USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= -6.83! C(o=-18!,f=-22!) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -10.7! C(o=-22!,f=-18!) USER MOD Set 1.3: A 97 THR OG1 : rot 48:sc= -0.512! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.25! C(o=-4.7!,f=-3.9!) USER MOD Set 2.2: A 25 GLN : amide:sc= -1.64 K(o=-3.9,f=-4.6) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -1.42 F(o=-4.7!,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0527 F(o=-1.7!,f=-0.053) USER MOD Single : A 13 ASN : amide:sc= -2.29 K(o=-2.3,f=-7.8!) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.146) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0943 (180deg=-0.744) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 79:sc= 0.829 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.544) USER MOD Single : A 33 MET CE :methyl -169:sc= -0.134 (180deg=-0.822) USER MOD Single : A 41 GLN : amide:sc= -5.03! C(o=-5!,f=-6.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.01 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.145 (180deg=-0.804) USER MOD Single : A 52 SER OG : rot 53:sc= 0.957 USER MOD Single : A 55 SER OG : rot -89:sc= -0.604 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.5) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= -0.0216 (180deg=-0.241) USER MOD Single : A 80 ASN : amide:sc= -7.83! C(o=-7.8!,f=-7.3!) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -0.128 (180deg=-0.736) USER MOD Single : A 85 LYS NZ :NH3+ -135:sc= -1.12 (180deg=-3.24!) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0829 F(o=-1.3,f=-0.083) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 86:sc= 0.538 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.41 K(o=0.41,f=-0.6) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.07 F(o=-4.6!,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= 0.95 (180deg=0.444) USER MOD Single : A 105 TYR OH : rot 70:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.015 9.547 1.803 1.00 0.00 N ATOM 2 CA ALA A 1 -16.947 8.538 1.554 1.00 0.00 C ATOM 3 C ALA A 1 -15.648 9.253 1.185 1.00 0.00 C ATOM 4 O ALA A 1 -15.150 9.141 0.083 1.00 0.00 O ATOM 5 CB ALA A 1 -17.369 7.632 0.404 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.900 9.061 2.054 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.728 10.170 2.585 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.164 10.114 0.944 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.791 7.941 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.590 6.892 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.298 7.124 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.522 8.231 -0.494 1.00 0.00 H new ATOM 10 N ASP A 2 -15.104 9.994 2.106 1.00 0.00 N ATOM 11 CA ASP A 2 -13.837 10.737 1.830 1.00 0.00 C ATOM 12 C ASP A 2 -12.630 9.803 1.976 1.00 0.00 C ATOM 13 O ASP A 2 -12.746 8.596 1.901 1.00 0.00 O ATOM 14 CB ASP A 2 -13.708 11.902 2.822 1.00 0.00 C ATOM 15 CG ASP A 2 -12.720 12.947 2.288 1.00 0.00 C ATOM 16 OD1 ASP A 2 -12.539 13.011 1.083 1.00 0.00 O ATOM 17 OD2 ASP A 2 -12.162 13.670 3.098 1.00 0.00 O ATOM 0 H ASP A 2 -15.482 10.120 3.045 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.863 11.120 0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.683 12.362 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.368 11.530 3.788 1.00 0.00 H new ATOM 22 N LEU A 3 -11.472 10.369 2.181 1.00 0.00 N ATOM 23 CA LEU A 3 -10.232 9.552 2.335 1.00 0.00 C ATOM 24 C LEU A 3 -10.474 8.416 3.337 1.00 0.00 C ATOM 25 O LEU A 3 -9.924 7.339 3.211 1.00 0.00 O ATOM 26 CB LEU A 3 -9.108 10.467 2.854 1.00 0.00 C ATOM 27 CG LEU A 3 -8.359 11.134 1.686 1.00 0.00 C ATOM 28 CD1 LEU A 3 -7.557 10.090 0.880 1.00 0.00 C ATOM 29 CD2 LEU A 3 -9.368 11.843 0.772 1.00 0.00 C ATOM 0 H LEU A 3 -11.330 11.377 2.249 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.953 9.118 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.529 11.233 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.409 9.886 3.455 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.656 11.863 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.036 10.585 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.830 9.607 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.238 9.340 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.839 12.316 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.078 11.115 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.904 12.602 1.342 1.00 0.00 H new ATOM 41 N GLU A 4 -11.271 8.654 4.334 1.00 0.00 N ATOM 42 CA GLU A 4 -11.526 7.597 5.350 1.00 0.00 C ATOM 43 C GLU A 4 -12.078 6.344 4.671 1.00 0.00 C ATOM 44 O GLU A 4 -11.904 5.241 5.152 1.00 0.00 O ATOM 45 CB GLU A 4 -12.549 8.121 6.365 1.00 0.00 C ATOM 46 CG GLU A 4 -13.920 8.292 5.685 1.00 0.00 C ATOM 47 CD GLU A 4 -14.754 9.329 6.444 1.00 0.00 C ATOM 48 OE1 GLU A 4 -14.933 9.157 7.639 1.00 0.00 O ATOM 49 OE2 GLU A 4 -15.196 10.278 5.818 1.00 0.00 O ATOM 0 H GLU A 4 -11.759 9.536 4.492 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.594 7.345 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.632 7.428 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.214 9.075 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.785 8.608 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.445 7.337 5.661 1.00 0.00 H new ATOM 56 N ASP A 5 -12.755 6.498 3.568 1.00 0.00 N ATOM 57 CA ASP A 5 -13.325 5.304 2.883 1.00 0.00 C ATOM 58 C ASP A 5 -12.227 4.520 2.163 1.00 0.00 C ATOM 59 O ASP A 5 -12.217 3.306 2.201 1.00 0.00 O ATOM 60 CB ASP A 5 -14.395 5.748 1.882 1.00 0.00 C ATOM 61 CG ASP A 5 -14.874 4.544 1.067 1.00 0.00 C ATOM 62 OD1 ASP A 5 -15.106 3.504 1.661 1.00 0.00 O ATOM 63 OD2 ASP A 5 -15.001 4.682 -0.138 1.00 0.00 O ATOM 0 H ASP A 5 -12.938 7.392 3.113 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.777 4.653 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.235 6.199 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.990 6.511 1.217 1.00 0.00 H new ATOM 68 N ASN A 6 -11.294 5.181 1.515 1.00 0.00 N ATOM 69 CA ASN A 6 -10.208 4.421 0.826 1.00 0.00 C ATOM 70 C ASN A 6 -9.655 3.425 1.849 1.00 0.00 C ATOM 71 O ASN A 6 -9.396 2.275 1.558 1.00 0.00 O ATOM 72 CB ASN A 6 -9.121 5.414 0.326 1.00 0.00 C ATOM 73 CG ASN A 6 -7.710 4.930 0.671 1.00 0.00 C ATOM 74 OD1 ASN A 6 -7.347 4.878 1.920 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -6.934 4.597 -0.204 1.00 0.00 N flip ATOM 0 H ASN A 6 -11.240 6.196 1.436 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.569 3.882 -0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.210 5.537 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.289 6.393 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.220 4.638 -1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.997 4.276 0.040 1.00 0.00 H new ATOM 82 N TRP A 7 -9.520 3.875 3.064 1.00 0.00 N ATOM 83 CA TRP A 7 -9.040 2.991 4.151 1.00 0.00 C ATOM 84 C TRP A 7 -10.021 1.818 4.298 1.00 0.00 C ATOM 85 O TRP A 7 -9.632 0.691 4.531 1.00 0.00 O ATOM 86 CB TRP A 7 -8.994 3.804 5.464 1.00 0.00 C ATOM 87 CG TRP A 7 -7.593 4.249 5.748 1.00 0.00 C ATOM 88 CD1 TRP A 7 -6.938 5.179 5.029 1.00 0.00 C ATOM 89 CD2 TRP A 7 -6.670 3.803 6.786 1.00 0.00 C ATOM 90 NE1 TRP A 7 -5.674 5.351 5.561 1.00 0.00 N ATOM 91 CE2 TRP A 7 -5.459 4.523 6.644 1.00 0.00 C ATOM 92 CE3 TRP A 7 -6.761 2.861 7.826 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -4.378 4.319 7.502 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -5.673 2.649 8.691 1.00 0.00 C ATOM 95 CH2 TRP A 7 -4.484 3.379 8.530 1.00 0.00 C ATOM 0 H TRP A 7 -9.726 4.832 3.350 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.045 2.608 3.925 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.650 4.671 5.387 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.365 3.197 6.290 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.336 5.706 4.174 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.985 6.009 5.198 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.672 2.297 7.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.466 4.883 7.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.752 1.920 9.484 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -3.653 3.214 9.200 1.00 0.00 H new ATOM 106 N GLU A 8 -11.295 2.093 4.180 1.00 0.00 N ATOM 107 CA GLU A 8 -12.313 1.015 4.329 1.00 0.00 C ATOM 108 C GLU A 8 -12.068 -0.062 3.278 1.00 0.00 C ATOM 109 O GLU A 8 -11.999 -1.235 3.586 1.00 0.00 O ATOM 110 CB GLU A 8 -13.712 1.598 4.144 1.00 0.00 C ATOM 111 CG GLU A 8 -14.756 0.582 4.611 1.00 0.00 C ATOM 112 CD GLU A 8 -16.155 1.178 4.453 1.00 0.00 C ATOM 113 OE1 GLU A 8 -16.666 1.151 3.346 1.00 0.00 O ATOM 114 OE2 GLU A 8 -16.692 1.650 5.442 1.00 0.00 O ATOM 0 H GLU A 8 -11.673 3.020 3.986 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.234 0.579 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.810 2.523 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.877 1.849 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.672 -0.335 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.578 0.315 5.653 1.00 0.00 H new ATOM 121 N THR A 9 -11.912 0.318 2.037 1.00 0.00 N ATOM 122 CA THR A 9 -11.646 -0.706 0.987 1.00 0.00 C ATOM 123 C THR A 9 -10.475 -1.556 1.462 1.00 0.00 C ATOM 124 O THR A 9 -10.527 -2.771 1.494 1.00 0.00 O ATOM 125 CB THR A 9 -11.265 -0.012 -0.327 1.00 0.00 C ATOM 126 OG1 THR A 9 -12.256 0.953 -0.657 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.175 -1.053 -1.444 1.00 0.00 C ATOM 0 H THR A 9 -11.957 1.283 1.708 1.00 0.00 H new ATOM 0 HA THR A 9 -12.531 -1.319 0.818 1.00 0.00 H new ATOM 0 HB THR A 9 -10.300 0.482 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.013 1.398 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.904 -0.561 -2.378 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.417 -1.794 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.140 -1.547 -1.560 1.00 0.00 H new ATOM 135 N LEU A 10 -9.430 -0.900 1.856 1.00 0.00 N ATOM 136 CA LEU A 10 -8.237 -1.603 2.364 1.00 0.00 C ATOM 137 C LEU A 10 -8.602 -2.357 3.646 1.00 0.00 C ATOM 138 O LEU A 10 -7.998 -3.342 3.986 1.00 0.00 O ATOM 139 CB LEU A 10 -7.169 -0.543 2.667 1.00 0.00 C ATOM 140 CG LEU A 10 -6.271 -0.296 1.424 1.00 0.00 C ATOM 141 CD1 LEU A 10 -5.935 1.189 1.310 1.00 0.00 C ATOM 142 CD2 LEU A 10 -4.970 -1.089 1.558 1.00 0.00 C ATOM 0 H LEU A 10 -9.353 0.117 1.846 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.864 -2.319 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.649 0.389 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.555 -0.868 3.507 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.810 -0.619 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.305 1.353 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.856 1.763 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.404 1.512 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.344 -0.912 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.439 -0.769 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.198 -2.152 1.632 1.00 0.00 H new ATOM 154 N ASN A 11 -9.567 -1.892 4.378 1.00 0.00 N ATOM 155 CA ASN A 11 -9.921 -2.595 5.638 1.00 0.00 C ATOM 156 C ASN A 11 -10.434 -3.996 5.329 1.00 0.00 C ATOM 157 O ASN A 11 -9.815 -4.991 5.653 1.00 0.00 O ATOM 158 CB ASN A 11 -11.023 -1.834 6.359 1.00 0.00 C ATOM 159 CG ASN A 11 -11.172 -2.383 7.784 1.00 0.00 C ATOM 160 OD1 ASN A 11 -10.161 -2.993 8.351 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -12.219 -2.256 8.387 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.123 -1.064 4.164 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.030 -2.654 6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.786 -0.771 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.964 -1.935 5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.007 -1.781 7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.310 -2.624 9.334 1.00 0.00 H new ATOM 168 N ASP A 12 -11.576 -4.071 4.713 1.00 0.00 N ATOM 169 CA ASP A 12 -12.163 -5.393 4.384 1.00 0.00 C ATOM 170 C ASP A 12 -11.117 -6.241 3.691 1.00 0.00 C ATOM 171 O ASP A 12 -11.229 -7.450 3.626 1.00 0.00 O ATOM 172 CB ASP A 12 -13.323 -5.203 3.421 1.00 0.00 C ATOM 173 CG ASP A 12 -14.521 -4.597 4.156 1.00 0.00 C ATOM 174 OD1 ASP A 12 -14.532 -3.391 4.337 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.406 -5.352 4.526 1.00 0.00 O ATOM 0 H ASP A 12 -12.132 -3.267 4.421 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.504 -5.874 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.022 -4.552 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.602 -6.161 2.982 1.00 0.00 H new ATOM 180 N ASN A 13 -10.103 -5.630 3.152 1.00 0.00 N ATOM 181 CA ASN A 13 -9.087 -6.451 2.457 1.00 0.00 C ATOM 182 C ASN A 13 -8.339 -7.282 3.508 1.00 0.00 C ATOM 183 O ASN A 13 -8.395 -8.492 3.492 1.00 0.00 O ATOM 184 CB ASN A 13 -8.119 -5.556 1.657 1.00 0.00 C ATOM 185 CG ASN A 13 -8.604 -5.427 0.208 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.203 -6.193 -0.644 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.450 -4.486 -0.104 1.00 0.00 N ATOM 0 H ASN A 13 -9.938 -4.624 3.162 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.569 -7.118 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.057 -4.570 2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.116 -5.982 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.777 -4.392 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.786 -3.843 0.614 1.00 0.00 H new ATOM 194 N LEU A 14 -7.665 -6.649 4.436 1.00 0.00 N ATOM 195 CA LEU A 14 -6.950 -7.429 5.488 1.00 0.00 C ATOM 196 C LEU A 14 -7.942 -8.386 6.147 1.00 0.00 C ATOM 197 O LEU A 14 -7.599 -9.475 6.560 1.00 0.00 O ATOM 198 CB LEU A 14 -6.398 -6.482 6.566 1.00 0.00 C ATOM 199 CG LEU A 14 -5.112 -5.775 6.090 1.00 0.00 C ATOM 200 CD1 LEU A 14 -3.988 -6.788 5.820 1.00 0.00 C ATOM 201 CD2 LEU A 14 -5.408 -4.977 4.822 1.00 0.00 C ATOM 0 H LEU A 14 -7.580 -5.635 4.509 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.127 -7.977 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.152 -5.737 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.190 -7.046 7.475 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.777 -5.102 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.095 -6.260 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.765 -7.336 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.306 -7.487 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.499 -4.478 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.761 -5.651 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.175 -4.232 5.032 1.00 0.00 H new ATOM 213 N LYS A 15 -9.167 -7.972 6.258 1.00 0.00 N ATOM 214 CA LYS A 15 -10.200 -8.824 6.903 1.00 0.00 C ATOM 215 C LYS A 15 -10.329 -10.162 6.174 1.00 0.00 C ATOM 216 O LYS A 15 -10.308 -11.213 6.782 1.00 0.00 O ATOM 217 CB LYS A 15 -11.537 -8.082 6.824 1.00 0.00 C ATOM 218 CG LYS A 15 -12.598 -8.786 7.678 1.00 0.00 C ATOM 219 CD LYS A 15 -13.969 -8.065 7.523 1.00 0.00 C ATOM 220 CE LYS A 15 -14.932 -8.906 6.673 1.00 0.00 C ATOM 221 NZ LYS A 15 -15.386 -10.090 7.457 1.00 0.00 N ATOM 0 H LYS A 15 -9.503 -7.068 5.926 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.918 -9.021 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.410 -7.055 7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.871 -8.033 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.689 -9.828 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.294 -8.785 8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.405 -7.887 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.822 -7.090 7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.790 -8.304 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.437 -9.231 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.226 -10.505 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.625 -10.798 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.625 -9.795 8.425 1.00 0.00 H new ATOM 235 N VAL A 16 -10.492 -10.141 4.885 1.00 0.00 N ATOM 236 CA VAL A 16 -10.659 -11.404 4.147 1.00 0.00 C ATOM 237 C VAL A 16 -9.371 -12.235 4.169 1.00 0.00 C ATOM 238 O VAL A 16 -9.400 -13.364 4.585 1.00 0.00 O ATOM 239 CB VAL A 16 -11.105 -11.063 2.723 1.00 0.00 C ATOM 240 CG1 VAL A 16 -10.962 -12.279 1.815 1.00 0.00 C ATOM 241 CG2 VAL A 16 -12.573 -10.640 2.757 1.00 0.00 C ATOM 0 H VAL A 16 -10.516 -9.296 4.314 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.420 -12.023 4.623 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.481 -10.257 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.283 -12.020 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.919 -12.596 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.581 -13.092 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.904 -10.394 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.178 -11.458 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.685 -9.766 3.399 1.00 0.00 H new ATOM 251 N ILE A 17 -8.244 -11.724 3.735 1.00 0.00 N ATOM 252 CA ILE A 17 -7.006 -12.583 3.774 1.00 0.00 C ATOM 253 C ILE A 17 -6.898 -13.170 5.184 1.00 0.00 C ATOM 254 O ILE A 17 -6.661 -14.347 5.368 1.00 0.00 O ATOM 255 CB ILE A 17 -5.727 -11.757 3.428 1.00 0.00 C ATOM 256 CG1 ILE A 17 -6.122 -10.321 3.082 1.00 0.00 C ATOM 257 CG2 ILE A 17 -5.001 -12.371 2.224 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.880 -9.488 2.729 1.00 0.00 C ATOM 0 H ILE A 17 -8.122 -10.781 3.366 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.082 -13.375 3.029 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.065 -11.768 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.817 -10.322 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.642 -9.868 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.112 -11.783 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.709 -13.395 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.666 -12.372 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.182 -8.469 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.199 -9.471 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.376 -9.932 1.870 1.00 0.00 H new ATOM 270 N GLU A 18 -7.116 -12.355 6.176 1.00 0.00 N ATOM 271 CA GLU A 18 -7.073 -12.850 7.574 1.00 0.00 C ATOM 272 C GLU A 18 -8.125 -13.949 7.745 1.00 0.00 C ATOM 273 O GLU A 18 -7.953 -14.871 8.519 1.00 0.00 O ATOM 274 CB GLU A 18 -7.408 -11.693 8.524 1.00 0.00 C ATOM 275 CG GLU A 18 -6.266 -10.653 8.540 1.00 0.00 C ATOM 276 CD GLU A 18 -5.281 -10.964 9.675 1.00 0.00 C ATOM 277 OE1 GLU A 18 -4.408 -11.790 9.467 1.00 0.00 O ATOM 278 OE2 GLU A 18 -5.421 -10.369 10.732 1.00 0.00 O ATOM 0 H GLU A 18 -7.323 -11.361 6.076 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.081 -13.243 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.337 -11.216 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.571 -12.078 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.744 -10.661 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.678 -9.652 8.670 1.00 0.00 H new ATOM 285 N LYS A 19 -9.232 -13.840 7.040 1.00 0.00 N ATOM 286 CA LYS A 19 -10.332 -14.853 7.165 1.00 0.00 C ATOM 287 C LYS A 19 -10.677 -15.428 5.784 1.00 0.00 C ATOM 288 O LYS A 19 -11.822 -15.696 5.482 1.00 0.00 O ATOM 289 CB LYS A 19 -11.563 -14.146 7.754 1.00 0.00 C ATOM 290 CG LYS A 19 -11.224 -13.565 9.151 1.00 0.00 C ATOM 291 CD LYS A 19 -11.969 -12.240 9.387 1.00 0.00 C ATOM 292 CE LYS A 19 -13.479 -12.478 9.332 1.00 0.00 C ATOM 293 NZ LYS A 19 -13.856 -13.503 10.348 1.00 0.00 N ATOM 0 H LYS A 19 -9.420 -13.086 6.379 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.017 -15.672 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.887 -13.347 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.392 -14.849 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.496 -14.283 9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.149 -13.402 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.692 -11.824 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.679 -11.510 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.012 -11.547 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.770 -12.813 8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.869 -13.417 10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.663 -14.453 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.300 -13.354 11.214 1.00 0.00 H new ATOM 307 N ALA A 20 -9.693 -15.603 4.940 1.00 0.00 N ATOM 308 CA ALA A 20 -9.956 -16.142 3.572 1.00 0.00 C ATOM 309 C ALA A 20 -10.486 -17.573 3.663 1.00 0.00 C ATOM 310 O ALA A 20 -11.061 -18.087 2.726 1.00 0.00 O ATOM 311 CB ALA A 20 -8.654 -16.121 2.760 1.00 0.00 C ATOM 0 H ALA A 20 -8.715 -15.395 5.140 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.705 -15.522 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.842 -16.514 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.289 -15.097 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.905 -16.738 3.257 1.00 0.00 H new ATOM 317 N ASP A 21 -10.274 -18.224 4.773 1.00 0.00 N ATOM 318 CA ASP A 21 -10.739 -19.632 4.934 1.00 0.00 C ATOM 319 C ASP A 21 -9.961 -20.543 3.978 1.00 0.00 C ATOM 320 O ASP A 21 -9.688 -21.688 4.279 1.00 0.00 O ATOM 321 CB ASP A 21 -12.240 -19.724 4.632 1.00 0.00 C ATOM 322 CG ASP A 21 -12.953 -18.507 5.223 1.00 0.00 C ATOM 323 OD1 ASP A 21 -12.397 -17.897 6.121 1.00 0.00 O ATOM 324 OD2 ASP A 21 -14.045 -18.205 4.768 1.00 0.00 O ATOM 0 H ASP A 21 -9.793 -17.837 5.585 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.563 -19.952 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.403 -19.767 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.652 -20.641 5.054 1.00 0.00 H new ATOM 329 N ASN A 22 -9.594 -20.040 2.830 1.00 0.00 N ATOM 330 CA ASN A 22 -8.825 -20.868 1.852 1.00 0.00 C ATOM 331 C ASN A 22 -7.970 -19.953 0.971 1.00 0.00 C ATOM 332 O ASN A 22 -8.306 -18.810 0.739 1.00 0.00 O ATOM 333 CB ASN A 22 -9.794 -21.663 0.974 1.00 0.00 C ATOM 334 CG ASN A 22 -10.904 -22.252 1.845 1.00 0.00 C ATOM 335 OD1 ASN A 22 -12.005 -21.577 2.011 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -10.766 -23.333 2.380 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.794 -19.087 2.525 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.180 -21.560 2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.222 -21.016 0.208 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.262 -22.461 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.903 -23.860 2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.513 -23.714 2.961 1.00 0.00 H new ATOM 343 N ALA A 23 -6.869 -20.448 0.475 1.00 0.00 N ATOM 344 CA ALA A 23 -5.998 -19.607 -0.394 1.00 0.00 C ATOM 345 C ALA A 23 -6.832 -18.987 -1.517 1.00 0.00 C ATOM 346 O ALA A 23 -6.400 -18.077 -2.191 1.00 0.00 O ATOM 347 CB ALA A 23 -4.896 -20.476 -1.004 1.00 0.00 C ATOM 0 H ALA A 23 -6.535 -21.399 0.634 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.551 -18.814 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.258 -19.862 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.297 -20.917 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.347 -21.269 -1.600 1.00 0.00 H new ATOM 353 N ALA A 24 -8.017 -19.480 -1.736 1.00 0.00 N ATOM 354 CA ALA A 24 -8.863 -18.919 -2.827 1.00 0.00 C ATOM 355 C ALA A 24 -9.301 -17.490 -2.486 1.00 0.00 C ATOM 356 O ALA A 24 -9.053 -16.566 -3.236 1.00 0.00 O ATOM 357 CB ALA A 24 -10.102 -19.797 -3.020 1.00 0.00 C ATOM 0 H ALA A 24 -8.437 -20.246 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.278 -18.899 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.719 -19.385 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.794 -20.808 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.677 -19.824 -2.094 1.00 0.00 H new ATOM 363 N GLN A 25 -9.966 -17.293 -1.375 1.00 0.00 N ATOM 364 CA GLN A 25 -10.422 -15.916 -1.030 1.00 0.00 C ATOM 365 C GLN A 25 -9.214 -15.008 -0.788 1.00 0.00 C ATOM 366 O GLN A 25 -9.337 -13.799 -0.751 1.00 0.00 O ATOM 367 CB GLN A 25 -11.293 -15.957 0.231 1.00 0.00 C ATOM 368 CG GLN A 25 -12.689 -16.572 -0.083 1.00 0.00 C ATOM 369 CD GLN A 25 -12.970 -17.765 0.844 1.00 0.00 C ATOM 370 OE1 GLN A 25 -13.480 -17.595 1.933 1.00 0.00 O ATOM 371 NE2 GLN A 25 -12.656 -18.970 0.451 1.00 0.00 N ATOM 0 H GLN A 25 -10.210 -18.018 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.006 -15.520 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.796 -16.545 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.415 -14.949 0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.463 -15.815 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.725 -16.895 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.228 -19.113 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.839 -19.769 1.059 1.00 0.00 H new ATOM 380 N VAL A 26 -8.044 -15.569 -0.641 1.00 0.00 N ATOM 381 CA VAL A 26 -6.845 -14.723 -0.424 1.00 0.00 C ATOM 382 C VAL A 26 -6.542 -14.001 -1.741 1.00 0.00 C ATOM 383 O VAL A 26 -6.396 -12.796 -1.784 1.00 0.00 O ATOM 384 CB VAL A 26 -5.660 -15.625 -0.029 1.00 0.00 C ATOM 385 CG1 VAL A 26 -4.341 -14.874 -0.221 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.792 -16.080 1.438 1.00 0.00 C ATOM 0 H VAL A 26 -7.871 -16.574 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.013 -13.997 0.371 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.668 -16.506 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.510 -15.520 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.236 -14.584 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.336 -13.982 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.946 -16.716 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.804 -15.207 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.719 -16.639 1.563 1.00 0.00 H new ATOM 396 N LYS A 27 -6.457 -14.739 -2.813 1.00 0.00 N ATOM 397 CA LYS A 27 -6.174 -14.114 -4.134 1.00 0.00 C ATOM 398 C LYS A 27 -7.208 -13.029 -4.406 1.00 0.00 C ATOM 399 O LYS A 27 -6.916 -11.991 -4.967 1.00 0.00 O ATOM 400 CB LYS A 27 -6.270 -15.171 -5.239 1.00 0.00 C ATOM 401 CG LYS A 27 -5.390 -16.373 -4.887 1.00 0.00 C ATOM 402 CD LYS A 27 -5.676 -17.541 -5.846 1.00 0.00 C ATOM 403 CE LYS A 27 -5.653 -17.058 -7.300 1.00 0.00 C ATOM 404 NZ LYS A 27 -5.509 -18.231 -8.211 1.00 0.00 N ATOM 0 H LYS A 27 -6.572 -15.752 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.172 -13.686 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.305 -15.490 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.954 -14.744 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.338 -16.093 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.579 -16.682 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.933 -18.326 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.648 -17.978 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.571 -16.516 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.827 -16.363 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.493 -17.904 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.622 -18.730 -7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.312 -18.878 -8.073 1.00 0.00 H new ATOM 418 N ASP A 28 -8.418 -13.279 -4.013 1.00 0.00 N ATOM 419 CA ASP A 28 -9.507 -12.296 -4.235 1.00 0.00 C ATOM 420 C ASP A 28 -9.169 -10.998 -3.507 1.00 0.00 C ATOM 421 O ASP A 28 -9.004 -9.969 -4.115 1.00 0.00 O ATOM 422 CB ASP A 28 -10.823 -12.903 -3.693 1.00 0.00 C ATOM 423 CG ASP A 28 -11.973 -12.692 -4.689 1.00 0.00 C ATOM 424 OD1 ASP A 28 -11.986 -11.661 -5.340 1.00 0.00 O ATOM 425 OD2 ASP A 28 -12.816 -13.568 -4.783 1.00 0.00 O ATOM 0 H ASP A 28 -8.705 -14.136 -3.540 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.621 -12.074 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.688 -13.969 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.075 -12.443 -2.738 1.00 0.00 H new ATOM 430 N ALA A 29 -9.068 -11.049 -2.213 1.00 0.00 N ATOM 431 CA ALA A 29 -8.762 -9.813 -1.435 1.00 0.00 C ATOM 432 C ALA A 29 -7.555 -9.085 -2.025 1.00 0.00 C ATOM 433 O ALA A 29 -7.594 -7.892 -2.252 1.00 0.00 O ATOM 434 CB ALA A 29 -8.447 -10.193 0.008 1.00 0.00 C ATOM 0 H ALA A 29 -9.184 -11.894 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.629 -9.154 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.223 -9.293 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.307 -10.698 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.585 -10.860 0.029 1.00 0.00 H new ATOM 440 N LEU A 30 -6.480 -9.777 -2.260 1.00 0.00 N ATOM 441 CA LEU A 30 -5.279 -9.099 -2.815 1.00 0.00 C ATOM 442 C LEU A 30 -5.618 -8.446 -4.153 1.00 0.00 C ATOM 443 O LEU A 30 -5.130 -7.380 -4.470 1.00 0.00 O ATOM 444 CB LEU A 30 -4.146 -10.118 -2.976 1.00 0.00 C ATOM 445 CG LEU A 30 -3.658 -10.550 -1.573 1.00 0.00 C ATOM 446 CD1 LEU A 30 -2.933 -11.896 -1.654 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.689 -9.502 -0.997 1.00 0.00 C ATOM 0 H LEU A 30 -6.380 -10.778 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.952 -8.317 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.495 -10.985 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.324 -9.681 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.530 -10.640 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.595 -12.188 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.614 -12.653 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.073 -11.807 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.354 -9.820 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.828 -9.401 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.198 -8.542 -0.916 1.00 0.00 H new ATOM 459 N THR A 31 -6.461 -9.055 -4.937 1.00 0.00 N ATOM 460 CA THR A 31 -6.829 -8.440 -6.231 1.00 0.00 C ATOM 461 C THR A 31 -7.562 -7.117 -5.962 1.00 0.00 C ATOM 462 O THR A 31 -7.473 -6.178 -6.731 1.00 0.00 O ATOM 463 CB THR A 31 -7.725 -9.408 -7.005 1.00 0.00 C ATOM 464 OG1 THR A 31 -6.957 -10.529 -7.418 1.00 0.00 O ATOM 465 CG2 THR A 31 -8.302 -8.708 -8.227 1.00 0.00 C ATOM 0 H THR A 31 -6.908 -9.949 -4.735 1.00 0.00 H new ATOM 0 HA THR A 31 -5.939 -8.235 -6.826 1.00 0.00 H new ATOM 0 HB THR A 31 -8.541 -9.740 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.847 -11.146 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.940 -9.401 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.890 -7.847 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.490 -8.374 -8.872 1.00 0.00 H new ATOM 473 N LYS A 32 -8.267 -7.017 -4.862 1.00 0.00 N ATOM 474 CA LYS A 32 -8.962 -5.732 -4.554 1.00 0.00 C ATOM 475 C LYS A 32 -7.892 -4.732 -4.119 1.00 0.00 C ATOM 476 O LYS A 32 -7.895 -3.587 -4.521 1.00 0.00 O ATOM 477 CB LYS A 32 -10.030 -5.897 -3.444 1.00 0.00 C ATOM 478 CG LYS A 32 -10.655 -7.302 -3.474 1.00 0.00 C ATOM 479 CD LYS A 32 -11.531 -7.498 -4.738 1.00 0.00 C ATOM 480 CE LYS A 32 -11.495 -8.970 -5.210 1.00 0.00 C ATOM 481 NZ LYS A 32 -12.810 -9.324 -5.818 1.00 0.00 N ATOM 0 H LYS A 32 -8.390 -7.759 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.493 -5.384 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.575 -5.720 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.810 -5.147 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.867 -8.054 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.261 -7.452 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.559 -7.206 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.176 -6.847 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.695 -9.112 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.281 -9.629 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.900 -10.359 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.578 -8.940 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.870 -8.920 -6.775 1.00 0.00 H new ATOM 495 N MET A 33 -6.955 -5.173 -3.316 1.00 0.00 N ATOM 496 CA MET A 33 -5.868 -4.262 -2.881 1.00 0.00 C ATOM 497 C MET A 33 -5.224 -3.678 -4.136 1.00 0.00 C ATOM 498 O MET A 33 -4.906 -2.522 -4.187 1.00 0.00 O ATOM 499 CB MET A 33 -4.835 -5.063 -2.075 1.00 0.00 C ATOM 500 CG MET A 33 -5.208 -5.107 -0.565 1.00 0.00 C ATOM 501 SD MET A 33 -5.069 -6.807 0.060 1.00 0.00 S ATOM 502 CE MET A 33 -3.631 -6.569 1.132 1.00 0.00 C ATOM 0 H MET A 33 -6.901 -6.123 -2.947 1.00 0.00 H new ATOM 0 HA MET A 33 -6.253 -3.460 -2.252 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.773 -6.078 -2.466 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.849 -4.614 -2.195 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.549 -4.448 0.000 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.224 -4.740 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.260 -7.539 1.463 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.848 -6.050 0.580 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.918 -5.975 2.000 1.00 0.00 H new ATOM 512 N ARG A 34 -5.061 -4.458 -5.170 1.00 0.00 N ATOM 513 CA ARG A 34 -4.480 -3.897 -6.427 1.00 0.00 C ATOM 514 C ARG A 34 -5.282 -2.642 -6.776 1.00 0.00 C ATOM 515 O ARG A 34 -4.742 -1.589 -7.052 1.00 0.00 O ATOM 516 CB ARG A 34 -4.636 -4.942 -7.558 1.00 0.00 C ATOM 517 CG ARG A 34 -3.276 -5.520 -8.014 1.00 0.00 C ATOM 518 CD ARG A 34 -2.883 -6.714 -7.136 1.00 0.00 C ATOM 519 NE ARG A 34 -2.991 -6.342 -5.697 1.00 0.00 N ATOM 520 CZ ARG A 34 -2.122 -5.526 -5.165 1.00 0.00 C ATOM 521 NH1 ARG A 34 -1.162 -5.026 -5.891 1.00 0.00 N ATOM 522 NH2 ARG A 34 -2.220 -5.207 -3.907 1.00 0.00 N ATOM 0 H ARG A 34 -5.301 -5.449 -5.201 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.424 -3.657 -6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.276 -5.754 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.136 -4.481 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.337 -5.831 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.508 -4.749 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.531 -7.564 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.864 -7.025 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.745 -6.725 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.088 -5.272 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.485 -4.389 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.974 -5.594 -3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.543 -4.570 -3.488 1.00 0.00 H new ATOM 536 N ALA A 35 -6.576 -2.767 -6.756 1.00 0.00 N ATOM 537 CA ALA A 35 -7.446 -1.605 -7.073 1.00 0.00 C ATOM 538 C ALA A 35 -7.306 -0.556 -5.966 1.00 0.00 C ATOM 539 O ALA A 35 -7.011 0.595 -6.217 1.00 0.00 O ATOM 540 CB ALA A 35 -8.896 -2.080 -7.170 1.00 0.00 C ATOM 0 H ALA A 35 -7.072 -3.630 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.150 -1.161 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.542 -1.233 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.982 -2.829 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.200 -2.518 -6.219 1.00 0.00 H new ATOM 546 N ALA A 36 -7.515 -0.953 -4.739 1.00 0.00 N ATOM 547 CA ALA A 36 -7.396 0.005 -3.603 1.00 0.00 C ATOM 548 C ALA A 36 -5.942 0.487 -3.483 1.00 0.00 C ATOM 549 O ALA A 36 -5.663 1.520 -2.908 1.00 0.00 O ATOM 550 CB ALA A 36 -7.812 -0.708 -2.308 1.00 0.00 C ATOM 0 H ALA A 36 -7.765 -1.906 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.042 0.866 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.729 -0.017 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.843 -1.050 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.159 -1.564 -2.138 1.00 0.00 H new ATOM 556 N ALA A 37 -5.013 -0.273 -4.001 1.00 0.00 N ATOM 557 CA ALA A 37 -3.575 0.105 -3.901 1.00 0.00 C ATOM 558 C ALA A 37 -3.285 1.365 -4.715 1.00 0.00 C ATOM 559 O ALA A 37 -3.068 2.432 -4.178 1.00 0.00 O ATOM 560 CB ALA A 37 -2.713 -1.044 -4.424 1.00 0.00 C ATOM 0 H ALA A 37 -5.193 -1.148 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.341 0.305 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.660 -0.771 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.897 -1.938 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.966 -1.244 -5.465 1.00 0.00 H new ATOM 566 N LEU A 38 -3.253 1.243 -6.009 1.00 0.00 N ATOM 567 CA LEU A 38 -2.942 2.434 -6.845 1.00 0.00 C ATOM 568 C LEU A 38 -4.022 3.495 -6.642 1.00 0.00 C ATOM 569 O LEU A 38 -3.798 4.684 -6.812 1.00 0.00 O ATOM 570 CB LEU A 38 -2.869 2.046 -8.322 1.00 0.00 C ATOM 571 CG LEU A 38 -1.865 0.884 -8.524 1.00 0.00 C ATOM 572 CD1 LEU A 38 -2.249 0.080 -9.774 1.00 0.00 C ATOM 573 CD2 LEU A 38 -0.435 1.437 -8.685 1.00 0.00 C ATOM 0 H LEU A 38 -3.427 0.379 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.974 2.835 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.856 1.748 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.563 2.907 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.897 0.235 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.541 -0.737 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.253 -0.327 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.227 0.732 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.261 0.610 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.395 2.097 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.158 1.996 -7.791 1.00 0.00 H new ATOM 585 N ASP A 39 -5.193 3.097 -6.236 1.00 0.00 N ATOM 586 CA ASP A 39 -6.239 4.117 -5.997 1.00 0.00 C ATOM 587 C ASP A 39 -5.695 5.018 -4.900 1.00 0.00 C ATOM 588 O ASP A 39 -5.810 6.227 -4.951 1.00 0.00 O ATOM 589 CB ASP A 39 -7.533 3.447 -5.532 1.00 0.00 C ATOM 590 CG ASP A 39 -8.588 4.518 -5.245 1.00 0.00 C ATOM 591 OD1 ASP A 39 -8.551 5.082 -4.163 1.00 0.00 O ATOM 592 OD2 ASP A 39 -9.414 4.755 -6.111 1.00 0.00 O ATOM 0 H ASP A 39 -5.465 2.129 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.468 4.677 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.895 2.761 -6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.347 2.855 -4.636 1.00 0.00 H new ATOM 597 N ALA A 40 -5.045 4.432 -3.930 1.00 0.00 N ATOM 598 CA ALA A 40 -4.433 5.253 -2.863 1.00 0.00 C ATOM 599 C ALA A 40 -3.383 6.159 -3.509 1.00 0.00 C ATOM 600 O ALA A 40 -3.094 7.226 -3.011 1.00 0.00 O ATOM 601 CB ALA A 40 -3.787 4.360 -1.802 1.00 0.00 C ATOM 0 H ALA A 40 -4.915 3.425 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.196 5.854 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.342 4.982 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.545 3.714 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.013 3.747 -2.264 1.00 0.00 H new ATOM 607 N GLN A 41 -2.827 5.755 -4.642 1.00 0.00 N ATOM 608 CA GLN A 41 -1.817 6.629 -5.336 1.00 0.00 C ATOM 609 C GLN A 41 -2.407 8.036 -5.374 1.00 0.00 C ATOM 610 O GLN A 41 -1.736 9.022 -5.142 1.00 0.00 O ATOM 611 CB GLN A 41 -1.580 6.134 -6.783 1.00 0.00 C ATOM 612 CG GLN A 41 -0.283 6.729 -7.357 1.00 0.00 C ATOM 613 CD GLN A 41 -0.393 8.252 -7.431 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.125 8.954 -6.588 1.00 0.00 O ATOM 615 NE2 GLN A 41 -1.050 8.797 -8.418 1.00 0.00 N ATOM 0 H GLN A 41 -3.028 4.870 -5.107 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.863 6.606 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.523 5.046 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.425 6.416 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.564 6.448 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.095 6.321 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.486 8.208 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.128 9.812 -8.480 1.00 0.00 H new ATOM 624 N LYS A 42 -3.685 8.109 -5.646 1.00 0.00 N ATOM 625 CA LYS A 42 -4.393 9.431 -5.689 1.00 0.00 C ATOM 626 C LYS A 42 -5.388 9.543 -4.522 1.00 0.00 C ATOM 627 O LYS A 42 -6.356 10.272 -4.593 1.00 0.00 O ATOM 628 CB LYS A 42 -5.159 9.534 -7.005 1.00 0.00 C ATOM 629 CG LYS A 42 -4.158 9.663 -8.153 1.00 0.00 C ATOM 630 CD LYS A 42 -4.862 9.449 -9.504 1.00 0.00 C ATOM 631 CE LYS A 42 -4.889 7.957 -9.863 1.00 0.00 C ATOM 632 NZ LYS A 42 -5.992 7.702 -10.831 1.00 0.00 N ATOM 0 H LYS A 42 -4.277 7.302 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.660 10.233 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.784 8.652 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.825 10.397 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.693 10.649 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.359 8.931 -8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.880 9.837 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.344 10.008 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.934 7.658 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.033 7.358 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.012 6.691 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.900 7.973 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.835 8.264 -11.692 1.00 0.00 H new ATOM 646 N ALA A 43 -5.154 8.838 -3.446 1.00 0.00 N ATOM 647 CA ALA A 43 -6.081 8.916 -2.278 1.00 0.00 C ATOM 648 C ALA A 43 -5.397 8.283 -1.069 1.00 0.00 C ATOM 649 O ALA A 43 -5.784 7.232 -0.599 1.00 0.00 O ATOM 650 CB ALA A 43 -7.367 8.161 -2.595 1.00 0.00 C ATOM 0 H ALA A 43 -4.359 8.210 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.325 9.957 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.043 8.219 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.845 8.607 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.134 7.117 -2.803 1.00 0.00 H new ATOM 656 N THR A 44 -4.367 8.913 -0.581 1.00 0.00 N ATOM 657 CA THR A 44 -3.601 8.371 0.585 1.00 0.00 C ATOM 658 C THR A 44 -3.582 9.431 1.700 1.00 0.00 C ATOM 659 O THR A 44 -3.719 10.607 1.427 1.00 0.00 O ATOM 660 CB THR A 44 -2.181 8.062 0.081 1.00 0.00 C ATOM 661 OG1 THR A 44 -1.277 7.962 1.166 1.00 0.00 O ATOM 662 CG2 THR A 44 -1.702 9.166 -0.880 1.00 0.00 C ATOM 0 H THR A 44 -4.014 9.798 -0.945 1.00 0.00 H new ATOM 0 HA THR A 44 -4.052 7.466 0.992 1.00 0.00 H new ATOM 0 HB THR A 44 -2.211 7.109 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.379 7.763 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.696 8.934 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.377 9.223 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.694 10.123 -0.359 1.00 0.00 H new ATOM 670 N PRO A 45 -3.435 9.037 2.949 1.00 0.00 N ATOM 671 CA PRO A 45 -3.427 9.991 4.092 1.00 0.00 C ATOM 672 C PRO A 45 -2.814 11.370 3.768 1.00 0.00 C ATOM 673 O PRO A 45 -3.337 12.377 4.201 1.00 0.00 O ATOM 674 CB PRO A 45 -2.644 9.232 5.167 1.00 0.00 C ATOM 675 CG PRO A 45 -3.049 7.810 4.954 1.00 0.00 C ATOM 676 CD PRO A 45 -3.256 7.648 3.435 1.00 0.00 C ATOM 0 HA PRO A 45 -4.437 10.263 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.569 9.365 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -2.900 9.577 6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.281 7.127 5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.964 7.580 5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.398 7.167 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.128 7.032 3.214 1.00 0.00 H new ATOM 684 N PRO A 46 -1.736 11.450 3.016 1.00 0.00 N ATOM 685 CA PRO A 46 -1.105 12.740 2.657 1.00 0.00 C ATOM 686 C PRO A 46 -1.556 13.233 1.273 1.00 0.00 C ATOM 687 O PRO A 46 -1.100 14.251 0.791 1.00 0.00 O ATOM 688 CB PRO A 46 0.400 12.393 2.670 1.00 0.00 C ATOM 689 CG PRO A 46 0.472 10.878 2.611 1.00 0.00 C ATOM 690 CD PRO A 46 -0.959 10.374 2.413 1.00 0.00 C ATOM 0 HA PRO A 46 -1.371 13.550 3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.913 12.843 1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.882 12.773 3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.113 10.553 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.900 10.475 3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.202 10.234 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.129 9.418 2.909 1.00 0.00 H new ATOM 698 N LYS A 47 -2.440 12.508 0.637 1.00 0.00 N ATOM 699 CA LYS A 47 -2.929 12.899 -0.718 1.00 0.00 C ATOM 700 C LYS A 47 -1.756 13.389 -1.577 1.00 0.00 C ATOM 701 O LYS A 47 -1.960 14.079 -2.548 1.00 0.00 O ATOM 702 CB LYS A 47 -4.020 14.014 -0.642 1.00 0.00 C ATOM 703 CG LYS A 47 -4.584 14.170 0.795 1.00 0.00 C ATOM 704 CD LYS A 47 -3.834 15.292 1.591 1.00 0.00 C ATOM 705 CE LYS A 47 -4.769 16.488 1.839 1.00 0.00 C ATOM 706 NZ LYS A 47 -4.111 17.450 2.768 1.00 0.00 N ATOM 0 H LYS A 47 -2.849 11.649 1.005 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.379 12.016 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.594 14.962 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.833 13.775 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.647 14.407 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.493 13.223 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.479 14.896 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.956 15.618 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.005 16.981 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.712 16.144 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.743 18.259 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.908 16.976 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.222 17.787 2.346 1.00 0.00 H new ATOM 720 N LEU A 48 -0.539 13.044 -1.216 1.00 0.00 N ATOM 721 CA LEU A 48 0.657 13.507 -1.996 1.00 0.00 C ATOM 722 C LEU A 48 0.476 14.989 -2.349 1.00 0.00 C ATOM 723 O LEU A 48 0.945 15.858 -1.641 1.00 0.00 O ATOM 724 CB LEU A 48 0.808 12.652 -3.271 1.00 0.00 C ATOM 725 CG LEU A 48 2.217 12.787 -3.904 1.00 0.00 C ATOM 726 CD1 LEU A 48 2.477 14.227 -4.357 1.00 0.00 C ATOM 727 CD2 LEU A 48 3.315 12.356 -2.917 1.00 0.00 C ATOM 0 H LEU A 48 -0.323 12.458 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 48 1.563 13.392 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.619 11.606 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.054 12.952 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 48 2.246 12.128 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.472 14.296 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.731 14.516 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.413 14.896 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.291 12.462 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.272 12.985 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.161 11.315 -2.633 1.00 0.00 H new ATOM 739 N GLU A 49 -0.219 15.294 -3.409 1.00 0.00 N ATOM 740 CA GLU A 49 -0.439 16.721 -3.750 1.00 0.00 C ATOM 741 C GLU A 49 -1.254 17.363 -2.629 1.00 0.00 C ATOM 742 O GLU A 49 -2.453 17.188 -2.546 1.00 0.00 O ATOM 743 CB GLU A 49 -1.222 16.843 -5.055 1.00 0.00 C ATOM 744 CG GLU A 49 -0.534 16.044 -6.168 1.00 0.00 C ATOM 745 CD GLU A 49 -0.832 14.550 -5.998 1.00 0.00 C ATOM 746 OE1 GLU A 49 -1.921 14.230 -5.550 1.00 0.00 O ATOM 747 OE2 GLU A 49 0.032 13.752 -6.319 1.00 0.00 O ATOM 0 H GLU A 49 -0.640 14.620 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 49 0.525 17.216 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.239 16.478 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.298 17.891 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.884 16.385 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.542 16.215 -6.138 1.00 0.00 H new ATOM 754 N ASP A 50 -0.622 18.108 -1.770 1.00 0.00 N ATOM 755 CA ASP A 50 -1.368 18.766 -0.659 1.00 0.00 C ATOM 756 C ASP A 50 -1.812 20.149 -1.141 1.00 0.00 C ATOM 757 O ASP A 50 -2.502 20.876 -0.454 1.00 0.00 O ATOM 758 CB ASP A 50 -0.443 18.925 0.549 1.00 0.00 C ATOM 759 CG ASP A 50 -0.022 17.547 1.060 1.00 0.00 C ATOM 760 OD1 ASP A 50 -0.899 16.760 1.379 1.00 0.00 O ATOM 761 OD2 ASP A 50 1.171 17.300 1.126 1.00 0.00 O ATOM 0 H ASP A 50 0.381 18.292 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.232 18.166 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.437 19.505 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.952 19.477 1.339 1.00 0.00 H new ATOM 766 N LYS A 51 -1.410 20.504 -2.331 1.00 0.00 N ATOM 767 CA LYS A 51 -1.780 21.826 -2.908 1.00 0.00 C ATOM 768 C LYS A 51 -1.473 21.789 -4.410 1.00 0.00 C ATOM 769 O LYS A 51 -2.359 21.667 -5.232 1.00 0.00 O ATOM 770 CB LYS A 51 -0.969 22.938 -2.216 1.00 0.00 C ATOM 771 CG LYS A 51 0.552 22.618 -2.253 1.00 0.00 C ATOM 772 CD LYS A 51 1.200 22.913 -0.893 1.00 0.00 C ATOM 773 CE LYS A 51 2.690 22.575 -0.960 1.00 0.00 C ATOM 774 NZ LYS A 51 3.330 23.365 -2.050 1.00 0.00 N ATOM 0 H LYS A 51 -0.831 19.923 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.839 22.032 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.156 23.892 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.298 23.044 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.702 21.570 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.035 23.212 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.065 23.963 -0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.717 22.326 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.168 22.798 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.824 21.509 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.359 23.393 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.125 22.920 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.953 24.334 -2.044 1.00 0.00 H new ATOM 788 N SER A 52 -0.219 21.860 -4.771 1.00 0.00 N ATOM 789 CA SER A 52 0.165 21.795 -6.197 1.00 0.00 C ATOM 790 C SER A 52 1.697 21.787 -6.306 1.00 0.00 C ATOM 791 O SER A 52 2.281 22.681 -6.884 1.00 0.00 O ATOM 792 CB SER A 52 -0.408 23.009 -6.931 1.00 0.00 C ATOM 793 OG SER A 52 -1.757 22.746 -7.291 1.00 0.00 O ATOM 0 H SER A 52 0.562 21.962 -4.122 1.00 0.00 H new ATOM 0 HA SER A 52 -0.232 20.886 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.355 23.892 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.183 23.222 -7.822 1.00 0.00 H new ATOM 0 HG SER A 52 -2.258 22.463 -6.498 1.00 0.00 H new ATOM 799 N PRO A 53 2.346 20.785 -5.756 1.00 0.00 N ATOM 800 CA PRO A 53 3.835 20.678 -5.807 1.00 0.00 C ATOM 801 C PRO A 53 4.362 20.820 -7.240 1.00 0.00 C ATOM 802 O PRO A 53 4.996 21.796 -7.587 1.00 0.00 O ATOM 803 CB PRO A 53 4.125 19.271 -5.251 1.00 0.00 C ATOM 804 CG PRO A 53 2.945 18.944 -4.393 1.00 0.00 C ATOM 805 CD PRO A 53 1.743 19.648 -5.032 1.00 0.00 C ATOM 0 HA PRO A 53 4.325 21.468 -5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.241 18.545 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.049 19.258 -4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.785 17.867 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.100 19.289 -3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.203 18.984 -5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.030 19.985 -4.279 1.00 0.00 H new ATOM 813 N ASP A 54 4.097 19.845 -8.070 1.00 0.00 N ATOM 814 CA ASP A 54 4.567 19.895 -9.486 1.00 0.00 C ATOM 815 C ASP A 54 3.446 19.380 -10.394 1.00 0.00 C ATOM 816 O ASP A 54 2.986 20.082 -11.271 1.00 0.00 O ATOM 817 CB ASP A 54 5.809 19.011 -9.628 1.00 0.00 C ATOM 818 CG ASP A 54 6.832 19.400 -8.560 1.00 0.00 C ATOM 819 OD1 ASP A 54 7.147 20.575 -8.472 1.00 0.00 O ATOM 820 OD2 ASP A 54 7.280 18.518 -7.847 1.00 0.00 O ATOM 0 H ASP A 54 3.569 19.007 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 54 4.821 20.916 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.536 17.961 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.241 19.128 -10.622 1.00 0.00 H new ATOM 825 N SER A 55 3.022 18.151 -10.167 1.00 0.00 N ATOM 826 CA SER A 55 1.920 17.484 -10.956 1.00 0.00 C ATOM 827 C SER A 55 2.452 16.271 -11.752 1.00 0.00 C ATOM 828 O SER A 55 1.823 15.232 -11.728 1.00 0.00 O ATOM 829 CB SER A 55 1.134 18.451 -11.866 1.00 0.00 C ATOM 830 OG SER A 55 1.911 18.852 -12.980 1.00 0.00 O ATOM 0 H SER A 55 3.412 17.558 -9.435 1.00 0.00 H new ATOM 0 HA SER A 55 1.204 17.125 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.220 17.967 -12.212 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.833 19.329 -11.294 1.00 0.00 H new ATOM 0 HG SER A 55 2.426 19.653 -12.748 1.00 0.00 H new ATOM 836 N PRO A 56 3.594 16.333 -12.421 1.00 0.00 N ATOM 837 CA PRO A 56 4.128 15.147 -13.145 1.00 0.00 C ATOM 838 C PRO A 56 4.822 14.204 -12.153 1.00 0.00 C ATOM 839 O PRO A 56 4.709 12.997 -12.229 1.00 0.00 O ATOM 840 CB PRO A 56 5.146 15.737 -14.155 1.00 0.00 C ATOM 841 CG PRO A 56 5.071 17.228 -13.987 1.00 0.00 C ATOM 842 CD PRO A 56 4.507 17.468 -12.591 1.00 0.00 C ATOM 0 HA PRO A 56 3.352 14.565 -13.643 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.153 15.371 -13.954 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.898 15.445 -15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.056 17.682 -14.093 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.431 17.674 -14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.290 17.477 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.986 18.423 -12.522 1.00 0.00 H new ATOM 850 N GLU A 57 5.533 14.774 -11.215 1.00 0.00 N ATOM 851 CA GLU A 57 6.243 13.961 -10.191 1.00 0.00 C ATOM 852 C GLU A 57 5.230 13.103 -9.431 1.00 0.00 C ATOM 853 O GLU A 57 5.580 12.352 -8.544 1.00 0.00 O ATOM 854 CB GLU A 57 6.967 14.896 -9.213 1.00 0.00 C ATOM 855 CG GLU A 57 8.054 14.120 -8.461 1.00 0.00 C ATOM 856 CD GLU A 57 8.855 15.083 -7.584 1.00 0.00 C ATOM 857 OE1 GLU A 57 9.817 15.646 -8.082 1.00 0.00 O ATOM 858 OE2 GLU A 57 8.493 15.244 -6.430 1.00 0.00 O ATOM 0 H GLU A 57 5.651 15.782 -11.116 1.00 0.00 H new ATOM 0 HA GLU A 57 6.971 13.312 -10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.412 15.730 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.254 15.320 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.601 13.343 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.715 13.621 -9.169 1.00 0.00 H new ATOM 865 N MET A 58 3.974 13.217 -9.755 1.00 0.00 N ATOM 866 CA MET A 58 2.955 12.414 -9.032 1.00 0.00 C ATOM 867 C MET A 58 3.153 10.933 -9.362 1.00 0.00 C ATOM 868 O MET A 58 3.356 10.130 -8.483 1.00 0.00 O ATOM 869 CB MET A 58 1.549 12.878 -9.450 1.00 0.00 C ATOM 870 CG MET A 58 0.501 11.819 -9.080 1.00 0.00 C ATOM 871 SD MET A 58 -1.140 12.592 -9.013 1.00 0.00 S ATOM 872 CE MET A 58 -1.843 11.833 -10.499 1.00 0.00 C ATOM 0 H MET A 58 3.611 13.829 -10.486 1.00 0.00 H new ATOM 0 HA MET A 58 3.064 12.553 -7.956 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.310 13.821 -8.959 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.525 13.062 -10.524 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.506 11.014 -9.815 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.744 11.372 -8.116 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.865 12.184 -10.638 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.243 12.108 -11.367 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.844 10.749 -10.388 1.00 0.00 H new ATOM 882 N LYS A 59 3.104 10.544 -10.605 1.00 0.00 N ATOM 883 CA LYS A 59 3.298 9.095 -10.897 1.00 0.00 C ATOM 884 C LYS A 59 4.594 8.626 -10.222 1.00 0.00 C ATOM 885 O LYS A 59 4.678 7.521 -9.734 1.00 0.00 O ATOM 886 CB LYS A 59 3.365 8.847 -12.419 1.00 0.00 C ATOM 887 CG LYS A 59 2.739 7.463 -12.778 1.00 0.00 C ATOM 888 CD LYS A 59 1.325 7.656 -13.337 1.00 0.00 C ATOM 889 CE LYS A 59 0.718 6.290 -13.642 1.00 0.00 C ATOM 890 NZ LYS A 59 -0.693 6.459 -14.092 1.00 0.00 N ATOM 0 H LYS A 59 2.943 11.146 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 59 2.452 8.530 -10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.834 9.640 -12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.402 8.881 -12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.362 6.952 -13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.705 6.829 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.706 8.190 -12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.358 8.263 -14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.299 5.787 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.754 5.658 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.105 5.527 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.244 6.922 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.716 7.046 -14.950 1.00 0.00 H new ATOM 904 N ASP A 60 5.598 9.464 -10.159 1.00 0.00 N ATOM 905 CA ASP A 60 6.849 9.033 -9.479 1.00 0.00 C ATOM 906 C ASP A 60 6.474 8.632 -8.055 1.00 0.00 C ATOM 907 O ASP A 60 6.966 7.655 -7.515 1.00 0.00 O ATOM 908 CB ASP A 60 7.868 10.178 -9.457 1.00 0.00 C ATOM 909 CG ASP A 60 8.233 10.567 -10.892 1.00 0.00 C ATOM 910 OD1 ASP A 60 7.354 11.032 -11.600 1.00 0.00 O ATOM 911 OD2 ASP A 60 9.383 10.394 -11.257 1.00 0.00 O ATOM 0 H ASP A 60 5.604 10.409 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 60 7.305 8.197 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.453 11.038 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.762 9.872 -8.914 1.00 0.00 H new ATOM 916 N PHE A 61 5.558 9.350 -7.450 1.00 0.00 N ATOM 917 CA PHE A 61 5.122 8.963 -6.084 1.00 0.00 C ATOM 918 C PHE A 61 4.661 7.509 -6.176 1.00 0.00 C ATOM 919 O PHE A 61 4.885 6.715 -5.284 1.00 0.00 O ATOM 920 CB PHE A 61 3.984 9.881 -5.608 1.00 0.00 C ATOM 921 CG PHE A 61 3.565 9.526 -4.190 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.501 9.506 -3.140 1.00 0.00 C ATOM 923 CD2 PHE A 61 2.223 9.223 -3.926 1.00 0.00 C ATOM 924 CE1 PHE A 61 4.086 9.182 -1.841 1.00 0.00 C ATOM 925 CE2 PHE A 61 1.815 8.901 -2.633 1.00 0.00 C ATOM 926 CZ PHE A 61 2.744 8.879 -1.589 1.00 0.00 C ATOM 0 H PHE A 61 5.103 10.175 -7.841 1.00 0.00 H new ATOM 0 HA PHE A 61 5.930 9.064 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.308 10.921 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.130 9.788 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.537 9.740 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.501 9.239 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.803 9.166 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.779 8.668 -2.437 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.426 8.628 -0.588 1.00 0.00 H new ATOM 936 N ARG A 62 4.071 7.140 -7.293 1.00 0.00 N ATOM 937 CA ARG A 62 3.665 5.722 -7.483 1.00 0.00 C ATOM 938 C ARG A 62 4.908 4.877 -7.261 1.00 0.00 C ATOM 939 O ARG A 62 4.849 3.815 -6.705 1.00 0.00 O ATOM 940 CB ARG A 62 3.144 5.498 -8.917 1.00 0.00 C ATOM 941 CG ARG A 62 2.220 4.270 -8.952 1.00 0.00 C ATOM 942 CD ARG A 62 1.871 3.890 -10.410 1.00 0.00 C ATOM 943 NE ARG A 62 0.402 4.047 -10.613 1.00 0.00 N ATOM 944 CZ ARG A 62 -0.190 3.457 -11.616 1.00 0.00 C ATOM 945 NH1 ARG A 62 0.504 2.727 -12.446 1.00 0.00 N ATOM 946 NH2 ARG A 62 -1.475 3.596 -11.787 1.00 0.00 N ATOM 0 H ARG A 62 3.858 7.762 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 62 2.868 5.455 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.603 6.381 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.982 5.353 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.706 3.429 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.306 4.481 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.418 4.526 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.172 2.862 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.142 4.617 -9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.509 2.617 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.041 2.266 -13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.017 4.165 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.938 3.135 -12.570 1.00 0.00 H new ATOM 960 N HIS A 63 6.042 5.365 -7.685 1.00 0.00 N ATOM 961 CA HIS A 63 7.297 4.595 -7.489 1.00 0.00 C ATOM 962 C HIS A 63 7.396 4.183 -6.022 1.00 0.00 C ATOM 963 O HIS A 63 7.724 3.060 -5.714 1.00 0.00 O ATOM 964 CB HIS A 63 8.503 5.467 -7.872 1.00 0.00 C ATOM 965 CG HIS A 63 9.698 4.589 -8.142 1.00 0.00 C ATOM 966 ND1 HIS A 63 9.613 3.452 -8.931 1.00 0.00 N ATOM 967 CD2 HIS A 63 11.007 4.667 -7.736 1.00 0.00 C ATOM 968 CE1 HIS A 63 10.837 2.896 -8.974 1.00 0.00 C ATOM 969 NE2 HIS A 63 11.724 3.597 -8.262 1.00 0.00 N ATOM 0 H HIS A 63 6.151 6.262 -8.158 1.00 0.00 H new ATOM 0 HA HIS A 63 7.292 3.706 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.269 6.061 -8.755 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.728 6.167 -7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.418 5.441 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.074 1.993 -9.518 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.715 3.392 -8.132 1.00 0.00 H new ATOM 977 N GLY A 64 7.095 5.079 -5.117 1.00 0.00 N ATOM 978 CA GLY A 64 7.158 4.725 -3.661 1.00 0.00 C ATOM 979 C GLY A 64 6.072 3.687 -3.355 1.00 0.00 C ATOM 980 O GLY A 64 6.327 2.651 -2.767 1.00 0.00 O ATOM 0 H GLY A 64 6.809 6.037 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.141 4.326 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.011 5.616 -3.050 1.00 0.00 H new ATOM 984 N PHE A 65 4.866 3.951 -3.775 1.00 0.00 N ATOM 985 CA PHE A 65 3.746 2.993 -3.549 1.00 0.00 C ATOM 986 C PHE A 65 4.034 1.728 -4.356 1.00 0.00 C ATOM 987 O PHE A 65 3.682 0.632 -3.974 1.00 0.00 O ATOM 988 CB PHE A 65 2.467 3.646 -4.107 1.00 0.00 C ATOM 989 CG PHE A 65 1.560 4.104 -3.004 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.688 5.390 -2.490 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.578 3.246 -2.521 1.00 0.00 C ATOM 992 CE1 PHE A 65 0.824 5.825 -1.491 1.00 0.00 C ATOM 993 CE2 PHE A 65 -0.288 3.672 -1.515 1.00 0.00 C ATOM 994 CZ PHE A 65 -0.169 4.966 -1.002 1.00 0.00 C ATOM 0 H PHE A 65 4.605 4.802 -4.273 1.00 0.00 H new ATOM 0 HA PHE A 65 3.635 2.751 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.735 4.495 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.940 2.933 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.457 6.049 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.486 2.249 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.918 6.824 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.047 3.005 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.842 5.304 -0.228 1.00 0.00 H new ATOM 1004 N ASP A 66 4.656 1.889 -5.480 1.00 0.00 N ATOM 1005 CA ASP A 66 4.952 0.719 -6.333 1.00 0.00 C ATOM 1006 C ASP A 66 5.747 -0.288 -5.503 1.00 0.00 C ATOM 1007 O ASP A 66 5.566 -1.485 -5.611 1.00 0.00 O ATOM 1008 CB ASP A 66 5.793 1.153 -7.537 1.00 0.00 C ATOM 1009 CG ASP A 66 5.908 -0.004 -8.530 1.00 0.00 C ATOM 1010 OD1 ASP A 66 6.400 -1.050 -8.139 1.00 0.00 O ATOM 1011 OD2 ASP A 66 5.502 0.175 -9.668 1.00 0.00 O ATOM 0 H ASP A 66 4.974 2.786 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 66 4.023 0.274 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.335 2.016 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.785 1.462 -7.207 1.00 0.00 H new ATOM 1016 N ILE A 67 6.621 0.198 -4.656 1.00 0.00 N ATOM 1017 CA ILE A 67 7.421 -0.718 -3.796 1.00 0.00 C ATOM 1018 C ILE A 67 6.490 -1.443 -2.827 1.00 0.00 C ATOM 1019 O ILE A 67 6.313 -2.645 -2.896 1.00 0.00 O ATOM 1020 CB ILE A 67 8.457 0.081 -2.986 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.138 1.135 -3.894 1.00 0.00 C ATOM 1022 CG2 ILE A 67 9.493 -0.897 -2.408 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.564 1.443 -3.411 1.00 0.00 C ATOM 0 H ILE A 67 6.813 1.191 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 67 7.937 -1.437 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 67 7.968 0.609 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.169 0.769 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.547 2.051 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.234 -0.343 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.992 -1.616 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.988 -1.426 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.018 2.186 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.527 1.832 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.160 0.530 -3.430 1.00 0.00 H new ATOM 1035 N LEU A 68 5.908 -0.721 -1.906 1.00 0.00 N ATOM 1036 CA LEU A 68 5.008 -1.373 -0.918 1.00 0.00 C ATOM 1037 C LEU A 68 3.917 -2.167 -1.656 1.00 0.00 C ATOM 1038 O LEU A 68 3.648 -3.310 -1.331 1.00 0.00 O ATOM 1039 CB LEU A 68 4.438 -0.308 0.055 1.00 0.00 C ATOM 1040 CG LEU A 68 3.306 0.543 -0.576 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.925 -0.072 -0.299 1.00 0.00 C ATOM 1042 CD2 LEU A 68 3.340 1.967 0.031 1.00 0.00 C ATOM 0 H LEU A 68 6.018 0.287 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 68 5.562 -2.088 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.057 -0.805 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.244 0.351 0.377 1.00 0.00 H new ATOM 0 HG LEU A 68 3.467 0.575 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.153 0.548 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.882 -1.075 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.760 -0.125 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.546 2.569 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.194 1.906 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.305 2.429 -0.179 1.00 0.00 H new ATOM 1054 N VAL A 69 3.304 -1.595 -2.657 1.00 0.00 N ATOM 1055 CA VAL A 69 2.260 -2.340 -3.413 1.00 0.00 C ATOM 1056 C VAL A 69 2.888 -3.526 -4.159 1.00 0.00 C ATOM 1057 O VAL A 69 2.205 -4.442 -4.572 1.00 0.00 O ATOM 1058 CB VAL A 69 1.599 -1.393 -4.418 1.00 0.00 C ATOM 1059 CG1 VAL A 69 0.600 -2.163 -5.276 1.00 0.00 C ATOM 1060 CG2 VAL A 69 0.871 -0.290 -3.655 1.00 0.00 C ATOM 0 H VAL A 69 3.482 -0.645 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 69 1.514 -2.721 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 69 2.361 -0.957 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.133 -1.484 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.119 -2.955 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.167 -2.601 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.397 0.390 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.110 -0.733 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.585 0.262 -3.044 1.00 0.00 H new ATOM 1070 N GLY A 70 4.179 -3.507 -4.356 1.00 0.00 N ATOM 1071 CA GLY A 70 4.836 -4.619 -5.104 1.00 0.00 C ATOM 1072 C GLY A 70 4.804 -5.913 -4.297 1.00 0.00 C ATOM 1073 O GLY A 70 4.437 -6.954 -4.803 1.00 0.00 O ATOM 0 H GLY A 70 4.807 -2.771 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.331 -4.769 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.869 -4.351 -5.328 1.00 0.00 H new ATOM 1077 N GLN A 71 5.197 -5.877 -3.058 1.00 0.00 N ATOM 1078 CA GLN A 71 5.192 -7.136 -2.262 1.00 0.00 C ATOM 1079 C GLN A 71 3.760 -7.557 -1.927 1.00 0.00 C ATOM 1080 O GLN A 71 3.499 -8.716 -1.674 1.00 0.00 O ATOM 1081 CB GLN A 71 6.005 -6.959 -0.979 1.00 0.00 C ATOM 1082 CG GLN A 71 5.646 -5.637 -0.300 1.00 0.00 C ATOM 1083 CD GLN A 71 6.425 -5.522 1.008 1.00 0.00 C ATOM 1084 OE1 GLN A 71 6.614 -4.438 1.526 1.00 0.00 O ATOM 1085 NE2 GLN A 71 6.894 -6.604 1.569 1.00 0.00 N ATOM 0 H GLN A 71 5.518 -5.044 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 71 5.651 -7.922 -2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.810 -7.789 -0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.070 -6.979 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.886 -4.800 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.574 -5.593 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.736 -7.513 1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.419 -6.540 2.441 1.00 0.00 H new ATOM 1094 N ILE A 72 2.818 -6.653 -1.933 1.00 0.00 N ATOM 1095 CA ILE A 72 1.423 -7.080 -1.627 1.00 0.00 C ATOM 1096 C ILE A 72 1.002 -8.094 -2.688 1.00 0.00 C ATOM 1097 O ILE A 72 0.708 -9.236 -2.398 1.00 0.00 O ATOM 1098 CB ILE A 72 0.464 -5.884 -1.688 1.00 0.00 C ATOM 1099 CG1 ILE A 72 0.747 -4.927 -0.521 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -0.985 -6.385 -1.588 1.00 0.00 C ATOM 1101 CD1 ILE A 72 -0.085 -3.639 -0.662 1.00 0.00 C ATOM 0 H ILE A 72 2.948 -5.661 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 72 1.386 -7.508 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 72 0.610 -5.358 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.511 -5.417 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.808 -4.680 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.667 -5.536 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.194 -7.061 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.123 -6.914 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.130 -2.974 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.171 -3.141 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.146 -3.889 -0.663 1.00 0.00 H new ATOM 1113 N ASP A 73 0.974 -7.672 -3.920 1.00 0.00 N ATOM 1114 CA ASP A 73 0.576 -8.592 -5.012 1.00 0.00 C ATOM 1115 C ASP A 73 1.484 -9.814 -4.986 1.00 0.00 C ATOM 1116 O ASP A 73 1.076 -10.902 -5.308 1.00 0.00 O ATOM 1117 CB ASP A 73 0.717 -7.874 -6.358 1.00 0.00 C ATOM 1118 CG ASP A 73 2.199 -7.633 -6.668 1.00 0.00 C ATOM 1119 OD1 ASP A 73 2.862 -8.577 -7.062 1.00 0.00 O ATOM 1120 OD2 ASP A 73 2.642 -6.508 -6.503 1.00 0.00 O ATOM 0 H ASP A 73 1.211 -6.725 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.460 -8.902 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.264 -8.472 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.183 -6.924 -6.331 1.00 0.00 H new ATOM 1125 N ASP A 74 2.717 -9.665 -4.605 1.00 0.00 N ATOM 1126 CA ASP A 74 3.576 -10.865 -4.586 1.00 0.00 C ATOM 1127 C ASP A 74 2.987 -11.849 -3.586 1.00 0.00 C ATOM 1128 O ASP A 74 3.194 -13.042 -3.678 1.00 0.00 O ATOM 1129 CB ASP A 74 5.006 -10.488 -4.218 1.00 0.00 C ATOM 1130 CG ASP A 74 5.914 -11.710 -4.367 1.00 0.00 C ATOM 1131 OD1 ASP A 74 5.446 -12.714 -4.877 1.00 0.00 O ATOM 1132 OD2 ASP A 74 7.065 -11.619 -3.971 1.00 0.00 O ATOM 0 H ASP A 74 3.154 -8.790 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 74 3.610 -11.326 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.357 -9.681 -4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.043 -10.118 -3.193 1.00 0.00 H new ATOM 1137 N ALA A 75 2.198 -11.370 -2.661 1.00 0.00 N ATOM 1138 CA ALA A 75 1.550 -12.309 -1.717 1.00 0.00 C ATOM 1139 C ALA A 75 0.491 -13.050 -2.529 1.00 0.00 C ATOM 1140 O ALA A 75 0.243 -14.227 -2.352 1.00 0.00 O ATOM 1141 CB ALA A 75 0.894 -11.552 -0.567 1.00 0.00 C ATOM 0 H ALA A 75 1.980 -10.383 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 75 2.277 -12.992 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.424 -12.261 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.650 -10.979 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.138 -10.873 -0.962 1.00 0.00 H new ATOM 1147 N LEU A 76 -0.094 -12.343 -3.463 1.00 0.00 N ATOM 1148 CA LEU A 76 -1.112 -12.940 -4.377 1.00 0.00 C ATOM 1149 C LEU A 76 -0.423 -14.076 -5.121 1.00 0.00 C ATOM 1150 O LEU A 76 -0.971 -15.138 -5.340 1.00 0.00 O ATOM 1151 CB LEU A 76 -1.554 -11.836 -5.362 1.00 0.00 C ATOM 1152 CG LEU A 76 -2.893 -12.181 -6.047 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -3.566 -10.891 -6.541 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -2.657 -13.105 -7.251 1.00 0.00 C ATOM 0 H LEU A 76 0.097 -11.355 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.986 -13.320 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.652 -10.891 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.784 -11.696 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.532 -12.686 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.512 -11.136 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.752 -10.230 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.912 -10.390 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.611 -13.339 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.009 -12.606 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.183 -14.027 -6.915 1.00 0.00 H new ATOM 1166 N LYS A 77 0.801 -13.840 -5.485 1.00 0.00 N ATOM 1167 CA LYS A 77 1.613 -14.850 -6.198 1.00 0.00 C ATOM 1168 C LYS A 77 1.833 -16.060 -5.293 1.00 0.00 C ATOM 1169 O LYS A 77 1.686 -17.204 -5.683 1.00 0.00 O ATOM 1170 CB LYS A 77 2.954 -14.180 -6.513 1.00 0.00 C ATOM 1171 CG LYS A 77 3.636 -14.845 -7.698 1.00 0.00 C ATOM 1172 CD LYS A 77 5.019 -14.183 -7.928 1.00 0.00 C ATOM 1173 CE LYS A 77 6.105 -14.981 -7.198 1.00 0.00 C ATOM 1174 NZ LYS A 77 6.353 -16.259 -7.923 1.00 0.00 N ATOM 0 H LYS A 77 1.285 -12.959 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 77 1.120 -15.193 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.794 -13.123 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.604 -14.233 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.757 -15.912 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.019 -14.745 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.240 -14.142 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.005 -13.155 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.024 -14.398 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.794 -15.186 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.305 -16.610 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.645 -16.964 -7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.283 -16.096 -8.948 1.00 0.00 H new ATOM 1188 N LEU A 78 2.193 -15.791 -4.084 1.00 0.00 N ATOM 1189 CA LEU A 78 2.452 -16.850 -3.099 1.00 0.00 C ATOM 1190 C LEU A 78 1.157 -17.629 -2.826 1.00 0.00 C ATOM 1191 O LEU A 78 1.107 -18.831 -2.970 1.00 0.00 O ATOM 1192 CB LEU A 78 2.937 -16.129 -1.842 1.00 0.00 C ATOM 1193 CG LEU A 78 4.470 -16.163 -1.744 1.00 0.00 C ATOM 1194 CD1 LEU A 78 5.071 -15.280 -2.840 1.00 0.00 C ATOM 1195 CD2 LEU A 78 4.896 -15.636 -0.377 1.00 0.00 C ATOM 0 H LEU A 78 2.323 -14.844 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 78 3.191 -17.572 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.593 -15.095 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.502 -16.598 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 78 4.823 -17.187 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.159 -15.304 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.761 -15.651 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.722 -14.255 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.983 -15.658 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.544 -14.611 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.465 -16.262 0.405 1.00 0.00 H new ATOM 1207 N ALA A 79 0.113 -16.953 -2.434 1.00 0.00 N ATOM 1208 CA ALA A 79 -1.173 -17.656 -2.153 1.00 0.00 C ATOM 1209 C ALA A 79 -1.480 -18.644 -3.284 1.00 0.00 C ATOM 1210 O ALA A 79 -1.973 -19.729 -3.047 1.00 0.00 O ATOM 1211 CB ALA A 79 -2.302 -16.629 -2.049 1.00 0.00 C ATOM 0 H ALA A 79 0.093 -15.943 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.089 -18.201 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.242 -17.141 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.085 -15.931 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.384 -16.082 -2.988 1.00 0.00 H new ATOM 1217 N ASN A 80 -1.174 -18.297 -4.507 1.00 0.00 N ATOM 1218 CA ASN A 80 -1.437 -19.252 -5.621 1.00 0.00 C ATOM 1219 C ASN A 80 -0.549 -20.478 -5.405 1.00 0.00 C ATOM 1220 O ASN A 80 -0.879 -21.580 -5.797 1.00 0.00 O ATOM 1221 CB ASN A 80 -1.118 -18.600 -6.974 1.00 0.00 C ATOM 1222 CG ASN A 80 -1.548 -17.131 -6.964 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -0.869 -16.291 -7.519 1.00 0.00 O ATOM 1224 ND2 ASN A 80 -2.654 -16.776 -6.370 1.00 0.00 N ATOM 0 H ASN A 80 -0.759 -17.406 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.488 -19.539 -5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.050 -18.673 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.633 -19.132 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.944 -15.798 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.229 -17.476 -5.902 1.00 0.00 H new ATOM 1231 N GLU A 81 0.570 -20.289 -4.757 1.00 0.00 N ATOM 1232 CA GLU A 81 1.485 -21.435 -4.478 1.00 0.00 C ATOM 1233 C GLU A 81 1.037 -22.117 -3.177 1.00 0.00 C ATOM 1234 O GLU A 81 1.657 -23.048 -2.702 1.00 0.00 O ATOM 1235 CB GLU A 81 2.920 -20.913 -4.323 1.00 0.00 C ATOM 1236 CG GLU A 81 3.897 -22.091 -4.194 1.00 0.00 C ATOM 1237 CD GLU A 81 5.320 -21.615 -4.499 1.00 0.00 C ATOM 1238 OE1 GLU A 81 5.940 -21.056 -3.609 1.00 0.00 O ATOM 1239 OE2 GLU A 81 5.766 -21.820 -5.616 1.00 0.00 O ATOM 0 H GLU A 81 0.891 -19.386 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 81 1.452 -22.151 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.188 -20.300 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.990 -20.274 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.850 -22.507 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.614 -22.888 -4.882 1.00 0.00 H new ATOM 1246 N GLY A 82 -0.061 -21.677 -2.614 1.00 0.00 N ATOM 1247 CA GLY A 82 -0.581 -22.307 -1.360 1.00 0.00 C ATOM 1248 C GLY A 82 0.018 -21.649 -0.108 1.00 0.00 C ATOM 1249 O GLY A 82 0.331 -22.320 0.857 1.00 0.00 O ATOM 0 H GLY A 82 -0.623 -20.904 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.667 -22.222 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.345 -23.371 -1.361 1.00 0.00 H new ATOM 1253 N LYS A 83 0.164 -20.346 -0.099 1.00 0.00 N ATOM 1254 CA LYS A 83 0.725 -19.653 1.108 1.00 0.00 C ATOM 1255 C LYS A 83 -0.414 -19.031 1.911 1.00 0.00 C ATOM 1256 O LYS A 83 -0.530 -17.829 2.019 1.00 0.00 O ATOM 1257 CB LYS A 83 1.670 -18.543 0.654 1.00 0.00 C ATOM 1258 CG LYS A 83 2.837 -19.107 -0.183 1.00 0.00 C ATOM 1259 CD LYS A 83 3.417 -20.390 0.437 1.00 0.00 C ATOM 1260 CE LYS A 83 4.786 -20.683 -0.183 1.00 0.00 C ATOM 1261 NZ LYS A 83 5.763 -19.647 0.259 1.00 0.00 N ATOM 0 H LYS A 83 -0.081 -19.731 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 83 1.262 -20.374 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.118 -17.811 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.064 -18.019 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.490 -19.317 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.622 -18.356 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.512 -20.274 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.741 -21.228 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.129 -21.673 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.711 -20.688 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.723 -20.048 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.720 -18.832 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.528 -19.338 1.224 1.00 0.00 H new ATOM 1275 N VAL A 84 -1.248 -19.848 2.474 1.00 0.00 N ATOM 1276 CA VAL A 84 -2.391 -19.327 3.282 1.00 0.00 C ATOM 1277 C VAL A 84 -1.879 -18.545 4.501 1.00 0.00 C ATOM 1278 O VAL A 84 -2.197 -17.387 4.686 1.00 0.00 O ATOM 1279 CB VAL A 84 -3.241 -20.505 3.765 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -4.346 -19.997 4.693 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -3.873 -21.205 2.562 1.00 0.00 C ATOM 0 H VAL A 84 -1.192 -20.865 2.413 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.986 -18.659 2.659 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.607 -21.208 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.949 -20.838 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.898 -19.498 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.979 -19.292 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.478 -22.044 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.504 -20.500 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.088 -21.571 1.900 1.00 0.00 H new ATOM 1291 N LYS A 85 -1.108 -19.179 5.345 1.00 0.00 N ATOM 1292 CA LYS A 85 -0.593 -18.495 6.566 1.00 0.00 C ATOM 1293 C LYS A 85 0.462 -17.455 6.172 1.00 0.00 C ATOM 1294 O LYS A 85 0.450 -16.330 6.629 1.00 0.00 O ATOM 1295 CB LYS A 85 0.021 -19.552 7.518 1.00 0.00 C ATOM 1296 CG LYS A 85 0.347 -20.849 6.754 1.00 0.00 C ATOM 1297 CD LYS A 85 1.367 -21.680 7.544 1.00 0.00 C ATOM 1298 CE LYS A 85 0.837 -21.968 8.958 1.00 0.00 C ATOM 1299 NZ LYS A 85 1.199 -20.840 9.862 1.00 0.00 N ATOM 0 H LYS A 85 -0.811 -20.149 5.239 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.410 -17.984 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.928 -19.155 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.675 -19.767 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.563 -21.428 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.746 -20.610 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.564 -22.617 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.314 -21.144 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.245 -22.096 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.260 -22.900 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.566 -21.218 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.928 -20.253 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.356 -20.261 10.050 1.00 0.00 H new ATOM 1313 N GLU A 86 1.373 -17.842 5.341 1.00 0.00 N ATOM 1314 CA GLU A 86 2.452 -16.923 4.904 1.00 0.00 C ATOM 1315 C GLU A 86 1.842 -15.688 4.222 1.00 0.00 C ATOM 1316 O GLU A 86 2.209 -14.567 4.517 1.00 0.00 O ATOM 1317 CB GLU A 86 3.353 -17.708 3.933 1.00 0.00 C ATOM 1318 CG GLU A 86 4.639 -18.158 4.640 1.00 0.00 C ATOM 1319 CD GLU A 86 5.587 -16.968 4.791 1.00 0.00 C ATOM 1320 OE1 GLU A 86 6.333 -16.709 3.861 1.00 0.00 O ATOM 1321 OE2 GLU A 86 5.552 -16.336 5.834 1.00 0.00 O ATOM 0 H GLU A 86 1.420 -18.777 4.935 1.00 0.00 H new ATOM 0 HA GLU A 86 3.038 -16.569 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.817 -18.577 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.602 -17.085 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.401 -18.572 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.122 -18.950 4.068 1.00 0.00 H new ATOM 1328 N ALA A 87 0.914 -15.875 3.327 1.00 0.00 N ATOM 1329 CA ALA A 87 0.296 -14.694 2.657 1.00 0.00 C ATOM 1330 C ALA A 87 -0.430 -13.857 3.711 1.00 0.00 C ATOM 1331 O ALA A 87 -0.403 -12.642 3.680 1.00 0.00 O ATOM 1332 CB ALA A 87 -0.704 -15.158 1.595 1.00 0.00 C ATOM 0 H ALA A 87 0.558 -16.784 3.031 1.00 0.00 H new ATOM 0 HA ALA A 87 1.071 -14.099 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.150 -14.289 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.188 -15.764 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.486 -15.752 2.067 1.00 0.00 H new ATOM 1338 N GLN A 88 -1.065 -14.498 4.655 1.00 0.00 N ATOM 1339 CA GLN A 88 -1.776 -13.735 5.722 1.00 0.00 C ATOM 1340 C GLN A 88 -0.736 -12.961 6.540 1.00 0.00 C ATOM 1341 O GLN A 88 -0.933 -11.815 6.896 1.00 0.00 O ATOM 1342 CB GLN A 88 -2.545 -14.714 6.630 1.00 0.00 C ATOM 1343 CG GLN A 88 -3.957 -14.918 6.078 1.00 0.00 C ATOM 1344 CD GLN A 88 -4.682 -15.993 6.885 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.260 -15.670 8.005 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -4.724 -17.141 6.489 1.00 0.00 N flip ATOM 0 H GLN A 88 -1.122 -15.513 4.734 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.488 -13.038 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.021 -15.668 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.593 -14.323 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.513 -13.981 6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.908 -15.210 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.271 -17.395 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.212 -17.851 7.035 1.00 0.00 H new ATOM 1355 N ALA A 89 0.378 -13.575 6.828 1.00 0.00 N ATOM 1356 CA ALA A 89 1.433 -12.866 7.603 1.00 0.00 C ATOM 1357 C ALA A 89 1.866 -11.641 6.801 1.00 0.00 C ATOM 1358 O ALA A 89 2.035 -10.552 7.326 1.00 0.00 O ATOM 1359 CB ALA A 89 2.631 -13.796 7.804 1.00 0.00 C ATOM 0 H ALA A 89 0.603 -14.534 6.561 1.00 0.00 H new ATOM 0 HA ALA A 89 1.051 -12.565 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.403 -13.277 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.314 -14.684 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.030 -14.090 6.833 1.00 0.00 H new ATOM 1365 N ALA A 90 2.018 -11.805 5.518 1.00 0.00 N ATOM 1366 CA ALA A 90 2.414 -10.650 4.674 1.00 0.00 C ATOM 1367 C ALA A 90 1.333 -9.582 4.807 1.00 0.00 C ATOM 1368 O ALA A 90 1.556 -8.414 4.571 1.00 0.00 O ATOM 1369 CB ALA A 90 2.527 -11.090 3.212 1.00 0.00 C ATOM 0 H ALA A 90 1.885 -12.686 5.021 1.00 0.00 H new ATOM 0 HA ALA A 90 3.380 -10.259 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.818 -10.238 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.279 -11.874 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.564 -11.471 2.871 1.00 0.00 H new ATOM 1375 N ALA A 91 0.156 -9.980 5.200 1.00 0.00 N ATOM 1376 CA ALA A 91 -0.945 -8.999 5.366 1.00 0.00 C ATOM 1377 C ALA A 91 -0.593 -8.027 6.501 1.00 0.00 C ATOM 1378 O ALA A 91 -0.673 -6.824 6.347 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.244 -9.753 5.687 1.00 0.00 C ATOM 0 H ALA A 91 -0.089 -10.947 5.414 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.083 -8.429 4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.058 -9.039 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.480 -10.435 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.117 -10.321 6.609 1.00 0.00 H new ATOM 1385 N GLU A 92 -0.204 -8.538 7.641 1.00 0.00 N ATOM 1386 CA GLU A 92 0.149 -7.637 8.776 1.00 0.00 C ATOM 1387 C GLU A 92 1.336 -6.758 8.368 1.00 0.00 C ATOM 1388 O GLU A 92 1.643 -5.775 9.012 1.00 0.00 O ATOM 1389 CB GLU A 92 0.501 -8.481 10.018 1.00 0.00 C ATOM 1390 CG GLU A 92 -0.765 -8.728 10.861 1.00 0.00 C ATOM 1391 CD GLU A 92 -0.594 -9.992 11.709 1.00 0.00 C ATOM 1392 OE1 GLU A 92 0.127 -9.930 12.691 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -1.187 -10.999 11.362 1.00 0.00 O ATOM 0 H GLU A 92 -0.116 -9.536 7.833 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.699 -6.998 9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.935 -9.432 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.252 -7.967 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.955 -7.870 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.631 -8.833 10.208 1.00 0.00 H new ATOM 1400 N GLN A 93 1.986 -7.085 7.286 1.00 0.00 N ATOM 1401 CA GLN A 93 3.123 -6.248 6.826 1.00 0.00 C ATOM 1402 C GLN A 93 2.527 -4.979 6.213 1.00 0.00 C ATOM 1403 O GLN A 93 3.013 -3.888 6.423 1.00 0.00 O ATOM 1404 CB GLN A 93 3.972 -7.082 5.819 1.00 0.00 C ATOM 1405 CG GLN A 93 3.794 -6.641 4.352 1.00 0.00 C ATOM 1406 CD GLN A 93 4.548 -5.337 4.105 1.00 0.00 C ATOM 1407 OE1 GLN A 93 4.904 -4.605 5.119 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 4.809 -4.975 2.977 1.00 0.00 N flip ATOM 0 H GLN A 93 1.778 -7.895 6.703 1.00 0.00 H new ATOM 0 HA GLN A 93 3.793 -5.953 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.025 -7.001 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.700 -8.133 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.164 -7.417 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.735 -6.507 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.531 -5.548 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.307 -4.098 2.825 1.00 0.00 H new ATOM 1417 N LEU A 94 1.454 -5.116 5.491 1.00 0.00 N ATOM 1418 CA LEU A 94 0.802 -3.920 4.890 1.00 0.00 C ATOM 1419 C LEU A 94 0.223 -3.048 6.010 1.00 0.00 C ATOM 1420 O LEU A 94 0.323 -1.837 5.988 1.00 0.00 O ATOM 1421 CB LEU A 94 -0.320 -4.378 3.952 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.976 -3.171 3.259 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.045 -2.445 2.365 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -2.152 -3.668 2.404 1.00 0.00 C ATOM 0 H LEU A 94 0.998 -6.006 5.290 1.00 0.00 H new ATOM 0 HA LEU A 94 1.531 -3.341 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.081 -5.060 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.070 -4.931 4.517 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.333 -2.471 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.435 -1.594 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.878 -2.094 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.416 -3.132 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.625 -2.820 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.786 -4.369 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.881 -4.167 3.043 1.00 0.00 H new ATOM 1436 N LYS A 95 -0.379 -3.657 6.995 1.00 0.00 N ATOM 1437 CA LYS A 95 -0.958 -2.866 8.120 1.00 0.00 C ATOM 1438 C LYS A 95 0.145 -2.021 8.761 1.00 0.00 C ATOM 1439 O LYS A 95 0.099 -0.804 8.765 1.00 0.00 O ATOM 1440 CB LYS A 95 -1.538 -3.819 9.176 1.00 0.00 C ATOM 1441 CG LYS A 95 -2.781 -4.537 8.613 1.00 0.00 C ATOM 1442 CD LYS A 95 -3.110 -5.825 9.442 1.00 0.00 C ATOM 1443 CE LYS A 95 -4.519 -5.738 10.059 1.00 0.00 C ATOM 1444 NZ LYS A 95 -4.641 -6.733 11.164 1.00 0.00 N ATOM 0 H LYS A 95 -0.495 -4.668 7.070 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.748 -2.219 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.786 -4.552 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.805 -3.261 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.635 -3.860 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.609 -4.805 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.044 -6.703 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.370 -5.952 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.700 -4.733 10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.274 -5.931 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.592 -6.674 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.486 -7.690 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.930 -6.529 11.895 1.00 0.00 H new ATOM 1458 N THR A 96 1.132 -2.665 9.320 1.00 0.00 N ATOM 1459 CA THR A 96 2.236 -1.921 9.983 1.00 0.00 C ATOM 1460 C THR A 96 3.028 -1.106 8.953 1.00 0.00 C ATOM 1461 O THR A 96 3.639 -0.111 9.292 1.00 0.00 O ATOM 1462 CB THR A 96 3.163 -2.916 10.699 1.00 0.00 C ATOM 1463 OG1 THR A 96 2.387 -3.986 11.219 1.00 0.00 O ATOM 1464 CG2 THR A 96 3.896 -2.215 11.849 1.00 0.00 C ATOM 0 H THR A 96 1.220 -3.681 9.345 1.00 0.00 H new ATOM 0 HA THR A 96 1.813 -1.231 10.713 1.00 0.00 H new ATOM 0 HB THR A 96 3.896 -3.299 9.989 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.266 -4.669 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.551 -2.927 12.351 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.491 -1.392 11.453 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.168 -1.827 12.561 1.00 0.00 H new ATOM 1472 N THR A 97 3.035 -1.503 7.701 1.00 0.00 N ATOM 1473 CA THR A 97 3.804 -0.710 6.692 1.00 0.00 C ATOM 1474 C THR A 97 3.416 0.762 6.841 1.00 0.00 C ATOM 1475 O THR A 97 4.239 1.611 7.082 1.00 0.00 O ATOM 1476 CB THR A 97 3.479 -1.179 5.263 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.129 -2.407 5.015 1.00 0.00 O ATOM 1478 CG2 THR A 97 3.970 -0.147 4.238 1.00 0.00 C ATOM 0 H THR A 97 2.551 -2.326 7.341 1.00 0.00 H new ATOM 0 HA THR A 97 4.871 -0.849 6.863 1.00 0.00 H new ATOM 0 HB THR A 97 2.399 -1.295 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.977 -3.015 5.768 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.733 -0.493 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.477 0.808 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.049 -0.023 4.335 1.00 0.00 H new ATOM 1486 N ILE A 98 2.156 1.054 6.694 1.00 0.00 N ATOM 1487 CA ILE A 98 1.671 2.454 6.829 1.00 0.00 C ATOM 1488 C ILE A 98 2.043 3.006 8.216 1.00 0.00 C ATOM 1489 O ILE A 98 2.678 4.033 8.328 1.00 0.00 O ATOM 1490 CB ILE A 98 0.137 2.432 6.615 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -0.197 2.370 5.082 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -0.535 3.656 7.261 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -0.805 1.006 4.723 1.00 0.00 C ATOM 0 H ILE A 98 1.429 0.370 6.482 1.00 0.00 H new ATOM 0 HA ILE A 98 2.135 3.108 6.091 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.258 1.539 7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.895 3.166 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.709 2.537 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.611 3.611 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.335 3.658 8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.136 4.567 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.031 0.978 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.094 0.216 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.722 0.855 5.293 1.00 0.00 H new ATOM 1505 N ARG A 99 1.651 2.348 9.269 1.00 0.00 N ATOM 1506 CA ARG A 99 1.973 2.861 10.629 1.00 0.00 C ATOM 1507 C ARG A 99 3.496 3.013 10.812 1.00 0.00 C ATOM 1508 O ARG A 99 3.971 4.038 11.258 1.00 0.00 O ATOM 1509 CB ARG A 99 1.412 1.853 11.645 1.00 0.00 C ATOM 1510 CG ARG A 99 0.956 2.547 12.947 1.00 0.00 C ATOM 1511 CD ARG A 99 2.108 2.621 13.962 1.00 0.00 C ATOM 1512 NE ARG A 99 3.139 3.600 13.489 1.00 0.00 N ATOM 1513 CZ ARG A 99 3.151 4.836 13.930 1.00 0.00 C ATOM 1514 NH1 ARG A 99 2.234 5.261 14.758 1.00 0.00 N ATOM 1515 NH2 ARG A 99 4.086 5.655 13.530 1.00 0.00 N ATOM 0 H ARG A 99 1.121 1.477 9.247 1.00 0.00 H new ATOM 0 HA ARG A 99 1.529 3.846 10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.570 1.321 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.173 1.108 11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.599 3.552 12.722 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.118 2.001 13.381 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.727 2.923 14.937 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.559 1.636 14.087 1.00 0.00 H new ATOM 0 HE ARG A 99 3.843 3.301 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.496 4.629 15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.256 6.224 15.093 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.802 5.333 12.878 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.101 6.617 13.869 1.00 0.00 H new ATOM 1529 N ALA A 100 4.260 2.003 10.486 1.00 0.00 N ATOM 1530 CA ALA A 100 5.746 2.100 10.662 1.00 0.00 C ATOM 1531 C ALA A 100 6.287 3.249 9.812 1.00 0.00 C ATOM 1532 O ALA A 100 7.202 3.951 10.193 1.00 0.00 O ATOM 1533 CB ALA A 100 6.406 0.792 10.220 1.00 0.00 C ATOM 0 H ALA A 100 3.924 1.118 10.107 1.00 0.00 H new ATOM 0 HA ALA A 100 5.971 2.283 11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.486 0.867 10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.024 -0.031 10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.179 0.606 9.170 1.00 0.00 H new ATOM 1539 N TYR A 101 5.710 3.440 8.667 1.00 0.00 N ATOM 1540 CA TYR A 101 6.146 4.533 7.764 1.00 0.00 C ATOM 1541 C TYR A 101 5.745 5.859 8.406 1.00 0.00 C ATOM 1542 O TYR A 101 6.023 6.909 7.874 1.00 0.00 O ATOM 1543 CB TYR A 101 5.411 4.379 6.413 1.00 0.00 C ATOM 1544 CG TYR A 101 6.166 3.476 5.464 1.00 0.00 C ATOM 1545 CD1 TYR A 101 6.914 2.402 5.955 1.00 0.00 C ATOM 1546 CD2 TYR A 101 6.110 3.719 4.077 1.00 0.00 C ATOM 1547 CE1 TYR A 101 7.608 1.569 5.069 1.00 0.00 C ATOM 1548 CE2 TYR A 101 6.805 2.884 3.194 1.00 0.00 C ATOM 1549 CZ TYR A 101 7.554 1.810 3.690 1.00 0.00 C ATOM 1550 OH TYR A 101 8.238 0.988 2.820 1.00 0.00 O ATOM 0 H TYR A 101 4.940 2.874 8.311 1.00 0.00 H new ATOM 0 HA TYR A 101 7.223 4.500 7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.414 3.973 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.281 5.360 5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.957 2.215 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.532 4.548 3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.186 0.740 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.763 3.068 2.131 1.00 0.00 H new ATOM 0 HH TYR A 101 8.094 1.293 1.900 1.00 0.00 H new ATOM 1560 N ASN A 102 5.038 5.781 9.515 1.00 0.00 N ATOM 1561 CA ASN A 102 4.510 6.991 10.228 1.00 0.00 C ATOM 1562 C ASN A 102 3.138 7.235 9.645 1.00 0.00 C ATOM 1563 O ASN A 102 2.926 8.203 8.941 1.00 0.00 O ATOM 1564 CB ASN A 102 5.365 8.248 10.008 1.00 0.00 C ATOM 1565 CG ASN A 102 4.845 9.360 10.917 1.00 0.00 C ATOM 1566 OD1 ASN A 102 5.425 9.650 11.946 1.00 0.00 O ATOM 1567 ND2 ASN A 102 3.758 10.001 10.571 1.00 0.00 N ATOM 0 H ASN A 102 4.799 4.898 9.967 1.00 0.00 H new ATOM 0 HA ASN A 102 4.510 6.806 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.411 8.037 10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.317 8.560 8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.395 10.746 11.165 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.274 9.755 9.707 1.00 0.00 H new ATOM 1574 N GLN A 103 2.206 6.338 9.875 1.00 0.00 N ATOM 1575 CA GLN A 103 0.877 6.495 9.266 1.00 0.00 C ATOM 1576 C GLN A 103 1.105 6.821 7.792 1.00 0.00 C ATOM 1577 O GLN A 103 0.649 7.815 7.262 1.00 0.00 O ATOM 1578 CB GLN A 103 0.138 7.607 9.993 1.00 0.00 C ATOM 1579 CG GLN A 103 -0.720 7.008 11.113 1.00 0.00 C ATOM 1580 CD GLN A 103 -1.929 6.303 10.499 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -1.936 6.058 9.216 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -2.875 5.975 11.187 1.00 0.00 N flip ATOM 0 H GLN A 103 2.323 5.510 10.460 1.00 0.00 H new ATOM 0 HA GLN A 103 0.268 5.595 9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.850 8.320 10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.492 8.157 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.132 6.302 11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.049 7.793 11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.868 6.167 12.189 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.676 5.508 10.763 1.00 0.00 H new ATOM 1591 N LYS A 104 1.848 5.950 7.167 1.00 0.00 N ATOM 1592 CA LYS A 104 2.206 6.067 5.749 1.00 0.00 C ATOM 1593 C LYS A 104 3.044 7.334 5.556 1.00 0.00 C ATOM 1594 O LYS A 104 4.231 7.303 5.774 1.00 0.00 O ATOM 1595 CB LYS A 104 0.912 5.993 4.936 1.00 0.00 C ATOM 1596 CG LYS A 104 1.095 6.464 3.491 1.00 0.00 C ATOM 1597 CD LYS A 104 2.359 5.816 2.894 1.00 0.00 C ATOM 1598 CE LYS A 104 2.270 5.805 1.366 1.00 0.00 C ATOM 1599 NZ LYS A 104 3.427 5.052 0.809 1.00 0.00 N ATOM 0 H LYS A 104 2.235 5.122 7.619 1.00 0.00 H new ATOM 0 HA LYS A 104 2.837 5.254 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.546 4.966 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.149 6.603 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.221 6.196 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.181 7.550 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.244 6.367 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.467 4.798 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.335 5.344 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.268 6.826 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.197 4.721 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.260 5.674 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.634 4.234 1.417 1.00 0.00 H new ATOM 1613 N TYR A 105 2.489 8.445 5.192 1.00 0.00 N ATOM 1614 CA TYR A 105 3.347 9.670 5.038 1.00 0.00 C ATOM 1615 C TYR A 105 2.559 10.911 5.446 1.00 0.00 C ATOM 1616 O TYR A 105 2.889 12.023 5.081 1.00 0.00 O ATOM 1617 CB TYR A 105 3.830 9.829 3.590 1.00 0.00 C ATOM 1618 CG TYR A 105 4.785 8.714 3.147 1.00 0.00 C ATOM 1619 CD1 TYR A 105 5.830 8.236 3.972 1.00 0.00 C ATOM 1620 CD2 TYR A 105 4.630 8.171 1.866 1.00 0.00 C ATOM 1621 CE1 TYR A 105 6.686 7.231 3.509 1.00 0.00 C ATOM 1622 CE2 TYR A 105 5.488 7.168 1.412 1.00 0.00 C ATOM 1623 CZ TYR A 105 6.516 6.697 2.232 1.00 0.00 C ATOM 1624 OH TYR A 105 7.364 5.706 1.781 1.00 0.00 O ATOM 0 H TYR A 105 1.496 8.572 4.994 1.00 0.00 H new ATOM 0 HA TYR A 105 4.217 9.555 5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 105 2.966 9.845 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.331 10.791 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 105 5.967 8.648 4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 105 3.840 8.531 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 105 7.481 6.867 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 105 5.357 6.755 0.423 1.00 0.00 H new ATOM 0 HH TYR A 105 7.190 4.877 2.274 1.00 0.00 H new ATOM 1634 N GLY A 106 1.529 10.726 6.207 1.00 0.00 N ATOM 1635 CA GLY A 106 0.707 11.885 6.662 1.00 0.00 C ATOM 1636 C GLY A 106 1.401 12.579 7.835 1.00 0.00 C ATOM 1637 O GLY A 106 2.005 11.885 8.637 1.00 0.00 O ATOM 1638 OXT GLY A 106 1.316 13.794 7.912 1.00 0.00 O ATOM 0 H GLY A 106 1.212 9.816 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.567 12.589 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.284 11.545 6.963 1.00 0.00 H new TER 1642 GLY A 106