USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 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 93 GLN : amide:sc= -5.71! K(o=-5.7!,f=-0.65) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 ASN : amide:sc= -3.46! K(o=-3.5!,f=-0.022) USER MOD Set 3.1: A 13 ASN : amide:sc= -4.53 K(o=-7.7,f=-10!) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 169:sc= -3.22! (180deg=-3.3!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -5.01! C(o=-5!,f=-3.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.0169 (180deg=-0.21) USER MOD Single : A 22 ASN : amide:sc= -5.84! C(o=-5.8!,f=-5.2!) USER MOD Single : A 25 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.3) USER MOD Single : A 31 THR OG1 : rot 38:sc= 0.312 USER MOD Single : A 33 MET CE :methyl 170:sc= -0.408 (180deg=-0.782) USER MOD Single : A 41 GLN : amide:sc= -5.92! C(o=-5.9!,f=-7.2!) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc=-0.00245 (180deg=-0.158) USER MOD Single : A 44 THR OG1 : rot 60:sc= 0.0133 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.125 (180deg=-0.791) USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -1.03 (180deg=-1.76) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -133:sc= -0.0289 (180deg=-1.02) USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -0.0222 (180deg=-0.64) USER MOD Single : A 63 HIS : no HD1:sc= -7.21! C(o=-7.2!,f=-8!) USER MOD Single : A 71 GLN : amide:sc= -7.53! C(o=-7.5!,f=-10!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -0.111 (180deg=-0.656) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= -0.264 (180deg=-1.4!) USER MOD Single : A 88 GLN : amide:sc= -0.0948 X(o=-0.095,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.72! C(o=-2.7!,f=-2.1!) USER MOD Single : A 103 GLN : amide:sc= -9.86! C(o=-9.9!,f=-4.4!) 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 15.240 6.193 10.960 1.00 0.00 N ATOM 2 CA ALA A 1 14.656 5.794 9.648 1.00 0.00 C ATOM 3 C ALA A 1 13.362 5.011 9.882 1.00 0.00 C ATOM 4 O ALA A 1 13.253 3.853 9.535 1.00 0.00 O ATOM 5 CB ALA A 1 15.655 4.915 8.893 1.00 0.00 C ATOM 0 H1 ALA A 1 16.119 6.725 10.801 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.562 6.791 11.475 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.447 5.342 11.521 1.00 0.00 H new ATOM 0 HA ALA A 1 14.439 6.686 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.229 4.622 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.577 5.472 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.872 4.023 9.481 1.00 0.00 H new ATOM 13 N ASP A 2 12.379 5.638 10.468 1.00 0.00 N ATOM 14 CA ASP A 2 11.090 4.935 10.732 1.00 0.00 C ATOM 15 C ASP A 2 10.197 5.042 9.502 1.00 0.00 C ATOM 16 O ASP A 2 9.279 4.269 9.315 1.00 0.00 O ATOM 17 CB ASP A 2 10.380 5.624 11.896 1.00 0.00 C ATOM 18 CG ASP A 2 10.980 5.159 13.225 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.727 4.027 13.603 1.00 0.00 O ATOM 20 OD2 ASP A 2 11.684 5.941 13.840 1.00 0.00 O ATOM 0 H ASP A 2 12.412 6.610 10.776 1.00 0.00 H new ATOM 0 HA ASP A 2 11.287 3.889 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.477 6.706 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.314 5.396 11.869 1.00 0.00 H new ATOM 25 N LEU A 3 10.459 6.000 8.667 1.00 0.00 N ATOM 26 CA LEU A 3 9.629 6.175 7.448 1.00 0.00 C ATOM 27 C LEU A 3 10.234 5.340 6.328 1.00 0.00 C ATOM 28 O LEU A 3 9.558 4.584 5.664 1.00 0.00 O ATOM 29 CB LEU A 3 9.610 7.651 7.033 1.00 0.00 C ATOM 30 CG LEU A 3 9.182 8.528 8.217 1.00 0.00 C ATOM 31 CD1 LEU A 3 9.200 9.997 7.789 1.00 0.00 C ATOM 32 CD2 LEU A 3 7.766 8.140 8.671 1.00 0.00 C ATOM 0 H LEU A 3 11.217 6.674 8.776 1.00 0.00 H new ATOM 0 HA LEU A 3 8.607 5.854 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.599 7.952 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.923 7.793 6.199 1.00 0.00 H new ATOM 0 HG LEU A 3 9.874 8.379 9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.896 10.624 8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.207 10.272 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.509 10.142 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.469 8.767 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.067 8.284 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.756 7.094 8.977 1.00 0.00 H new ATOM 44 N GLU A 4 11.518 5.454 6.137 1.00 0.00 N ATOM 45 CA GLU A 4 12.185 4.652 5.084 1.00 0.00 C ATOM 46 C GLU A 4 12.032 3.195 5.472 1.00 0.00 C ATOM 47 O GLU A 4 12.081 2.296 4.652 1.00 0.00 O ATOM 48 CB GLU A 4 13.668 5.019 5.023 1.00 0.00 C ATOM 49 CG GLU A 4 13.822 6.539 5.117 1.00 0.00 C ATOM 50 CD GLU A 4 15.273 6.926 4.826 1.00 0.00 C ATOM 51 OE1 GLU A 4 16.095 6.775 5.715 1.00 0.00 O ATOM 52 OE2 GLU A 4 15.538 7.365 3.720 1.00 0.00 O ATOM 0 H GLU A 4 12.133 6.071 6.668 1.00 0.00 H new ATOM 0 HA GLU A 4 11.743 4.842 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.207 4.537 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.106 4.655 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.155 7.027 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.535 6.883 6.111 1.00 0.00 H new ATOM 59 N ASP A 5 11.842 2.966 6.737 1.00 0.00 N ATOM 60 CA ASP A 5 11.682 1.579 7.218 1.00 0.00 C ATOM 61 C ASP A 5 10.298 1.065 6.790 1.00 0.00 C ATOM 62 O ASP A 5 10.161 -0.025 6.272 1.00 0.00 O ATOM 63 CB ASP A 5 11.813 1.602 8.747 1.00 0.00 C ATOM 64 CG ASP A 5 11.114 0.392 9.380 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.475 -0.722 9.038 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.233 0.603 10.198 1.00 0.00 O ATOM 0 H ASP A 5 11.791 3.685 7.458 1.00 0.00 H new ATOM 0 HA ASP A 5 12.438 0.916 6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.867 1.603 9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.379 2.522 9.138 1.00 0.00 H new ATOM 71 N ASN A 6 9.275 1.848 7.009 1.00 0.00 N ATOM 72 CA ASN A 6 7.906 1.415 6.625 1.00 0.00 C ATOM 73 C ASN A 6 7.920 1.020 5.138 1.00 0.00 C ATOM 74 O ASN A 6 7.277 0.078 4.725 1.00 0.00 O ATOM 75 CB ASN A 6 6.921 2.580 6.906 1.00 0.00 C ATOM 76 CG ASN A 6 5.893 2.733 5.777 1.00 0.00 C ATOM 77 OD1 ASN A 6 4.709 2.551 5.982 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.310 3.064 4.587 1.00 0.00 N ATOM 0 H ASN A 6 9.332 2.771 7.439 1.00 0.00 H new ATOM 0 HA ASN A 6 7.581 0.551 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.404 2.401 7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.479 3.510 7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.642 3.171 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.305 3.216 4.419 1.00 0.00 H new ATOM 85 N TRP A 7 8.639 1.750 4.333 1.00 0.00 N ATOM 86 CA TRP A 7 8.690 1.435 2.875 1.00 0.00 C ATOM 87 C TRP A 7 9.143 -0.011 2.678 1.00 0.00 C ATOM 88 O TRP A 7 8.482 -0.792 2.033 1.00 0.00 O ATOM 89 CB TRP A 7 9.684 2.385 2.174 1.00 0.00 C ATOM 90 CG TRP A 7 9.010 3.662 1.769 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.419 4.540 2.612 1.00 0.00 C ATOM 92 CD2 TRP A 7 8.864 4.220 0.431 1.00 0.00 C ATOM 93 NE1 TRP A 7 7.921 5.602 1.876 1.00 0.00 N ATOM 94 CE2 TRP A 7 8.171 5.450 0.528 1.00 0.00 C ATOM 95 CE3 TRP A 7 9.263 3.784 -0.846 1.00 0.00 C ATOM 96 CZ2 TRP A 7 7.883 6.218 -0.599 1.00 0.00 C ATOM 97 CZ3 TRP A 7 8.974 4.555 -1.984 1.00 0.00 C ATOM 98 CH2 TRP A 7 8.286 5.769 -1.860 1.00 0.00 C ATOM 0 H TRP A 7 9.196 2.554 4.621 1.00 0.00 H new ATOM 0 HA TRP A 7 7.698 1.566 2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.516 2.605 2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.102 1.895 1.295 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.347 4.430 3.684 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.430 6.399 2.281 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.795 2.850 -0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.352 7.153 -0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.284 4.210 -2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.067 6.358 -2.738 1.00 0.00 H new ATOM 109 N GLU A 8 10.270 -0.380 3.210 1.00 0.00 N ATOM 110 CA GLU A 8 10.736 -1.763 3.015 1.00 0.00 C ATOM 111 C GLU A 8 9.632 -2.740 3.418 1.00 0.00 C ATOM 112 O GLU A 8 9.535 -3.826 2.884 1.00 0.00 O ATOM 113 CB GLU A 8 11.968 -2.002 3.882 1.00 0.00 C ATOM 114 CG GLU A 8 12.636 -3.300 3.452 1.00 0.00 C ATOM 115 CD GLU A 8 13.646 -3.742 4.514 1.00 0.00 C ATOM 116 OE1 GLU A 8 13.629 -3.174 5.594 1.00 0.00 O ATOM 117 OE2 GLU A 8 14.419 -4.641 4.229 1.00 0.00 O ATOM 0 H GLU A 8 10.881 0.217 3.767 1.00 0.00 H new ATOM 0 HA GLU A 8 10.987 -1.919 1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.665 -1.170 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.684 -2.056 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.884 -4.076 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.139 -3.161 2.495 1.00 0.00 H new ATOM 124 N THR A 9 8.793 -2.375 4.351 1.00 0.00 N ATOM 125 CA THR A 9 7.713 -3.315 4.754 1.00 0.00 C ATOM 126 C THR A 9 6.704 -3.456 3.614 1.00 0.00 C ATOM 127 O THR A 9 6.565 -4.515 3.035 1.00 0.00 O ATOM 128 CB THR A 9 7.009 -2.824 6.025 1.00 0.00 C ATOM 129 OG1 THR A 9 7.928 -2.842 7.109 1.00 0.00 O ATOM 130 CG2 THR A 9 5.830 -3.746 6.339 1.00 0.00 C ATOM 0 H THR A 9 8.809 -1.482 4.843 1.00 0.00 H new ATOM 0 HA THR A 9 8.157 -4.287 4.966 1.00 0.00 H new ATOM 0 HB THR A 9 6.645 -1.808 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.481 -2.527 7.922 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.328 -3.399 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.127 -3.735 5.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.194 -4.762 6.493 1.00 0.00 H new ATOM 138 N LEU A 10 6.000 -2.409 3.274 1.00 0.00 N ATOM 139 CA LEU A 10 5.020 -2.538 2.158 1.00 0.00 C ATOM 140 C LEU A 10 5.772 -2.994 0.902 1.00 0.00 C ATOM 141 O LEU A 10 5.235 -3.684 0.057 1.00 0.00 O ATOM 142 CB LEU A 10 4.287 -1.204 1.906 1.00 0.00 C ATOM 143 CG LEU A 10 5.289 -0.049 1.652 1.00 0.00 C ATOM 144 CD1 LEU A 10 5.474 0.190 0.146 1.00 0.00 C ATOM 145 CD2 LEU A 10 4.771 1.247 2.292 1.00 0.00 C ATOM 0 H LEU A 10 6.058 -1.489 3.710 1.00 0.00 H new ATOM 0 HA LEU A 10 4.262 -3.275 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.624 -1.308 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.661 -0.963 2.765 1.00 0.00 H new ATOM 0 HG LEU A 10 6.245 -0.331 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.181 1.005 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.857 -0.717 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.515 0.452 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.482 2.053 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.806 1.508 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.657 1.102 3.366 1.00 0.00 H new ATOM 157 N ASN A 11 7.021 -2.625 0.773 1.00 0.00 N ATOM 158 CA ASN A 11 7.798 -3.070 -0.421 1.00 0.00 C ATOM 159 C ASN A 11 8.098 -4.575 -0.298 1.00 0.00 C ATOM 160 O ASN A 11 7.712 -5.376 -1.132 1.00 0.00 O ATOM 161 CB ASN A 11 9.110 -2.270 -0.530 1.00 0.00 C ATOM 162 CG ASN A 11 9.571 -2.214 -1.995 1.00 0.00 C ATOM 163 OD1 ASN A 11 10.234 -1.278 -2.396 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.245 -3.179 -2.818 1.00 0.00 N ATOM 0 H ASN A 11 7.531 -2.041 1.436 1.00 0.00 H new ATOM 0 HA ASN A 11 7.212 -2.892 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.963 -1.260 -0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.881 -2.734 0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.548 -3.143 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.689 -3.967 -2.486 1.00 0.00 H new ATOM 171 N ASP A 12 8.795 -4.960 0.746 1.00 0.00 N ATOM 172 CA ASP A 12 9.139 -6.402 0.944 1.00 0.00 C ATOM 173 C ASP A 12 7.858 -7.235 0.982 1.00 0.00 C ATOM 174 O ASP A 12 7.885 -8.450 0.874 1.00 0.00 O ATOM 175 CB ASP A 12 9.895 -6.569 2.264 1.00 0.00 C ATOM 176 CG ASP A 12 10.141 -8.055 2.529 1.00 0.00 C ATOM 177 OD1 ASP A 12 10.460 -8.760 1.586 1.00 0.00 O ATOM 178 OD2 ASP A 12 10.007 -8.464 3.671 1.00 0.00 O ATOM 0 H ASP A 12 9.141 -4.333 1.472 1.00 0.00 H new ATOM 0 HA ASP A 12 9.766 -6.741 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.844 -6.035 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.320 -6.134 3.082 1.00 0.00 H new ATOM 183 N ASN A 13 6.735 -6.591 1.108 1.00 0.00 N ATOM 184 CA ASN A 13 5.452 -7.328 1.135 1.00 0.00 C ATOM 185 C ASN A 13 5.182 -7.818 -0.291 1.00 0.00 C ATOM 186 O ASN A 13 4.928 -8.976 -0.527 1.00 0.00 O ATOM 187 CB ASN A 13 4.333 -6.350 1.556 1.00 0.00 C ATOM 188 CG ASN A 13 3.825 -6.615 2.981 1.00 0.00 C ATOM 189 OD1 ASN A 13 3.703 -7.749 3.401 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.522 -5.587 3.747 1.00 0.00 N ATOM 0 H ASN A 13 6.654 -5.578 1.194 1.00 0.00 H new ATOM 0 HA ASN A 13 5.487 -8.165 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.705 -5.328 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.501 -6.432 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.183 -5.741 4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.626 -4.637 3.390 1.00 0.00 H new ATOM 197 N LEU A 14 5.234 -6.916 -1.232 1.00 0.00 N ATOM 198 CA LEU A 14 4.967 -7.273 -2.652 1.00 0.00 C ATOM 199 C LEU A 14 5.897 -8.388 -3.113 1.00 0.00 C ATOM 200 O LEU A 14 5.576 -9.142 -4.017 1.00 0.00 O ATOM 201 CB LEU A 14 5.202 -6.032 -3.513 1.00 0.00 C ATOM 202 CG LEU A 14 4.116 -4.979 -3.208 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.669 -3.569 -3.446 1.00 0.00 C ATOM 204 CD2 LEU A 14 2.901 -5.209 -4.116 1.00 0.00 C ATOM 0 H LEU A 14 5.454 -5.933 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 14 3.939 -7.621 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.190 -5.619 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.177 -6.300 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 14 3.815 -5.075 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.895 -2.833 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.525 -3.399 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.980 -3.471 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.137 -4.463 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.205 -5.122 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.497 -6.206 -3.938 1.00 0.00 H new ATOM 216 N LYS A 15 7.043 -8.516 -2.512 1.00 0.00 N ATOM 217 CA LYS A 15 7.959 -9.596 -2.950 1.00 0.00 C ATOM 218 C LYS A 15 7.361 -10.946 -2.570 1.00 0.00 C ATOM 219 O LYS A 15 7.185 -11.805 -3.407 1.00 0.00 O ATOM 220 CB LYS A 15 9.326 -9.449 -2.271 1.00 0.00 C ATOM 221 CG LYS A 15 10.337 -10.411 -2.933 1.00 0.00 C ATOM 222 CD LYS A 15 11.439 -10.785 -1.933 1.00 0.00 C ATOM 223 CE LYS A 15 12.106 -9.516 -1.400 1.00 0.00 C ATOM 224 NZ LYS A 15 13.344 -9.887 -0.657 1.00 0.00 N ATOM 0 H LYS A 15 7.380 -7.929 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 15 8.089 -9.529 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.677 -8.421 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.241 -9.670 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.825 -11.310 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.777 -9.940 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.015 -11.358 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.181 -11.421 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.349 -8.845 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.421 -8.979 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.801 -9.027 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.098 -10.512 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.998 -10.382 -1.297 1.00 0.00 H new ATOM 238 N VAL A 16 7.061 -11.156 -1.317 1.00 0.00 N ATOM 239 CA VAL A 16 6.501 -12.486 -0.924 1.00 0.00 C ATOM 240 C VAL A 16 5.272 -12.822 -1.768 1.00 0.00 C ATOM 241 O VAL A 16 4.905 -13.965 -1.871 1.00 0.00 O ATOM 242 CB VAL A 16 6.124 -12.536 0.563 1.00 0.00 C ATOM 243 CG1 VAL A 16 7.392 -12.544 1.409 1.00 0.00 C ATOM 244 CG2 VAL A 16 5.240 -11.343 0.944 1.00 0.00 C ATOM 0 H VAL A 16 7.175 -10.482 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 16 7.283 -13.224 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 16 5.557 -13.448 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.125 -12.579 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.992 -13.418 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.967 -11.640 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.986 -11.401 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.778 -10.415 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.326 -11.363 0.350 1.00 0.00 H new ATOM 254 N ILE A 17 4.625 -11.864 -2.376 1.00 0.00 N ATOM 255 CA ILE A 17 3.436 -12.224 -3.210 1.00 0.00 C ATOM 256 C ILE A 17 3.913 -12.941 -4.482 1.00 0.00 C ATOM 257 O ILE A 17 3.758 -14.140 -4.633 1.00 0.00 O ATOM 258 CB ILE A 17 2.648 -10.967 -3.586 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.522 -10.081 -2.357 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.252 -11.363 -4.074 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.654 -8.867 -2.686 1.00 0.00 C ATOM 0 H ILE A 17 4.858 -10.872 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 17 2.782 -12.883 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 17 3.166 -10.430 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.081 -10.644 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.509 -9.756 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.692 -10.467 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.342 -12.009 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.727 -11.896 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.565 -8.233 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.114 -8.300 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.663 -9.201 -2.994 1.00 0.00 H new ATOM 273 N GLU A 18 4.510 -12.222 -5.395 1.00 0.00 N ATOM 274 CA GLU A 18 5.004 -12.876 -6.645 1.00 0.00 C ATOM 275 C GLU A 18 5.797 -14.126 -6.262 1.00 0.00 C ATOM 276 O GLU A 18 5.883 -15.078 -7.013 1.00 0.00 O ATOM 277 CB GLU A 18 5.902 -11.892 -7.419 1.00 0.00 C ATOM 278 CG GLU A 18 5.463 -10.453 -7.116 1.00 0.00 C ATOM 279 CD GLU A 18 5.902 -9.521 -8.250 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.248 -9.525 -9.280 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.884 -8.821 -8.069 1.00 0.00 O ATOM 0 H GLU A 18 4.677 -11.218 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 18 4.165 -13.158 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.945 -12.033 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.835 -12.086 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.380 -10.412 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.899 -10.122 -6.173 1.00 0.00 H new ATOM 288 N LYS A 19 6.371 -14.120 -5.088 1.00 0.00 N ATOM 289 CA LYS A 19 7.164 -15.298 -4.619 1.00 0.00 C ATOM 290 C LYS A 19 6.315 -16.119 -3.632 1.00 0.00 C ATOM 291 O LYS A 19 6.758 -17.127 -3.119 1.00 0.00 O ATOM 292 CB LYS A 19 8.462 -14.804 -3.924 1.00 0.00 C ATOM 293 CG LYS A 19 9.684 -15.046 -4.828 1.00 0.00 C ATOM 294 CD LYS A 19 9.640 -14.115 -6.072 1.00 0.00 C ATOM 295 CE LYS A 19 10.750 -13.059 -5.990 1.00 0.00 C ATOM 296 NZ LYS A 19 12.077 -13.724 -6.139 1.00 0.00 N ATOM 0 H LYS A 19 6.325 -13.344 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 19 7.434 -15.925 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.377 -13.742 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.595 -15.325 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.600 -14.866 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.705 -16.088 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.758 -14.706 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.668 -13.626 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.615 -12.312 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.699 -12.534 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.774 -13.035 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.386 -14.093 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.998 -14.508 -6.817 1.00 0.00 H new ATOM 310 N ALA A 20 5.104 -15.705 -3.363 1.00 0.00 N ATOM 311 CA ALA A 20 4.259 -16.486 -2.412 1.00 0.00 C ATOM 312 C ALA A 20 4.090 -17.886 -2.979 1.00 0.00 C ATOM 313 O ALA A 20 4.178 -18.872 -2.280 1.00 0.00 O ATOM 314 CB ALA A 20 2.873 -15.836 -2.253 1.00 0.00 C ATOM 0 H ALA A 20 4.668 -14.870 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 20 4.740 -16.512 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.274 -16.422 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.988 -14.822 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.373 -15.803 -3.221 1.00 0.00 H new ATOM 320 N ASP A 21 3.838 -17.952 -4.255 1.00 0.00 N ATOM 321 CA ASP A 21 3.647 -19.261 -4.944 1.00 0.00 C ATOM 322 C ASP A 21 2.473 -20.041 -4.331 1.00 0.00 C ATOM 323 O ASP A 21 2.046 -21.041 -4.875 1.00 0.00 O ATOM 324 CB ASP A 21 4.936 -20.088 -4.862 1.00 0.00 C ATOM 325 CG ASP A 21 5.969 -19.529 -5.844 1.00 0.00 C ATOM 326 OD1 ASP A 21 5.772 -18.418 -6.309 1.00 0.00 O ATOM 327 OD2 ASP A 21 6.937 -20.219 -6.113 1.00 0.00 O ATOM 0 H ASP A 21 3.754 -17.138 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 21 3.413 -19.067 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.333 -20.062 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.726 -21.132 -5.095 1.00 0.00 H new ATOM 332 N ASN A 22 1.923 -19.595 -3.222 1.00 0.00 N ATOM 333 CA ASN A 22 0.753 -20.325 -2.622 1.00 0.00 C ATOM 334 C ASN A 22 -0.190 -19.325 -1.957 1.00 0.00 C ATOM 335 O ASN A 22 0.232 -18.356 -1.368 1.00 0.00 O ATOM 336 CB ASN A 22 1.203 -21.352 -1.573 1.00 0.00 C ATOM 337 CG ASN A 22 2.518 -21.965 -2.000 1.00 0.00 C ATOM 338 OD1 ASN A 22 2.633 -23.163 -2.161 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.520 -21.178 -2.194 1.00 0.00 N ATOM 0 H ASN A 22 2.229 -18.767 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 22 0.245 -20.853 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.312 -20.871 -0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.447 -22.129 -1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.420 -21.560 -2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.413 -20.173 -2.056 1.00 0.00 H new ATOM 346 N ALA A 23 -1.464 -19.568 -2.047 1.00 0.00 N ATOM 347 CA ALA A 23 -2.469 -18.647 -1.438 1.00 0.00 C ATOM 348 C ALA A 23 -2.193 -18.424 0.050 1.00 0.00 C ATOM 349 O ALA A 23 -2.515 -17.385 0.583 1.00 0.00 O ATOM 350 CB ALA A 23 -3.862 -19.249 -1.606 1.00 0.00 C ATOM 0 H ALA A 23 -1.862 -20.377 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.404 -17.684 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.602 -18.582 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.077 -19.378 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.902 -20.218 -1.108 1.00 0.00 H new ATOM 356 N ALA A 24 -1.621 -19.377 0.730 1.00 0.00 N ATOM 357 CA ALA A 24 -1.365 -19.190 2.189 1.00 0.00 C ATOM 358 C ALA A 24 -0.417 -18.007 2.410 1.00 0.00 C ATOM 359 O ALA A 24 -0.685 -17.125 3.201 1.00 0.00 O ATOM 360 CB ALA A 24 -0.732 -20.460 2.762 1.00 0.00 C ATOM 0 H ALA A 24 -1.321 -20.272 0.344 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.311 -18.989 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.545 -20.324 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.409 -21.302 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.210 -20.660 2.251 1.00 0.00 H new ATOM 366 N GLN A 25 0.690 -17.984 1.726 1.00 0.00 N ATOM 367 CA GLN A 25 1.659 -16.871 1.898 1.00 0.00 C ATOM 368 C GLN A 25 1.077 -15.564 1.341 1.00 0.00 C ATOM 369 O GLN A 25 1.525 -14.486 1.680 1.00 0.00 O ATOM 370 CB GLN A 25 2.957 -17.221 1.162 1.00 0.00 C ATOM 371 CG GLN A 25 3.257 -18.723 1.307 1.00 0.00 C ATOM 372 CD GLN A 25 4.749 -18.981 1.088 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.460 -19.334 2.008 1.00 0.00 O ATOM 374 NE2 GLN A 25 5.255 -18.818 -0.102 1.00 0.00 N ATOM 0 H GLN A 25 0.967 -18.695 1.049 1.00 0.00 H new ATOM 0 HA GLN A 25 1.863 -16.731 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.868 -16.960 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.783 -16.636 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.961 -19.067 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.671 -19.291 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.658 -18.522 -0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.248 -18.987 -0.261 1.00 0.00 H new ATOM 383 N VAL A 26 0.081 -15.643 0.498 1.00 0.00 N ATOM 384 CA VAL A 26 -0.514 -14.383 -0.057 1.00 0.00 C ATOM 385 C VAL A 26 -1.306 -13.688 1.047 1.00 0.00 C ATOM 386 O VAL A 26 -1.118 -12.515 1.298 1.00 0.00 O ATOM 387 CB VAL A 26 -1.454 -14.668 -1.242 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.959 -13.343 -1.845 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.708 -15.439 -2.335 1.00 0.00 C ATOM 0 H VAL A 26 -0.344 -16.511 0.171 1.00 0.00 H new ATOM 0 HA VAL A 26 0.299 -13.751 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.294 -15.259 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.623 -13.554 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.501 -12.781 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.110 -12.755 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.383 -15.635 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.138 -14.847 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.347 -16.385 -1.931 1.00 0.00 H new ATOM 399 N LYS A 27 -2.185 -14.385 1.729 1.00 0.00 N ATOM 400 CA LYS A 27 -2.941 -13.705 2.811 1.00 0.00 C ATOM 401 C LYS A 27 -1.917 -13.093 3.744 1.00 0.00 C ATOM 402 O LYS A 27 -1.910 -11.913 4.019 1.00 0.00 O ATOM 403 CB LYS A 27 -3.745 -14.713 3.638 1.00 0.00 C ATOM 404 CG LYS A 27 -4.859 -15.396 2.800 1.00 0.00 C ATOM 405 CD LYS A 27 -4.677 -16.922 2.852 1.00 0.00 C ATOM 406 CE LYS A 27 -4.889 -17.440 4.282 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.453 -18.818 4.226 1.00 0.00 N ATOM 0 H LYS A 27 -2.403 -15.371 1.584 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.620 -12.974 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.073 -15.473 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.193 -14.205 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.840 -15.123 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.817 -15.049 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.385 -17.402 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.677 -17.187 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.943 -17.443 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.565 -16.779 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.598 -19.173 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.363 -18.800 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.792 -19.444 3.723 1.00 0.00 H new ATOM 421 N ASP A 28 -1.043 -13.928 4.215 1.00 0.00 N ATOM 422 CA ASP A 28 0.022 -13.485 5.142 1.00 0.00 C ATOM 423 C ASP A 28 0.736 -12.263 4.566 1.00 0.00 C ATOM 424 O ASP A 28 1.106 -11.351 5.279 1.00 0.00 O ATOM 425 CB ASP A 28 1.032 -14.624 5.292 1.00 0.00 C ATOM 426 CG ASP A 28 0.296 -15.912 5.669 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.776 -15.812 6.244 1.00 0.00 O ATOM 428 OD2 ASP A 28 0.817 -16.975 5.375 1.00 0.00 O ATOM 0 H ASP A 28 -1.023 -14.923 3.990 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.413 -13.225 6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.579 -14.765 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.766 -14.375 6.058 1.00 0.00 H new ATOM 433 N ALA A 29 0.943 -12.242 3.280 1.00 0.00 N ATOM 434 CA ALA A 29 1.646 -11.089 2.665 1.00 0.00 C ATOM 435 C ALA A 29 0.780 -9.834 2.764 1.00 0.00 C ATOM 436 O ALA A 29 1.148 -8.858 3.386 1.00 0.00 O ATOM 437 CB ALA A 29 1.925 -11.383 1.192 1.00 0.00 C ATOM 0 H ALA A 29 0.655 -12.974 2.630 1.00 0.00 H new ATOM 0 HA ALA A 29 2.584 -10.927 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.441 -10.534 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.550 -12.272 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.983 -11.552 0.670 1.00 0.00 H new ATOM 443 N LEU A 30 -0.364 -9.848 2.136 1.00 0.00 N ATOM 444 CA LEU A 30 -1.248 -8.651 2.172 1.00 0.00 C ATOM 445 C LEU A 30 -1.668 -8.344 3.616 1.00 0.00 C ATOM 446 O LEU A 30 -2.047 -7.235 3.933 1.00 0.00 O ATOM 447 CB LEU A 30 -2.487 -8.909 1.310 1.00 0.00 C ATOM 448 CG LEU A 30 -2.068 -9.267 -0.124 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.324 -9.454 -0.980 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.202 -8.143 -0.724 1.00 0.00 C ATOM 0 H LEU A 30 -0.724 -10.637 1.600 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.704 -7.792 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.075 -9.721 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.124 -8.024 1.301 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.486 -10.189 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.035 -9.708 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.932 -10.258 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.901 -8.529 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.912 -8.410 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.772 -7.214 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.308 -8.008 -0.115 1.00 0.00 H new ATOM 462 N THR A 31 -1.584 -9.304 4.495 1.00 0.00 N ATOM 463 CA THR A 31 -1.961 -9.038 5.917 1.00 0.00 C ATOM 464 C THR A 31 -1.037 -7.956 6.461 1.00 0.00 C ATOM 465 O THR A 31 -1.461 -7.003 7.089 1.00 0.00 O ATOM 466 CB THR A 31 -1.753 -10.310 6.753 1.00 0.00 C ATOM 467 OG1 THR A 31 -2.487 -11.378 6.177 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.234 -10.100 8.200 1.00 0.00 C ATOM 0 H THR A 31 -1.273 -10.255 4.295 1.00 0.00 H new ATOM 0 HA THR A 31 -3.005 -8.728 5.969 1.00 0.00 H new ATOM 0 HB THR A 31 -0.688 -10.543 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.445 -11.314 5.200 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.076 -11.014 8.772 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.671 -9.285 8.656 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.295 -9.852 8.198 1.00 0.00 H new ATOM 476 N LYS A 32 0.231 -8.114 6.230 1.00 0.00 N ATOM 477 CA LYS A 32 1.216 -7.129 6.735 1.00 0.00 C ATOM 478 C LYS A 32 1.090 -5.818 5.948 1.00 0.00 C ATOM 479 O LYS A 32 1.403 -4.756 6.446 1.00 0.00 O ATOM 480 CB LYS A 32 2.617 -7.732 6.559 1.00 0.00 C ATOM 481 CG LYS A 32 2.910 -8.799 7.667 1.00 0.00 C ATOM 482 CD LYS A 32 4.155 -8.419 8.491 1.00 0.00 C ATOM 483 CE LYS A 32 5.426 -8.772 7.712 1.00 0.00 C ATOM 484 NZ LYS A 32 5.300 -8.303 6.304 1.00 0.00 N ATOM 0 H LYS A 32 0.631 -8.893 5.707 1.00 0.00 H new ATOM 0 HA LYS A 32 1.036 -6.908 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.698 -8.193 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.366 -6.941 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.047 -8.888 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.060 -9.775 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.141 -7.353 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.145 -8.946 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.293 -8.309 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.589 -9.849 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.223 -8.374 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.607 -8.894 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.981 -7.313 6.295 1.00 0.00 H new ATOM 498 N MET A 33 0.613 -5.872 4.733 1.00 0.00 N ATOM 499 CA MET A 33 0.447 -4.612 3.950 1.00 0.00 C ATOM 500 C MET A 33 -0.639 -3.772 4.595 1.00 0.00 C ATOM 501 O MET A 33 -0.397 -2.706 5.125 1.00 0.00 O ATOM 502 CB MET A 33 0.005 -4.934 2.527 1.00 0.00 C ATOM 503 CG MET A 33 1.153 -5.579 1.762 1.00 0.00 C ATOM 504 SD MET A 33 0.787 -5.563 -0.013 1.00 0.00 S ATOM 505 CE MET A 33 1.838 -4.156 -0.461 1.00 0.00 C ATOM 0 H MET A 33 0.333 -6.726 4.251 1.00 0.00 H new ATOM 0 HA MET A 33 1.398 -4.079 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.853 -5.606 2.547 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.314 -4.023 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.081 -5.041 1.957 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.301 -6.603 2.104 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.901 -4.080 -1.547 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.409 -3.239 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.836 -4.302 -0.049 1.00 0.00 H new ATOM 515 N ARG A 34 -1.848 -4.258 4.542 1.00 0.00 N ATOM 516 CA ARG A 34 -2.984 -3.503 5.142 1.00 0.00 C ATOM 517 C ARG A 34 -2.573 -3.073 6.547 1.00 0.00 C ATOM 518 O ARG A 34 -3.090 -2.123 7.103 1.00 0.00 O ATOM 519 CB ARG A 34 -4.240 -4.400 5.185 1.00 0.00 C ATOM 520 CG ARG A 34 -5.529 -3.543 5.243 1.00 0.00 C ATOM 521 CD ARG A 34 -6.726 -4.328 4.676 1.00 0.00 C ATOM 522 NE ARG A 34 -7.867 -3.393 4.447 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.815 -3.256 5.348 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.709 -3.844 6.510 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.861 -2.516 5.094 1.00 0.00 N ATOM 0 H ARG A 34 -2.099 -5.147 4.109 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.222 -2.623 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.264 -5.041 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.194 -5.055 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.733 -3.252 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.387 -2.624 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.447 -4.814 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.020 -5.116 5.370 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.912 -2.854 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.889 -4.412 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.447 -3.735 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.944 -2.042 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.594 -2.412 5.795 1.00 0.00 H new ATOM 539 N ALA A 35 -1.610 -3.754 7.107 1.00 0.00 N ATOM 540 CA ALA A 35 -1.122 -3.374 8.460 1.00 0.00 C ATOM 541 C ALA A 35 -0.265 -2.111 8.330 1.00 0.00 C ATOM 542 O ALA A 35 -0.592 -1.065 8.859 1.00 0.00 O ATOM 543 CB ALA A 35 -0.287 -4.516 9.053 1.00 0.00 C ATOM 0 H ALA A 35 -1.142 -4.556 6.685 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.967 -3.183 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.067 -4.231 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.901 -5.413 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.567 -4.716 8.406 1.00 0.00 H new ATOM 549 N ALA A 36 0.831 -2.197 7.619 1.00 0.00 N ATOM 550 CA ALA A 36 1.701 -0.998 7.452 1.00 0.00 C ATOM 551 C ALA A 36 0.941 0.083 6.682 1.00 0.00 C ATOM 552 O ALA A 36 1.179 1.262 6.854 1.00 0.00 O ATOM 553 CB ALA A 36 2.964 -1.385 6.680 1.00 0.00 C ATOM 0 H ALA A 36 1.158 -3.042 7.150 1.00 0.00 H new ATOM 0 HA ALA A 36 1.980 -0.614 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.599 -0.508 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.507 -2.152 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.687 -1.771 5.699 1.00 0.00 H new ATOM 559 N ALA A 37 0.021 -0.303 5.839 1.00 0.00 N ATOM 560 CA ALA A 37 -0.750 0.715 5.073 1.00 0.00 C ATOM 561 C ALA A 37 -1.461 1.636 6.063 1.00 0.00 C ATOM 562 O ALA A 37 -1.496 2.840 5.896 1.00 0.00 O ATOM 563 CB ALA A 37 -1.780 0.021 4.180 1.00 0.00 C ATOM 0 H ALA A 37 -0.228 -1.274 5.649 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.075 1.296 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.341 0.770 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.269 -0.643 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.465 -0.560 4.798 1.00 0.00 H new ATOM 569 N LEU A 38 -2.017 1.078 7.103 1.00 0.00 N ATOM 570 CA LEU A 38 -2.711 1.921 8.110 1.00 0.00 C ATOM 571 C LEU A 38 -1.674 2.806 8.797 1.00 0.00 C ATOM 572 O LEU A 38 -1.973 3.894 9.250 1.00 0.00 O ATOM 573 CB LEU A 38 -3.387 1.027 9.156 1.00 0.00 C ATOM 574 CG LEU A 38 -4.552 0.244 8.518 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.847 -1.008 9.350 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.818 1.113 8.466 1.00 0.00 C ATOM 0 H LEU A 38 -2.020 0.077 7.297 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.469 2.534 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.659 0.332 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.758 1.636 9.980 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.265 -0.037 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.671 -1.560 8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.960 -1.641 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.120 -0.715 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.631 0.545 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.100 1.406 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.623 2.005 7.871 1.00 0.00 H new ATOM 588 N ASP A 39 -0.451 2.350 8.878 1.00 0.00 N ATOM 589 CA ASP A 39 0.605 3.171 9.537 1.00 0.00 C ATOM 590 C ASP A 39 1.216 4.142 8.523 1.00 0.00 C ATOM 591 O ASP A 39 1.565 5.256 8.858 1.00 0.00 O ATOM 592 CB ASP A 39 1.697 2.250 10.085 1.00 0.00 C ATOM 593 CG ASP A 39 2.621 3.043 11.010 1.00 0.00 C ATOM 594 OD1 ASP A 39 2.155 3.476 12.052 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.778 3.205 10.661 1.00 0.00 O ATOM 0 H ASP A 39 -0.140 1.448 8.518 1.00 0.00 H new ATOM 0 HA ASP A 39 0.162 3.739 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.247 1.419 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.270 1.820 9.264 1.00 0.00 H new ATOM 600 N ALA A 40 1.351 3.737 7.289 1.00 0.00 N ATOM 601 CA ALA A 40 1.941 4.658 6.276 1.00 0.00 C ATOM 602 C ALA A 40 1.135 5.955 6.255 1.00 0.00 C ATOM 603 O ALA A 40 1.654 7.017 5.986 1.00 0.00 O ATOM 604 CB ALA A 40 1.907 4.005 4.892 1.00 0.00 C ATOM 0 H ALA A 40 1.081 2.817 6.941 1.00 0.00 H new ATOM 0 HA ALA A 40 2.977 4.872 6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.340 4.685 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.482 3.079 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.875 3.785 4.619 1.00 0.00 H new ATOM 610 N GLN A 41 -0.128 5.879 6.560 1.00 0.00 N ATOM 611 CA GLN A 41 -0.969 7.104 6.586 1.00 0.00 C ATOM 612 C GLN A 41 -0.234 8.181 7.381 1.00 0.00 C ATOM 613 O GLN A 41 -0.028 9.290 6.929 1.00 0.00 O ATOM 614 CB GLN A 41 -2.284 6.767 7.294 1.00 0.00 C ATOM 615 CG GLN A 41 -3.200 8.002 7.336 1.00 0.00 C ATOM 616 CD GLN A 41 -2.908 8.841 8.583 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.489 8.618 9.626 1.00 0.00 O ATOM 618 NE2 GLN A 41 -2.030 9.803 8.519 1.00 0.00 N ATOM 0 H GLN A 41 -0.617 5.015 6.794 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.166 7.459 5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.786 5.951 6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.081 6.422 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.049 8.605 6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.244 7.689 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.542 9.991 7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.831 10.368 9.345 1.00 0.00 H new ATOM 627 N LYS A 42 0.161 7.838 8.568 1.00 0.00 N ATOM 628 CA LYS A 42 0.892 8.794 9.442 1.00 0.00 C ATOM 629 C LYS A 42 2.255 9.133 8.816 1.00 0.00 C ATOM 630 O LYS A 42 3.074 9.793 9.425 1.00 0.00 O ATOM 631 CB LYS A 42 1.113 8.156 10.837 1.00 0.00 C ATOM 632 CG LYS A 42 -0.024 7.175 11.202 1.00 0.00 C ATOM 633 CD LYS A 42 -1.382 7.903 11.315 1.00 0.00 C ATOM 634 CE LYS A 42 -1.639 8.336 12.766 1.00 0.00 C ATOM 635 NZ LYS A 42 -2.002 7.145 13.585 1.00 0.00 N ATOM 0 H LYS A 42 0.006 6.918 8.980 1.00 0.00 H new ATOM 0 HA LYS A 42 0.304 9.706 9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.067 7.629 10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.173 8.941 11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.090 6.394 10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.207 6.684 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.389 8.776 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.183 7.246 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.750 8.815 13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.442 9.072 12.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.494 7.454 14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.627 6.522 13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.139 6.627 13.846 1.00 0.00 H new ATOM 649 N ALA A 43 2.514 8.686 7.615 1.00 0.00 N ATOM 650 CA ALA A 43 3.833 8.992 6.981 1.00 0.00 C ATOM 651 C ALA A 43 3.810 10.394 6.368 1.00 0.00 C ATOM 652 O ALA A 43 2.805 10.847 5.857 1.00 0.00 O ATOM 653 CB ALA A 43 4.134 7.965 5.886 1.00 0.00 C ATOM 0 H ALA A 43 1.876 8.127 7.049 1.00 0.00 H new ATOM 0 HA ALA A 43 4.608 8.947 7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.096 8.193 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.168 6.967 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.353 8.003 5.127 1.00 0.00 H new ATOM 659 N THR A 44 4.925 11.077 6.407 1.00 0.00 N ATOM 660 CA THR A 44 5.000 12.449 5.825 1.00 0.00 C ATOM 661 C THR A 44 6.436 12.716 5.376 1.00 0.00 C ATOM 662 O THR A 44 7.125 13.543 5.940 1.00 0.00 O ATOM 663 CB THR A 44 4.605 13.492 6.880 1.00 0.00 C ATOM 664 OG1 THR A 44 5.193 13.145 8.126 1.00 0.00 O ATOM 665 CG2 THR A 44 3.085 13.532 7.027 1.00 0.00 C ATOM 0 H THR A 44 5.794 10.739 6.821 1.00 0.00 H new ATOM 0 HA THR A 44 4.317 12.520 4.979 1.00 0.00 H new ATOM 0 HB THR A 44 4.959 14.474 6.567 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.169 13.130 8.034 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.811 14.274 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.634 13.799 6.071 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.724 12.552 7.338 1.00 0.00 H new ATOM 673 N PRO A 45 6.883 12.023 4.366 1.00 0.00 N ATOM 674 CA PRO A 45 8.259 12.191 3.830 1.00 0.00 C ATOM 675 C PRO A 45 8.696 13.665 3.718 1.00 0.00 C ATOM 676 O PRO A 45 9.838 13.979 3.986 1.00 0.00 O ATOM 677 CB PRO A 45 8.206 11.513 2.455 1.00 0.00 C ATOM 678 CG PRO A 45 7.136 10.469 2.585 1.00 0.00 C ATOM 679 CD PRO A 45 6.129 10.992 3.625 1.00 0.00 C ATOM 0 HA PRO A 45 9.001 11.751 4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.966 12.230 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.166 11.066 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.647 10.295 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.561 9.517 2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.244 11.411 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.788 10.195 4.286 1.00 0.00 H new ATOM 687 N PRO A 46 7.822 14.574 3.327 1.00 0.00 N ATOM 688 CA PRO A 46 8.165 15.999 3.192 1.00 0.00 C ATOM 689 C PRO A 46 7.630 16.832 4.364 1.00 0.00 C ATOM 690 O PRO A 46 8.232 16.903 5.417 1.00 0.00 O ATOM 691 CB PRO A 46 7.445 16.356 1.888 1.00 0.00 C ATOM 692 CG PRO A 46 6.213 15.476 1.865 1.00 0.00 C ATOM 693 CD PRO A 46 6.413 14.398 2.953 1.00 0.00 C ATOM 0 HA PRO A 46 9.237 16.195 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.176 17.412 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.080 16.168 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.316 16.062 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.084 15.017 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.747 14.551 3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.218 13.396 2.571 1.00 0.00 H new ATOM 701 N LYS A 47 6.507 17.470 4.176 1.00 0.00 N ATOM 702 CA LYS A 47 5.922 18.316 5.259 1.00 0.00 C ATOM 703 C LYS A 47 4.556 18.836 4.795 1.00 0.00 C ATOM 704 O LYS A 47 4.473 19.750 3.999 1.00 0.00 O ATOM 705 CB LYS A 47 6.856 19.508 5.545 1.00 0.00 C ATOM 706 CG LYS A 47 7.540 19.955 4.238 1.00 0.00 C ATOM 707 CD LYS A 47 8.213 21.351 4.404 1.00 0.00 C ATOM 708 CE LYS A 47 9.742 21.210 4.422 1.00 0.00 C ATOM 709 NZ LYS A 47 10.132 20.165 5.410 1.00 0.00 N ATOM 0 H LYS A 47 5.965 17.442 3.313 1.00 0.00 H new ATOM 0 HA LYS A 47 5.806 17.726 6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.287 20.335 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.607 19.225 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.289 19.219 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.804 19.996 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.912 22.006 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.874 21.818 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.105 20.941 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.203 22.163 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.096 20.353 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.470 20.181 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.102 19.230 4.956 1.00 0.00 H new ATOM 723 N LEU A 48 3.479 18.261 5.271 1.00 0.00 N ATOM 724 CA LEU A 48 2.134 18.731 4.831 1.00 0.00 C ATOM 725 C LEU A 48 1.729 19.968 5.638 1.00 0.00 C ATOM 726 O LEU A 48 0.568 20.189 5.923 1.00 0.00 O ATOM 727 CB LEU A 48 1.105 17.597 5.027 1.00 0.00 C ATOM 728 CG LEU A 48 0.072 17.609 3.892 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.707 16.293 3.896 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.904 18.776 4.081 1.00 0.00 C ATOM 0 H LEU A 48 3.475 17.492 5.941 1.00 0.00 H new ATOM 0 HA LEU A 48 2.166 19.000 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.616 16.634 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.602 17.716 5.987 1.00 0.00 H new ATOM 0 HG LEU A 48 0.592 17.727 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.441 16.302 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.017 15.462 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.219 16.176 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.633 18.776 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.421 18.667 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.353 19.716 4.073 1.00 0.00 H new ATOM 742 N GLU A 49 2.682 20.786 5.975 1.00 0.00 N ATOM 743 CA GLU A 49 2.392 22.039 6.728 1.00 0.00 C ATOM 744 C GLU A 49 3.166 23.152 6.041 1.00 0.00 C ATOM 745 O GLU A 49 3.479 24.173 6.620 1.00 0.00 O ATOM 746 CB GLU A 49 2.855 21.902 8.180 1.00 0.00 C ATOM 747 CG GLU A 49 4.283 21.354 8.215 1.00 0.00 C ATOM 748 CD GLU A 49 4.827 21.440 9.642 1.00 0.00 C ATOM 749 OE1 GLU A 49 4.572 22.441 10.291 1.00 0.00 O ATOM 750 OE2 GLU A 49 5.488 20.505 10.061 1.00 0.00 O ATOM 0 H GLU A 49 3.668 20.639 5.758 1.00 0.00 H new ATOM 0 HA GLU A 49 1.323 22.249 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.814 22.871 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.186 21.236 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.296 20.320 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.919 21.923 7.537 1.00 0.00 H new ATOM 757 N ASP A 50 3.486 22.934 4.796 1.00 0.00 N ATOM 758 CA ASP A 50 4.262 23.944 4.021 1.00 0.00 C ATOM 759 C ASP A 50 3.904 23.812 2.539 1.00 0.00 C ATOM 760 O ASP A 50 3.683 24.788 1.851 1.00 0.00 O ATOM 761 CB ASP A 50 5.769 23.679 4.233 1.00 0.00 C ATOM 762 CG ASP A 50 6.322 24.584 5.342 1.00 0.00 C ATOM 763 OD1 ASP A 50 5.807 24.518 6.446 1.00 0.00 O ATOM 764 OD2 ASP A 50 7.252 25.323 5.066 1.00 0.00 O ATOM 0 H ASP A 50 3.241 22.091 4.277 1.00 0.00 H new ATOM 0 HA ASP A 50 4.023 24.953 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.927 22.633 4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.310 23.859 3.304 1.00 0.00 H new ATOM 769 N LYS A 51 3.852 22.610 2.050 1.00 0.00 N ATOM 770 CA LYS A 51 3.515 22.402 0.619 1.00 0.00 C ATOM 771 C LYS A 51 2.057 22.820 0.368 1.00 0.00 C ATOM 772 O LYS A 51 1.521 23.660 1.063 1.00 0.00 O ATOM 773 CB LYS A 51 3.742 20.928 0.274 1.00 0.00 C ATOM 774 CG LYS A 51 2.626 20.071 0.873 1.00 0.00 C ATOM 775 CD LYS A 51 3.015 18.594 0.827 1.00 0.00 C ATOM 776 CE LYS A 51 3.438 18.202 -0.590 1.00 0.00 C ATOM 777 NZ LYS A 51 2.460 18.753 -1.571 1.00 0.00 N ATOM 0 H LYS A 51 4.029 21.758 2.582 1.00 0.00 H new ATOM 0 HA LYS A 51 4.152 23.014 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.769 20.800 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.708 20.601 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.438 20.373 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.700 20.228 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.831 18.404 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.174 17.979 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.436 18.584 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.487 17.117 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.349 18.087 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.541 18.892 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.806 19.665 -1.932 1.00 0.00 H new ATOM 791 N SER A 52 1.407 22.248 -0.612 1.00 0.00 N ATOM 792 CA SER A 52 -0.005 22.620 -0.884 1.00 0.00 C ATOM 793 C SER A 52 -0.917 21.941 0.157 1.00 0.00 C ATOM 794 O SER A 52 -0.955 20.728 0.234 1.00 0.00 O ATOM 795 CB SER A 52 -0.392 22.143 -2.286 1.00 0.00 C ATOM 796 OG SER A 52 -1.581 22.806 -2.698 1.00 0.00 O ATOM 0 H SER A 52 1.797 21.539 -1.234 1.00 0.00 H new ATOM 0 HA SER A 52 -0.120 23.702 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.415 22.350 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.545 21.064 -2.286 1.00 0.00 H new ATOM 0 HG SER A 52 -1.830 22.503 -3.596 1.00 0.00 H new ATOM 802 N PRO A 53 -1.647 22.690 0.961 1.00 0.00 N ATOM 803 CA PRO A 53 -2.548 22.105 1.998 1.00 0.00 C ATOM 804 C PRO A 53 -3.905 21.708 1.412 1.00 0.00 C ATOM 805 O PRO A 53 -4.672 20.992 2.023 1.00 0.00 O ATOM 806 CB PRO A 53 -2.716 23.259 2.980 1.00 0.00 C ATOM 807 CG PRO A 53 -2.729 24.461 2.099 1.00 0.00 C ATOM 808 CD PRO A 53 -1.711 24.169 0.989 1.00 0.00 C ATOM 0 HA PRO A 53 -2.145 21.194 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.640 23.169 3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.898 23.297 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.722 24.633 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.456 25.358 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.034 24.575 0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.739 24.609 1.210 1.00 0.00 H new ATOM 816 N ASP A 54 -4.205 22.193 0.240 1.00 0.00 N ATOM 817 CA ASP A 54 -5.511 21.877 -0.397 1.00 0.00 C ATOM 818 C ASP A 54 -6.644 22.385 0.505 1.00 0.00 C ATOM 819 O ASP A 54 -6.610 23.512 0.959 1.00 0.00 O ATOM 820 CB ASP A 54 -5.625 20.366 -0.633 1.00 0.00 C ATOM 821 CG ASP A 54 -6.817 20.085 -1.548 1.00 0.00 C ATOM 822 OD1 ASP A 54 -7.393 21.037 -2.048 1.00 0.00 O ATOM 823 OD2 ASP A 54 -7.136 18.921 -1.732 1.00 0.00 O ATOM 0 H ASP A 54 -3.595 22.800 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.585 22.373 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.708 19.987 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.751 19.847 0.317 1.00 0.00 H new ATOM 828 N SER A 55 -7.657 21.595 0.769 1.00 0.00 N ATOM 829 CA SER A 55 -8.759 22.113 1.636 1.00 0.00 C ATOM 830 C SER A 55 -9.708 21.014 2.166 1.00 0.00 C ATOM 831 O SER A 55 -10.308 21.208 3.203 1.00 0.00 O ATOM 832 CB SER A 55 -9.573 23.133 0.840 1.00 0.00 C ATOM 833 OG SER A 55 -10.452 23.822 1.720 1.00 0.00 O ATOM 0 H SER A 55 -7.767 20.639 0.432 1.00 0.00 H new ATOM 0 HA SER A 55 -8.287 22.563 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.907 23.840 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.143 22.631 0.058 1.00 0.00 H new ATOM 0 HG SER A 55 -10.974 24.478 1.213 1.00 0.00 H new ATOM 839 N PRO A 56 -9.880 19.890 1.493 1.00 0.00 N ATOM 840 CA PRO A 56 -10.801 18.802 1.972 1.00 0.00 C ATOM 841 C PRO A 56 -10.466 18.299 3.381 1.00 0.00 C ATOM 842 O PRO A 56 -10.393 17.108 3.607 1.00 0.00 O ATOM 843 CB PRO A 56 -10.598 17.677 0.944 1.00 0.00 C ATOM 844 CG PRO A 56 -10.154 18.388 -0.286 1.00 0.00 C ATOM 845 CD PRO A 56 -9.253 19.511 0.216 1.00 0.00 C ATOM 0 HA PRO A 56 -11.828 19.161 2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.851 16.958 1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.520 17.122 0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.615 17.719 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.004 18.782 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.226 19.173 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.222 20.347 -0.483 1.00 0.00 H new ATOM 853 N GLU A 57 -10.251 19.179 4.326 1.00 0.00 N ATOM 854 CA GLU A 57 -9.901 18.720 5.702 1.00 0.00 C ATOM 855 C GLU A 57 -8.785 17.687 5.557 1.00 0.00 C ATOM 856 O GLU A 57 -8.643 16.779 6.351 1.00 0.00 O ATOM 857 CB GLU A 57 -11.144 18.095 6.371 1.00 0.00 C ATOM 858 CG GLU A 57 -11.100 18.304 7.892 1.00 0.00 C ATOM 859 CD GLU A 57 -9.929 17.524 8.492 1.00 0.00 C ATOM 860 OE1 GLU A 57 -10.095 16.342 8.741 1.00 0.00 O ATOM 861 OE2 GLU A 57 -8.886 18.123 8.695 1.00 0.00 O ATOM 0 H GLU A 57 -10.303 20.190 4.204 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.570 19.549 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.049 18.545 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.188 17.029 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.996 19.365 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.037 17.973 8.340 1.00 0.00 H new ATOM 868 N MET A 58 -8.021 17.818 4.503 1.00 0.00 N ATOM 869 CA MET A 58 -6.929 16.861 4.224 1.00 0.00 C ATOM 870 C MET A 58 -7.536 15.483 3.968 1.00 0.00 C ATOM 871 O MET A 58 -6.852 14.549 3.600 1.00 0.00 O ATOM 872 CB MET A 58 -5.959 16.812 5.400 1.00 0.00 C ATOM 873 CG MET A 58 -5.611 18.238 5.879 1.00 0.00 C ATOM 874 SD MET A 58 -6.652 18.693 7.290 1.00 0.00 S ATOM 875 CE MET A 58 -5.582 18.033 8.591 1.00 0.00 C ATOM 0 H MET A 58 -8.117 18.565 3.816 1.00 0.00 H new ATOM 0 HA MET A 58 -6.373 17.180 3.343 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.401 16.245 6.219 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.049 16.289 5.106 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.560 18.288 6.162 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.757 18.949 5.066 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.179 17.449 9.291 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.818 17.396 8.145 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.104 18.856 9.121 1.00 0.00 H new ATOM 885 N LYS A 59 -8.830 15.368 4.129 1.00 0.00 N ATOM 886 CA LYS A 59 -9.522 14.072 3.883 1.00 0.00 C ATOM 887 C LYS A 59 -9.062 13.522 2.546 1.00 0.00 C ATOM 888 O LYS A 59 -8.759 12.354 2.401 1.00 0.00 O ATOM 889 CB LYS A 59 -11.032 14.337 3.804 1.00 0.00 C ATOM 890 CG LYS A 59 -11.828 13.005 3.755 1.00 0.00 C ATOM 891 CD LYS A 59 -12.224 12.662 2.310 1.00 0.00 C ATOM 892 CE LYS A 59 -12.642 11.191 2.227 1.00 0.00 C ATOM 893 NZ LYS A 59 -13.525 10.860 3.381 1.00 0.00 N ATOM 0 H LYS A 59 -9.442 16.129 4.424 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.297 13.365 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.348 14.922 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.255 14.931 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.225 12.199 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.722 13.087 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.044 13.302 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.387 12.851 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.165 11.003 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.760 10.550 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.110 10.033 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.941 10.644 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.141 11.671 3.591 1.00 0.00 H new ATOM 907 N ASP A 60 -9.011 14.369 1.570 1.00 0.00 N ATOM 908 CA ASP A 60 -8.575 13.935 0.230 1.00 0.00 C ATOM 909 C ASP A 60 -7.183 13.307 0.356 1.00 0.00 C ATOM 910 O ASP A 60 -6.804 12.451 -0.417 1.00 0.00 O ATOM 911 CB ASP A 60 -8.568 15.167 -0.680 1.00 0.00 C ATOM 912 CG ASP A 60 -7.722 14.906 -1.931 1.00 0.00 C ATOM 913 OD1 ASP A 60 -8.254 14.345 -2.875 1.00 0.00 O ATOM 914 OD2 ASP A 60 -6.559 15.272 -1.924 1.00 0.00 O ATOM 0 H ASP A 60 -9.256 15.356 1.646 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.243 13.189 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.588 15.418 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.170 16.025 -0.138 1.00 0.00 H new ATOM 919 N PHE A 61 -6.439 13.699 1.356 1.00 0.00 N ATOM 920 CA PHE A 61 -5.096 13.098 1.574 1.00 0.00 C ATOM 921 C PHE A 61 -5.305 11.710 2.185 1.00 0.00 C ATOM 922 O PHE A 61 -4.833 10.705 1.685 1.00 0.00 O ATOM 923 CB PHE A 61 -4.303 13.990 2.539 1.00 0.00 C ATOM 924 CG PHE A 61 -2.821 13.713 2.405 1.00 0.00 C ATOM 925 CD1 PHE A 61 -2.155 14.037 1.216 1.00 0.00 C ATOM 926 CD2 PHE A 61 -2.111 13.141 3.470 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.782 13.789 1.091 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.738 12.894 3.345 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.075 13.218 2.157 1.00 0.00 C ATOM 0 H PHE A 61 -6.707 14.413 2.033 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.542 13.015 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.505 15.040 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.624 13.805 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.701 14.478 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.623 12.891 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.269 14.038 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.191 12.453 4.166 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.984 13.028 2.061 1.00 0.00 H new ATOM 939 N ARG A 62 -6.037 11.665 3.266 1.00 0.00 N ATOM 940 CA ARG A 62 -6.331 10.374 3.946 1.00 0.00 C ATOM 941 C ARG A 62 -7.061 9.449 2.969 1.00 0.00 C ATOM 942 O ARG A 62 -6.930 8.241 3.023 1.00 0.00 O ATOM 943 CB ARG A 62 -7.218 10.662 5.165 1.00 0.00 C ATOM 944 CG ARG A 62 -6.432 11.504 6.211 1.00 0.00 C ATOM 945 CD ARG A 62 -7.148 12.834 6.463 1.00 0.00 C ATOM 946 NE ARG A 62 -6.469 13.563 7.571 1.00 0.00 N ATOM 947 CZ ARG A 62 -5.280 14.072 7.389 1.00 0.00 C ATOM 948 NH1 ARG A 62 -4.691 13.960 6.230 1.00 0.00 N ATOM 949 NH2 ARG A 62 -4.682 14.695 8.367 1.00 0.00 N ATOM 0 H ARG A 62 -6.450 12.484 3.713 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.410 9.890 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.114 11.199 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.548 9.725 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.343 10.948 7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.419 11.690 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.141 13.440 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.192 12.654 6.718 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.934 13.665 8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.159 13.475 5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.762 14.358 6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.143 14.784 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.753 15.093 8.226 1.00 0.00 H new ATOM 963 N HIS A 63 -7.816 10.012 2.066 1.00 0.00 N ATOM 964 CA HIS A 63 -8.545 9.178 1.068 1.00 0.00 C ATOM 965 C HIS A 63 -7.524 8.418 0.232 1.00 0.00 C ATOM 966 O HIS A 63 -7.697 7.261 -0.058 1.00 0.00 O ATOM 967 CB HIS A 63 -9.389 10.101 0.166 1.00 0.00 C ATOM 968 CG HIS A 63 -10.553 9.337 -0.402 1.00 0.00 C ATOM 969 ND1 HIS A 63 -11.165 8.313 0.298 1.00 0.00 N ATOM 970 CD2 HIS A 63 -11.226 9.431 -1.595 1.00 0.00 C ATOM 971 CE1 HIS A 63 -12.153 7.832 -0.466 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.239 8.477 -1.634 1.00 0.00 N ATOM 0 H HIS A 63 -7.960 11.018 1.976 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.204 8.469 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.749 10.955 0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.773 10.496 -0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.004 10.136 -2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.803 7.020 -0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.903 8.307 -2.390 1.00 0.00 H new ATOM 980 N GLY A 64 -6.452 9.043 -0.144 1.00 0.00 N ATOM 981 CA GLY A 64 -5.445 8.317 -0.957 1.00 0.00 C ATOM 982 C GLY A 64 -4.898 7.146 -0.145 1.00 0.00 C ATOM 983 O GLY A 64 -4.599 6.098 -0.679 1.00 0.00 O ATOM 0 H GLY A 64 -6.229 10.014 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.897 7.956 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.635 8.989 -1.240 1.00 0.00 H new ATOM 987 N PHE A 65 -4.791 7.297 1.148 1.00 0.00 N ATOM 988 CA PHE A 65 -4.292 6.166 1.981 1.00 0.00 C ATOM 989 C PHE A 65 -5.459 5.214 2.245 1.00 0.00 C ATOM 990 O PHE A 65 -5.306 4.009 2.243 1.00 0.00 O ATOM 991 CB PHE A 65 -3.739 6.694 3.307 1.00 0.00 C ATOM 992 CG PHE A 65 -2.389 7.324 3.061 1.00 0.00 C ATOM 993 CD1 PHE A 65 -1.262 6.516 2.864 1.00 0.00 C ATOM 994 CD2 PHE A 65 -2.266 8.714 3.020 1.00 0.00 C ATOM 995 CE1 PHE A 65 -0.013 7.103 2.625 1.00 0.00 C ATOM 996 CE2 PHE A 65 -1.020 9.299 2.779 1.00 0.00 C ATOM 997 CZ PHE A 65 0.106 8.498 2.582 1.00 0.00 C ATOM 0 H PHE A 65 -5.026 8.148 1.660 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.491 5.643 1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.424 7.426 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.649 5.881 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.356 5.441 2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.134 9.337 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.857 6.481 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.928 10.375 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.068 8.953 2.397 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.633 5.751 2.453 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.820 4.884 2.692 1.00 0.00 C ATOM 1009 C ASP A 66 -8.202 4.209 1.373 1.00 0.00 C ATOM 1010 O ASP A 66 -8.420 3.015 1.311 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.988 5.739 3.194 1.00 0.00 C ATOM 1012 CG ASP A 66 -10.056 4.837 3.817 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -10.376 3.826 3.213 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.535 5.174 4.887 1.00 0.00 O ATOM 0 H ASP A 66 -6.819 6.754 2.467 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.588 4.129 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.633 6.461 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.415 6.309 2.369 1.00 0.00 H new ATOM 1019 N ILE A 67 -8.273 4.969 0.312 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.627 4.372 -1.005 1.00 0.00 C ATOM 1021 C ILE A 67 -7.654 3.217 -1.291 1.00 0.00 C ATOM 1022 O ILE A 67 -8.047 2.141 -1.705 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.511 5.451 -2.105 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.705 6.433 -2.018 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.479 4.796 -3.492 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -11.052 5.713 -2.224 1.00 0.00 C ATOM 0 H ILE A 67 -8.101 5.974 0.302 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.650 3.996 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.583 6.003 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.701 6.926 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.590 7.213 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.397 5.568 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.621 4.127 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.396 4.227 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.865 6.436 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.066 5.242 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.179 4.951 -1.455 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.388 3.438 -1.062 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.376 2.368 -1.302 1.00 0.00 C ATOM 1040 C LEU A 68 -5.740 1.141 -0.458 1.00 0.00 C ATOM 1041 O LEU A 68 -5.708 0.019 -0.923 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.993 2.914 -0.901 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.963 1.784 -0.723 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.883 0.923 -1.994 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.594 2.410 -0.444 1.00 0.00 C ATOM 0 H LEU A 68 -6.008 4.319 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.357 2.075 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.642 3.610 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.080 3.477 0.028 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.266 1.147 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.150 0.129 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.859 0.483 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.583 1.546 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.853 1.621 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.307 3.045 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.647 3.010 0.464 1.00 0.00 H new ATOM 1057 N VAL A 69 -6.092 1.346 0.777 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.454 0.205 1.649 1.00 0.00 C ATOM 1059 C VAL A 69 -7.658 -0.524 1.052 1.00 0.00 C ATOM 1060 O VAL A 69 -7.976 -1.627 1.440 1.00 0.00 O ATOM 1061 CB VAL A 69 -6.812 0.750 3.035 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -7.487 -0.335 3.869 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -5.539 1.228 3.744 1.00 0.00 C ATOM 0 H VAL A 69 -6.144 2.263 1.221 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.620 -0.492 1.729 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.501 1.587 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.737 0.064 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.398 -0.664 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.809 -1.181 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.795 1.616 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.847 0.393 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.069 2.016 3.156 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.339 0.088 0.126 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.533 -0.572 -0.473 1.00 0.00 C ATOM 1075 C GLY A 70 -9.112 -1.598 -1.524 1.00 0.00 C ATOM 1076 O GLY A 70 -9.588 -2.717 -1.525 1.00 0.00 O ATOM 0 H GLY A 70 -8.122 1.014 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.114 -1.062 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.179 0.178 -0.928 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.229 -1.248 -2.421 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.814 -2.246 -3.446 1.00 0.00 C ATOM 1082 C GLN A 71 -6.998 -3.320 -2.737 1.00 0.00 C ATOM 1083 O GLN A 71 -7.028 -4.481 -3.094 1.00 0.00 O ATOM 1084 CB GLN A 71 -7.045 -1.540 -4.590 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.521 -1.541 -4.364 1.00 0.00 C ATOM 1086 CD GLN A 71 -4.909 -2.825 -4.926 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.764 -2.836 -5.325 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.632 -3.909 -4.984 1.00 0.00 N ATOM 0 H GLN A 71 -7.785 -0.332 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.672 -2.725 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.269 -2.036 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.395 -0.512 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.073 -0.673 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.303 -1.460 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.595 -3.898 -4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.234 -4.767 -5.365 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.324 -2.950 -1.687 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.571 -3.959 -0.903 1.00 0.00 C ATOM 1099 C ILE A 72 -6.602 -4.785 -0.122 1.00 0.00 C ATOM 1100 O ILE A 72 -6.431 -5.968 0.095 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.588 -3.247 0.060 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.253 -3.018 -0.652 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -4.332 -4.101 1.310 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.398 -2.043 0.160 1.00 0.00 C ATOM 0 H ILE A 72 -6.263 -1.993 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.983 -4.608 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.032 -2.297 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.727 -3.965 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.426 -2.620 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.639 -3.580 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.273 -4.272 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.902 -5.058 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.448 -1.881 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.923 -1.093 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.213 -2.459 1.150 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.673 -4.159 0.304 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.712 -4.906 1.077 1.00 0.00 C ATOM 1118 C ASP A 73 -9.326 -5.998 0.195 1.00 0.00 C ATOM 1119 O ASP A 73 -9.332 -7.166 0.538 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.807 -3.941 1.548 1.00 0.00 C ATOM 1121 CG ASP A 73 -10.952 -4.734 2.184 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -10.682 -5.792 2.729 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -12.078 -4.269 2.118 1.00 0.00 O ATOM 0 H ASP A 73 -7.871 -3.170 0.151 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.247 -5.367 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.397 -3.234 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.179 -3.358 0.705 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.852 -5.623 -0.940 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.478 -6.630 -1.842 1.00 0.00 C ATOM 1130 C ASP A 74 -9.420 -7.637 -2.288 1.00 0.00 C ATOM 1131 O ASP A 74 -9.719 -8.781 -2.550 1.00 0.00 O ATOM 1132 CB ASP A 74 -11.060 -5.924 -3.068 1.00 0.00 C ATOM 1133 CG ASP A 74 -11.952 -6.895 -3.844 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -11.417 -7.674 -4.615 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -13.156 -6.843 -3.652 1.00 0.00 O ATOM 0 H ASP A 74 -9.875 -4.662 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.275 -7.150 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.637 -5.052 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.255 -5.563 -3.708 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.182 -7.239 -2.369 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.139 -8.208 -2.784 1.00 0.00 C ATOM 1142 C ALA A 75 -6.893 -9.168 -1.627 1.00 0.00 C ATOM 1143 O ALA A 75 -6.566 -10.321 -1.825 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.846 -7.473 -3.141 1.00 0.00 C ATOM 0 H ALA A 75 -7.852 -6.295 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.471 -8.758 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.088 -8.196 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.036 -6.781 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.491 -6.918 -2.273 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.083 -8.715 -0.416 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.899 -9.613 0.740 1.00 0.00 C ATOM 1152 C LEU A 76 -7.836 -10.802 0.511 1.00 0.00 C ATOM 1153 O LEU A 76 -7.547 -11.931 0.854 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.291 -8.836 2.026 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.290 -9.110 3.191 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.299 -7.939 3.342 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -7.058 -9.289 4.512 1.00 0.00 C ATOM 0 H LEU A 76 -7.358 -7.760 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.871 -9.959 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.317 -7.768 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.296 -9.124 2.334 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.737 -10.020 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.609 -8.149 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.737 -7.816 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.849 -7.023 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.352 -9.480 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.623 -8.383 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.744 -10.131 4.423 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.958 -10.523 -0.093 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.952 -11.567 -0.398 1.00 0.00 C ATOM 1171 C LYS A 77 -9.413 -12.516 -1.468 1.00 0.00 C ATOM 1172 O LYS A 77 -9.513 -13.721 -1.353 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.207 -10.881 -0.936 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.378 -11.865 -0.899 1.00 0.00 C ATOM 1175 CD LYS A 77 -13.019 -11.877 0.510 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.502 -13.291 0.862 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.422 -13.226 2.034 1.00 0.00 N ATOM 0 H LYS A 77 -9.226 -9.585 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.172 -12.139 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.439 -10.000 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.038 -10.537 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.123 -11.584 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.031 -12.865 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.294 -11.538 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.857 -11.180 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.014 -13.735 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.650 -13.931 1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.749 -14.184 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.919 -12.820 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.241 -12.629 1.800 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.859 -11.978 -2.519 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.335 -12.849 -3.603 1.00 0.00 C ATOM 1193 C LEU A 78 -7.305 -13.795 -2.992 1.00 0.00 C ATOM 1194 O LEU A 78 -7.199 -14.948 -3.364 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.701 -11.962 -4.698 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.730 -11.696 -5.809 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.951 -10.978 -5.220 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.094 -10.819 -6.895 1.00 0.00 C ATOM 0 H LEU A 78 -8.748 -10.976 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.131 -13.436 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.365 -11.019 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.821 -12.453 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.045 -12.644 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.679 -10.791 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.404 -11.602 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.639 -10.030 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.823 -10.630 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.778 -9.872 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.229 -11.331 -7.316 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.572 -13.323 -2.032 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.577 -14.192 -1.360 1.00 0.00 C ATOM 1212 C ALA A 79 -6.317 -15.330 -0.652 1.00 0.00 C ATOM 1213 O ALA A 79 -5.978 -16.489 -0.786 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.810 -13.362 -0.326 1.00 0.00 C ATOM 0 H ALA A 79 -6.619 -12.366 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.879 -14.603 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.075 -13.993 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.301 -12.538 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.508 -12.964 0.411 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.318 -14.996 0.120 1.00 0.00 N ATOM 1221 CA ASN A 80 -8.079 -16.036 0.865 1.00 0.00 C ATOM 1222 C ASN A 80 -9.016 -16.827 -0.064 1.00 0.00 C ATOM 1223 O ASN A 80 -9.544 -17.851 0.321 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.892 -15.366 1.989 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.969 -16.319 3.179 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -10.038 -16.722 3.592 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -7.857 -16.697 3.746 1.00 0.00 N ATOM 0 H ASN A 80 -7.641 -14.040 0.266 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.366 -16.742 1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.422 -14.429 2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.894 -15.122 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.881 -17.335 4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.963 -16.355 3.394 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.247 -16.370 -1.270 1.00 0.00 N ATOM 1235 CA GLU A 81 -10.174 -17.118 -2.183 1.00 0.00 C ATOM 1236 C GLU A 81 -9.379 -18.077 -3.074 1.00 0.00 C ATOM 1237 O GLU A 81 -9.945 -18.910 -3.755 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.948 -16.123 -3.056 1.00 0.00 C ATOM 1239 CG GLU A 81 -12.086 -15.492 -2.243 1.00 0.00 C ATOM 1240 CD GLU A 81 -13.252 -16.478 -2.131 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -13.179 -17.362 -1.293 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -14.202 -16.330 -2.882 1.00 0.00 O ATOM 0 H GLU A 81 -8.840 -15.521 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.875 -17.696 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.276 -15.346 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.353 -16.631 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.729 -15.222 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.421 -14.572 -2.722 1.00 0.00 H new ATOM 1249 N GLY A 82 -8.076 -17.987 -3.065 1.00 0.00 N ATOM 1250 CA GLY A 82 -7.249 -18.919 -3.898 1.00 0.00 C ATOM 1251 C GLY A 82 -6.855 -18.254 -5.220 1.00 0.00 C ATOM 1252 O GLY A 82 -6.367 -18.907 -6.122 1.00 0.00 O ATOM 0 H GLY A 82 -7.545 -17.309 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.353 -19.208 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.810 -19.832 -4.097 1.00 0.00 H new ATOM 1256 N LYS A 83 -7.040 -16.965 -5.344 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.653 -16.269 -6.614 1.00 0.00 C ATOM 1258 C LYS A 83 -5.243 -15.693 -6.432 1.00 0.00 C ATOM 1259 O LYS A 83 -5.058 -14.533 -6.124 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.649 -15.146 -6.943 1.00 0.00 C ATOM 1261 CG LYS A 83 -9.068 -15.561 -6.562 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.413 -16.909 -7.211 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.933 -17.103 -7.222 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.551 -16.126 -8.162 1.00 0.00 N ATOM 0 H LYS A 83 -7.441 -16.363 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.667 -16.977 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.373 -14.238 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.605 -14.913 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.155 -15.637 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.778 -14.800 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.025 -16.943 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.937 -17.721 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.178 -18.121 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.336 -16.963 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.438 -16.519 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.752 -15.239 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.896 -15.937 -8.947 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.259 -16.525 -6.599 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.837 -16.096 -6.423 1.00 0.00 C ATOM 1280 C VAL A 84 -2.371 -15.291 -7.631 1.00 0.00 C ATOM 1281 O VAL A 84 -2.027 -14.133 -7.509 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.949 -17.337 -6.250 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.501 -16.901 -6.015 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.443 -18.150 -5.050 1.00 0.00 C ATOM 0 H VAL A 84 -4.377 -17.505 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.763 -15.466 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.999 -17.950 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.129 -17.782 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.152 -16.322 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.447 -16.288 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.815 -19.032 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.393 -17.537 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.474 -18.460 -5.220 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.358 -15.877 -8.796 1.00 0.00 N ATOM 1295 CA LYS A 85 -1.911 -15.111 -9.994 1.00 0.00 C ATOM 1296 C LYS A 85 -2.663 -13.777 -10.024 1.00 0.00 C ATOM 1297 O LYS A 85 -2.122 -12.754 -10.398 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.210 -15.933 -11.266 1.00 0.00 C ATOM 1299 CG LYS A 85 -0.973 -16.769 -11.661 1.00 0.00 C ATOM 1300 CD LYS A 85 -1.397 -17.996 -12.492 1.00 0.00 C ATOM 1301 CE LYS A 85 -1.751 -19.162 -11.562 1.00 0.00 C ATOM 1302 NZ LYS A 85 -0.565 -19.511 -10.729 1.00 0.00 N ATOM 0 H LYS A 85 -2.634 -16.843 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.839 -14.920 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.062 -16.590 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.484 -15.266 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.279 -16.155 -12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.444 -17.094 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.255 -17.744 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.589 -18.288 -13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.590 -18.889 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.064 -20.026 -12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.615 -20.514 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.304 -19.343 -11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.556 -18.920 -9.873 1.00 0.00 H new ATOM 1316 N GLU A 86 -3.893 -13.776 -9.597 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.665 -12.510 -9.562 1.00 0.00 C ATOM 1318 C GLU A 86 -4.049 -11.618 -8.495 1.00 0.00 C ATOM 1319 O GLU A 86 -3.823 -10.443 -8.702 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.128 -12.778 -9.206 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.743 -13.757 -10.218 1.00 0.00 C ATOM 1322 CD GLU A 86 -6.107 -15.143 -10.075 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -5.564 -15.421 -9.019 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -6.174 -15.905 -11.027 1.00 0.00 O ATOM 0 H GLU A 86 -4.396 -14.601 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.631 -12.034 -10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.196 -13.191 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.688 -11.843 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.819 -13.826 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.593 -13.384 -11.231 1.00 0.00 H new ATOM 1331 N ALA A 87 -3.772 -12.175 -7.344 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.165 -11.356 -6.263 1.00 0.00 C ATOM 1333 C ALA A 87 -1.754 -10.948 -6.685 1.00 0.00 C ATOM 1334 O ALA A 87 -1.358 -9.804 -6.575 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.102 -12.171 -4.970 1.00 0.00 C ATOM 0 H ALA A 87 -3.940 -13.154 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.770 -10.466 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.656 -11.566 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.109 -12.466 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.495 -13.062 -5.131 1.00 0.00 H new ATOM 1341 N GLN A 88 -1.004 -11.887 -7.179 1.00 0.00 N ATOM 1342 CA GLN A 88 0.380 -11.611 -7.635 1.00 0.00 C ATOM 1343 C GLN A 88 0.323 -10.552 -8.749 1.00 0.00 C ATOM 1344 O GLN A 88 0.992 -9.536 -8.689 1.00 0.00 O ATOM 1345 CB GLN A 88 0.980 -12.972 -8.096 1.00 0.00 C ATOM 1346 CG GLN A 88 1.524 -12.931 -9.528 1.00 0.00 C ATOM 1347 CD GLN A 88 2.383 -14.175 -9.786 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.437 -14.084 -10.382 1.00 0.00 O ATOM 1349 NE2 GLN A 88 1.974 -15.345 -9.362 1.00 0.00 N ATOM 0 H GLN A 88 -1.300 -12.857 -7.288 1.00 0.00 H new ATOM 0 HA GLN A 88 1.021 -11.204 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.783 -13.258 -7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.213 -13.743 -8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.700 -12.891 -10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.118 -12.029 -9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.089 -15.425 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.540 -16.176 -9.533 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.480 -10.765 -9.750 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.580 -9.754 -10.838 1.00 0.00 C ATOM 1360 C ALA A 89 -1.035 -8.428 -10.223 1.00 0.00 C ATOM 1361 O ALA A 89 -0.627 -7.362 -10.643 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.600 -10.212 -11.882 1.00 0.00 C ATOM 0 H ALA A 89 -1.069 -11.590 -9.863 1.00 0.00 H new ATOM 0 HA ALA A 89 0.388 -9.633 -11.324 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.668 -9.467 -12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.284 -11.165 -12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.576 -10.330 -11.410 1.00 0.00 H new ATOM 1368 N ALA A 90 -1.858 -8.485 -9.208 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.306 -7.227 -8.553 1.00 0.00 C ATOM 1370 C ALA A 90 -1.088 -6.590 -7.887 1.00 0.00 C ATOM 1371 O ALA A 90 -1.002 -5.392 -7.728 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.371 -7.542 -7.500 1.00 0.00 C ATOM 0 H ALA A 90 -2.236 -9.344 -8.809 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.738 -6.546 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.696 -6.617 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.224 -8.023 -7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.952 -8.211 -6.748 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.127 -7.390 -7.521 1.00 0.00 N ATOM 1379 CA ALA A 91 1.102 -6.832 -6.894 1.00 0.00 C ATOM 1380 C ALA A 91 1.694 -5.809 -7.862 1.00 0.00 C ATOM 1381 O ALA A 91 2.023 -4.701 -7.487 1.00 0.00 O ATOM 1382 CB ALA A 91 2.115 -7.954 -6.644 1.00 0.00 C ATOM 0 H ALA A 91 -0.139 -8.404 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 91 0.863 -6.363 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.012 -7.539 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.677 -8.697 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.377 -8.425 -7.591 1.00 0.00 H new ATOM 1388 N GLU A 92 1.808 -6.168 -9.113 1.00 0.00 N ATOM 1389 CA GLU A 92 2.353 -5.211 -10.112 1.00 0.00 C ATOM 1390 C GLU A 92 1.383 -4.030 -10.228 1.00 0.00 C ATOM 1391 O GLU A 92 1.766 -2.940 -10.605 1.00 0.00 O ATOM 1392 CB GLU A 92 2.513 -5.919 -11.470 1.00 0.00 C ATOM 1393 CG GLU A 92 3.913 -6.552 -11.567 1.00 0.00 C ATOM 1394 CD GLU A 92 3.906 -7.685 -12.599 1.00 0.00 C ATOM 1395 OE1 GLU A 92 2.899 -7.843 -13.269 1.00 0.00 O ATOM 1396 OE2 GLU A 92 4.908 -8.374 -12.700 1.00 0.00 O ATOM 0 H GLU A 92 1.547 -7.082 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 92 3.332 -4.847 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.748 -6.687 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.370 -5.206 -12.281 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.644 -5.795 -11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.215 -6.938 -10.593 1.00 0.00 H new ATOM 1403 N GLN A 93 0.136 -4.220 -9.872 1.00 0.00 N ATOM 1404 CA GLN A 93 -0.818 -3.084 -9.928 1.00 0.00 C ATOM 1405 C GLN A 93 -0.454 -2.169 -8.774 1.00 0.00 C ATOM 1406 O GLN A 93 -0.452 -0.959 -8.892 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.266 -3.590 -9.758 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.298 -2.499 -10.159 1.00 0.00 C ATOM 1409 CD GLN A 93 -3.872 -1.792 -8.914 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -5.052 -1.506 -8.862 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -3.090 -1.495 -7.909 1.00 0.00 N ATOM 0 H GLN A 93 -0.254 -5.105 -9.549 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.759 -2.567 -10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.417 -4.479 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.431 -3.886 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.822 -1.766 -10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.109 -2.953 -10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.099 -1.732 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.471 -1.026 -7.087 1.00 0.00 H new ATOM 1420 N LEU A 94 -0.118 -2.752 -7.654 1.00 0.00 N ATOM 1421 CA LEU A 94 0.277 -1.931 -6.488 1.00 0.00 C ATOM 1422 C LEU A 94 1.548 -1.179 -6.879 1.00 0.00 C ATOM 1423 O LEU A 94 1.639 0.025 -6.751 1.00 0.00 O ATOM 1424 CB LEU A 94 0.546 -2.829 -5.265 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.760 -3.067 -4.456 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -1.530 -4.258 -5.034 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.433 -3.365 -2.988 1.00 0.00 C ATOM 0 H LEU A 94 -0.102 -3.761 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.519 -1.237 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.955 -3.785 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.296 -2.364 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.367 -2.164 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.443 -4.415 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.786 -4.055 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.910 -5.153 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.358 -3.529 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.189 -4.258 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.103 -2.520 -2.556 1.00 0.00 H new ATOM 1439 N LYS A 95 2.521 -1.886 -7.386 1.00 0.00 N ATOM 1440 CA LYS A 95 3.781 -1.225 -7.815 1.00 0.00 C ATOM 1441 C LYS A 95 3.435 -0.037 -8.719 1.00 0.00 C ATOM 1442 O LYS A 95 3.994 1.035 -8.595 1.00 0.00 O ATOM 1443 CB LYS A 95 4.644 -2.240 -8.577 1.00 0.00 C ATOM 1444 CG LYS A 95 5.026 -3.414 -7.641 1.00 0.00 C ATOM 1445 CD LYS A 95 6.429 -3.939 -7.992 1.00 0.00 C ATOM 1446 CE LYS A 95 7.520 -3.045 -7.355 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.132 -3.767 -6.204 1.00 0.00 N ATOM 0 H LYS A 95 2.495 -2.897 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 95 4.336 -0.866 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.099 -2.616 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.545 -1.755 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.003 -3.083 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.295 -4.217 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.539 -4.964 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.555 -3.960 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.283 -2.799 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.086 -2.103 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.866 -3.171 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.399 -3.980 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.559 -4.655 -6.538 1.00 0.00 H new ATOM 1461 N THR A 96 2.499 -0.216 -9.613 1.00 0.00 N ATOM 1462 CA THR A 96 2.100 0.907 -10.510 1.00 0.00 C ATOM 1463 C THR A 96 1.342 1.955 -9.691 1.00 0.00 C ATOM 1464 O THR A 96 1.540 3.145 -9.850 1.00 0.00 O ATOM 1465 CB THR A 96 1.201 0.373 -11.630 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.741 -0.843 -12.127 1.00 0.00 O ATOM 1467 CG2 THR A 96 1.121 1.397 -12.762 1.00 0.00 C ATOM 0 H THR A 96 1.994 -1.090 -9.761 1.00 0.00 H new ATOM 0 HA THR A 96 2.987 1.361 -10.952 1.00 0.00 H new ATOM 0 HB THR A 96 0.200 0.195 -11.237 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.510 -1.576 -11.519 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.481 1.013 -13.556 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.706 2.330 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.120 1.580 -13.158 1.00 0.00 H new ATOM 1475 N THR A 97 0.485 1.527 -8.800 1.00 0.00 N ATOM 1476 CA THR A 97 -0.258 2.512 -7.972 1.00 0.00 C ATOM 1477 C THR A 97 0.775 3.307 -7.169 1.00 0.00 C ATOM 1478 O THR A 97 0.669 4.508 -7.017 1.00 0.00 O ATOM 1479 CB THR A 97 -1.239 1.773 -7.042 1.00 0.00 C ATOM 1480 OG1 THR A 97 -2.524 1.754 -7.644 1.00 0.00 O ATOM 1481 CG2 THR A 97 -1.339 2.454 -5.668 1.00 0.00 C ATOM 0 H THR A 97 0.272 0.547 -8.614 1.00 0.00 H new ATOM 0 HA THR A 97 -0.843 3.190 -8.593 1.00 0.00 H new ATOM 0 HB THR A 97 -0.867 0.759 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.153 1.283 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.040 1.905 -5.040 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.357 2.463 -5.194 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.691 3.478 -5.794 1.00 0.00 H new ATOM 1489 N ILE A 98 1.786 2.644 -6.666 1.00 0.00 N ATOM 1490 CA ILE A 98 2.824 3.372 -5.892 1.00 0.00 C ATOM 1491 C ILE A 98 3.358 4.499 -6.768 1.00 0.00 C ATOM 1492 O ILE A 98 3.740 5.549 -6.292 1.00 0.00 O ATOM 1493 CB ILE A 98 3.979 2.434 -5.528 1.00 0.00 C ATOM 1494 CG1 ILE A 98 3.495 1.418 -4.480 1.00 0.00 C ATOM 1495 CG2 ILE A 98 5.145 3.252 -4.946 1.00 0.00 C ATOM 1496 CD1 ILE A 98 4.588 0.380 -4.189 1.00 0.00 C ATOM 0 H ILE A 98 1.933 1.639 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 98 2.389 3.761 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 98 4.317 1.909 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.225 1.937 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.596 0.917 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.966 2.583 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.486 3.976 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.810 3.777 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.227 -0.330 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.838 -0.152 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.476 0.884 -3.808 1.00 0.00 H new ATOM 1508 N ARG A 99 3.405 4.274 -8.052 1.00 0.00 N ATOM 1509 CA ARG A 99 3.934 5.319 -8.961 1.00 0.00 C ATOM 1510 C ARG A 99 3.091 6.597 -8.822 1.00 0.00 C ATOM 1511 O ARG A 99 3.608 7.681 -8.623 1.00 0.00 O ATOM 1512 CB ARG A 99 3.890 4.809 -10.413 1.00 0.00 C ATOM 1513 CG ARG A 99 4.968 5.519 -11.258 1.00 0.00 C ATOM 1514 CD ARG A 99 6.309 4.782 -11.132 1.00 0.00 C ATOM 1515 NE ARG A 99 7.307 5.408 -12.047 1.00 0.00 N ATOM 1516 CZ ARG A 99 7.339 5.077 -13.310 1.00 0.00 C ATOM 1517 NH1 ARG A 99 6.502 4.192 -13.777 1.00 0.00 N ATOM 1518 NH2 ARG A 99 8.211 5.632 -14.108 1.00 0.00 N ATOM 0 H ARG A 99 3.100 3.413 -8.506 1.00 0.00 H new ATOM 0 HA ARG A 99 4.967 5.545 -8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.053 3.731 -10.433 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.904 4.991 -10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.659 5.551 -12.303 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.079 6.551 -10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.665 4.826 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.182 3.728 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 99 7.967 6.097 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.820 3.757 -13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.529 3.935 -14.764 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.867 6.324 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.236 5.374 -15.094 1.00 0.00 H new ATOM 1532 N ALA A 100 1.795 6.482 -8.918 1.00 0.00 N ATOM 1533 CA ALA A 100 0.939 7.696 -8.780 1.00 0.00 C ATOM 1534 C ALA A 100 1.107 8.254 -7.365 1.00 0.00 C ATOM 1535 O ALA A 100 1.103 9.445 -7.140 1.00 0.00 O ATOM 1536 CB ALA A 100 -0.525 7.322 -9.018 1.00 0.00 C ATOM 0 H ALA A 100 1.294 5.609 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 100 1.235 8.447 -9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.149 8.210 -8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.637 6.912 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.834 6.576 -8.285 1.00 0.00 H new ATOM 1542 N TYR A 101 1.279 7.404 -6.406 1.00 0.00 N ATOM 1543 CA TYR A 101 1.466 7.898 -5.019 1.00 0.00 C ATOM 1544 C TYR A 101 2.813 8.612 -4.955 1.00 0.00 C ATOM 1545 O TYR A 101 3.033 9.478 -4.135 1.00 0.00 O ATOM 1546 CB TYR A 101 1.444 6.695 -4.069 1.00 0.00 C ATOM 1547 CG TYR A 101 2.123 6.996 -2.751 1.00 0.00 C ATOM 1548 CD1 TYR A 101 3.521 7.026 -2.684 1.00 0.00 C ATOM 1549 CD2 TYR A 101 1.365 7.216 -1.598 1.00 0.00 C ATOM 1550 CE1 TYR A 101 4.157 7.279 -1.470 1.00 0.00 C ATOM 1551 CE2 TYR A 101 2.004 7.471 -0.381 1.00 0.00 C ATOM 1552 CZ TYR A 101 3.401 7.503 -0.316 1.00 0.00 C ATOM 1553 OH TYR A 101 4.032 7.753 0.885 1.00 0.00 O ATOM 0 H TYR A 101 1.299 6.390 -6.517 1.00 0.00 H new ATOM 0 HA TYR A 101 0.675 8.590 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.411 6.399 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.938 5.849 -4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.107 6.853 -3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.286 7.189 -1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.236 7.302 -1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.418 7.643 0.510 1.00 0.00 H new ATOM 0 HH TYR A 101 3.360 7.888 1.586 1.00 0.00 H new ATOM 1563 N ASN A 102 3.725 8.245 -5.812 1.00 0.00 N ATOM 1564 CA ASN A 102 5.057 8.904 -5.779 1.00 0.00 C ATOM 1565 C ASN A 102 4.922 10.384 -6.165 1.00 0.00 C ATOM 1566 O ASN A 102 5.618 11.219 -5.622 1.00 0.00 O ATOM 1567 CB ASN A 102 6.066 8.149 -6.682 1.00 0.00 C ATOM 1568 CG ASN A 102 6.941 9.109 -7.511 1.00 0.00 C ATOM 1569 OD1 ASN A 102 7.206 8.855 -8.670 1.00 0.00 O ATOM 1570 ND2 ASN A 102 7.400 10.206 -6.965 1.00 0.00 N ATOM 0 H ASN A 102 3.607 7.526 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 102 5.452 8.864 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.706 7.521 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.523 7.485 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.978 10.845 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.180 10.423 -5.993 1.00 0.00 H new ATOM 1577 N GLN A 103 4.038 10.750 -7.062 1.00 0.00 N ATOM 1578 CA GLN A 103 3.942 12.205 -7.364 1.00 0.00 C ATOM 1579 C GLN A 103 3.436 12.834 -6.079 1.00 0.00 C ATOM 1580 O GLN A 103 3.649 13.996 -5.798 1.00 0.00 O ATOM 1581 CB GLN A 103 3.002 12.489 -8.557 1.00 0.00 C ATOM 1582 CG GLN A 103 1.529 12.417 -8.138 1.00 0.00 C ATOM 1583 CD GLN A 103 1.107 13.710 -7.443 1.00 0.00 C ATOM 1584 OE1 GLN A 103 0.948 14.738 -8.070 1.00 0.00 O ATOM 1585 NE2 GLN A 103 0.923 13.685 -6.154 1.00 0.00 N ATOM 0 H GLN A 103 3.407 10.134 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 103 4.903 12.620 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.218 13.476 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.192 11.767 -9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.903 12.247 -9.014 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.376 11.571 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.059 12.817 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.643 14.534 -5.662 1.00 0.00 H new ATOM 1594 N LYS A 104 2.812 12.022 -5.266 1.00 0.00 N ATOM 1595 CA LYS A 104 2.331 12.503 -3.944 1.00 0.00 C ATOM 1596 C LYS A 104 3.543 12.521 -2.994 1.00 0.00 C ATOM 1597 O LYS A 104 3.653 13.378 -2.138 1.00 0.00 O ATOM 1598 CB LYS A 104 1.187 11.578 -3.442 1.00 0.00 C ATOM 1599 CG LYS A 104 1.466 11.020 -2.044 1.00 0.00 C ATOM 1600 CD LYS A 104 0.236 10.253 -1.542 1.00 0.00 C ATOM 1601 CE LYS A 104 -0.817 11.218 -0.949 1.00 0.00 C ATOM 1602 NZ LYS A 104 -2.174 10.796 -1.401 1.00 0.00 N ATOM 0 H LYS A 104 2.615 11.041 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 104 1.915 13.509 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.251 12.136 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.056 10.752 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.333 10.360 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.706 11.833 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.205 9.689 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.538 9.530 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.764 11.210 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.614 12.240 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.888 11.441 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.219 10.825 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.363 9.827 -1.073 1.00 0.00 H new ATOM 1616 N TYR A 105 4.465 11.593 -3.151 1.00 0.00 N ATOM 1617 CA TYR A 105 5.675 11.575 -2.271 1.00 0.00 C ATOM 1618 C TYR A 105 6.803 12.340 -2.980 1.00 0.00 C ATOM 1619 O TYR A 105 7.915 12.418 -2.497 1.00 0.00 O ATOM 1620 CB TYR A 105 6.058 10.099 -1.937 1.00 0.00 C ATOM 1621 CG TYR A 105 7.513 9.801 -2.250 1.00 0.00 C ATOM 1622 CD1 TYR A 105 7.953 9.859 -3.568 1.00 0.00 C ATOM 1623 CD2 TYR A 105 8.408 9.457 -1.227 1.00 0.00 C ATOM 1624 CE1 TYR A 105 9.287 9.581 -3.881 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.746 9.178 -1.535 1.00 0.00 C ATOM 1626 CZ TYR A 105 10.186 9.240 -2.863 1.00 0.00 C ATOM 1627 OH TYR A 105 11.503 8.965 -3.168 1.00 0.00 O ATOM 0 H TYR A 105 4.428 10.851 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 105 5.481 12.071 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.868 9.906 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.420 9.422 -2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.260 10.120 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.067 9.407 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.623 9.629 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.438 8.915 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 105 11.991 8.747 -2.346 1.00 0.00 H new ATOM 1637 N GLY A 106 6.521 12.900 -4.126 1.00 0.00 N ATOM 1638 CA GLY A 106 7.568 13.657 -4.871 1.00 0.00 C ATOM 1639 C GLY A 106 7.642 15.089 -4.340 1.00 0.00 C ATOM 1640 O GLY A 106 7.159 15.320 -3.244 1.00 0.00 O ATOM 1641 OXT GLY A 106 8.182 15.932 -5.039 1.00 0.00 O ATOM 0 H GLY A 106 5.608 12.866 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.535 13.166 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.337 13.665 -5.936 1.00 0.00 H new TER 1645 GLY A 106