USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 821 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 71 GLN :FLIP amide:sc= -4.81! C(o=-15!,f=-9.3!) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -5.43! C(o=-15!,f=-9.3!) USER MOD Set 1.3: A 97 THR OG1 : rot 121:sc= 0.895! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.78! C(o=-5!,f=-3.3!) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.487 K(o=-3.3,f=-4.8) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.105 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -6.66! C(o=-8.7!,f=-6.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0646 F(o=-1.5!,f=-0.065) USER MOD Single : A 13 ASN : amide:sc= -2.7 K(o=-2.7,f=-4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.0818 (180deg=-0.639) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 32 LYS NZ :NH3+ -126:sc= 0.941 (180deg=-0.15) USER MOD Single : A 33 MET CE :methyl -151:sc= -0.861 (180deg=-2.23) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.32! C(o=-4.1!,f=-3.3!) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= -0.114 (180deg=-0.204) USER MOD Single : A 44 THR OG1 : rot -160:sc= -2.84 USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= -0.128 (180deg=-0.969) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 6:sc= 0.821 USER MOD Single : A 55 SER OG : rot -100:sc= -0.468 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 154:sc= -0.264 (180deg=-1.36!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -5.1! C(o=-8.5!,f=-5.1!) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= -0.825 (180deg=-0.94) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.4) USER MOD Single : A 95 LYS NZ :NH3+ 173:sc= 0.171 (180deg=0.154) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00119 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.379 X(o=0.38,f=-0.016) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.986 F(o=-4.2!,f=-0.99) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.751 10.019 2.884 1.00 0.00 N ATOM 2 CA ALA A 1 -18.248 9.204 1.743 1.00 0.00 C ATOM 3 C ALA A 1 -17.598 10.117 0.703 1.00 0.00 C ATOM 4 O ALA A 1 -18.244 10.606 -0.202 1.00 0.00 O ATOM 5 CB ALA A 1 -19.411 8.453 1.098 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.638 9.609 3.239 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.043 10.024 3.646 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.924 10.994 2.565 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.511 8.490 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.041 7.857 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.874 7.797 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.149 9.168 0.734 1.00 0.00 H new ATOM 13 N ASP A 2 -16.323 10.348 0.829 1.00 0.00 N ATOM 14 CA ASP A 2 -15.617 11.231 -0.149 1.00 0.00 C ATOM 15 C ASP A 2 -14.121 10.917 -0.154 1.00 0.00 C ATOM 16 O ASP A 2 -13.335 11.563 -0.818 1.00 0.00 O ATOM 17 CB ASP A 2 -15.819 12.688 0.255 1.00 0.00 C ATOM 18 CG ASP A 2 -17.315 13.006 0.304 1.00 0.00 C ATOM 19 OD1 ASP A 2 -17.867 13.331 -0.734 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.882 12.922 1.381 1.00 0.00 O ATOM 0 H ASP A 2 -15.734 9.964 1.568 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.024 11.058 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.366 12.872 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.321 13.346 -0.457 1.00 0.00 H new ATOM 25 N LEU A 3 -13.740 9.928 0.591 1.00 0.00 N ATOM 26 CA LEU A 3 -12.311 9.514 0.692 1.00 0.00 C ATOM 27 C LEU A 3 -12.252 8.334 1.664 1.00 0.00 C ATOM 28 O LEU A 3 -11.510 7.390 1.485 1.00 0.00 O ATOM 29 CB LEU A 3 -11.472 10.691 1.248 1.00 0.00 C ATOM 30 CG LEU A 3 -10.084 10.764 0.577 1.00 0.00 C ATOM 31 CD1 LEU A 3 -9.391 9.391 0.630 1.00 0.00 C ATOM 32 CD2 LEU A 3 -10.210 11.236 -0.887 1.00 0.00 C ATOM 0 H LEU A 3 -14.378 9.367 1.156 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.913 9.234 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.005 11.628 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.351 10.576 2.325 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.479 11.487 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.413 9.458 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.268 9.086 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.001 8.655 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.220 11.281 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.833 10.535 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.666 12.226 -0.912 1.00 0.00 H new ATOM 44 N GLU A 4 -13.054 8.397 2.690 1.00 0.00 N ATOM 45 CA GLU A 4 -13.091 7.303 3.693 1.00 0.00 C ATOM 46 C GLU A 4 -13.521 6.004 3.013 1.00 0.00 C ATOM 47 O GLU A 4 -13.370 4.929 3.558 1.00 0.00 O ATOM 48 CB GLU A 4 -14.114 7.658 4.775 1.00 0.00 C ATOM 49 CG GLU A 4 -15.481 7.890 4.119 1.00 0.00 C ATOM 50 CD GLU A 4 -16.437 8.514 5.137 1.00 0.00 C ATOM 51 OE1 GLU A 4 -17.101 7.765 5.834 1.00 0.00 O ATOM 52 OE2 GLU A 4 -16.489 9.732 5.202 1.00 0.00 O ATOM 0 H GLU A 4 -13.692 9.171 2.876 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.103 7.176 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.180 6.854 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.798 8.553 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.375 8.546 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.886 6.946 3.755 1.00 0.00 H new ATOM 59 N ASP A 5 -14.079 6.091 1.837 1.00 0.00 N ATOM 60 CA ASP A 5 -14.534 4.856 1.146 1.00 0.00 C ATOM 61 C ASP A 5 -13.344 4.107 0.551 1.00 0.00 C ATOM 62 O ASP A 5 -13.211 2.914 0.740 1.00 0.00 O ATOM 63 CB ASP A 5 -15.535 5.222 0.047 1.00 0.00 C ATOM 64 CG ASP A 5 -14.810 5.936 -1.096 1.00 0.00 C ATOM 65 OD1 ASP A 5 -13.966 6.769 -0.809 1.00 0.00 O ATOM 66 OD2 ASP A 5 -15.112 5.638 -2.241 1.00 0.00 O ATOM 0 H ASP A 5 -14.238 6.960 1.328 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.021 4.203 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.025 4.323 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.316 5.865 0.453 1.00 0.00 H new ATOM 71 N ASN A 6 -12.461 4.779 -0.157 1.00 0.00 N ATOM 72 CA ASN A 6 -11.283 4.058 -0.726 1.00 0.00 C ATOM 73 C ASN A 6 -10.678 3.257 0.427 1.00 0.00 C ATOM 74 O ASN A 6 -10.274 2.119 0.287 1.00 0.00 O ATOM 75 CB ASN A 6 -10.279 5.093 -1.314 1.00 0.00 C ATOM 76 CG ASN A 6 -8.836 4.816 -0.866 1.00 0.00 C ATOM 77 OD1 ASN A 6 -8.552 4.822 0.404 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -7.963 4.597 -1.683 1.00 0.00 N flip ATOM 0 H ASN A 6 -12.507 5.778 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.554 3.387 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.331 5.070 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.569 6.096 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.186 4.592 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.008 4.418 -1.373 1.00 0.00 H new ATOM 85 N TRP A 7 -10.658 3.865 1.579 1.00 0.00 N ATOM 86 CA TRP A 7 -10.135 3.189 2.786 1.00 0.00 C ATOM 87 C TRP A 7 -10.959 1.917 3.036 1.00 0.00 C ATOM 88 O TRP A 7 -10.442 0.900 3.455 1.00 0.00 O ATOM 89 CB TRP A 7 -10.269 4.158 3.978 1.00 0.00 C ATOM 90 CG TRP A 7 -8.977 4.895 4.186 1.00 0.00 C ATOM 91 CD1 TRP A 7 -8.480 5.802 3.324 1.00 0.00 C ATOM 92 CD2 TRP A 7 -8.016 4.803 5.282 1.00 0.00 C ATOM 93 NE1 TRP A 7 -7.284 6.286 3.814 1.00 0.00 N ATOM 94 CE2 TRP A 7 -6.952 5.702 5.018 1.00 0.00 C ATOM 95 CE3 TRP A 7 -7.962 4.043 6.464 1.00 0.00 C ATOM 96 CZ2 TRP A 7 -5.873 5.842 5.894 1.00 0.00 C ATOM 97 CZ3 TRP A 7 -6.876 4.182 7.348 1.00 0.00 C ATOM 98 CH2 TRP A 7 -5.835 5.080 7.063 1.00 0.00 C ATOM 0 H TRP A 7 -10.989 4.818 1.732 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.088 2.913 2.658 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.076 4.867 3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -10.531 3.605 4.880 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.944 6.103 2.396 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.715 6.990 3.343 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.757 3.350 6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.075 6.534 5.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.843 3.593 8.253 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.006 5.181 7.747 1.00 0.00 H new ATOM 109 N GLU A 8 -12.242 1.976 2.785 1.00 0.00 N ATOM 110 CA GLU A 8 -13.107 0.782 3.013 1.00 0.00 C ATOM 111 C GLU A 8 -12.630 -0.361 2.116 1.00 0.00 C ATOM 112 O GLU A 8 -12.525 -1.493 2.541 1.00 0.00 O ATOM 113 CB GLU A 8 -14.557 1.132 2.676 1.00 0.00 C ATOM 114 CG GLU A 8 -15.490 -0.006 3.107 1.00 0.00 C ATOM 115 CD GLU A 8 -15.382 -1.169 2.117 1.00 0.00 C ATOM 116 OE1 GLU A 8 -15.178 -0.907 0.944 1.00 0.00 O ATOM 117 OE2 GLU A 8 -15.504 -2.302 2.551 1.00 0.00 O ATOM 0 H GLU A 8 -12.727 2.801 2.432 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.046 0.475 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.842 2.056 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.657 1.308 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.227 -0.344 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.519 0.352 3.151 1.00 0.00 H new ATOM 124 N THR A 9 -12.319 -0.078 0.883 1.00 0.00 N ATOM 125 CA THR A 9 -11.828 -1.156 -0.014 1.00 0.00 C ATOM 126 C THR A 9 -10.618 -1.802 0.656 1.00 0.00 C ATOM 127 O THR A 9 -10.543 -3.005 0.842 1.00 0.00 O ATOM 128 CB THR A 9 -11.412 -0.544 -1.362 1.00 0.00 C ATOM 129 OG1 THR A 9 -12.340 0.472 -1.720 1.00 0.00 O ATOM 130 CG2 THR A 9 -11.402 -1.627 -2.445 1.00 0.00 C ATOM 0 H THR A 9 -12.383 0.848 0.460 1.00 0.00 H new ATOM 0 HA THR A 9 -12.606 -1.899 -0.190 1.00 0.00 H new ATOM 0 HB THR A 9 -10.413 -0.118 -1.272 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.078 0.867 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.106 -1.187 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.693 -2.409 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.399 -2.058 -2.538 1.00 0.00 H new ATOM 138 N LEU A 10 -9.678 -0.989 1.032 1.00 0.00 N ATOM 139 CA LEU A 10 -8.460 -1.494 1.704 1.00 0.00 C ATOM 140 C LEU A 10 -8.841 -2.119 3.044 1.00 0.00 C ATOM 141 O LEU A 10 -8.175 -2.992 3.537 1.00 0.00 O ATOM 142 CB LEU A 10 -7.509 -0.304 1.936 1.00 0.00 C ATOM 143 CG LEU A 10 -6.507 -0.160 0.782 1.00 0.00 C ATOM 144 CD1 LEU A 10 -7.204 0.423 -0.447 1.00 0.00 C ATOM 145 CD2 LEU A 10 -5.380 0.779 1.213 1.00 0.00 C ATOM 0 H LEU A 10 -9.704 0.022 0.899 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.972 -2.249 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.088 0.614 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.970 -0.443 2.873 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.103 -1.141 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.485 0.521 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.012 -0.240 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.612 1.404 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.664 0.886 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.795 1.756 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.876 0.366 2.087 1.00 0.00 H new ATOM 157 N ASN A 11 -9.888 -1.666 3.647 1.00 0.00 N ATOM 158 CA ASN A 11 -10.270 -2.228 4.969 1.00 0.00 C ATOM 159 C ASN A 11 -10.516 -3.726 4.861 1.00 0.00 C ATOM 160 O ASN A 11 -9.825 -4.532 5.451 1.00 0.00 O ATOM 161 CB ASN A 11 -11.561 -1.580 5.438 1.00 0.00 C ATOM 162 CG ASN A 11 -11.818 -1.957 6.899 1.00 0.00 C ATOM 163 OD1 ASN A 11 -10.806 -2.204 7.689 1.00 0.00 O flip ATOM 164 ND2 ASN A 11 -12.953 -2.029 7.327 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.500 -0.933 3.289 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.458 -2.035 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.495 -0.497 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.393 -1.908 4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.743 -1.836 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.115 -2.282 8.302 1.00 0.00 H new ATOM 171 N ASP A 12 -11.521 -4.094 4.129 1.00 0.00 N ATOM 172 CA ASP A 12 -11.854 -5.531 3.993 1.00 0.00 C ATOM 173 C ASP A 12 -10.621 -6.299 3.566 1.00 0.00 C ATOM 174 O ASP A 12 -10.524 -7.491 3.772 1.00 0.00 O ATOM 175 CB ASP A 12 -12.918 -5.709 2.928 1.00 0.00 C ATOM 176 CG ASP A 12 -14.253 -5.163 3.436 1.00 0.00 C ATOM 177 OD1 ASP A 12 -14.269 -4.619 4.528 1.00 0.00 O ATOM 178 OD2 ASP A 12 -15.236 -5.297 2.726 1.00 0.00 O ATOM 0 H ASP A 12 -12.130 -3.457 3.616 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.216 -5.902 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.624 -5.188 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.019 -6.764 2.674 1.00 0.00 H new ATOM 183 N ASN A 13 -9.675 -5.645 2.960 1.00 0.00 N ATOM 184 CA ASN A 13 -8.480 -6.408 2.533 1.00 0.00 C ATOM 185 C ASN A 13 -7.767 -6.934 3.781 1.00 0.00 C ATOM 186 O ASN A 13 -7.574 -8.122 3.939 1.00 0.00 O ATOM 187 CB ASN A 13 -7.517 -5.534 1.722 1.00 0.00 C ATOM 188 CG ASN A 13 -8.171 -5.037 0.418 1.00 0.00 C ATOM 189 OD1 ASN A 13 -7.699 -4.094 -0.183 1.00 0.00 O ATOM 190 ND2 ASN A 13 -9.225 -5.630 -0.066 1.00 0.00 N ATOM 0 H ASN A 13 -9.675 -4.647 2.748 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.799 -7.232 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.205 -4.680 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.618 -6.103 1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.641 -5.300 -0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.635 -6.424 0.426 1.00 0.00 H new ATOM 197 N LEU A 14 -7.391 -6.065 4.680 1.00 0.00 N ATOM 198 CA LEU A 14 -6.711 -6.521 5.926 1.00 0.00 C ATOM 199 C LEU A 14 -7.626 -7.492 6.669 1.00 0.00 C ATOM 200 O LEU A 14 -7.188 -8.430 7.302 1.00 0.00 O ATOM 201 CB LEU A 14 -6.460 -5.317 6.836 1.00 0.00 C ATOM 202 CG LEU A 14 -5.250 -4.506 6.349 1.00 0.00 C ATOM 203 CD1 LEU A 14 -3.955 -5.318 6.480 1.00 0.00 C ATOM 204 CD2 LEU A 14 -5.456 -4.097 4.889 1.00 0.00 C ATOM 0 H LEU A 14 -7.526 -5.057 4.605 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.769 -7.004 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.345 -4.681 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.288 -5.657 7.857 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.162 -3.615 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.114 -4.721 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.798 -5.586 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.032 -6.225 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.595 -3.522 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.564 -4.990 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.356 -3.488 4.805 1.00 0.00 H new ATOM 216 N LYS A 15 -8.896 -7.242 6.613 1.00 0.00 N ATOM 217 CA LYS A 15 -9.878 -8.096 7.326 1.00 0.00 C ATOM 218 C LYS A 15 -9.703 -9.564 6.931 1.00 0.00 C ATOM 219 O LYS A 15 -9.615 -10.432 7.774 1.00 0.00 O ATOM 220 CB LYS A 15 -11.275 -7.616 6.923 1.00 0.00 C ATOM 221 CG LYS A 15 -12.349 -8.220 7.830 1.00 0.00 C ATOM 222 CD LYS A 15 -13.749 -7.863 7.276 1.00 0.00 C ATOM 223 CE LYS A 15 -14.218 -8.932 6.275 1.00 0.00 C ATOM 224 NZ LYS A 15 -14.904 -10.032 7.009 1.00 0.00 N ATOM 0 H LYS A 15 -9.305 -6.466 6.093 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.731 -8.020 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.319 -6.528 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.473 -7.892 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.231 -9.302 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.240 -7.839 8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.463 -7.786 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.717 -6.889 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.896 -8.490 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.366 -9.326 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.222 -10.755 6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.244 -10.460 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.726 -9.650 7.518 1.00 0.00 H new ATOM 238 N VAL A 16 -9.678 -9.858 5.668 1.00 0.00 N ATOM 239 CA VAL A 16 -9.549 -11.264 5.242 1.00 0.00 C ATOM 240 C VAL A 16 -8.160 -11.834 5.578 1.00 0.00 C ATOM 241 O VAL A 16 -8.072 -12.835 6.244 1.00 0.00 O ATOM 242 CB VAL A 16 -9.866 -11.331 3.742 1.00 0.00 C ATOM 243 CG1 VAL A 16 -9.347 -12.631 3.137 1.00 0.00 C ATOM 244 CG2 VAL A 16 -11.382 -11.269 3.556 1.00 0.00 C ATOM 0 H VAL A 16 -9.742 -9.178 4.910 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.255 -11.890 5.788 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.381 -10.493 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.583 -12.657 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.267 -12.689 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.820 -13.478 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.620 -11.316 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.846 -12.111 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.762 -10.336 3.972 1.00 0.00 H new ATOM 254 N ILE A 17 -7.075 -11.249 5.125 1.00 0.00 N ATOM 255 CA ILE A 17 -5.737 -11.859 5.462 1.00 0.00 C ATOM 256 C ILE A 17 -5.697 -12.106 6.972 1.00 0.00 C ATOM 257 O ILE A 17 -5.266 -13.142 7.435 1.00 0.00 O ATOM 258 CB ILE A 17 -4.556 -10.934 5.033 1.00 0.00 C ATOM 259 CG1 ILE A 17 -5.101 -9.705 4.302 1.00 0.00 C ATOM 260 CG2 ILE A 17 -3.602 -11.685 4.094 1.00 0.00 C ATOM 261 CD1 ILE A 17 -3.950 -8.794 3.846 1.00 0.00 C ATOM 0 H ILE A 17 -7.050 -10.404 4.555 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.621 -12.795 4.915 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.016 -10.627 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.688 -10.019 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.772 -9.152 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.784 -11.026 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.200 -12.559 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.144 -12.004 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.357 -7.925 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.381 -8.465 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.295 -9.345 3.171 1.00 0.00 H new ATOM 273 N GLU A 18 -6.176 -11.167 7.732 1.00 0.00 N ATOM 274 CA GLU A 18 -6.206 -11.347 9.204 1.00 0.00 C ATOM 275 C GLU A 18 -7.112 -12.538 9.533 1.00 0.00 C ATOM 276 O GLU A 18 -6.978 -13.165 10.566 1.00 0.00 O ATOM 277 CB GLU A 18 -6.783 -10.082 9.858 1.00 0.00 C ATOM 278 CG GLU A 18 -5.862 -8.868 9.601 1.00 0.00 C ATOM 279 CD GLU A 18 -4.818 -8.754 10.717 1.00 0.00 C ATOM 280 OE1 GLU A 18 -4.334 -9.784 11.158 1.00 0.00 O ATOM 281 OE2 GLU A 18 -4.520 -7.638 11.110 1.00 0.00 O ATOM 0 H GLU A 18 -6.549 -10.279 7.395 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.198 -11.525 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.778 -9.881 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.895 -10.240 10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.365 -8.976 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.456 -7.955 9.553 1.00 0.00 H new ATOM 288 N LYS A 19 -8.062 -12.831 8.668 1.00 0.00 N ATOM 289 CA LYS A 19 -9.020 -13.957 8.922 1.00 0.00 C ATOM 290 C LYS A 19 -9.081 -14.891 7.701 1.00 0.00 C ATOM 291 O LYS A 19 -10.111 -15.464 7.401 1.00 0.00 O ATOM 292 CB LYS A 19 -10.412 -13.350 9.163 1.00 0.00 C ATOM 293 CG LYS A 19 -10.386 -12.425 10.401 1.00 0.00 C ATOM 294 CD LYS A 19 -11.450 -11.320 10.276 1.00 0.00 C ATOM 295 CE LYS A 19 -12.824 -11.944 10.019 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.084 -13.008 11.030 1.00 0.00 N ATOM 0 H LYS A 19 -8.213 -12.333 7.791 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.692 -14.534 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.727 -12.786 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.143 -14.145 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.567 -13.010 11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.398 -11.976 10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.477 -10.724 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.190 -10.644 9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.599 -11.179 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.862 -12.365 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.108 -13.088 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.717 -13.916 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.609 -12.763 11.922 1.00 0.00 H new ATOM 310 N ALA A 20 -7.997 -15.035 6.984 1.00 0.00 N ATOM 311 CA ALA A 20 -8.003 -15.914 5.773 1.00 0.00 C ATOM 312 C ALA A 20 -8.260 -17.374 6.163 1.00 0.00 C ATOM 313 O ALA A 20 -8.530 -18.205 5.322 1.00 0.00 O ATOM 314 CB ALA A 20 -6.651 -15.801 5.063 1.00 0.00 C ATOM 0 H ALA A 20 -7.105 -14.582 7.184 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.802 -15.590 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.649 -16.440 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.483 -14.767 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.857 -16.116 5.740 1.00 0.00 H new ATOM 320 N ASP A 21 -8.165 -17.691 7.424 1.00 0.00 N ATOM 321 CA ASP A 21 -8.391 -19.096 7.876 1.00 0.00 C ATOM 322 C ASP A 21 -7.283 -20.002 7.330 1.00 0.00 C ATOM 323 O ASP A 21 -6.849 -20.931 7.984 1.00 0.00 O ATOM 324 CB ASP A 21 -9.758 -19.587 7.378 1.00 0.00 C ATOM 325 CG ASP A 21 -10.771 -18.445 7.465 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.269 -18.203 8.551 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.033 -17.832 6.442 1.00 0.00 O ATOM 0 H ASP A 21 -7.938 -17.032 8.169 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.374 -19.129 8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.678 -19.939 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.094 -20.432 7.979 1.00 0.00 H new ATOM 332 N ASN A 22 -6.819 -19.737 6.141 1.00 0.00 N ATOM 333 CA ASN A 22 -5.732 -20.580 5.551 1.00 0.00 C ATOM 334 C ASN A 22 -4.920 -19.751 4.550 1.00 0.00 C ATOM 335 O ASN A 22 -5.425 -18.829 3.939 1.00 0.00 O ATOM 336 CB ASN A 22 -6.345 -21.788 4.836 1.00 0.00 C ATOM 337 CG ASN A 22 -7.502 -22.342 5.666 1.00 0.00 C ATOM 338 OD1 ASN A 22 -8.712 -21.916 5.433 1.00 0.00 O flip ATOM 339 ND2 ASN A 22 -7.304 -23.168 6.534 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.143 -18.973 5.548 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.076 -20.927 6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.700 -21.497 3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.588 -22.559 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.357 -23.500 6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.085 -23.529 7.082 1.00 0.00 H new ATOM 346 N ALA A 23 -3.668 -20.076 4.369 1.00 0.00 N ATOM 347 CA ALA A 23 -2.834 -19.313 3.401 1.00 0.00 C ATOM 348 C ALA A 23 -3.545 -19.274 2.046 1.00 0.00 C ATOM 349 O ALA A 23 -3.201 -18.507 1.179 1.00 0.00 O ATOM 350 CB ALA A 23 -1.465 -19.995 3.250 1.00 0.00 C ATOM 0 H ALA A 23 -3.188 -20.837 4.850 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.687 -18.296 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.856 -19.435 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.963 -20.022 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.604 -21.013 2.885 1.00 0.00 H new ATOM 356 N ALA A 24 -4.529 -20.103 1.852 1.00 0.00 N ATOM 357 CA ALA A 24 -5.246 -20.103 0.546 1.00 0.00 C ATOM 358 C ALA A 24 -6.009 -18.786 0.366 1.00 0.00 C ATOM 359 O ALA A 24 -5.795 -18.059 -0.587 1.00 0.00 O ATOM 360 CB ALA A 24 -6.229 -21.274 0.501 1.00 0.00 C ATOM 0 H ALA A 24 -4.868 -20.779 2.537 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.519 -20.206 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.753 -21.273 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.684 -22.211 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.952 -21.174 1.311 1.00 0.00 H new ATOM 366 N GLN A 25 -6.910 -18.469 1.262 1.00 0.00 N ATOM 367 CA GLN A 25 -7.680 -17.203 1.109 1.00 0.00 C ATOM 368 C GLN A 25 -6.740 -16.003 1.245 1.00 0.00 C ATOM 369 O GLN A 25 -7.093 -14.892 0.904 1.00 0.00 O ATOM 370 CB GLN A 25 -8.778 -17.122 2.180 1.00 0.00 C ATOM 371 CG GLN A 25 -9.943 -18.107 1.855 1.00 0.00 C ATOM 372 CD GLN A 25 -10.106 -19.142 2.978 1.00 0.00 C ATOM 373 OE1 GLN A 25 -10.712 -18.864 3.993 1.00 0.00 O ATOM 374 NE2 GLN A 25 -9.586 -20.330 2.832 1.00 0.00 N ATOM 0 H GLN A 25 -7.142 -19.027 2.084 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.142 -17.189 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.357 -17.359 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.162 -16.104 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.872 -17.551 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.744 -18.615 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.077 -20.563 1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.688 -21.026 3.571 1.00 0.00 H new ATOM 383 N VAL A 26 -5.539 -16.212 1.712 1.00 0.00 N ATOM 384 CA VAL A 26 -4.597 -15.075 1.828 1.00 0.00 C ATOM 385 C VAL A 26 -4.193 -14.669 0.407 1.00 0.00 C ATOM 386 O VAL A 26 -4.209 -13.507 0.052 1.00 0.00 O ATOM 387 CB VAL A 26 -3.360 -15.521 2.629 1.00 0.00 C ATOM 388 CG1 VAL A 26 -2.208 -14.545 2.399 1.00 0.00 C ATOM 389 CG2 VAL A 26 -3.684 -15.585 4.130 1.00 0.00 C ATOM 0 H VAL A 26 -5.176 -17.116 2.015 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.056 -14.232 2.345 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.069 -16.514 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.337 -14.869 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.958 -14.521 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.505 -13.548 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.798 -15.902 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.994 -14.599 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.490 -16.299 4.298 1.00 0.00 H new ATOM 399 N LYS A 27 -3.847 -15.626 -0.410 1.00 0.00 N ATOM 400 CA LYS A 27 -3.459 -15.310 -1.812 1.00 0.00 C ATOM 401 C LYS A 27 -4.584 -14.519 -2.470 1.00 0.00 C ATOM 402 O LYS A 27 -4.365 -13.546 -3.165 1.00 0.00 O ATOM 403 CB LYS A 27 -3.243 -16.606 -2.597 1.00 0.00 C ATOM 404 CG LYS A 27 -2.252 -17.501 -1.855 1.00 0.00 C ATOM 405 CD LYS A 27 -2.213 -18.898 -2.495 1.00 0.00 C ATOM 406 CE LYS A 27 -2.049 -18.787 -4.015 1.00 0.00 C ATOM 407 NZ LYS A 27 -1.557 -20.084 -4.557 1.00 0.00 N ATOM 0 H LYS A 27 -3.817 -16.616 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.537 -14.729 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.192 -17.127 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.866 -16.379 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.258 -17.054 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.539 -17.582 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.388 -19.474 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.131 -19.438 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.001 -18.526 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.347 -17.989 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.446 -20.009 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.639 -20.315 -4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.242 -20.835 -4.336 1.00 0.00 H new ATOM 421 N ASP A 28 -5.790 -14.948 -2.249 1.00 0.00 N ATOM 422 CA ASP A 28 -6.966 -14.257 -2.842 1.00 0.00 C ATOM 423 C ASP A 28 -7.024 -12.825 -2.322 1.00 0.00 C ATOM 424 O ASP A 28 -6.962 -11.880 -3.074 1.00 0.00 O ATOM 425 CB ASP A 28 -8.240 -15.028 -2.432 1.00 0.00 C ATOM 426 CG ASP A 28 -9.220 -15.120 -3.609 1.00 0.00 C ATOM 427 OD1 ASP A 28 -8.788 -15.496 -4.686 1.00 0.00 O ATOM 428 OD2 ASP A 28 -10.384 -14.812 -3.411 1.00 0.00 O ATOM 0 H ASP A 28 -6.016 -15.760 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.888 -14.231 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.973 -16.030 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.720 -14.527 -1.591 1.00 0.00 H new ATOM 433 N ALA A 29 -7.151 -12.672 -1.041 1.00 0.00 N ATOM 434 CA ALA A 29 -7.242 -11.307 -0.446 1.00 0.00 C ATOM 435 C ALA A 29 -6.201 -10.373 -1.077 1.00 0.00 C ATOM 436 O ALA A 29 -6.515 -9.284 -1.517 1.00 0.00 O ATOM 437 CB ALA A 29 -6.995 -11.416 1.072 1.00 0.00 C ATOM 0 H ALA A 29 -7.197 -13.438 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.232 -10.892 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.058 -10.426 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.748 -12.066 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.004 -11.833 1.250 1.00 0.00 H new ATOM 443 N LEU A 30 -4.965 -10.776 -1.097 1.00 0.00 N ATOM 444 CA LEU A 30 -3.911 -9.895 -1.665 1.00 0.00 C ATOM 445 C LEU A 30 -4.208 -9.580 -3.136 1.00 0.00 C ATOM 446 O LEU A 30 -3.915 -8.504 -3.615 1.00 0.00 O ATOM 447 CB LEU A 30 -2.552 -10.589 -1.513 1.00 0.00 C ATOM 448 CG LEU A 30 -2.053 -10.424 -0.053 1.00 0.00 C ATOM 449 CD1 LEU A 30 -1.109 -11.568 0.325 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.297 -9.094 0.095 1.00 0.00 C ATOM 0 H LEU A 30 -4.638 -11.676 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.892 -8.948 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.641 -11.646 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.831 -10.158 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.921 -10.437 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.769 -11.435 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.635 -12.518 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.249 -11.566 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.950 -8.985 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.441 -9.085 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.963 -8.267 -0.152 1.00 0.00 H new ATOM 462 N THR A 31 -4.802 -10.480 -3.859 1.00 0.00 N ATOM 463 CA THR A 31 -5.120 -10.170 -5.272 1.00 0.00 C ATOM 464 C THR A 31 -6.176 -9.050 -5.288 1.00 0.00 C ATOM 465 O THR A 31 -6.216 -8.218 -6.179 1.00 0.00 O ATOM 466 CB THR A 31 -5.641 -11.442 -5.957 1.00 0.00 C ATOM 467 OG1 THR A 31 -4.539 -12.271 -6.298 1.00 0.00 O ATOM 468 CG2 THR A 31 -6.414 -11.085 -7.223 1.00 0.00 C ATOM 0 H THR A 31 -5.078 -11.407 -3.537 1.00 0.00 H new ATOM 0 HA THR A 31 -4.237 -9.832 -5.814 1.00 0.00 H new ATOM 0 HB THR A 31 -6.308 -11.967 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.865 -13.086 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.777 -11.997 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.261 -10.449 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.758 -10.554 -7.912 1.00 0.00 H new ATOM 476 N LYS A 32 -7.015 -9.003 -4.284 1.00 0.00 N ATOM 477 CA LYS A 32 -8.037 -7.921 -4.228 1.00 0.00 C ATOM 478 C LYS A 32 -7.289 -6.622 -3.953 1.00 0.00 C ATOM 479 O LYS A 32 -7.562 -5.595 -4.542 1.00 0.00 O ATOM 480 CB LYS A 32 -9.090 -8.183 -3.122 1.00 0.00 C ATOM 481 CG LYS A 32 -9.361 -9.692 -2.954 1.00 0.00 C ATOM 482 CD LYS A 32 -10.106 -10.274 -4.188 1.00 0.00 C ATOM 483 CE LYS A 32 -9.618 -11.709 -4.513 1.00 0.00 C ATOM 484 NZ LYS A 32 -10.767 -12.515 -5.020 1.00 0.00 N ATOM 0 H LYS A 32 -7.035 -9.663 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.584 -7.874 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.740 -7.767 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.019 -7.670 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.417 -10.220 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.956 -9.859 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.179 -10.287 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.945 -9.628 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.824 -11.676 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.198 -12.174 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.857 -13.384 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.643 -11.959 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.604 -12.764 -6.016 1.00 0.00 H new ATOM 498 N MET A 33 -6.318 -6.672 -3.079 1.00 0.00 N ATOM 499 CA MET A 33 -5.523 -5.457 -2.789 1.00 0.00 C ATOM 500 C MET A 33 -4.981 -4.928 -4.114 1.00 0.00 C ATOM 501 O MET A 33 -5.155 -3.783 -4.427 1.00 0.00 O ATOM 502 CB MET A 33 -4.352 -5.829 -1.859 1.00 0.00 C ATOM 503 CG MET A 33 -4.710 -5.626 -0.364 1.00 0.00 C ATOM 504 SD MET A 33 -3.355 -4.763 0.474 1.00 0.00 S ATOM 505 CE MET A 33 -3.659 -3.120 -0.235 1.00 0.00 C ATOM 0 H MET A 33 -6.046 -7.505 -2.557 1.00 0.00 H new ATOM 0 HA MET A 33 -6.136 -4.699 -2.301 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.072 -6.869 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.483 -5.221 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.631 -5.050 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.890 -6.590 0.111 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.720 -2.570 -0.294 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.080 -3.227 -1.235 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.360 -2.575 0.397 1.00 0.00 H new ATOM 515 N ARG A 34 -4.339 -5.763 -4.898 1.00 0.00 N ATOM 516 CA ARG A 34 -3.798 -5.309 -6.222 1.00 0.00 C ATOM 517 C ARG A 34 -4.780 -4.319 -6.856 1.00 0.00 C ATOM 518 O ARG A 34 -4.419 -3.238 -7.277 1.00 0.00 O ATOM 519 CB ARG A 34 -3.666 -6.551 -7.129 1.00 0.00 C ATOM 520 CG ARG A 34 -2.194 -6.842 -7.451 1.00 0.00 C ATOM 521 CD ARG A 34 -1.430 -7.282 -6.186 1.00 0.00 C ATOM 522 NE ARG A 34 -0.705 -6.111 -5.607 1.00 0.00 N ATOM 523 CZ ARG A 34 0.271 -5.547 -6.270 1.00 0.00 C ATOM 524 NH1 ARG A 34 0.614 -6.000 -7.445 1.00 0.00 N ATOM 525 NH2 ARG A 34 0.914 -4.541 -5.748 1.00 0.00 N ATOM 0 H ARG A 34 -4.165 -6.744 -4.677 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.831 -4.822 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.112 -7.415 -6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.220 -6.391 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.131 -7.623 -8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.727 -5.952 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.125 -7.691 -5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.724 -8.075 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.972 -5.750 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.120 -6.796 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.376 -5.558 -7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.656 -4.195 -4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.676 -4.100 -6.263 1.00 0.00 H new ATOM 539 N ALA A 35 -6.024 -4.694 -6.906 1.00 0.00 N ATOM 540 CA ALA A 35 -7.048 -3.788 -7.493 1.00 0.00 C ATOM 541 C ALA A 35 -7.207 -2.554 -6.596 1.00 0.00 C ATOM 542 O ALA A 35 -7.067 -1.431 -7.038 1.00 0.00 O ATOM 543 CB ALA A 35 -8.377 -4.534 -7.593 1.00 0.00 C ATOM 0 H ALA A 35 -6.378 -5.588 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.737 -3.469 -8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.132 -3.876 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.255 -5.411 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.693 -4.849 -6.599 1.00 0.00 H new ATOM 549 N ALA A 36 -7.500 -2.761 -5.340 1.00 0.00 N ATOM 550 CA ALA A 36 -7.676 -1.611 -4.401 1.00 0.00 C ATOM 551 C ALA A 36 -6.341 -0.874 -4.208 1.00 0.00 C ATOM 552 O ALA A 36 -6.306 0.272 -3.805 1.00 0.00 O ATOM 553 CB ALA A 36 -8.172 -2.145 -3.047 1.00 0.00 C ATOM 0 H ALA A 36 -7.626 -3.682 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.403 -0.913 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.304 -1.314 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.124 -2.657 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.440 -2.843 -2.641 1.00 0.00 H new ATOM 559 N ALA A 37 -5.244 -1.528 -4.478 1.00 0.00 N ATOM 560 CA ALA A 37 -3.913 -0.888 -4.296 1.00 0.00 C ATOM 561 C ALA A 37 -3.777 0.311 -5.235 1.00 0.00 C ATOM 562 O ALA A 37 -3.751 1.455 -4.813 1.00 0.00 O ATOM 563 CB ALA A 37 -2.825 -1.925 -4.608 1.00 0.00 C ATOM 0 H ALA A 37 -5.215 -2.488 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.807 -0.537 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.842 -1.471 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.925 -2.773 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.934 -2.268 -5.637 1.00 0.00 H new ATOM 569 N LEU A 38 -3.675 0.060 -6.504 1.00 0.00 N ATOM 570 CA LEU A 38 -3.521 1.186 -7.459 1.00 0.00 C ATOM 571 C LEU A 38 -4.788 2.036 -7.450 1.00 0.00 C ATOM 572 O LEU A 38 -4.778 3.189 -7.839 1.00 0.00 O ATOM 573 CB LEU A 38 -3.277 0.667 -8.871 1.00 0.00 C ATOM 574 CG LEU A 38 -2.111 -0.342 -8.877 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.215 -1.244 -10.110 1.00 0.00 C ATOM 576 CD2 LEU A 38 -0.773 0.407 -8.910 1.00 0.00 C ATOM 0 H LEU A 38 -3.691 -0.871 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.664 1.786 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.181 0.191 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.050 1.499 -9.537 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.164 -0.950 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.389 -1.956 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.161 -1.785 -10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.169 -0.634 -11.012 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.046 -0.312 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.722 1.021 -9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.691 1.045 -8.030 1.00 0.00 H new ATOM 588 N ASP A 39 -5.877 1.493 -6.987 1.00 0.00 N ATOM 589 CA ASP A 39 -7.118 2.305 -6.942 1.00 0.00 C ATOM 590 C ASP A 39 -6.830 3.472 -6.017 1.00 0.00 C ATOM 591 O ASP A 39 -7.175 4.604 -6.291 1.00 0.00 O ATOM 592 CB ASP A 39 -8.276 1.479 -6.379 1.00 0.00 C ATOM 593 CG ASP A 39 -9.588 2.246 -6.562 1.00 0.00 C ATOM 594 OD1 ASP A 39 -9.527 3.452 -6.735 1.00 0.00 O ATOM 595 OD2 ASP A 39 -10.630 1.613 -6.526 1.00 0.00 O ATOM 0 H ASP A 39 -5.960 0.536 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.402 2.640 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.331 0.517 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.108 1.271 -5.322 1.00 0.00 H new ATOM 600 N ALA A 40 -6.151 3.206 -4.937 1.00 0.00 N ATOM 601 CA ALA A 40 -5.789 4.303 -4.018 1.00 0.00 C ATOM 602 C ALA A 40 -4.967 5.311 -4.817 1.00 0.00 C ATOM 603 O ALA A 40 -5.084 6.502 -4.626 1.00 0.00 O ATOM 604 CB ALA A 40 -4.976 3.757 -2.846 1.00 0.00 C ATOM 0 H ALA A 40 -5.835 2.277 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.681 4.778 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.714 4.574 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.568 3.018 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.066 3.289 -3.221 1.00 0.00 H new ATOM 610 N GLN A 41 -4.150 4.839 -5.741 1.00 0.00 N ATOM 611 CA GLN A 41 -3.341 5.785 -6.580 1.00 0.00 C ATOM 612 C GLN A 41 -4.276 6.900 -7.062 1.00 0.00 C ATOM 613 O GLN A 41 -3.924 8.064 -7.090 1.00 0.00 O ATOM 614 CB GLN A 41 -2.756 5.050 -7.814 1.00 0.00 C ATOM 615 CG GLN A 41 -1.509 5.784 -8.351 1.00 0.00 C ATOM 616 CD GLN A 41 -1.752 7.298 -8.375 1.00 0.00 C ATOM 617 OE1 GLN A 41 -2.527 7.810 -9.293 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 -1.230 8.022 -7.549 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.012 3.849 -5.946 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.517 6.187 -5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.493 4.028 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.512 4.987 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.647 5.557 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.275 5.430 -9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.624 7.623 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.398 9.028 -7.574 1.00 0.00 H new ATOM 627 N LYS A 42 -5.468 6.532 -7.450 1.00 0.00 N ATOM 628 CA LYS A 42 -6.451 7.541 -7.947 1.00 0.00 C ATOM 629 C LYS A 42 -7.237 8.157 -6.773 1.00 0.00 C ATOM 630 O LYS A 42 -8.023 9.066 -6.959 1.00 0.00 O ATOM 631 CB LYS A 42 -7.437 6.864 -8.919 1.00 0.00 C ATOM 632 CG LYS A 42 -6.735 5.753 -9.695 1.00 0.00 C ATOM 633 CD LYS A 42 -5.581 6.368 -10.494 1.00 0.00 C ATOM 634 CE LYS A 42 -5.132 5.421 -11.604 1.00 0.00 C ATOM 635 NZ LYS A 42 -4.202 4.400 -11.045 1.00 0.00 N ATOM 0 H LYS A 42 -5.806 5.570 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.906 8.333 -8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.281 6.453 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.840 7.602 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.358 4.993 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.437 5.258 -10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.896 7.319 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.744 6.581 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.998 4.933 -12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.638 5.982 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.991 3.687 -11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.319 4.861 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.646 3.937 -10.226 1.00 0.00 H new ATOM 649 N ALA A 43 -7.039 7.680 -5.571 1.00 0.00 N ATOM 650 CA ALA A 43 -7.780 8.249 -4.410 1.00 0.00 C ATOM 651 C ALA A 43 -7.076 7.835 -3.122 1.00 0.00 C ATOM 652 O ALA A 43 -7.319 6.776 -2.578 1.00 0.00 O ATOM 653 CB ALA A 43 -9.212 7.720 -4.399 1.00 0.00 C ATOM 0 H ALA A 43 -6.396 6.921 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.803 9.336 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.748 8.140 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.714 8.009 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.198 6.633 -4.319 1.00 0.00 H new ATOM 659 N THR A 44 -6.194 8.662 -2.643 1.00 0.00 N ATOM 660 CA THR A 44 -5.437 8.345 -1.396 1.00 0.00 C ATOM 661 C THR A 44 -5.415 9.600 -0.515 1.00 0.00 C ATOM 662 O THR A 44 -5.553 10.697 -1.012 1.00 0.00 O ATOM 663 CB THR A 44 -4.017 7.920 -1.812 1.00 0.00 C ATOM 664 OG1 THR A 44 -3.116 8.079 -0.732 1.00 0.00 O ATOM 665 CG2 THR A 44 -3.524 8.764 -3.003 1.00 0.00 C ATOM 0 H THR A 44 -5.959 9.560 -3.067 1.00 0.00 H new ATOM 0 HA THR A 44 -5.897 7.537 -0.827 1.00 0.00 H new ATOM 0 HB THR A 44 -4.055 6.870 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.199 8.117 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.519 8.448 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.196 8.625 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.508 9.817 -2.721 1.00 0.00 H new ATOM 673 N PRO A 45 -5.269 9.457 0.784 1.00 0.00 N ATOM 674 CA PRO A 45 -5.257 10.611 1.722 1.00 0.00 C ATOM 675 C PRO A 45 -4.696 11.919 1.124 1.00 0.00 C ATOM 676 O PRO A 45 -5.250 12.974 1.360 1.00 0.00 O ATOM 677 CB PRO A 45 -4.427 10.078 2.895 1.00 0.00 C ATOM 678 CG PRO A 45 -4.834 8.641 2.978 1.00 0.00 C ATOM 679 CD PRO A 45 -5.100 8.188 1.528 1.00 0.00 C ATOM 0 HA PRO A 45 -6.263 10.921 2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.358 10.184 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.647 10.613 3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.049 8.039 3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.726 8.523 3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.270 7.601 1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.991 7.564 1.461 1.00 0.00 H new ATOM 687 N PRO A 46 -3.631 11.885 0.351 1.00 0.00 N ATOM 688 CA PRO A 46 -3.046 13.102 -0.270 1.00 0.00 C ATOM 689 C PRO A 46 -3.549 13.313 -1.706 1.00 0.00 C ATOM 690 O PRO A 46 -3.196 14.273 -2.360 1.00 0.00 O ATOM 691 CB PRO A 46 -1.529 12.799 -0.246 1.00 0.00 C ATOM 692 CG PRO A 46 -1.418 11.322 0.077 1.00 0.00 C ATOM 693 CD PRO A 46 -2.823 10.738 -0.035 1.00 0.00 C ATOM 0 HA PRO A 46 -3.317 14.019 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.068 13.027 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.019 13.404 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.737 10.826 -0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.017 11.175 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.048 10.396 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.970 9.887 0.630 1.00 0.00 H new ATOM 701 N LYS A 47 -4.370 12.412 -2.184 1.00 0.00 N ATOM 702 CA LYS A 47 -4.919 12.507 -3.572 1.00 0.00 C ATOM 703 C LYS A 47 -3.850 13.048 -4.531 1.00 0.00 C ATOM 704 O LYS A 47 -4.169 13.638 -5.540 1.00 0.00 O ATOM 705 CB LYS A 47 -6.183 13.415 -3.617 1.00 0.00 C ATOM 706 CG LYS A 47 -6.775 13.621 -2.202 1.00 0.00 C ATOM 707 CD LYS A 47 -6.121 14.840 -1.473 1.00 0.00 C ATOM 708 CE LYS A 47 -7.205 15.784 -0.943 1.00 0.00 C ATOM 709 NZ LYS A 47 -8.184 15.005 -0.132 1.00 0.00 N ATOM 0 H LYS A 47 -4.689 11.598 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.208 11.505 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.925 14.381 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.934 12.965 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.851 13.777 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.624 12.719 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.499 14.489 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.467 15.376 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.755 16.569 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.713 16.276 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.535 15.595 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.982 14.717 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.719 14.159 0.254 1.00 0.00 H new ATOM 723 N LEU A 48 -2.591 12.853 -4.210 1.00 0.00 N ATOM 724 CA LEU A 48 -1.483 13.365 -5.081 1.00 0.00 C ATOM 725 C LEU A 48 -1.844 14.764 -5.583 1.00 0.00 C ATOM 726 O LEU A 48 -1.528 15.753 -4.951 1.00 0.00 O ATOM 727 CB LEU A 48 -1.274 12.388 -6.261 1.00 0.00 C ATOM 728 CG LEU A 48 0.007 12.693 -7.086 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.180 13.928 -7.979 1.00 0.00 C ATOM 730 CD2 LEU A 48 1.221 12.906 -6.168 1.00 0.00 C ATOM 0 H LEU A 48 -2.282 12.357 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.553 13.430 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.217 11.370 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.142 12.432 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 48 0.188 11.826 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.735 14.112 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.003 13.755 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.405 14.795 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.102 13.118 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.029 13.746 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.394 12.006 -5.578 1.00 0.00 H new ATOM 742 N GLU A 49 -2.519 14.871 -6.694 1.00 0.00 N ATOM 743 CA GLU A 49 -2.897 16.224 -7.172 1.00 0.00 C ATOM 744 C GLU A 49 -3.934 16.796 -6.201 1.00 0.00 C ATOM 745 O GLU A 49 -5.112 16.516 -6.281 1.00 0.00 O ATOM 746 CB GLU A 49 -3.458 16.189 -8.613 1.00 0.00 C ATOM 747 CG GLU A 49 -4.145 14.850 -8.930 1.00 0.00 C ATOM 748 CD GLU A 49 -5.422 14.700 -8.102 1.00 0.00 C ATOM 749 OE1 GLU A 49 -6.241 15.604 -8.146 1.00 0.00 O ATOM 750 OE2 GLU A 49 -5.564 13.683 -7.446 1.00 0.00 O ATOM 0 H GLU A 49 -2.820 14.093 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.010 16.857 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.171 17.003 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.648 16.358 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.384 14.799 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.465 14.025 -8.716 1.00 0.00 H new ATOM 757 N ASP A 50 -3.491 17.603 -5.284 1.00 0.00 N ATOM 758 CA ASP A 50 -4.425 18.217 -4.289 1.00 0.00 C ATOM 759 C ASP A 50 -4.841 19.589 -4.828 1.00 0.00 C ATOM 760 O ASP A 50 -5.481 20.371 -4.155 1.00 0.00 O ATOM 761 CB ASP A 50 -3.714 18.363 -2.914 1.00 0.00 C ATOM 762 CG ASP A 50 -2.216 18.068 -3.052 1.00 0.00 C ATOM 763 OD1 ASP A 50 -1.520 18.885 -3.631 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.792 17.028 -2.574 1.00 0.00 O ATOM 0 H ASP A 50 -2.513 17.870 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.304 17.588 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.858 19.372 -2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.161 17.679 -2.192 1.00 0.00 H new ATOM 769 N LYS A 51 -4.467 19.877 -6.044 1.00 0.00 N ATOM 770 CA LYS A 51 -4.816 21.189 -6.651 1.00 0.00 C ATOM 771 C LYS A 51 -4.595 21.111 -8.168 1.00 0.00 C ATOM 772 O LYS A 51 -5.504 20.823 -8.919 1.00 0.00 O ATOM 773 CB LYS A 51 -3.927 22.281 -6.036 1.00 0.00 C ATOM 774 CG LYS A 51 -2.430 21.849 -6.055 1.00 0.00 C ATOM 775 CD LYS A 51 -1.847 21.850 -4.634 1.00 0.00 C ATOM 776 CE LYS A 51 -0.334 21.626 -4.704 1.00 0.00 C ATOM 777 NZ LYS A 51 0.256 21.775 -3.343 1.00 0.00 N ATOM 0 H LYS A 51 -3.930 19.253 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.860 21.432 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.049 23.211 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.241 22.478 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.339 20.854 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.858 22.527 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.063 22.798 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.314 21.067 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.121 20.632 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.119 22.343 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.284 21.623 -3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.064 22.732 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.168 21.074 -2.702 1.00 0.00 H new ATOM 791 N SER A 52 -3.394 21.357 -8.626 1.00 0.00 N ATOM 792 CA SER A 52 -3.123 21.287 -10.085 1.00 0.00 C ATOM 793 C SER A 52 -1.614 21.413 -10.332 1.00 0.00 C ATOM 794 O SER A 52 -1.150 22.413 -10.843 1.00 0.00 O ATOM 795 CB SER A 52 -3.845 22.437 -10.783 1.00 0.00 C ATOM 796 OG SER A 52 -5.235 22.147 -10.854 1.00 0.00 O ATOM 0 H SER A 52 -2.591 21.603 -8.048 1.00 0.00 H new ATOM 0 HA SER A 52 -3.477 20.334 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.684 23.367 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.440 22.581 -11.785 1.00 0.00 H new ATOM 0 HG SER A 52 -5.423 21.321 -10.360 1.00 0.00 H new ATOM 802 N PRO A 53 -0.849 20.409 -9.974 1.00 0.00 N ATOM 803 CA PRO A 53 0.629 20.429 -10.171 1.00 0.00 C ATOM 804 C PRO A 53 0.986 20.332 -11.652 1.00 0.00 C ATOM 805 O PRO A 53 1.339 21.305 -12.288 1.00 0.00 O ATOM 806 CB PRO A 53 1.128 19.185 -9.412 1.00 0.00 C ATOM 807 CG PRO A 53 -0.053 18.265 -9.333 1.00 0.00 C ATOM 808 CD PRO A 53 -1.306 19.152 -9.350 1.00 0.00 C ATOM 0 HA PRO A 53 1.082 21.353 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.959 18.713 -9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.487 19.450 -8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.059 17.570 -10.173 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.016 17.665 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.112 18.693 -9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.687 19.322 -8.343 1.00 0.00 H new ATOM 816 N ASP A 54 0.886 19.153 -12.193 1.00 0.00 N ATOM 817 CA ASP A 54 1.200 18.938 -13.629 1.00 0.00 C ATOM 818 C ASP A 54 0.104 18.049 -14.227 1.00 0.00 C ATOM 819 O ASP A 54 -0.526 18.417 -15.197 1.00 0.00 O ATOM 820 CB ASP A 54 2.568 18.261 -13.731 1.00 0.00 C ATOM 821 CG ASP A 54 3.651 19.230 -13.249 1.00 0.00 C ATOM 822 OD1 ASP A 54 3.412 20.426 -13.297 1.00 0.00 O ATOM 823 OD2 ASP A 54 4.700 18.760 -12.841 1.00 0.00 O ATOM 0 H ASP A 54 0.595 18.314 -11.691 1.00 0.00 H new ATOM 0 HA ASP A 54 1.235 19.880 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.583 17.353 -13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.763 17.963 -14.761 1.00 0.00 H new ATOM 828 N SER A 55 -0.127 16.896 -13.621 1.00 0.00 N ATOM 829 CA SER A 55 -1.192 15.917 -14.058 1.00 0.00 C ATOM 830 C SER A 55 -0.588 14.595 -14.592 1.00 0.00 C ATOM 831 O SER A 55 -1.057 13.542 -14.209 1.00 0.00 O ATOM 832 CB SER A 55 -2.210 16.521 -15.050 1.00 0.00 C ATOM 833 OG SER A 55 -1.636 16.680 -16.337 1.00 0.00 O ATOM 0 H SER A 55 0.402 16.582 -12.808 1.00 0.00 H new ATOM 0 HA SER A 55 -1.755 15.678 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.085 15.875 -15.116 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.554 17.487 -14.680 1.00 0.00 H new ATOM 0 HG SER A 55 -1.363 17.613 -16.460 1.00 0.00 H new ATOM 839 N PRO A 56 0.445 14.587 -15.421 1.00 0.00 N ATOM 840 CA PRO A 56 1.048 13.308 -15.889 1.00 0.00 C ATOM 841 C PRO A 56 1.988 12.760 -14.809 1.00 0.00 C ATOM 842 O PRO A 56 2.095 11.568 -14.595 1.00 0.00 O ATOM 843 CB PRO A 56 1.831 13.699 -17.170 1.00 0.00 C ATOM 844 CG PRO A 56 1.572 15.165 -17.376 1.00 0.00 C ATOM 845 CD PRO A 56 1.168 15.713 -16.013 1.00 0.00 C ATOM 0 HA PRO A 56 0.311 12.530 -16.088 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.897 13.503 -17.052 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.493 13.118 -18.028 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.462 15.670 -17.752 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.782 15.323 -18.110 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.035 15.997 -15.417 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.538 16.598 -16.102 1.00 0.00 H new ATOM 853 N GLU A 57 2.660 13.648 -14.123 1.00 0.00 N ATOM 854 CA GLU A 57 3.595 13.235 -13.039 1.00 0.00 C ATOM 855 C GLU A 57 2.821 12.436 -11.988 1.00 0.00 C ATOM 856 O GLU A 57 3.389 11.886 -11.065 1.00 0.00 O ATOM 857 CB GLU A 57 4.202 14.490 -12.396 1.00 0.00 C ATOM 858 CG GLU A 57 5.467 14.120 -11.614 1.00 0.00 C ATOM 859 CD GLU A 57 6.579 13.741 -12.593 1.00 0.00 C ATOM 860 OE1 GLU A 57 6.499 14.152 -13.738 1.00 0.00 O ATOM 861 OE2 GLU A 57 7.493 13.047 -12.179 1.00 0.00 O ATOM 0 H GLU A 57 2.598 14.655 -14.272 1.00 0.00 H new ATOM 0 HA GLU A 57 4.393 12.616 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.442 15.223 -13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.475 14.955 -11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.783 14.960 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.261 13.288 -10.941 1.00 0.00 H new ATOM 868 N MET A 58 1.526 12.377 -12.114 1.00 0.00 N ATOM 869 CA MET A 58 0.721 11.626 -11.115 1.00 0.00 C ATOM 870 C MET A 58 1.066 10.135 -11.206 1.00 0.00 C ATOM 871 O MET A 58 1.369 9.504 -10.212 1.00 0.00 O ATOM 872 CB MET A 58 -0.772 11.853 -11.398 1.00 0.00 C ATOM 873 CG MET A 58 -1.621 10.828 -10.634 1.00 0.00 C ATOM 874 SD MET A 58 -3.316 11.446 -10.478 1.00 0.00 S ATOM 875 CE MET A 58 -4.000 10.632 -11.943 1.00 0.00 C ATOM 0 H MET A 58 0.992 12.815 -12.864 1.00 0.00 H new ATOM 0 HA MET A 58 0.947 11.977 -10.108 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.056 12.863 -11.102 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.963 11.769 -12.468 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.618 9.873 -11.159 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.195 10.650 -9.647 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.056 10.883 -12.039 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.465 10.970 -12.830 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.891 9.552 -11.843 1.00 0.00 H new ATOM 885 N LYS A 59 1.038 9.560 -12.378 1.00 0.00 N ATOM 886 CA LYS A 59 1.383 8.116 -12.481 1.00 0.00 C ATOM 887 C LYS A 59 2.757 7.900 -11.838 1.00 0.00 C ATOM 888 O LYS A 59 3.000 6.903 -11.190 1.00 0.00 O ATOM 889 CB LYS A 59 1.388 7.667 -13.954 1.00 0.00 C ATOM 890 CG LYS A 59 0.676 6.307 -14.075 1.00 0.00 C ATOM 891 CD LYS A 59 -0.852 6.505 -13.975 1.00 0.00 C ATOM 892 CE LYS A 59 -1.433 6.783 -15.359 1.00 0.00 C ATOM 893 NZ LYS A 59 -1.140 5.637 -16.266 1.00 0.00 N ATOM 0 H LYS A 59 0.795 10.020 -13.255 1.00 0.00 H new ATOM 0 HA LYS A 59 0.638 7.516 -11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.886 8.410 -14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.412 7.588 -14.318 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.929 5.837 -15.025 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.017 5.636 -13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.315 5.615 -13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.077 7.334 -13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.510 6.937 -15.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.006 7.700 -15.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.859 5.596 -17.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.200 5.764 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.156 4.751 -15.722 1.00 0.00 H new ATOM 907 N ASP A 60 3.653 8.845 -11.977 1.00 0.00 N ATOM 908 CA ASP A 60 4.985 8.686 -11.329 1.00 0.00 C ATOM 909 C ASP A 60 4.706 8.423 -9.848 1.00 0.00 C ATOM 910 O ASP A 60 5.347 7.611 -9.208 1.00 0.00 O ATOM 911 CB ASP A 60 5.818 9.981 -11.519 1.00 0.00 C ATOM 912 CG ASP A 60 7.040 9.709 -12.408 1.00 0.00 C ATOM 913 OD1 ASP A 60 7.939 9.022 -11.951 1.00 0.00 O ATOM 914 OD2 ASP A 60 7.054 10.194 -13.527 1.00 0.00 O ATOM 0 H ASP A 60 3.520 9.708 -12.504 1.00 0.00 H new ATOM 0 HA ASP A 60 5.558 7.868 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.198 10.756 -11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.143 10.357 -10.549 1.00 0.00 H new ATOM 919 N PHE A 61 3.702 9.066 -9.314 1.00 0.00 N ATOM 920 CA PHE A 61 3.343 8.805 -7.901 1.00 0.00 C ATOM 921 C PHE A 61 3.107 7.300 -7.783 1.00 0.00 C ATOM 922 O PHE A 61 3.457 6.680 -6.798 1.00 0.00 O ATOM 923 CB PHE A 61 2.088 9.616 -7.532 1.00 0.00 C ATOM 924 CG PHE A 61 2.055 9.922 -6.043 1.00 0.00 C ATOM 925 CD1 PHE A 61 3.127 10.599 -5.427 1.00 0.00 C ATOM 926 CD2 PHE A 61 0.937 9.554 -5.279 1.00 0.00 C ATOM 927 CE1 PHE A 61 3.077 10.889 -4.059 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.893 9.851 -3.911 1.00 0.00 C ATOM 929 CZ PHE A 61 1.962 10.516 -3.302 1.00 0.00 C ATOM 0 H PHE A 61 3.123 9.754 -9.795 1.00 0.00 H new ATOM 0 HA PHE A 61 4.130 9.110 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.073 10.547 -8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.195 9.058 -7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.987 10.894 -6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.109 9.041 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.902 11.402 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.032 9.566 -3.325 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.926 10.742 -2.246 1.00 0.00 H new ATOM 939 N ARG A 62 2.578 6.693 -8.823 1.00 0.00 N ATOM 940 CA ARG A 62 2.402 5.214 -8.804 1.00 0.00 C ATOM 941 C ARG A 62 3.762 4.620 -8.468 1.00 0.00 C ATOM 942 O ARG A 62 3.868 3.630 -7.793 1.00 0.00 O ATOM 943 CB ARG A 62 1.946 4.710 -10.185 1.00 0.00 C ATOM 944 CG ARG A 62 1.236 3.351 -10.031 1.00 0.00 C ATOM 945 CD ARG A 62 1.130 2.614 -11.387 1.00 0.00 C ATOM 946 NE ARG A 62 1.815 1.296 -11.281 1.00 0.00 N ATOM 947 CZ ARG A 62 1.666 0.407 -12.222 1.00 0.00 C ATOM 948 NH1 ARG A 62 0.927 0.679 -13.263 1.00 0.00 N ATOM 949 NH2 ARG A 62 2.256 -0.752 -12.126 1.00 0.00 N ATOM 0 H ARG A 62 2.265 7.159 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 62 1.645 4.923 -8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.272 5.434 -10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.805 4.610 -10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.783 2.731 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.238 3.504 -9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.084 2.473 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.585 3.212 -12.176 1.00 0.00 H new ATOM 0 HE ARG A 62 2.401 1.089 -10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.467 1.586 -13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.809 -0.016 -14.000 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.835 -0.964 -11.313 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.138 -1.447 -12.863 1.00 0.00 H new ATOM 963 N HIS A 63 4.808 5.252 -8.922 1.00 0.00 N ATOM 964 CA HIS A 63 6.165 4.746 -8.601 1.00 0.00 C ATOM 965 C HIS A 63 6.276 4.649 -7.080 1.00 0.00 C ATOM 966 O HIS A 63 6.850 3.725 -6.544 1.00 0.00 O ATOM 967 CB HIS A 63 7.220 5.719 -9.146 1.00 0.00 C ATOM 968 CG HIS A 63 8.554 5.031 -9.235 1.00 0.00 C ATOM 969 ND1 HIS A 63 9.022 4.471 -10.412 1.00 0.00 N ATOM 970 CD2 HIS A 63 9.532 4.809 -8.298 1.00 0.00 C ATOM 971 CE1 HIS A 63 10.233 3.944 -10.157 1.00 0.00 C ATOM 972 NE2 HIS A 63 10.592 4.121 -8.882 1.00 0.00 N ATOM 0 H HIS A 63 4.779 6.093 -9.499 1.00 0.00 H new ATOM 0 HA HIS A 63 6.331 3.769 -9.055 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.921 6.080 -10.130 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.293 6.591 -8.496 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.486 5.121 -7.265 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.841 3.439 -10.893 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.456 3.817 -8.433 1.00 0.00 H new ATOM 980 N GLY A 64 5.706 5.596 -6.381 1.00 0.00 N ATOM 981 CA GLY A 64 5.753 5.564 -4.888 1.00 0.00 C ATOM 982 C GLY A 64 4.866 4.420 -4.378 1.00 0.00 C ATOM 983 O GLY A 64 5.252 3.655 -3.513 1.00 0.00 O ATOM 0 H GLY A 64 5.209 6.392 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.779 5.424 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.410 6.515 -4.481 1.00 0.00 H new ATOM 987 N PHE A 65 3.686 4.284 -4.924 1.00 0.00 N ATOM 988 CA PHE A 65 2.784 3.179 -4.489 1.00 0.00 C ATOM 989 C PHE A 65 3.359 1.881 -5.032 1.00 0.00 C ATOM 990 O PHE A 65 3.398 0.872 -4.363 1.00 0.00 O ATOM 991 CB PHE A 65 1.395 3.372 -5.121 1.00 0.00 C ATOM 992 CG PHE A 65 0.505 4.217 -4.249 1.00 0.00 C ATOM 993 CD1 PHE A 65 -0.219 3.630 -3.206 1.00 0.00 C ATOM 994 CD2 PHE A 65 0.383 5.586 -4.502 1.00 0.00 C ATOM 995 CE1 PHE A 65 -1.060 4.415 -2.414 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.460 6.368 -3.714 1.00 0.00 C ATOM 997 CZ PHE A 65 -1.180 5.785 -2.670 1.00 0.00 C ATOM 0 H PHE A 65 3.309 4.891 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 65 2.702 3.166 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.501 3.842 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.930 2.400 -5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.128 2.571 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.942 6.038 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.617 3.965 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.556 7.425 -3.911 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.831 6.393 -2.059 1.00 0.00 H new ATOM 1007 N ASP A 66 3.788 1.920 -6.260 1.00 0.00 N ATOM 1008 CA ASP A 66 4.352 0.714 -6.912 1.00 0.00 C ATOM 1009 C ASP A 66 5.289 0.020 -5.918 1.00 0.00 C ATOM 1010 O ASP A 66 5.328 -1.190 -5.813 1.00 0.00 O ATOM 1011 CB ASP A 66 5.148 1.128 -8.149 1.00 0.00 C ATOM 1012 CG ASP A 66 5.742 -0.115 -8.816 1.00 0.00 C ATOM 1013 OD1 ASP A 66 6.785 -0.562 -8.367 1.00 0.00 O ATOM 1014 OD2 ASP A 66 5.142 -0.601 -9.761 1.00 0.00 O ATOM 0 H ASP A 66 3.770 2.753 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 66 3.549 0.040 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.502 1.656 -8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.944 1.818 -7.868 1.00 0.00 H new ATOM 1019 N ILE A 67 6.028 0.800 -5.172 1.00 0.00 N ATOM 1020 CA ILE A 67 6.951 0.231 -4.157 1.00 0.00 C ATOM 1021 C ILE A 67 6.150 -0.433 -3.033 1.00 0.00 C ATOM 1022 O ILE A 67 6.210 -1.631 -2.841 1.00 0.00 O ATOM 1023 CB ILE A 67 7.793 1.364 -3.568 1.00 0.00 C ATOM 1024 CG1 ILE A 67 8.592 2.067 -4.700 1.00 0.00 C ATOM 1025 CG2 ILE A 67 8.732 0.796 -2.493 1.00 0.00 C ATOM 1026 CD1 ILE A 67 9.991 1.453 -4.859 1.00 0.00 C ATOM 0 H ILE A 67 6.028 1.819 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 67 7.592 -0.514 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 67 7.145 2.106 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.046 1.983 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.682 3.130 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.333 1.602 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.142 0.332 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.388 0.050 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.525 1.966 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.544 1.561 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.898 0.395 -5.106 1.00 0.00 H new ATOM 1038 N LEU A 68 5.421 0.343 -2.265 1.00 0.00 N ATOM 1039 CA LEU A 68 4.652 -0.256 -1.134 1.00 0.00 C ATOM 1040 C LEU A 68 3.730 -1.375 -1.643 1.00 0.00 C ATOM 1041 O LEU A 68 3.721 -2.459 -1.095 1.00 0.00 O ATOM 1042 CB LEU A 68 3.883 0.848 -0.360 1.00 0.00 C ATOM 1043 CG LEU A 68 2.614 1.330 -1.100 1.00 0.00 C ATOM 1044 CD1 LEU A 68 1.369 0.551 -0.637 1.00 0.00 C ATOM 1045 CD2 LEU A 68 2.386 2.827 -0.796 1.00 0.00 C ATOM 0 H LEU A 68 5.327 1.353 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 68 5.345 -0.715 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.602 0.467 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.546 1.697 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 68 2.762 1.164 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.493 0.912 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.508 -0.511 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.224 0.699 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.492 3.172 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.257 2.965 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.247 3.402 -1.135 1.00 0.00 H new ATOM 1057 N VAL A 69 2.969 -1.152 -2.683 1.00 0.00 N ATOM 1058 CA VAL A 69 2.083 -2.247 -3.192 1.00 0.00 C ATOM 1059 C VAL A 69 2.941 -3.410 -3.715 1.00 0.00 C ATOM 1060 O VAL A 69 2.483 -4.528 -3.837 1.00 0.00 O ATOM 1061 CB VAL A 69 1.190 -1.724 -4.330 1.00 0.00 C ATOM 1062 CG1 VAL A 69 0.505 -0.425 -3.897 1.00 0.00 C ATOM 1063 CG2 VAL A 69 2.032 -1.480 -5.599 1.00 0.00 C ATOM 0 H VAL A 69 2.921 -0.273 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 69 1.453 -2.595 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 69 0.429 -2.471 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.126 -0.059 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.108 -0.613 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.261 0.323 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.388 -1.110 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.806 -0.743 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.497 -2.415 -5.912 1.00 0.00 H new ATOM 1073 N GLY A 70 4.174 -3.142 -4.048 1.00 0.00 N ATOM 1074 CA GLY A 70 5.064 -4.214 -4.594 1.00 0.00 C ATOM 1075 C GLY A 70 5.407 -5.246 -3.521 1.00 0.00 C ATOM 1076 O GLY A 70 5.310 -6.435 -3.749 1.00 0.00 O ATOM 0 H GLY A 70 4.608 -2.223 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.572 -4.707 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.981 -3.768 -4.980 1.00 0.00 H new ATOM 1080 N GLN A 71 5.813 -4.823 -2.358 1.00 0.00 N ATOM 1081 CA GLN A 71 6.158 -5.819 -1.308 1.00 0.00 C ATOM 1082 C GLN A 71 4.876 -6.464 -0.791 1.00 0.00 C ATOM 1083 O GLN A 71 4.877 -7.586 -0.325 1.00 0.00 O ATOM 1084 CB GLN A 71 6.904 -5.134 -0.164 1.00 0.00 C ATOM 1085 CG GLN A 71 6.229 -3.802 0.165 1.00 0.00 C ATOM 1086 CD GLN A 71 6.772 -3.266 1.491 1.00 0.00 C ATOM 1087 OE1 GLN A 71 7.109 -4.105 2.432 1.00 0.00 O flip ATOM 1088 NE2 GLN A 71 6.892 -2.071 1.672 1.00 0.00 N flip ATOM 0 H GLN A 71 5.920 -3.844 -2.091 1.00 0.00 H new ATOM 0 HA GLN A 71 6.804 -6.588 -1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.910 -5.777 0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.944 -4.967 -0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.413 -3.082 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.149 -3.936 0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.629 -1.415 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.256 -1.724 2.559 1.00 0.00 H new ATOM 1097 N ILE A 72 3.780 -5.775 -0.884 1.00 0.00 N ATOM 1098 CA ILE A 72 2.505 -6.362 -0.421 1.00 0.00 C ATOM 1099 C ILE A 72 2.222 -7.614 -1.244 1.00 0.00 C ATOM 1100 O ILE A 72 2.098 -8.702 -0.715 1.00 0.00 O ATOM 1101 CB ILE A 72 1.413 -5.326 -0.643 1.00 0.00 C ATOM 1102 CG1 ILE A 72 1.680 -4.121 0.288 1.00 0.00 C ATOM 1103 CG2 ILE A 72 0.034 -5.948 -0.374 1.00 0.00 C ATOM 1104 CD1 ILE A 72 1.054 -4.339 1.666 1.00 0.00 C ATOM 0 H ILE A 72 3.714 -4.830 -1.261 1.00 0.00 H new ATOM 0 HA ILE A 72 2.548 -6.633 0.634 1.00 0.00 H new ATOM 0 HB ILE A 72 1.421 -4.983 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.754 -3.970 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.273 -3.214 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.741 -5.199 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.125 -6.787 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.011 -6.301 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.258 -3.475 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.024 -4.465 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.481 -5.232 2.122 1.00 0.00 H new ATOM 1116 N ASP A 73 2.148 -7.479 -2.538 1.00 0.00 N ATOM 1117 CA ASP A 73 1.909 -8.677 -3.378 1.00 0.00 C ATOM 1118 C ASP A 73 3.032 -9.666 -3.120 1.00 0.00 C ATOM 1119 O ASP A 73 2.839 -10.856 -3.158 1.00 0.00 O ATOM 1120 CB ASP A 73 1.886 -8.296 -4.856 1.00 0.00 C ATOM 1121 CG ASP A 73 3.185 -7.588 -5.242 1.00 0.00 C ATOM 1122 OD1 ASP A 73 4.240 -8.145 -4.990 1.00 0.00 O ATOM 1123 OD2 ASP A 73 3.101 -6.501 -5.791 1.00 0.00 O ATOM 0 H ASP A 73 2.242 -6.598 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 73 0.945 -9.119 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.755 -9.189 -5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.035 -7.645 -5.057 1.00 0.00 H new ATOM 1128 N ASP A 74 4.215 -9.202 -2.835 1.00 0.00 N ATOM 1129 CA ASP A 74 5.291 -10.178 -2.572 1.00 0.00 C ATOM 1130 C ASP A 74 4.856 -11.023 -1.382 1.00 0.00 C ATOM 1131 O ASP A 74 5.303 -12.138 -1.200 1.00 0.00 O ATOM 1132 CB ASP A 74 6.607 -9.457 -2.291 1.00 0.00 C ATOM 1133 CG ASP A 74 7.729 -10.486 -2.132 1.00 0.00 C ATOM 1134 OD1 ASP A 74 8.279 -10.893 -3.142 1.00 0.00 O ATOM 1135 OD2 ASP A 74 8.018 -10.848 -1.003 1.00 0.00 O ATOM 0 H ASP A 74 4.474 -8.217 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 74 5.459 -10.816 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.840 -8.772 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.519 -8.856 -1.386 1.00 0.00 H new ATOM 1140 N ALA A 75 3.928 -10.527 -0.607 1.00 0.00 N ATOM 1141 CA ALA A 75 3.411 -11.345 0.513 1.00 0.00 C ATOM 1142 C ALA A 75 2.553 -12.428 -0.134 1.00 0.00 C ATOM 1143 O ALA A 75 2.528 -13.571 0.280 1.00 0.00 O ATOM 1144 CB ALA A 75 2.566 -10.494 1.455 1.00 0.00 C ATOM 0 H ALA A 75 3.513 -9.600 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 75 4.221 -11.768 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.195 -11.114 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.175 -9.686 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.723 -10.073 0.907 1.00 0.00 H new ATOM 1150 N LEU A 76 1.888 -12.052 -1.198 1.00 0.00 N ATOM 1151 CA LEU A 76 1.053 -13.011 -1.976 1.00 0.00 C ATOM 1152 C LEU A 76 1.986 -14.139 -2.417 1.00 0.00 C ATOM 1153 O LEU A 76 1.655 -15.307 -2.397 1.00 0.00 O ATOM 1154 CB LEU A 76 0.505 -12.248 -3.201 1.00 0.00 C ATOM 1155 CG LEU A 76 -0.730 -12.934 -3.797 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -1.395 -11.987 -4.806 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -0.332 -14.232 -4.510 1.00 0.00 C ATOM 0 H LEU A 76 1.891 -11.100 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 76 0.220 -13.419 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.249 -11.229 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.283 -12.176 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.424 -13.173 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.274 -12.470 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.695 -11.069 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.689 -11.749 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.221 -14.705 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.369 -14.006 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.139 -14.909 -3.797 1.00 0.00 H new ATOM 1169 N LYS A 77 3.170 -13.759 -2.793 1.00 0.00 N ATOM 1170 CA LYS A 77 4.205 -14.726 -3.234 1.00 0.00 C ATOM 1171 C LYS A 77 4.591 -15.646 -2.074 1.00 0.00 C ATOM 1172 O LYS A 77 4.707 -16.852 -2.209 1.00 0.00 O ATOM 1173 CB LYS A 77 5.413 -13.893 -3.678 1.00 0.00 C ATOM 1174 CG LYS A 77 6.240 -14.631 -4.727 1.00 0.00 C ATOM 1175 CD LYS A 77 7.408 -13.723 -5.197 1.00 0.00 C ATOM 1176 CE LYS A 77 8.672 -14.021 -4.379 1.00 0.00 C ATOM 1177 NZ LYS A 77 9.342 -15.236 -4.923 1.00 0.00 N ATOM 0 H LYS A 77 3.472 -12.785 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 77 3.842 -15.356 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.071 -12.941 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.037 -13.665 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.632 -15.559 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.612 -14.903 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.604 -13.889 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.132 -12.675 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.352 -13.170 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.412 -14.174 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.198 -15.438 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.693 -16.046 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.603 -15.073 -5.916 1.00 0.00 H new ATOM 1191 N LEU A 78 4.790 -15.066 -0.940 1.00 0.00 N ATOM 1192 CA LEU A 78 5.179 -15.829 0.262 1.00 0.00 C ATOM 1193 C LEU A 78 4.047 -16.788 0.659 1.00 0.00 C ATOM 1194 O LEU A 78 4.256 -17.972 0.812 1.00 0.00 O ATOM 1195 CB LEU A 78 5.425 -14.789 1.356 1.00 0.00 C ATOM 1196 CG LEU A 78 6.930 -14.568 1.575 1.00 0.00 C ATOM 1197 CD1 LEU A 78 7.541 -13.913 0.333 1.00 0.00 C ATOM 1198 CD2 LEU A 78 7.138 -13.653 2.782 1.00 0.00 C ATOM 0 H LEU A 78 4.696 -14.061 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 78 6.069 -16.436 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.951 -13.847 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.963 -15.118 2.287 1.00 0.00 H new ATOM 0 HG LEU A 78 7.414 -15.528 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.608 -13.758 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.393 -14.562 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.057 -12.953 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.205 -13.495 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.652 -12.694 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.705 -14.116 3.669 1.00 0.00 H new ATOM 1210 N ALA A 79 2.855 -16.286 0.834 1.00 0.00 N ATOM 1211 CA ALA A 79 1.722 -17.174 1.226 1.00 0.00 C ATOM 1212 C ALA A 79 1.724 -18.418 0.332 1.00 0.00 C ATOM 1213 O ALA A 79 1.382 -19.501 0.763 1.00 0.00 O ATOM 1214 CB ALA A 79 0.399 -16.424 1.058 1.00 0.00 C ATOM 0 H ALA A 79 2.616 -15.301 0.723 1.00 0.00 H new ATOM 0 HA ALA A 79 1.835 -17.472 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.427 -17.075 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.400 -15.538 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.280 -16.125 0.017 1.00 0.00 H new ATOM 1220 N ASN A 80 2.134 -18.282 -0.904 1.00 0.00 N ATOM 1221 CA ASN A 80 2.183 -19.475 -1.799 1.00 0.00 C ATOM 1222 C ASN A 80 3.238 -20.431 -1.250 1.00 0.00 C ATOM 1223 O ASN A 80 3.135 -21.635 -1.388 1.00 0.00 O ATOM 1224 CB ASN A 80 2.560 -19.053 -3.227 1.00 0.00 C ATOM 1225 CG ASN A 80 1.824 -17.766 -3.612 1.00 0.00 C ATOM 1226 OD1 ASN A 80 0.678 -17.479 -3.058 1.00 0.00 O flip ATOM 1227 ND2 ASN A 80 2.297 -17.015 -4.440 1.00 0.00 N flip ATOM 0 H ASN A 80 2.434 -17.404 -1.328 1.00 0.00 H new ATOM 0 HA ASN A 80 1.207 -19.959 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.637 -18.899 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.307 -19.849 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.193 -17.235 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.799 -16.164 -4.700 1.00 0.00 H new ATOM 1234 N GLU A 81 4.248 -19.900 -0.614 1.00 0.00 N ATOM 1235 CA GLU A 81 5.311 -20.772 -0.035 1.00 0.00 C ATOM 1236 C GLU A 81 4.875 -21.220 1.368 1.00 0.00 C ATOM 1237 O GLU A 81 5.614 -21.863 2.087 1.00 0.00 O ATOM 1238 CB GLU A 81 6.627 -19.986 0.051 1.00 0.00 C ATOM 1239 CG GLU A 81 7.767 -20.914 0.501 1.00 0.00 C ATOM 1240 CD GLU A 81 9.116 -20.313 0.095 1.00 0.00 C ATOM 1241 OE1 GLU A 81 9.208 -19.809 -1.011 1.00 0.00 O ATOM 1242 OE2 GLU A 81 10.032 -20.371 0.898 1.00 0.00 O ATOM 0 H GLU A 81 4.383 -18.899 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 81 5.462 -21.647 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.864 -19.550 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.521 -19.160 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.731 -21.052 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.646 -21.899 0.049 1.00 0.00 H new ATOM 1249 N GLY A 82 3.658 -20.912 1.745 1.00 0.00 N ATOM 1250 CA GLY A 82 3.142 -21.342 3.083 1.00 0.00 C ATOM 1251 C GLY A 82 3.476 -20.313 4.171 1.00 0.00 C ATOM 1252 O GLY A 82 3.861 -20.672 5.265 1.00 0.00 O ATOM 0 H GLY A 82 2.996 -20.379 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.062 -21.480 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.574 -22.307 3.348 1.00 0.00 H new ATOM 1256 N LYS A 83 3.318 -19.040 3.895 1.00 0.00 N ATOM 1257 CA LYS A 83 3.612 -17.999 4.932 1.00 0.00 C ATOM 1258 C LYS A 83 2.313 -17.508 5.556 1.00 0.00 C ATOM 1259 O LYS A 83 1.885 -16.391 5.346 1.00 0.00 O ATOM 1260 CB LYS A 83 4.318 -16.818 4.277 1.00 0.00 C ATOM 1261 CG LYS A 83 5.703 -17.210 3.709 1.00 0.00 C ATOM 1262 CD LYS A 83 6.450 -18.217 4.601 1.00 0.00 C ATOM 1263 CE LYS A 83 7.906 -18.317 4.146 1.00 0.00 C ATOM 1264 NZ LYS A 83 8.595 -17.020 4.402 1.00 0.00 N ATOM 0 H LYS A 83 2.998 -18.677 2.997 1.00 0.00 H new ATOM 0 HA LYS A 83 4.247 -18.435 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.695 -16.424 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.439 -16.018 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.575 -17.638 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.311 -16.313 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.404 -17.900 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.972 -19.195 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.411 -19.121 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.951 -18.562 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.598 -17.102 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.149 -16.272 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.519 -16.780 5.411 1.00 0.00 H new ATOM 1278 N VAL A 84 1.699 -18.339 6.333 1.00 0.00 N ATOM 1279 CA VAL A 84 0.429 -17.945 7.004 1.00 0.00 C ATOM 1280 C VAL A 84 0.685 -16.781 7.973 1.00 0.00 C ATOM 1281 O VAL A 84 0.009 -15.771 7.939 1.00 0.00 O ATOM 1282 CB VAL A 84 -0.124 -19.134 7.799 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -1.488 -18.761 8.382 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -0.279 -20.353 6.882 1.00 0.00 C ATOM 0 H VAL A 84 2.020 -19.285 6.539 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.288 -17.638 6.243 1.00 0.00 H new ATOM 0 HB VAL A 84 0.568 -19.380 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.885 -19.604 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.379 -17.900 9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.174 -18.513 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.672 -21.192 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.967 -20.113 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.692 -20.621 6.466 1.00 0.00 H new ATOM 1294 N LYS A 85 1.644 -16.930 8.851 1.00 0.00 N ATOM 1295 CA LYS A 85 1.943 -15.862 9.847 1.00 0.00 C ATOM 1296 C LYS A 85 2.674 -14.693 9.174 1.00 0.00 C ATOM 1297 O LYS A 85 2.310 -13.545 9.326 1.00 0.00 O ATOM 1298 CB LYS A 85 2.809 -16.465 10.983 1.00 0.00 C ATOM 1299 CG LYS A 85 3.469 -17.775 10.521 1.00 0.00 C ATOM 1300 CD LYS A 85 4.623 -18.132 11.463 1.00 0.00 C ATOM 1301 CE LYS A 85 4.117 -18.174 12.906 1.00 0.00 C ATOM 1302 NZ LYS A 85 5.079 -18.941 13.746 1.00 0.00 N ATOM 0 H LYS A 85 2.238 -17.756 8.919 1.00 0.00 H new ATOM 0 HA LYS A 85 1.012 -15.479 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.576 -15.750 11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.189 -16.653 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.734 -18.580 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.839 -17.667 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.045 -19.099 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.422 -17.397 11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.006 -17.161 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.132 -18.640 12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.736 -18.970 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.163 -19.911 13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.010 -18.478 13.718 1.00 0.00 H new ATOM 1316 N GLU A 86 3.714 -14.985 8.454 1.00 0.00 N ATOM 1317 CA GLU A 86 4.502 -13.919 7.786 1.00 0.00 C ATOM 1318 C GLU A 86 3.587 -13.087 6.873 1.00 0.00 C ATOM 1319 O GLU A 86 3.675 -11.876 6.834 1.00 0.00 O ATOM 1320 CB GLU A 86 5.620 -14.610 6.964 1.00 0.00 C ATOM 1321 CG GLU A 86 7.010 -14.319 7.552 1.00 0.00 C ATOM 1322 CD GLU A 86 8.087 -14.688 6.527 1.00 0.00 C ATOM 1323 OE1 GLU A 86 8.001 -14.209 5.409 1.00 0.00 O ATOM 1324 OE2 GLU A 86 8.978 -15.444 6.879 1.00 0.00 O ATOM 0 H GLU A 86 4.058 -15.932 8.297 1.00 0.00 H new ATOM 0 HA GLU A 86 4.942 -13.242 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.449 -15.686 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.581 -14.264 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.091 -13.265 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.155 -14.890 8.469 1.00 0.00 H new ATOM 1331 N ALA A 87 2.718 -13.722 6.137 1.00 0.00 N ATOM 1332 CA ALA A 87 1.818 -12.951 5.232 1.00 0.00 C ATOM 1333 C ALA A 87 0.904 -12.041 6.059 1.00 0.00 C ATOM 1334 O ALA A 87 0.748 -10.874 5.759 1.00 0.00 O ATOM 1335 CB ALA A 87 0.964 -13.916 4.408 1.00 0.00 C ATOM 0 H ALA A 87 2.592 -14.734 6.122 1.00 0.00 H new ATOM 0 HA ALA A 87 2.425 -12.341 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.308 -13.349 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.613 -14.557 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.362 -14.531 5.077 1.00 0.00 H new ATOM 1341 N GLN A 88 0.303 -12.555 7.098 1.00 0.00 N ATOM 1342 CA GLN A 88 -0.590 -11.696 7.930 1.00 0.00 C ATOM 1343 C GLN A 88 0.252 -10.582 8.565 1.00 0.00 C ATOM 1344 O GLN A 88 -0.169 -9.447 8.650 1.00 0.00 O ATOM 1345 CB GLN A 88 -1.262 -12.546 9.031 1.00 0.00 C ATOM 1346 CG GLN A 88 -2.605 -13.088 8.532 1.00 0.00 C ATOM 1347 CD GLN A 88 -3.319 -13.806 9.674 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -3.830 -13.177 10.580 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -3.376 -15.105 9.667 1.00 0.00 N ATOM 0 H GLN A 88 0.390 -13.524 7.405 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.370 -11.258 7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.609 -13.373 9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.415 -11.942 9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.223 -12.271 8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.446 -13.774 7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.946 -15.630 8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.850 -15.599 10.423 1.00 0.00 H new ATOM 1358 N ALA A 89 1.442 -10.891 9.001 1.00 0.00 N ATOM 1359 CA ALA A 89 2.298 -9.834 9.613 1.00 0.00 C ATOM 1360 C ALA A 89 2.536 -8.746 8.567 1.00 0.00 C ATOM 1361 O ALA A 89 2.448 -7.562 8.843 1.00 0.00 O ATOM 1362 CB ALA A 89 3.635 -10.436 10.047 1.00 0.00 C ATOM 0 H ALA A 89 1.857 -11.822 8.961 1.00 0.00 H new ATOM 0 HA ALA A 89 1.805 -9.412 10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.256 -9.659 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.459 -11.225 10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.145 -10.854 9.179 1.00 0.00 H new ATOM 1368 N ALA A 90 2.809 -9.139 7.354 1.00 0.00 N ATOM 1369 CA ALA A 90 3.024 -8.128 6.289 1.00 0.00 C ATOM 1370 C ALA A 90 1.732 -7.331 6.130 1.00 0.00 C ATOM 1371 O ALA A 90 1.725 -6.216 5.666 1.00 0.00 O ATOM 1372 CB ALA A 90 3.366 -8.830 4.973 1.00 0.00 C ATOM 0 H ALA A 90 2.892 -10.112 7.058 1.00 0.00 H new ATOM 0 HA ALA A 90 3.848 -7.465 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.523 -8.085 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.274 -9.419 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.545 -9.487 4.687 1.00 0.00 H new ATOM 1378 N ALA A 91 0.633 -7.891 6.532 1.00 0.00 N ATOM 1379 CA ALA A 91 -0.647 -7.149 6.421 1.00 0.00 C ATOM 1380 C ALA A 91 -0.570 -5.909 7.316 1.00 0.00 C ATOM 1381 O ALA A 91 -0.825 -4.800 6.891 1.00 0.00 O ATOM 1382 CB ALA A 91 -1.799 -8.054 6.872 1.00 0.00 C ATOM 0 H ALA A 91 0.564 -8.827 6.931 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.822 -6.845 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.741 -7.511 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.835 -8.940 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.641 -8.355 7.908 1.00 0.00 H new ATOM 1388 N GLU A 92 -0.218 -6.096 8.558 1.00 0.00 N ATOM 1389 CA GLU A 92 -0.126 -4.943 9.494 1.00 0.00 C ATOM 1390 C GLU A 92 0.977 -3.976 9.044 1.00 0.00 C ATOM 1391 O GLU A 92 1.066 -2.870 9.540 1.00 0.00 O ATOM 1392 CB GLU A 92 0.168 -5.463 10.916 1.00 0.00 C ATOM 1393 CG GLU A 92 -1.155 -5.805 11.643 1.00 0.00 C ATOM 1394 CD GLU A 92 -0.930 -6.953 12.633 1.00 0.00 C ATOM 1395 OE1 GLU A 92 -0.369 -7.957 12.227 1.00 0.00 O ATOM 1396 OE2 GLU A 92 -1.324 -6.807 13.779 1.00 0.00 O ATOM 0 H GLU A 92 0.011 -7.003 8.966 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.074 -4.404 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.802 -6.348 10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.718 -4.710 11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.527 -4.927 12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.917 -6.086 10.916 1.00 0.00 H new ATOM 1403 N GLN A 93 1.809 -4.352 8.104 1.00 0.00 N ATOM 1404 CA GLN A 93 2.860 -3.403 7.656 1.00 0.00 C ATOM 1405 C GLN A 93 2.181 -2.375 6.761 1.00 0.00 C ATOM 1406 O GLN A 93 2.530 -1.214 6.755 1.00 0.00 O ATOM 1407 CB GLN A 93 4.007 -4.177 6.951 1.00 0.00 C ATOM 1408 CG GLN A 93 3.788 -4.351 5.426 1.00 0.00 C ATOM 1409 CD GLN A 93 4.506 -3.245 4.667 1.00 0.00 C ATOM 1410 OE1 GLN A 93 3.951 -2.084 4.617 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 5.574 -3.442 4.129 1.00 0.00 N flip ATOM 0 H GLN A 93 1.803 -5.259 7.638 1.00 0.00 H new ATOM 0 HA GLN A 93 3.328 -2.882 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.946 -3.650 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.107 -5.160 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.160 -5.324 5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.722 -4.327 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.005 -4.365 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.042 -2.685 3.631 1.00 0.00 H new ATOM 1420 N LEU A 94 1.172 -2.786 6.046 1.00 0.00 N ATOM 1421 CA LEU A 94 0.425 -1.822 5.191 1.00 0.00 C ATOM 1422 C LEU A 94 -0.283 -0.815 6.101 1.00 0.00 C ATOM 1423 O LEU A 94 -0.169 0.382 5.940 1.00 0.00 O ATOM 1424 CB LEU A 94 -0.624 -2.563 4.363 1.00 0.00 C ATOM 1425 CG LEU A 94 -1.324 -1.589 3.394 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -0.314 -1.007 2.380 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -2.438 -2.335 2.642 1.00 0.00 C ATOM 0 H LEU A 94 0.832 -3.747 6.016 1.00 0.00 H new ATOM 0 HA LEU A 94 1.118 -1.314 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.152 -3.369 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.360 -3.023 5.023 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.750 -0.766 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.829 -0.322 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.469 -0.470 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.131 -1.818 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.936 -1.650 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.006 -3.162 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.163 -2.722 3.357 1.00 0.00 H new ATOM 1439 N LYS A 95 -1.017 -1.309 7.062 1.00 0.00 N ATOM 1440 CA LYS A 95 -1.753 -0.410 7.998 1.00 0.00 C ATOM 1441 C LYS A 95 -0.796 0.649 8.562 1.00 0.00 C ATOM 1442 O LYS A 95 -0.944 1.836 8.324 1.00 0.00 O ATOM 1443 CB LYS A 95 -2.311 -1.252 9.157 1.00 0.00 C ATOM 1444 CG LYS A 95 -3.473 -2.149 8.665 1.00 0.00 C ATOM 1445 CD LYS A 95 -3.624 -3.420 9.568 1.00 0.00 C ATOM 1446 CE LYS A 95 -5.072 -3.582 10.068 1.00 0.00 C ATOM 1447 NZ LYS A 95 -5.097 -4.553 11.197 1.00 0.00 N ATOM 0 H LYS A 95 -1.139 -2.306 7.240 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.565 0.086 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.519 -1.871 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.662 -0.597 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.403 -1.581 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.292 -2.451 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.330 -4.306 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.949 -3.346 10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.467 -2.619 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.712 -3.932 9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.049 -4.576 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.850 -5.500 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.409 -4.262 11.921 1.00 0.00 H new ATOM 1461 N THR A 96 0.176 0.227 9.322 1.00 0.00 N ATOM 1462 CA THR A 96 1.133 1.199 9.922 1.00 0.00 C ATOM 1463 C THR A 96 1.936 1.910 8.827 1.00 0.00 C ATOM 1464 O THR A 96 2.312 3.056 8.978 1.00 0.00 O ATOM 1465 CB THR A 96 2.092 0.456 10.857 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.363 -0.492 11.628 1.00 0.00 O ATOM 1467 CG2 THR A 96 2.780 1.455 11.790 1.00 0.00 C ATOM 0 H THR A 96 0.349 -0.751 9.554 1.00 0.00 H new ATOM 0 HA THR A 96 0.570 1.945 10.483 1.00 0.00 H new ATOM 0 HB THR A 96 2.847 -0.061 10.264 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.976 -0.969 12.225 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.462 0.923 12.454 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.341 2.179 11.198 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.028 1.976 12.383 1.00 0.00 H new ATOM 1475 N THR A 97 2.215 1.254 7.728 1.00 0.00 N ATOM 1476 CA THR A 97 3.006 1.931 6.658 1.00 0.00 C ATOM 1477 C THR A 97 2.382 3.295 6.366 1.00 0.00 C ATOM 1478 O THR A 97 3.043 4.298 6.425 1.00 0.00 O ATOM 1479 CB THR A 97 3.033 1.071 5.389 1.00 0.00 C ATOM 1480 OG1 THR A 97 4.036 0.081 5.538 1.00 0.00 O ATOM 1481 CG2 THR A 97 3.356 1.921 4.151 1.00 0.00 C ATOM 0 H THR A 97 1.934 0.294 7.528 1.00 0.00 H new ATOM 0 HA THR A 97 4.034 2.067 6.995 1.00 0.00 H new ATOM 0 HB THR A 97 2.051 0.618 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.632 -0.808 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.368 1.285 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.596 2.694 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.333 2.389 4.275 1.00 0.00 H new ATOM 1489 N ILE A 98 1.119 3.341 6.050 1.00 0.00 N ATOM 1490 CA ILE A 98 0.475 4.652 5.775 1.00 0.00 C ATOM 1491 C ILE A 98 0.726 5.577 6.973 1.00 0.00 C ATOM 1492 O ILE A 98 1.258 6.657 6.829 1.00 0.00 O ATOM 1493 CB ILE A 98 -1.042 4.417 5.538 1.00 0.00 C ATOM 1494 CG1 ILE A 98 -1.303 3.961 4.060 1.00 0.00 C ATOM 1495 CG2 ILE A 98 -1.856 5.685 5.848 1.00 0.00 C ATOM 1496 CD1 ILE A 98 -1.741 2.491 4.015 1.00 0.00 C ATOM 0 H ILE A 98 0.507 2.529 5.971 1.00 0.00 H new ATOM 0 HA ILE A 98 0.891 5.123 4.884 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.366 3.627 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.073 4.589 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.398 4.094 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.914 5.490 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.707 5.968 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.525 6.497 5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.917 2.195 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.958 1.865 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.659 2.367 4.589 1.00 0.00 H new ATOM 1508 N ARG A 99 0.355 5.172 8.151 1.00 0.00 N ATOM 1509 CA ARG A 99 0.576 6.042 9.332 1.00 0.00 C ATOM 1510 C ARG A 99 2.073 6.373 9.497 1.00 0.00 C ATOM 1511 O ARG A 99 2.449 7.517 9.655 1.00 0.00 O ATOM 1512 CB ARG A 99 0.062 5.285 10.562 1.00 0.00 C ATOM 1513 CG ARG A 99 -0.489 6.254 11.609 1.00 0.00 C ATOM 1514 CD ARG A 99 0.658 6.995 12.306 1.00 0.00 C ATOM 1515 NE ARG A 99 1.670 6.015 12.794 1.00 0.00 N ATOM 1516 CZ ARG A 99 1.462 5.359 13.902 1.00 0.00 C ATOM 1517 NH1 ARG A 99 0.378 5.573 14.596 1.00 0.00 N ATOM 1518 NH2 ARG A 99 2.343 4.490 14.320 1.00 0.00 N ATOM 0 H ARG A 99 -0.092 4.276 8.347 1.00 0.00 H new ATOM 0 HA ARG A 99 0.045 6.986 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.718 4.585 10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.870 4.696 10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.158 6.971 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.078 5.708 12.345 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.123 7.697 11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.271 7.579 13.141 1.00 0.00 H new ATOM 0 HE ARG A 99 2.525 5.857 12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.309 6.254 14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.217 5.059 15.462 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.193 4.325 13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.181 3.976 15.186 1.00 0.00 H new ATOM 1532 N ALA A 100 2.925 5.380 9.480 1.00 0.00 N ATOM 1533 CA ALA A 100 4.391 5.641 9.658 1.00 0.00 C ATOM 1534 C ALA A 100 4.898 6.543 8.529 1.00 0.00 C ATOM 1535 O ALA A 100 5.791 7.347 8.708 1.00 0.00 O ATOM 1536 CB ALA A 100 5.153 4.313 9.629 1.00 0.00 C ATOM 0 H ALA A 100 2.672 4.400 9.351 1.00 0.00 H new ATOM 0 HA ALA A 100 4.554 6.136 10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.219 4.502 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.798 3.672 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.986 3.818 8.672 1.00 0.00 H new ATOM 1542 N TYR A 101 4.312 6.420 7.379 1.00 0.00 N ATOM 1543 CA TYR A 101 4.707 7.260 6.216 1.00 0.00 C ATOM 1544 C TYR A 101 4.189 8.669 6.480 1.00 0.00 C ATOM 1545 O TYR A 101 4.418 9.574 5.710 1.00 0.00 O ATOM 1546 CB TYR A 101 4.044 6.694 4.936 1.00 0.00 C ATOM 1547 CG TYR A 101 4.872 5.583 4.313 1.00 0.00 C ATOM 1548 CD1 TYR A 101 5.702 4.780 5.106 1.00 0.00 C ATOM 1549 CD2 TYR A 101 4.798 5.353 2.925 1.00 0.00 C ATOM 1550 CE1 TYR A 101 6.459 3.757 4.521 1.00 0.00 C ATOM 1551 CE2 TYR A 101 5.557 4.327 2.343 1.00 0.00 C ATOM 1552 CZ TYR A 101 6.388 3.532 3.141 1.00 0.00 C ATOM 1553 OH TYR A 101 7.134 2.523 2.567 1.00 0.00 O ATOM 0 H TYR A 101 3.559 5.759 7.188 1.00 0.00 H new ATOM 0 HA TYR A 101 5.789 7.266 6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.051 6.315 5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 101 3.910 7.497 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.758 4.950 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.157 5.967 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.099 3.141 5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.500 4.150 1.279 1.00 0.00 H new ATOM 0 HH TYR A 101 6.967 2.502 1.601 1.00 0.00 H new ATOM 1563 N ASN A 102 3.432 8.807 7.545 1.00 0.00 N ATOM 1564 CA ASN A 102 2.780 10.102 7.912 1.00 0.00 C ATOM 1565 C ASN A 102 1.426 10.050 7.244 1.00 0.00 C ATOM 1566 O ASN A 102 1.166 10.770 6.301 1.00 0.00 O ATOM 1567 CB ASN A 102 3.554 11.328 7.407 1.00 0.00 C ATOM 1568 CG ASN A 102 3.005 12.575 8.097 1.00 0.00 C ATOM 1569 OD1 ASN A 102 3.632 13.127 8.980 1.00 0.00 O ATOM 1570 ND2 ASN A 102 1.843 13.044 7.725 1.00 0.00 N ATOM 0 H ASN A 102 3.235 8.046 8.195 1.00 0.00 H new ATOM 0 HA ASN A 102 2.733 10.210 8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.617 11.217 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.452 11.419 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.460 13.875 8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.319 12.579 6.984 1.00 0.00 H new ATOM 1577 N GLN A 103 0.577 9.149 7.677 1.00 0.00 N ATOM 1578 CA GLN A 103 -0.725 8.986 7.013 1.00 0.00 C ATOM 1579 C GLN A 103 -0.461 8.957 5.506 1.00 0.00 C ATOM 1580 O GLN A 103 -0.969 9.750 4.738 1.00 0.00 O ATOM 1581 CB GLN A 103 -1.634 10.137 7.408 1.00 0.00 C ATOM 1582 CG GLN A 103 -2.452 9.754 8.651 1.00 0.00 C ATOM 1583 CD GLN A 103 -3.459 8.658 8.292 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -3.476 8.170 7.079 1.00 0.00 O flip ATOM 1585 NE2 GLN A 103 -4.238 8.239 9.126 1.00 0.00 N flip ATOM 0 H GLN A 103 0.743 8.524 8.466 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.224 8.063 7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.040 11.027 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.303 10.383 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.788 9.405 9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.975 10.629 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.225 8.619 10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.904 7.507 8.879 1.00 0.00 H new ATOM 1594 N LYS A 104 0.362 8.022 5.123 1.00 0.00 N ATOM 1595 CA LYS A 104 0.752 7.821 3.718 1.00 0.00 C ATOM 1596 C LYS A 104 1.454 9.075 3.178 1.00 0.00 C ATOM 1597 O LYS A 104 2.666 9.112 3.124 1.00 0.00 O ATOM 1598 CB LYS A 104 -0.499 7.421 2.948 1.00 0.00 C ATOM 1599 CG LYS A 104 -0.310 7.589 1.444 1.00 0.00 C ATOM 1600 CD LYS A 104 1.005 6.905 1.010 1.00 0.00 C ATOM 1601 CE LYS A 104 0.947 6.553 -0.481 1.00 0.00 C ATOM 1602 NZ LYS A 104 2.333 6.403 -1.006 1.00 0.00 N ATOM 0 H LYS A 104 0.796 7.361 5.768 1.00 0.00 H new ATOM 0 HA LYS A 104 1.482 7.020 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.748 6.383 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.341 8.029 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.153 7.151 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.284 8.648 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.849 7.567 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.166 6.002 1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.389 5.628 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.420 7.333 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.297 6.164 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.851 7.296 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.820 5.644 -0.488 1.00 0.00 H new ATOM 1616 N TYR A 105 0.750 10.100 2.785 1.00 0.00 N ATOM 1617 CA TYR A 105 1.456 11.322 2.268 1.00 0.00 C ATOM 1618 C TYR A 105 0.683 12.580 2.680 1.00 0.00 C ATOM 1619 O TYR A 105 1.052 13.686 2.334 1.00 0.00 O ATOM 1620 CB TYR A 105 1.590 11.235 0.726 1.00 0.00 C ATOM 1621 CG TYR A 105 3.042 11.344 0.313 1.00 0.00 C ATOM 1622 CD1 TYR A 105 3.898 10.261 0.516 1.00 0.00 C ATOM 1623 CD2 TYR A 105 3.528 12.528 -0.258 1.00 0.00 C ATOM 1624 CE1 TYR A 105 5.240 10.353 0.149 1.00 0.00 C ATOM 1625 CE2 TYR A 105 4.874 12.621 -0.628 1.00 0.00 C ATOM 1626 CZ TYR A 105 5.732 11.533 -0.424 1.00 0.00 C ATOM 1627 OH TYR A 105 7.059 11.623 -0.787 1.00 0.00 O ATOM 0 H TYR A 105 -0.269 10.152 2.796 1.00 0.00 H new ATOM 0 HA TYR A 105 2.456 11.377 2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.175 10.291 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.012 12.033 0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 105 3.521 9.351 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.865 13.367 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.901 9.514 0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 105 5.251 13.531 -1.071 1.00 0.00 H new ATOM 0 HH TYR A 105 7.234 12.508 -1.170 1.00 0.00 H new ATOM 1637 N GLY A 106 -0.376 12.424 3.422 1.00 0.00 N ATOM 1638 CA GLY A 106 -1.161 13.608 3.864 1.00 0.00 C ATOM 1639 C GLY A 106 -2.116 14.056 2.760 1.00 0.00 C ATOM 1640 O GLY A 106 -1.782 14.998 2.061 1.00 0.00 O ATOM 1641 OXT GLY A 106 -3.170 13.454 2.635 1.00 0.00 O ATOM 0 H GLY A 106 -0.733 11.524 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.725 13.363 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.486 14.424 4.123 1.00 0.00 H new TER 1645 GLY A 106