850 1.00 0.00 C ATOM 1196 CG GLN A 77 17.176 -11.945 6.877 1.00 0.00 C ATOM 1197 CD GLN A 77 18.510 -12.613 6.569 1.00 0.00 C ATOM 1198 OE1 GLN A 77 18.538 -13.625 5.901 1.00 0.00 O ATOM 1199 NE2 GLN A 77 19.626 -12.113 7.012 1.00 0.00 N ATOM 0 H GLN A 77 15.167 -7.861 6.925 1.00 0.00 H new ATOM 0 HA GLN A 77 15.735 -10.023 5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.052 -10.151 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.883 -10.096 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.807 -12.260 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.424 -12.235 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.616 -11.262 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 77 20.511 -12.571 6.797 1.00 0.00 H new ATOM 1208 N ASN A 78 15.112 -9.700 8.896 1.00 0.00 N ATOM 1209 CA ASN A 78 14.209 -10.028 10.058 1.00 0.00 C ATOM 1210 C ASN A 78 13.073 -8.976 9.998 1.00 0.00 C ATOM 1211 O ASN A 78 11.921 -9.208 10.252 1.00 0.00 O ATOM 1212 CB ASN A 78 14.944 -9.989 11.385 1.00 0.00 C ATOM 1213 CG ASN A 78 15.954 -11.151 11.448 1.00 0.00 C ATOM 1214 OD1 ASN A 78 17.114 -10.997 11.081 1.00 0.00 O ATOM 1215 ND2 ASN A 78 15.593 -12.316 11.888 1.00 0.00 N ATOM 0 H ASN A 78 15.796 -8.972 9.101 1.00 0.00 H new ATOM 0 HA ASN A 78 13.823 -11.045 9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.462 -9.037 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.234 -10.065 12.208 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.268 -13.080 11.923 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.634 -12.469 12.199 1.00 0.00 H new ATOM 1222 N ASN A 79 13.502 -7.789 9.623 1.00 0.00 N ATOM 1223 CA ASN A 79 12.598 -6.607 9.471 1.00 0.00 C ATOM 1224 C ASN A 79 12.238 -6.530 7.967 1.00 0.00 C ATOM 1225 O ASN A 79 13.027 -6.118 7.123 1.00 0.00 O ATOM 1226 CB ASN A 79 13.262 -5.320 9.907 1.00 0.00 C ATOM 1227 CG ASN A 79 13.822 -5.555 11.319 1.00 0.00 C ATOM 1228 OD1 ASN A 79 15.001 -5.349 11.548 1.00 0.00 O ATOM 1229 ND2 ASN A 79 13.015 -5.973 12.256 1.00 0.00 N ATOM 0 H ASN A 79 14.479 -7.589 9.409 1.00 0.00 H new ATOM 0 HA ASN A 79 11.718 -6.727 10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.060 -5.046 9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.546 -4.499 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.368 -6.133 13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.031 -6.140 12.045 1.00 0.00 H new ATOM 1236 N ALA A 80 11.057 -6.928 7.629 1.00 0.00 N ATOM 1237 CA ALA A 80 10.567 -6.918 6.207 1.00 0.00 C ATOM 1238 C ALA A 80 9.284 -6.053 6.226 1.00 0.00 C ATOM 1239 O ALA A 80 8.457 -6.317 7.060 1.00 0.00 O ATOM 1240 CB ALA A 80 10.269 -8.338 5.773 1.00 0.00 C ATOM 0 H ALA A 80 10.371 -7.277 8.298 1.00 0.00 H new ATOM 0 HA ALA A 80 11.298 -6.516 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.913 -8.336 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.176 -8.938 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.502 -8.763 6.421 1.00 0.00 H new ATOM 1246 N MET A 81 9.217 -5.108 5.344 1.00 0.00 N ATOM 1247 CA MET A 81 8.014 -4.229 5.297 1.00 0.00 C ATOM 1248 C MET A 81 6.719 -5.005 5.467 1.00 0.00 C ATOM 1249 O MET A 81 6.611 -6.114 4.961 1.00 0.00 O ATOM 1250 CB MET A 81 7.987 -3.494 3.941 1.00 0.00 C ATOM 1251 CG MET A 81 6.612 -3.537 3.297 1.00 0.00 C ATOM 1252 SD MET A 81 6.524 -2.258 2.010 1.00 0.00 S ATOM 1253 CE MET A 81 7.851 -2.973 1.004 1.00 0.00 C ATOM 0 H MET A 81 9.937 -4.901 4.652 1.00 0.00 H new ATOM 0 HA MET A 81 8.085 -3.525 6.126 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.287 -2.456 4.085 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.716 -3.946 3.269 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.429 -4.520 2.864 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.839 -3.370 4.047 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.777 -2.596 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.817 -2.694 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.758 -4.059 0.997 1.00 0.00 H new ATOM 1263 N LYS A 82 5.700 -4.494 6.145 1.00 0.00 N ATOM 1264 CA LYS A 82 4.423 -5.201 6.336 1.00 0.00 C ATOM 1265 C LYS A 82 3.297 -4.253 5.808 1.00 0.00 C ATOM 1266 O LYS A 82 3.209 -3.167 6.332 1.00 0.00 O ATOM 1267 CB LYS A 82 4.215 -5.653 7.785 1.00 0.00 C ATOM 1268 CG LYS A 82 5.241 -6.750 8.159 1.00 0.00 C ATOM 1269 CD LYS A 82 4.716 -7.600 9.309 1.00 0.00 C ATOM 1270 CE LYS A 82 4.052 -8.877 8.793 1.00 0.00 C ATOM 1271 NZ LYS A 82 4.826 -10.061 9.241 1.00 0.00 N ATOM 0 H LYS A 82 5.728 -3.573 6.583 1.00 0.00 H new ATOM 0 HA LYS A 82 4.409 -6.134 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.322 -4.802 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.202 -6.035 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.439 -7.381 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.188 -6.290 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.537 -7.858 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.998 -7.024 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.028 -8.940 9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.999 -8.856 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.371 -10.927 8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.796 -10.003 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.855 -10.084 10.280 1.00 0.00 H new ATOM 1285 N ILE A 83 2.671 -4.793 4.808 1.00 0.00 N ATOM 1286 CA ILE A 83 1.587 -4.178 3.975 1.00 0.00 C ATOM 1287 C ILE A 83 0.448 -5.207 3.976 1.00 0.00 C ATOM 1288 O ILE A 83 0.601 -6.301 3.485 1.00 0.00 O ATOM 1289 CB ILE A 83 2.067 -4.013 2.510 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.703 -2.610 2.371 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.893 -4.057 1.549 1.00 0.00 C ATOM 1292 CD1 ILE A 83 3.464 -2.619 1.040 1.00 0.00 C ATOM 0 H ILE A 83 2.891 -5.740 4.500 1.00 0.00 H new ATOM 0 HA ILE A 83 1.296 -3.202 4.364 1.00 0.00 H new ATOM 0 HB ILE A 83 2.766 -4.816 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.939 -1.833 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.376 -2.403 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.254 -3.939 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.380 -5.014 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.200 -3.249 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.937 -1.649 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.228 -3.396 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.769 -2.818 0.225 1.00 0.00 H new ATOM 1304 N SER A 84 -0.620 -4.829 4.577 1.00 0.00 N ATOM 1305 CA SER A 84 -1.768 -5.740 4.764 1.00 0.00 C ATOM 1306 C SER A 84 -3.029 -5.074 4.164 1.00 0.00 C ATOM 1307 O SER A 84 -3.449 -4.134 4.743 1.00 0.00 O ATOM 1308 CB SER A 84 -2.088 -6.052 6.223 1.00 0.00 C ATOM 1309 OG SER A 84 -3.347 -6.704 6.296 1.00 0.00 O ATOM 0 H SER A 84 -0.756 -3.895 4.963 1.00 0.00 H new ATOM 0 HA SER A 84 -1.493 -6.674 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.311 -6.686 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.107 -5.133 6.808 1.00 0.00 H new ATOM 0 HG SER A 84 -3.556 -6.908 7.231 1.00 0.00 H new ATOM 1315 N PHE A 85 -3.452 -5.588 3.086 1.00 0.00 N ATOM 1316 CA PHE A 85 -4.698 -5.119 2.382 1.00 0.00 C ATOM 1317 C PHE A 85 -5.574 -4.326 3.318 1.00 0.00 C ATOM 1318 O PHE A 85 -5.429 -3.131 3.552 1.00 0.00 O ATOM 1319 CB PHE A 85 -5.444 -6.359 1.830 1.00 0.00 C ATOM 1320 CG PHE A 85 -4.901 -7.648 2.350 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -5.268 -8.233 3.554 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -3.939 -8.317 1.554 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -4.698 -9.455 3.959 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -3.358 -9.526 1.929 1.00 0.00 C ATOM 1325 CZ PHE A 85 -3.742 -10.101 3.139 1.00 0.00 C ATOM 0 H PHE A 85 -2.980 -6.359 2.613 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.433 -4.458 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.500 -6.286 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.382 -6.358 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.997 -7.747 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.643 -7.870 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.991 -9.901 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.627 -10.007 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.310 -11.040 3.451 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.561 -4.906 3.962 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.445 -4.116 4.871 1.00 0.00 C ATOM 1337 C ALA A 86 -8.600 -5.006 5.292 1.00 0.00 C ATOM 1338 O ALA A 86 -9.182 -4.723 6.334 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.036 -2.983 4.019 1.00 0.00 C ATOM 0 H ALA A 86 -6.791 -5.898 3.895 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.901 -3.746 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.694 -2.370 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.229 -2.366 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.605 -3.408 3.192 1.00 0.00 H new ATOM 1345 N LYS A 87 -8.963 -6.040 4.567 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.102 -6.897 5.000 1.00 0.00 C ATOM 1347 C LYS A 87 -9.714 -8.373 5.090 1.00 0.00 C ATOM 1348 O LYS A 87 -9.474 -8.863 6.186 1.00 0.00 O ATOM 1349 CB LYS A 87 -11.217 -6.718 3.949 1.00 0.00 C ATOM 1350 CG LYS A 87 -12.442 -6.028 4.579 1.00 0.00 C ATOM 1351 CD LYS A 87 -12.052 -4.862 5.465 1.00 0.00 C ATOM 1352 CE LYS A 87 -13.338 -4.076 5.804 1.00 0.00 C ATOM 1353 NZ LYS A 87 -13.217 -2.671 5.325 1.00 0.00 N ATOM 0 H LYS A 87 -8.516 -6.323 3.695 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.425 -6.598 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.846 -6.124 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.505 -7.689 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.104 -5.675 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.004 -6.755 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.571 -5.218 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.334 -4.219 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.200 -4.555 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.509 -4.089 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.947 -2.056 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.490 -2.618 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.130 -2.356 4.938 1.00 0.00 H new ATOM 1367 N LYS A 88 -9.649 -9.083 3.982 1.00 0.00 N ATOM 1368 CA LYS A 88 -9.278 -10.522 4.025 1.00 0.00 C ATOM 1369 C LYS A 88 -7.795 -10.704 4.287 1.00 0.00 C ATOM 1370 O LYS A 88 -7.388 -10.800 5.437 1.00 0.00 O ATOM 1371 CB LYS A 88 -9.576 -11.167 2.657 1.00 0.00 C ATOM 1372 CG LYS A 88 -11.011 -10.891 2.230 1.00 0.00 C ATOM 1373 CD LYS A 88 -11.897 -12.085 2.639 1.00 0.00 C ATOM 1374 CE LYS A 88 -13.086 -12.170 1.690 1.00 0.00 C ATOM 1375 NZ LYS A 88 -12.619 -12.565 0.325 1.00 0.00 N ATOM 1376 OXT LYS A 88 -7.076 -10.741 3.292 1.00 0.00 O ATOM 0 H LYS A 88 -9.840 -8.716 3.049 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.854 -10.985 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.887 -10.776 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.409 -12.243 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.373 -9.976 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.060 -10.738 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.321 -13.010 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.243 -11.963 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.808 -12.897 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.597 -11.208 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.370 -13.099 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.392 -11.712 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.770 -13.160 0.407 1.00 0.00 H new TER 1390 LYS A 88