USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 806 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 88 HIS :FLIP no HD1:sc= -2.43 F(o=-4.7!,f=-3.4) USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.964 F(o=-7.3!,f=-3.4) USER MOD Set 2.1: A 29 MET CE :methyl 148:sc= -0.948 (180deg=-3.56!) USER MOD Set 2.2: A 79 MET CE :methyl -176:sc= -6.46! (180deg=-6.46!) USER MOD Set 3.1: A 23 HIS : no HE2:sc= -0.647 X(o=-4.5,f=-5) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -3.83 K(o=-4.5,f=-5.8) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.133 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.7!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.845 F(o=-2.3,f=-0.85) USER MOD Single : A 15 MET CE :methyl 180:sc= -8.22! (180deg=-8.22!) USER MOD Single : A 20 MET CE :methyl -141:sc= -13.4! (180deg=-20.3!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -130:sc=-0.00457 (180deg=-0.0695) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0.171) USER MOD Single : A 31 ASN : amide:sc= -0.0604 K(o=-0.06,f=-2.5!) USER MOD Single : A 36 SER OG : rot 29:sc= 0.128 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -152:sc= -1.24 (180deg=-1.95!) USER MOD Single : A 54 GLN : amide:sc= -0.0517 K(o=-0.052,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -165:sc= -6.37! (180deg=-6.98!) USER MOD Single : A 68 MET CE :methyl -149:sc= -0.121 (180deg=-0.289) USER MOD Single : A 69 MET CE :methyl -116:sc= -0.551 (180deg=-4.05!) USER MOD Single : A 70 MET CE :methyl -120:sc= -5.01! (180deg=-10.7!) USER MOD Single : A 72 ASN : amide:sc= -0.561 K(o=-0.56,f=-4.3!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -3.04! C(o=-3!,f=-3.3!) USER MOD Single : A 84 MET CE :methyl -116:sc= -0.128 (180deg=-1.31) USER MOD Single : A 85 SER OG : rot -38:sc= 0.138 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 1.12 K(o=1.1,f=-0.11) USER MOD Single : A 97 MET CE :methyl -155:sc= -0.139 (180deg=-0.569) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.32) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.198 -2.934 8.766 1.00 0.00 N ATOM 2 CA PRO A 1 4.940 -3.816 7.820 1.00 0.00 C ATOM 3 C PRO A 1 6.032 -3.056 7.042 1.00 0.00 C ATOM 4 O PRO A 1 5.815 -2.536 5.944 1.00 0.00 O ATOM 5 CB PRO A 1 3.968 -4.540 6.886 1.00 0.00 C ATOM 6 CG PRO A 1 2.723 -3.647 6.877 1.00 0.00 C ATOM 7 CD PRO A 1 2.904 -2.688 8.049 1.00 0.00 C ATOM 0 H2 PRO A 1 4.701 -2.065 8.947 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.050 -3.387 9.668 1.00 0.00 H new ATOM 0 HA PRO A 1 5.462 -4.568 8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.385 -4.652 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.738 -5.542 7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.635 -3.105 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.814 -4.238 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.877 -1.660 7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.073 -2.802 8.746 1.00 0.00 H new ATOM 15 N TYR A 2 7.243 -3.042 7.613 1.00 0.00 N ATOM 16 CA TYR A 2 8.402 -2.378 7.038 1.00 0.00 C ATOM 17 C TYR A 2 9.359 -3.357 6.368 1.00 0.00 C ATOM 18 O TYR A 2 10.520 -3.050 6.102 1.00 0.00 O ATOM 19 CB TYR A 2 9.073 -1.556 8.151 1.00 0.00 C ATOM 20 CG TYR A 2 10.006 -2.361 9.032 1.00 0.00 C ATOM 21 CD1 TYR A 2 9.491 -3.156 10.073 1.00 0.00 C ATOM 22 CD2 TYR A 2 11.391 -2.370 8.777 1.00 0.00 C ATOM 23 CE1 TYR A 2 10.366 -3.933 10.865 1.00 0.00 C ATOM 24 CE2 TYR A 2 12.262 -3.164 9.548 1.00 0.00 C ATOM 25 CZ TYR A 2 11.748 -3.947 10.597 1.00 0.00 C ATOM 26 OH TYR A 2 12.585 -4.660 11.389 1.00 0.00 O ATOM 0 H TYR A 2 7.440 -3.502 8.502 1.00 0.00 H new ATOM 0 HA TYR A 2 8.086 -1.711 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 2 9.633 -0.738 7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 2 8.299 -1.106 8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 2 8.429 -3.172 10.266 1.00 0.00 H new ATOM 0 HD2 TYR A 2 11.790 -1.760 7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.972 -4.520 11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 2 13.321 -3.172 9.334 1.00 0.00 H new ATOM 0 HH TYR A 2 13.505 -4.563 11.064 1.00 0.00 H new ATOM 36 N GLY A 3 8.878 -4.559 6.054 1.00 0.00 N ATOM 37 CA GLY A 3 9.716 -5.611 5.538 1.00 0.00 C ATOM 38 C GLY A 3 10.717 -6.103 6.567 1.00 0.00 C ATOM 39 O GLY A 3 10.865 -5.554 7.653 1.00 0.00 O ATOM 0 H GLY A 3 7.897 -4.819 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.092 -6.444 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.249 -5.250 4.658 1.00 0.00 H new ATOM 43 N ARG A 4 11.402 -7.197 6.236 1.00 0.00 N ATOM 44 CA ARG A 4 12.415 -7.767 7.107 1.00 0.00 C ATOM 45 C ARG A 4 13.638 -8.201 6.327 1.00 0.00 C ATOM 46 O ARG A 4 14.233 -9.240 6.614 1.00 0.00 O ATOM 47 CB ARG A 4 11.805 -8.931 7.913 1.00 0.00 C ATOM 48 CG ARG A 4 12.452 -9.000 9.302 1.00 0.00 C ATOM 49 CD ARG A 4 12.326 -10.410 9.893 1.00 0.00 C ATOM 50 NE ARG A 4 13.578 -10.807 10.559 1.00 0.00 N ATOM 51 CZ ARG A 4 14.690 -11.191 9.947 1.00 0.00 C ATOM 52 NH1 ARG A 4 14.753 -11.269 8.650 1.00 0.00 N ATOM 53 NH2 ARG A 4 15.758 -11.491 10.631 1.00 0.00 N ATOM 0 H ARG A 4 11.268 -7.706 5.362 1.00 0.00 H new ATOM 0 HA ARG A 4 12.752 -7.001 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.728 -8.792 8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.959 -9.871 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.504 -8.723 9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.976 -8.279 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.503 -10.439 10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.087 -11.121 9.103 1.00 0.00 H new ATOM 0 HE ARG A 4 13.591 -10.785 11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 4 13.938 -11.033 8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.618 -11.567 8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 4 15.745 -11.432 11.649 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.607 -11.785 10.148 1.00 0.00 H new ATOM 67 N GLY A 5 13.957 -7.484 5.256 1.00 0.00 N ATOM 68 CA GLY A 5 15.063 -7.825 4.395 1.00 0.00 C ATOM 69 C GLY A 5 14.873 -7.186 3.051 1.00 0.00 C ATOM 70 O GLY A 5 14.506 -6.009 2.981 1.00 0.00 O ATOM 0 H GLY A 5 13.449 -6.648 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 5 16.000 -7.488 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.132 -8.907 4.287 1.00 0.00 H new ATOM 74 N ARG A 6 15.099 -7.968 1.990 1.00 0.00 N ATOM 75 CA ARG A 6 14.933 -7.519 0.622 1.00 0.00 C ATOM 76 C ARG A 6 15.250 -8.642 -0.344 1.00 0.00 C ATOM 77 O ARG A 6 16.041 -9.522 -0.023 1.00 0.00 O ATOM 78 CB ARG A 6 15.908 -6.365 0.321 1.00 0.00 C ATOM 79 CG ARG A 6 15.342 -5.442 -0.759 1.00 0.00 C ATOM 80 CD ARG A 6 14.710 -4.193 -0.144 1.00 0.00 C ATOM 81 NE ARG A 6 14.589 -3.116 -1.142 1.00 0.00 N ATOM 82 CZ ARG A 6 14.273 -1.857 -0.895 1.00 0.00 C ATOM 83 NH1 ARG A 6 14.002 -1.473 0.324 1.00 0.00 N ATOM 84 NH2 ARG A 6 14.176 -0.984 -1.860 1.00 0.00 N ATOM 0 H ARG A 6 15.405 -8.938 2.068 1.00 0.00 H new ATOM 0 HA ARG A 6 13.900 -7.193 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.095 -5.795 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.866 -6.769 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.137 -5.150 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.596 -5.979 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.725 -4.438 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.316 -3.850 0.695 1.00 0.00 H new ATOM 0 HE ARG A 6 14.766 -3.366 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.034 -2.146 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.759 -0.500 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.345 -1.269 -2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.931 -0.016 -1.650 1.00 0.00 H new ATOM 98 N THR A 7 14.632 -8.593 -1.515 1.00 0.00 N ATOM 99 CA THR A 7 14.763 -9.641 -2.517 1.00 0.00 C ATOM 100 C THR A 7 14.777 -9.018 -3.894 1.00 0.00 C ATOM 101 O THR A 7 14.858 -7.790 -4.013 1.00 0.00 O ATOM 102 CB THR A 7 13.621 -10.658 -2.344 1.00 0.00 C ATOM 103 OG1 THR A 7 12.390 -9.969 -2.506 1.00 0.00 O ATOM 104 CG2 THR A 7 13.584 -11.266 -0.943 1.00 0.00 C ATOM 0 H THR A 7 14.024 -7.824 -1.798 1.00 0.00 H new ATOM 0 HA THR A 7 15.703 -10.179 -2.391 1.00 0.00 H new ATOM 0 HB THR A 7 13.779 -11.450 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.646 -10.599 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.760 -11.976 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.524 -11.781 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.442 -10.475 -0.207 1.00 0.00 H new ATOM 112 N GLU A 8 14.759 -9.854 -4.931 1.00 0.00 N ATOM 113 CA GLU A 8 14.720 -9.385 -6.305 1.00 0.00 C ATOM 114 C GLU A 8 13.353 -8.815 -6.686 1.00 0.00 C ATOM 115 O GLU A 8 12.617 -8.261 -5.862 1.00 0.00 O ATOM 116 CB GLU A 8 15.168 -10.519 -7.246 1.00 0.00 C ATOM 117 CG GLU A 8 14.073 -11.593 -7.405 1.00 0.00 C ATOM 118 CD GLU A 8 14.643 -12.994 -7.257 1.00 0.00 C ATOM 119 OE1 GLU A 8 15.587 -13.315 -8.017 1.00 0.00 O ATOM 120 OE2 GLU A 8 14.161 -13.696 -6.336 1.00 0.00 O ATOM 0 H GLU A 8 14.771 -10.870 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 8 15.418 -8.554 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.416 -10.105 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.075 -10.979 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.295 -11.435 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.602 -11.492 -8.383 1.00 0.00 H new ATOM 127 N SER A 9 13.011 -8.903 -7.973 1.00 0.00 N ATOM 128 CA SER A 9 11.714 -8.560 -8.483 1.00 0.00 C ATOM 129 C SER A 9 10.585 -9.411 -7.886 1.00 0.00 C ATOM 130 O SER A 9 10.716 -10.132 -6.900 1.00 0.00 O ATOM 131 CB SER A 9 11.693 -8.627 -10.024 1.00 0.00 C ATOM 132 OG SER A 9 12.931 -9.051 -10.589 1.00 0.00 O ATOM 0 H SER A 9 13.656 -9.225 -8.695 1.00 0.00 H new ATOM 0 HA SER A 9 11.525 -7.533 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.905 -9.311 -10.340 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.439 -7.644 -10.420 1.00 0.00 H new ATOM 0 HG SER A 9 12.854 -9.075 -11.566 1.00 0.00 H new ATOM 138 N GLY A 10 9.399 -9.336 -8.480 1.00 0.00 N ATOM 139 CA GLY A 10 8.266 -10.112 -8.046 1.00 0.00 C ATOM 140 C GLY A 10 7.013 -9.335 -8.249 1.00 0.00 C ATOM 141 O GLY A 10 7.025 -8.384 -9.036 1.00 0.00 O ATOM 0 H GLY A 10 9.206 -8.730 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.219 -11.047 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.375 -10.374 -6.994 1.00 0.00 H new ATOM 145 N CYS A 11 5.974 -9.653 -7.465 1.00 0.00 N ATOM 146 CA CYS A 11 4.733 -8.907 -7.490 1.00 0.00 C ATOM 147 C CYS A 11 4.953 -7.425 -7.184 1.00 0.00 C ATOM 148 O CYS A 11 4.110 -6.603 -7.479 1.00 0.00 O ATOM 149 CB CYS A 11 3.742 -9.474 -6.498 1.00 0.00 C ATOM 150 SG CYS A 11 2.992 -11.043 -6.960 1.00 0.00 S ATOM 0 H CYS A 11 5.981 -10.430 -6.805 1.00 0.00 H new ATOM 0 HA CYS A 11 4.333 -8.999 -8.500 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.246 -9.601 -5.540 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.948 -8.743 -6.346 1.00 0.00 H new ATOM 155 N TYR A 12 6.106 -7.058 -6.634 1.00 0.00 N ATOM 156 CA TYR A 12 6.531 -5.704 -6.439 1.00 0.00 C ATOM 157 C TYR A 12 6.292 -4.816 -7.651 1.00 0.00 C ATOM 158 O TYR A 12 5.633 -3.791 -7.550 1.00 0.00 O ATOM 159 CB TYR A 12 8.022 -5.722 -6.125 1.00 0.00 C ATOM 160 CG TYR A 12 8.706 -4.394 -6.296 1.00 0.00 C ATOM 161 CD1 TYR A 12 8.282 -3.287 -5.543 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.727 -4.234 -7.245 1.00 0.00 C ATOM 163 CE1 TYR A 12 8.899 -2.026 -5.702 1.00 0.00 C ATOM 164 CE2 TYR A 12 10.340 -2.980 -7.417 1.00 0.00 C ATOM 165 CZ TYR A 12 9.924 -1.875 -6.656 1.00 0.00 C ATOM 166 OH TYR A 12 10.582 -0.699 -6.750 1.00 0.00 O ATOM 0 H TYR A 12 6.790 -7.738 -6.302 1.00 0.00 H new ATOM 0 HA TYR A 12 5.942 -5.285 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.161 -6.060 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.508 -6.454 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.475 -3.401 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.043 -5.075 -7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.588 -1.186 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.135 -2.866 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 12 11.260 -0.759 -7.456 1.00 0.00 H new ATOM 176 N GLN A 13 6.786 -5.247 -8.805 1.00 0.00 N ATOM 177 CA GLN A 13 6.570 -4.494 -10.022 1.00 0.00 C ATOM 178 C GLN A 13 5.120 -4.612 -10.493 1.00 0.00 C ATOM 179 O GLN A 13 4.599 -3.779 -11.210 1.00 0.00 O ATOM 180 CB GLN A 13 7.503 -5.043 -11.100 1.00 0.00 C ATOM 181 CG GLN A 13 7.521 -4.099 -12.318 1.00 0.00 C ATOM 182 CD GLN A 13 8.783 -3.265 -12.434 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.757 -3.398 -11.698 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.881 -2.503 -13.498 1.00 0.00 N ATOM 0 H GLN A 13 7.331 -6.102 -8.918 1.00 0.00 H new ATOM 0 HA GLN A 13 6.777 -3.441 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.511 -5.151 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.174 -6.036 -11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.405 -4.691 -13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.661 -3.432 -12.260 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.079 -2.385 -14.117 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.760 -2.029 -13.706 1.00 0.00 H new ATOM 193 N GLN A 14 4.426 -5.674 -10.091 1.00 0.00 N ATOM 194 CA GLN A 14 3.024 -5.807 -10.360 1.00 0.00 C ATOM 195 C GLN A 14 2.175 -4.844 -9.565 1.00 0.00 C ATOM 196 O GLN A 14 1.119 -4.478 -10.036 1.00 0.00 O ATOM 197 CB GLN A 14 2.545 -7.241 -10.110 1.00 0.00 C ATOM 198 CG GLN A 14 2.774 -8.120 -11.338 1.00 0.00 C ATOM 199 CD GLN A 14 3.797 -9.211 -11.074 1.00 0.00 C ATOM 200 OE1 GLN A 14 5.009 -8.809 -10.787 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 3.537 -10.399 -11.078 1.00 0.00 N flip ATOM 0 H GLN A 14 4.830 -6.454 -9.574 1.00 0.00 H new ATOM 0 HA GLN A 14 2.900 -5.560 -11.414 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.075 -7.661 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.485 -7.234 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.830 -8.574 -11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.111 -7.501 -12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.593 -10.714 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.263 -11.081 -10.858 1.00 0.00 H new ATOM 210 N MET A 15 2.604 -4.424 -8.383 1.00 0.00 N ATOM 211 CA MET A 15 1.900 -3.515 -7.541 1.00 0.00 C ATOM 212 C MET A 15 1.708 -2.192 -8.233 1.00 0.00 C ATOM 213 O MET A 15 0.572 -1.824 -8.415 1.00 0.00 O ATOM 214 CB MET A 15 2.659 -3.226 -6.249 1.00 0.00 C ATOM 215 CG MET A 15 2.249 -4.170 -5.154 1.00 0.00 C ATOM 216 SD MET A 15 3.422 -5.464 -4.894 1.00 0.00 S ATOM 217 CE MET A 15 4.348 -4.645 -3.606 1.00 0.00 C ATOM 0 H MET A 15 3.491 -4.730 -7.984 1.00 0.00 H new ATOM 0 HA MET A 15 0.945 -3.991 -7.316 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.731 -3.315 -6.426 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.471 -2.199 -5.936 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.120 -3.611 -4.227 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.281 -4.607 -5.400 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.162 -5.290 -3.277 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.758 -3.711 -3.990 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.690 -4.433 -2.763 1.00 0.00 H new ATOM 227 N GLU A 16 2.766 -1.468 -8.544 1.00 0.00 N ATOM 228 CA GLU A 16 2.667 -0.198 -9.257 1.00 0.00 C ATOM 229 C GLU A 16 1.919 -0.336 -10.576 1.00 0.00 C ATOM 230 O GLU A 16 1.092 0.502 -10.938 1.00 0.00 O ATOM 231 CB GLU A 16 4.067 0.341 -9.540 1.00 0.00 C ATOM 232 CG GLU A 16 5.059 -0.750 -9.938 1.00 0.00 C ATOM 233 CD GLU A 16 6.239 -0.207 -10.735 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.032 0.582 -11.695 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.370 -0.622 -10.399 1.00 0.00 O ATOM 0 H GLU A 16 3.721 -1.739 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 16 2.109 0.489 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.011 1.081 -10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.438 0.856 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.429 -1.245 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.543 -1.507 -10.529 1.00 0.00 H new ATOM 242 N GLU A 17 2.118 -1.464 -11.266 1.00 0.00 N ATOM 243 CA GLU A 17 1.423 -1.743 -12.505 1.00 0.00 C ATOM 244 C GLU A 17 -0.058 -2.020 -12.284 1.00 0.00 C ATOM 245 O GLU A 17 -0.893 -1.894 -13.182 1.00 0.00 O ATOM 246 CB GLU A 17 2.078 -2.934 -13.227 1.00 0.00 C ATOM 247 CG GLU A 17 1.953 -2.780 -14.746 1.00 0.00 C ATOM 248 CD GLU A 17 3.149 -3.421 -15.455 1.00 0.00 C ATOM 249 OE1 GLU A 17 4.155 -2.705 -15.693 1.00 0.00 O ATOM 250 OE2 GLU A 17 3.067 -4.621 -15.801 1.00 0.00 O ATOM 0 H GLU A 17 2.763 -2.198 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 17 1.501 -0.851 -13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.130 -3.001 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.604 -3.863 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.029 -3.245 -15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.894 -1.723 -15.006 1.00 0.00 H new ATOM 257 N ALA A 18 -0.421 -2.401 -11.067 1.00 0.00 N ATOM 258 CA ALA A 18 -1.754 -2.691 -10.677 1.00 0.00 C ATOM 259 C ALA A 18 -2.057 -2.059 -9.356 1.00 0.00 C ATOM 260 O ALA A 18 -2.528 -2.775 -8.476 1.00 0.00 O ATOM 261 CB ALA A 18 -1.983 -4.208 -10.637 1.00 0.00 C ATOM 0 H ALA A 18 0.250 -2.515 -10.307 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.437 -2.271 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.010 -4.413 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.804 -4.629 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.298 -4.661 -9.920 1.00 0.00 H new ATOM 267 N GLU A 19 -1.790 -0.759 -9.194 1.00 0.00 N ATOM 268 CA GLU A 19 -1.936 0.012 -7.972 1.00 0.00 C ATOM 269 C GLU A 19 -3.220 -0.349 -7.243 1.00 0.00 C ATOM 270 O GLU A 19 -4.318 0.160 -7.495 1.00 0.00 O ATOM 271 CB GLU A 19 -1.884 1.512 -8.279 1.00 0.00 C ATOM 272 CG GLU A 19 -2.367 1.837 -9.694 1.00 0.00 C ATOM 273 CD GLU A 19 -2.918 3.247 -9.805 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.104 4.204 -9.719 1.00 0.00 O ATOM 275 OE2 GLU A 19 -4.162 3.342 -9.926 1.00 0.00 O ATOM 0 H GLU A 19 -1.445 -0.189 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.104 -0.235 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.498 2.049 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.862 1.870 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.541 1.716 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.138 1.124 -9.985 1.00 0.00 H new ATOM 282 N MET A 20 -3.120 -1.331 -6.355 1.00 0.00 N ATOM 283 CA MET A 20 -4.263 -1.920 -5.748 1.00 0.00 C ATOM 284 C MET A 20 -4.416 -1.300 -4.390 1.00 0.00 C ATOM 285 O MET A 20 -5.497 -1.223 -3.840 1.00 0.00 O ATOM 286 CB MET A 20 -4.124 -3.440 -5.601 1.00 0.00 C ATOM 287 CG MET A 20 -2.978 -3.844 -4.711 1.00 0.00 C ATOM 288 SD MET A 20 -1.530 -4.184 -5.664 1.00 0.00 S ATOM 289 CE MET A 20 -0.444 -2.921 -5.041 1.00 0.00 C ATOM 0 H MET A 20 -2.232 -1.728 -6.048 1.00 0.00 H new ATOM 0 HA MET A 20 -5.134 -1.740 -6.379 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.051 -3.846 -5.197 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.985 -3.883 -6.587 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.769 -3.048 -3.996 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.254 -4.726 -4.134 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.149 -2.514 -5.860 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.034 -2.124 -4.590 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.220 -3.350 -4.291 1.00 0.00 H new ATOM 299 N LEU A 21 -3.334 -0.777 -3.837 1.00 0.00 N ATOM 300 CA LEU A 21 -3.330 -0.142 -2.571 1.00 0.00 C ATOM 301 C LEU A 21 -3.133 1.345 -2.759 1.00 0.00 C ATOM 302 O LEU A 21 -2.618 2.030 -1.881 1.00 0.00 O ATOM 303 CB LEU A 21 -2.287 -0.783 -1.691 1.00 0.00 C ATOM 304 CG LEU A 21 -2.384 -2.311 -1.503 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.120 -3.014 -2.030 1.00 0.00 C ATOM 306 CD2 LEU A 21 -2.671 -2.708 -0.061 1.00 0.00 C ATOM 0 H LEU A 21 -2.418 -0.794 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.286 -0.271 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.305 -0.553 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.337 -0.315 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.236 -2.646 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.215 -4.090 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.001 -2.800 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.248 -2.650 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.729 -3.794 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.871 -2.343 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.619 -2.272 0.255 1.00 0.00 H new ATOM 318 N ASN A 22 -3.577 1.864 -3.910 1.00 0.00 N ATOM 319 CA ASN A 22 -3.500 3.270 -4.219 1.00 0.00 C ATOM 320 C ASN A 22 -4.818 3.936 -3.902 1.00 0.00 C ATOM 321 O ASN A 22 -4.867 4.987 -3.276 1.00 0.00 O ATOM 322 CB ASN A 22 -3.200 3.469 -5.701 1.00 0.00 C ATOM 323 CG ASN A 22 -3.369 4.918 -6.102 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.334 5.265 -6.735 1.00 0.00 O ATOM 325 ND2 ASN A 22 -2.585 5.776 -5.498 1.00 0.00 N ATOM 0 H ASN A 22 -4.001 1.303 -4.649 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.703 3.711 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.181 3.146 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.865 2.844 -6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.783 6.775 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.777 5.445 -4.971 1.00 0.00 H new ATOM 332 N HIS A 23 -5.935 3.275 -4.220 1.00 0.00 N ATOM 333 CA HIS A 23 -7.249 3.810 -3.984 1.00 0.00 C ATOM 334 C HIS A 23 -7.506 3.858 -2.486 1.00 0.00 C ATOM 335 O HIS A 23 -7.792 4.901 -1.905 1.00 0.00 O ATOM 336 CB HIS A 23 -8.292 2.937 -4.694 1.00 0.00 C ATOM 337 CG HIS A 23 -8.133 2.883 -6.202 1.00 0.00 C ATOM 338 ND1 HIS A 23 -9.021 3.406 -7.109 1.00 0.00 N ATOM 339 CD2 HIS A 23 -7.101 2.295 -6.891 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.548 3.141 -8.344 1.00 0.00 C ATOM 341 NE2 HIS A 23 -7.382 2.475 -8.244 1.00 0.00 N ATOM 0 H HIS A 23 -5.937 2.350 -4.650 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.321 4.822 -4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.233 1.924 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.287 3.314 -4.458 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.883 3.905 -6.889 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.243 1.793 -6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.030 3.420 -9.270 1.00 0.00 H new ATOM 350 N CYS A 24 -7.348 2.721 -1.811 1.00 0.00 N ATOM 351 CA CYS A 24 -7.455 2.708 -0.375 1.00 0.00 C ATOM 352 C CYS A 24 -6.377 3.568 0.260 1.00 0.00 C ATOM 353 O CYS A 24 -6.602 3.998 1.367 1.00 0.00 O ATOM 354 CB CYS A 24 -7.370 1.274 0.155 1.00 0.00 C ATOM 355 SG CYS A 24 -9.013 0.512 0.233 1.00 0.00 S ATOM 0 H CYS A 24 -7.149 1.816 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.425 3.125 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.721 0.682 -0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.918 1.275 1.147 1.00 0.00 H new ATOM 360 N GLY A 25 -5.287 3.878 -0.439 1.00 0.00 N ATOM 361 CA GLY A 25 -4.235 4.738 0.013 1.00 0.00 C ATOM 362 C GLY A 25 -4.637 6.189 -0.035 1.00 0.00 C ATOM 363 O GLY A 25 -4.518 6.867 0.974 1.00 0.00 O ATOM 0 H GLY A 25 -5.121 3.512 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.961 4.471 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.350 4.586 -0.605 1.00 0.00 H new ATOM 367 N MET A 26 -5.229 6.658 -1.128 1.00 0.00 N ATOM 368 CA MET A 26 -5.626 8.033 -1.295 1.00 0.00 C ATOM 369 C MET A 26 -6.588 8.465 -0.202 1.00 0.00 C ATOM 370 O MET A 26 -6.489 9.572 0.315 1.00 0.00 O ATOM 371 CB MET A 26 -6.334 8.192 -2.636 1.00 0.00 C ATOM 372 CG MET A 26 -6.154 9.586 -3.211 1.00 0.00 C ATOM 373 SD MET A 26 -7.695 10.181 -3.940 1.00 0.00 S ATOM 374 CE MET A 26 -7.009 11.409 -5.073 1.00 0.00 C ATOM 0 H MET A 26 -5.447 6.072 -1.934 1.00 0.00 H new ATOM 0 HA MET A 26 -4.729 8.650 -1.247 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.946 7.456 -3.340 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.397 7.985 -2.512 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.830 10.269 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.369 9.574 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.534 12.356 -4.945 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.950 11.550 -4.859 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.129 11.064 -6.100 1.00 0.00 H new ATOM 384 N TYR A 27 -7.486 7.559 0.204 1.00 0.00 N ATOM 385 CA TYR A 27 -8.394 7.786 1.303 1.00 0.00 C ATOM 386 C TYR A 27 -7.670 8.136 2.598 1.00 0.00 C ATOM 387 O TYR A 27 -8.159 8.910 3.413 1.00 0.00 O ATOM 388 CB TYR A 27 -9.201 6.500 1.499 1.00 0.00 C ATOM 389 CG TYR A 27 -10.272 6.585 2.552 1.00 0.00 C ATOM 390 CD1 TYR A 27 -9.951 6.433 3.914 1.00 0.00 C ATOM 391 CD2 TYR A 27 -11.607 6.826 2.180 1.00 0.00 C ATOM 392 CE1 TYR A 27 -10.947 6.522 4.904 1.00 0.00 C ATOM 393 CE2 TYR A 27 -12.609 6.914 3.171 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.278 6.762 4.532 1.00 0.00 C ATOM 395 OH TYR A 27 -13.233 6.889 5.478 1.00 0.00 O ATOM 0 H TYR A 27 -7.593 6.644 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.033 8.636 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.664 6.229 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.516 5.694 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.927 6.246 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.865 6.944 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.688 6.406 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.634 7.099 2.884 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.099 7.053 5.049 1.00 0.00 H new ATOM 405 N LEU A 28 -6.499 7.553 2.796 1.00 0.00 N ATOM 406 CA LEU A 28 -5.696 7.760 3.962 1.00 0.00 C ATOM 407 C LEU A 28 -4.795 8.958 3.672 1.00 0.00 C ATOM 408 O LEU A 28 -4.635 9.821 4.504 1.00 0.00 O ATOM 409 CB LEU A 28 -4.901 6.491 4.325 1.00 0.00 C ATOM 410 CG LEU A 28 -5.610 5.169 4.035 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.601 4.086 3.655 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.510 4.742 5.172 1.00 0.00 C ATOM 0 H LEU A 28 -6.081 6.908 2.125 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.314 7.968 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.957 6.505 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.656 6.527 5.386 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.264 5.325 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.127 3.153 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.054 4.395 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.901 3.937 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.992 3.797 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.917 4.616 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.271 5.504 5.340 1.00 0.00 H new ATOM 424 N MET A 29 -4.340 9.164 2.451 1.00 0.00 N ATOM 425 CA MET A 29 -3.547 10.296 2.058 1.00 0.00 C ATOM 426 C MET A 29 -4.353 11.583 1.997 1.00 0.00 C ATOM 427 O MET A 29 -3.800 12.653 1.774 1.00 0.00 O ATOM 428 CB MET A 29 -2.909 10.010 0.706 1.00 0.00 C ATOM 429 CG MET A 29 -1.408 10.230 0.746 1.00 0.00 C ATOM 430 SD MET A 29 -0.694 10.031 -0.895 1.00 0.00 S ATOM 431 CE MET A 29 0.180 11.604 -1.037 1.00 0.00 C ATOM 0 H MET A 29 -4.524 8.519 1.682 1.00 0.00 H new ATOM 0 HA MET A 29 -2.779 10.445 2.817 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.120 8.982 0.412 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.353 10.656 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.191 11.229 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.950 9.522 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.078 11.468 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.469 12.339 -1.514 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.459 11.956 -0.044 1.00 0.00 H new ATOM 441 N LYS A 30 -5.655 11.525 2.267 1.00 0.00 N ATOM 442 CA LYS A 30 -6.501 12.683 2.289 1.00 0.00 C ATOM 443 C LYS A 30 -6.157 13.589 3.446 1.00 0.00 C ATOM 444 O LYS A 30 -6.302 14.796 3.303 1.00 0.00 O ATOM 445 CB LYS A 30 -7.967 12.244 2.305 1.00 0.00 C ATOM 446 CG LYS A 30 -8.477 12.071 0.865 1.00 0.00 C ATOM 447 CD LYS A 30 -9.564 13.102 0.552 1.00 0.00 C ATOM 448 CE LYS A 30 -8.971 14.520 0.478 1.00 0.00 C ATOM 449 NZ LYS A 30 -9.370 15.173 -0.781 1.00 0.00 N ATOM 0 H LYS A 30 -6.144 10.655 2.477 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.335 13.269 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.069 11.306 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.572 12.985 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.650 12.183 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.874 11.064 0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.044 12.854 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.337 13.066 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.315 15.111 1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.884 14.471 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.700 15.937 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.366 14.474 -1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.326 15.569 -0.679 1.00 0.00 H new ATOM 463 N ASN A 31 -5.615 13.016 4.527 1.00 0.00 N ATOM 464 CA ASN A 31 -5.157 13.745 5.690 1.00 0.00 C ATOM 465 C ASN A 31 -3.791 13.268 6.154 1.00 0.00 C ATOM 466 O ASN A 31 -3.329 13.633 7.235 1.00 0.00 O ATOM 467 CB ASN A 31 -6.182 13.558 6.817 1.00 0.00 C ATOM 468 CG ASN A 31 -7.410 14.431 6.676 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.874 14.806 5.620 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.020 14.771 7.778 1.00 0.00 N ATOM 0 H ASN A 31 -5.485 12.008 4.608 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.061 14.798 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.491 12.513 6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.702 13.773 7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.866 15.339 7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.651 14.469 8.679 1.00 0.00 H new ATOM 477 N LEU A 32 -3.149 12.408 5.360 1.00 0.00 N ATOM 478 CA LEU A 32 -1.834 11.891 5.657 1.00 0.00 C ATOM 479 C LEU A 32 -0.813 12.415 4.656 1.00 0.00 C ATOM 480 O LEU A 32 0.387 12.208 4.817 1.00 0.00 O ATOM 481 CB LEU A 32 -1.873 10.358 5.695 1.00 0.00 C ATOM 482 CG LEU A 32 -2.864 9.798 6.729 1.00 0.00 C ATOM 483 CD1 LEU A 32 -3.158 8.305 6.525 1.00 0.00 C ATOM 484 CD2 LEU A 32 -2.348 10.009 8.099 1.00 0.00 C ATOM 0 H LEU A 32 -3.541 12.055 4.487 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.522 12.240 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.140 9.984 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.875 9.982 5.919 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.799 10.341 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.863 7.966 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.588 8.151 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.232 7.737 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.059 9.608 8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.391 9.499 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.213 11.076 8.277 1.00 0.00 H new ATOM 496 N GLY A 33 -1.274 13.116 3.614 1.00 0.00 N ATOM 497 CA GLY A 33 -0.431 13.673 2.595 1.00 0.00 C ATOM 498 C GLY A 33 -1.250 14.135 1.405 1.00 0.00 C ATOM 499 O GLY A 33 -1.454 13.406 0.451 1.00 0.00 O ATOM 0 H GLY A 33 -2.266 13.306 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.131 14.513 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.297 12.928 2.273 1.00 0.00 H new ATOM 503 N GLU A 34 -1.724 15.370 1.440 1.00 0.00 N ATOM 504 CA GLU A 34 -2.499 15.921 0.333 1.00 0.00 C ATOM 505 C GLU A 34 -1.861 17.202 -0.179 1.00 0.00 C ATOM 506 O GLU A 34 -2.485 18.098 -0.741 1.00 0.00 O ATOM 507 CB GLU A 34 -3.959 16.106 0.774 1.00 0.00 C ATOM 508 CG GLU A 34 -4.919 15.651 -0.339 1.00 0.00 C ATOM 509 CD GLU A 34 -5.909 16.750 -0.745 1.00 0.00 C ATOM 510 OE1 GLU A 34 -5.541 17.949 -0.782 1.00 0.00 O ATOM 511 OE2 GLU A 34 -7.065 16.396 -1.047 1.00 0.00 O ATOM 0 H GLU A 34 -1.587 16.012 2.221 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.500 15.227 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.147 15.532 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.142 17.153 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.341 15.347 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.472 14.774 -0.002 1.00 0.00 H new ATOM 518 N ARG A 35 -0.565 17.381 0.096 1.00 0.00 N ATOM 519 CA ARG A 35 0.157 18.551 -0.326 1.00 0.00 C ATOM 520 C ARG A 35 0.723 18.333 -1.711 1.00 0.00 C ATOM 521 O ARG A 35 1.527 17.427 -1.914 1.00 0.00 O ATOM 522 CB ARG A 35 1.269 18.880 0.676 1.00 0.00 C ATOM 523 CG ARG A 35 1.007 20.244 1.323 1.00 0.00 C ATOM 524 CD ARG A 35 2.294 20.804 1.925 1.00 0.00 C ATOM 525 NE ARG A 35 2.715 22.047 1.252 1.00 0.00 N ATOM 526 CZ ARG A 35 3.607 22.912 1.698 1.00 0.00 C ATOM 527 NH1 ARG A 35 4.225 22.705 2.827 1.00 0.00 N ATOM 528 NH2 ARG A 35 3.890 23.987 1.017 1.00 0.00 N ATOM 0 H ARG A 35 -0.001 16.710 0.618 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.526 19.400 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.318 18.108 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.235 18.888 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.614 20.937 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.248 20.146 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.145 20.998 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.087 20.060 1.845 1.00 0.00 H new ATOM 0 HE ARG A 35 2.275 22.259 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.021 21.869 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.913 23.379 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.420 24.167 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.581 24.648 1.372 1.00 0.00 H new ATOM 542 N SER A 36 0.394 19.229 -2.642 1.00 0.00 N ATOM 543 CA SER A 36 0.918 19.166 -3.993 1.00 0.00 C ATOM 544 C SER A 36 0.585 20.432 -4.743 1.00 0.00 C ATOM 545 O SER A 36 -0.575 20.828 -4.826 1.00 0.00 O ATOM 546 CB SER A 36 0.346 17.947 -4.736 1.00 0.00 C ATOM 547 OG SER A 36 -1.073 17.955 -4.758 1.00 0.00 O ATOM 0 H SER A 36 -0.239 20.011 -2.476 1.00 0.00 H new ATOM 0 HA SER A 36 2.002 19.064 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.724 17.935 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.696 17.033 -4.256 1.00 0.00 H new ATOM 0 HG SER A 36 -1.395 18.880 -4.737 1.00 0.00 H new ATOM 553 N GLN A 37 1.609 21.138 -5.231 1.00 0.00 N ATOM 554 CA GLN A 37 1.422 22.379 -5.966 1.00 0.00 C ATOM 555 C GLN A 37 1.751 22.177 -7.431 1.00 0.00 C ATOM 556 O GLN A 37 2.822 22.546 -7.907 1.00 0.00 O ATOM 557 CB GLN A 37 2.274 23.492 -5.351 1.00 0.00 C ATOM 558 CG GLN A 37 1.706 23.926 -3.996 1.00 0.00 C ATOM 559 CD GLN A 37 1.233 25.366 -4.057 1.00 0.00 C ATOM 560 OE1 GLN A 37 1.818 26.255 -3.464 1.00 0.00 O ATOM 561 NE2 GLN A 37 0.159 25.609 -4.777 1.00 0.00 N ATOM 0 H GLN A 37 2.585 20.861 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 37 0.377 22.680 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.299 23.144 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.307 24.346 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.877 23.276 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.468 23.819 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.312 24.846 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.203 26.560 -4.849 1.00 0.00 H new ATOM 570 N VAL A 38 0.848 21.518 -8.152 1.00 0.00 N ATOM 571 CA VAL A 38 1.023 21.265 -9.570 1.00 0.00 C ATOM 572 C VAL A 38 -0.321 21.198 -10.255 1.00 0.00 C ATOM 573 O VAL A 38 -1.355 21.103 -9.592 1.00 0.00 O ATOM 574 CB VAL A 38 1.862 19.987 -9.755 1.00 0.00 C ATOM 575 CG1 VAL A 38 1.090 18.737 -9.329 1.00 0.00 C ATOM 576 CG2 VAL A 38 2.347 19.856 -11.203 1.00 0.00 C ATOM 0 H VAL A 38 -0.021 21.148 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 38 1.567 22.083 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 38 2.733 20.073 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.715 17.856 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.817 18.819 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.187 18.644 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.937 18.946 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.488 19.810 -11.872 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.962 20.719 -11.460 1.00 0.00 H new ATOM 586 N SER A 39 -0.318 21.252 -11.589 1.00 0.00 N ATOM 587 CA SER A 39 -1.527 21.157 -12.361 1.00 0.00 C ATOM 588 C SER A 39 -2.317 19.892 -12.021 1.00 0.00 C ATOM 589 O SER A 39 -1.740 18.856 -11.670 1.00 0.00 O ATOM 590 CB SER A 39 -1.225 21.180 -13.861 1.00 0.00 C ATOM 591 OG SER A 39 -0.985 22.513 -14.288 1.00 0.00 O ATOM 0 H SER A 39 0.527 21.363 -12.149 1.00 0.00 H new ATOM 0 HA SER A 39 -2.134 22.025 -12.104 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.355 20.559 -14.075 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.063 20.757 -14.415 1.00 0.00 H new ATOM 0 HG SER A 39 -0.791 22.519 -15.249 1.00 0.00 H new ATOM 597 N PRO A 40 -3.650 19.941 -12.178 1.00 0.00 N ATOM 598 CA PRO A 40 -4.511 18.814 -11.879 1.00 0.00 C ATOM 599 C PRO A 40 -4.396 17.779 -12.976 1.00 0.00 C ATOM 600 O PRO A 40 -5.271 17.716 -13.845 1.00 0.00 O ATOM 601 CB PRO A 40 -5.926 19.384 -11.763 1.00 0.00 C ATOM 602 CG PRO A 40 -5.882 20.760 -12.457 1.00 0.00 C ATOM 603 CD PRO A 40 -4.409 21.101 -12.643 1.00 0.00 C ATOM 0 HA PRO A 40 -4.235 18.310 -10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.653 18.728 -12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.224 19.482 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.397 20.727 -13.417 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.382 21.516 -11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.190 21.314 -13.689 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.143 21.992 -12.074 1.00 0.00 H new ATOM 611 N ARG A 41 -3.333 16.943 -12.922 1.00 0.00 N ATOM 612 CA ARG A 41 -3.069 15.907 -13.902 1.00 0.00 C ATOM 613 C ARG A 41 -4.356 15.172 -14.208 1.00 0.00 C ATOM 614 O ARG A 41 -4.938 15.366 -15.271 1.00 0.00 O ATOM 615 CB ARG A 41 -1.984 14.940 -13.390 1.00 0.00 C ATOM 616 CG ARG A 41 -0.850 14.821 -14.400 1.00 0.00 C ATOM 617 CD ARG A 41 0.091 13.689 -13.993 1.00 0.00 C ATOM 618 NE ARG A 41 1.474 14.168 -13.849 1.00 0.00 N ATOM 619 CZ ARG A 41 2.568 13.434 -13.953 1.00 0.00 C ATOM 620 NH1 ARG A 41 2.496 12.159 -14.215 1.00 0.00 N ATOM 621 NH2 ARG A 41 3.744 13.978 -13.805 1.00 0.00 N ATOM 0 H ARG A 41 -2.635 16.984 -12.179 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.695 16.361 -14.820 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.593 15.296 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.421 13.958 -13.209 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.255 14.630 -15.394 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.300 15.761 -14.455 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.245 13.255 -13.052 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.055 12.897 -14.741 1.00 0.00 H new ATOM 0 HE ARG A 41 1.601 15.160 -13.650 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.587 11.715 -14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.349 11.605 -14.292 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.823 14.976 -13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.584 13.406 -13.886 1.00 0.00 H new ATOM 635 N MET A 42 -4.805 14.355 -13.251 1.00 0.00 N ATOM 636 CA MET A 42 -5.984 13.542 -13.407 1.00 0.00 C ATOM 637 C MET A 42 -6.654 13.330 -12.073 1.00 0.00 C ATOM 638 O MET A 42 -5.973 13.215 -11.057 1.00 0.00 O ATOM 639 CB MET A 42 -5.630 12.180 -14.022 1.00 0.00 C ATOM 640 CG MET A 42 -4.654 12.300 -15.189 1.00 0.00 C ATOM 641 SD MET A 42 -4.691 10.852 -16.247 1.00 0.00 S ATOM 642 CE MET A 42 -2.949 10.764 -16.663 1.00 0.00 C ATOM 0 H MET A 42 -4.348 14.248 -12.345 1.00 0.00 H new ATOM 0 HA MET A 42 -6.667 14.065 -14.076 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.195 11.540 -13.254 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.542 11.692 -14.365 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.899 13.185 -15.777 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.644 12.442 -14.804 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.775 9.914 -17.323 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.648 11.683 -17.167 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.363 10.641 -15.752 1.00 0.00 H new ATOM 652 N ARG A 43 -7.987 13.357 -12.067 1.00 0.00 N ATOM 653 CA ARG A 43 -8.763 13.144 -10.862 1.00 0.00 C ATOM 654 C ARG A 43 -9.127 11.682 -10.718 1.00 0.00 C ATOM 655 O ARG A 43 -9.086 10.937 -11.689 1.00 0.00 O ATOM 656 CB ARG A 43 -10.024 14.017 -10.887 1.00 0.00 C ATOM 657 CG ARG A 43 -9.644 15.493 -10.757 1.00 0.00 C ATOM 658 CD ARG A 43 -9.423 16.137 -12.138 1.00 0.00 C ATOM 659 NE ARG A 43 -10.672 16.715 -12.657 1.00 0.00 N ATOM 660 CZ ARG A 43 -11.293 17.770 -12.153 1.00 0.00 C ATOM 661 NH1 ARG A 43 -10.803 18.411 -11.125 1.00 0.00 N ATOM 662 NH2 ARG A 43 -12.413 18.193 -12.667 1.00 0.00 N ATOM 0 H ARG A 43 -8.551 13.527 -12.900 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.160 13.430 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.570 13.854 -11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.690 13.732 -10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.431 16.028 -10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.736 15.586 -10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.662 16.914 -12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.047 15.389 -12.836 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.094 16.267 -13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.930 18.100 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.294 19.222 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.821 17.710 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.881 19.007 -12.269 1.00 0.00 H new ATOM 676 N GLU A 44 -9.580 11.307 -9.528 1.00 0.00 N ATOM 677 CA GLU A 44 -10.033 9.953 -9.261 1.00 0.00 C ATOM 678 C GLU A 44 -11.388 9.968 -8.583 1.00 0.00 C ATOM 679 O GLU A 44 -11.747 10.932 -7.898 1.00 0.00 O ATOM 680 CB GLU A 44 -8.985 9.228 -8.405 1.00 0.00 C ATOM 681 CG GLU A 44 -7.778 8.821 -9.267 1.00 0.00 C ATOM 682 CD GLU A 44 -6.596 8.430 -8.385 1.00 0.00 C ATOM 683 OE1 GLU A 44 -6.094 9.318 -7.660 1.00 0.00 O ATOM 684 OE2 GLU A 44 -6.371 7.205 -8.308 1.00 0.00 O ATOM 0 H GLU A 44 -9.643 11.933 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.148 9.415 -10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.658 9.877 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.428 8.343 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.050 7.985 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.495 9.647 -9.919 1.00 0.00 H new ATOM 691 N GLU A 45 -12.137 8.880 -8.763 1.00 0.00 N ATOM 692 CA GLU A 45 -13.436 8.733 -8.134 1.00 0.00 C ATOM 693 C GLU A 45 -13.301 8.203 -6.722 1.00 0.00 C ATOM 694 O GLU A 45 -12.246 7.662 -6.334 1.00 0.00 O ATOM 695 CB GLU A 45 -14.336 7.833 -9.001 1.00 0.00 C ATOM 696 CG GLU A 45 -15.396 8.670 -9.736 1.00 0.00 C ATOM 697 CD GLU A 45 -15.603 8.168 -11.164 1.00 0.00 C ATOM 698 OE1 GLU A 45 -15.888 6.958 -11.331 1.00 0.00 O ATOM 699 OE2 GLU A 45 -15.416 8.991 -12.090 1.00 0.00 O ATOM 0 H GLU A 45 -11.859 8.088 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.907 9.713 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.727 7.291 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.825 7.087 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.339 8.626 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.088 9.715 -9.756 1.00 0.00 H new ATOM 706 N ASP A 46 -14.376 8.365 -5.937 1.00 0.00 N ATOM 707 CA ASP A 46 -14.440 7.825 -4.596 1.00 0.00 C ATOM 708 C ASP A 46 -13.908 6.390 -4.528 1.00 0.00 C ATOM 709 O ASP A 46 -14.082 5.530 -5.399 1.00 0.00 O ATOM 710 CB ASP A 46 -15.870 7.911 -4.025 1.00 0.00 C ATOM 711 CG ASP A 46 -16.779 6.732 -4.430 1.00 0.00 C ATOM 712 OD1 ASP A 46 -16.783 6.360 -5.626 1.00 0.00 O ATOM 713 OD2 ASP A 46 -17.460 6.214 -3.529 1.00 0.00 O ATOM 0 H ASP A 46 -15.213 8.872 -6.223 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.790 8.441 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.814 7.956 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.328 8.842 -4.360 1.00 0.00 H new ATOM 718 N HIS A 47 -13.100 6.107 -3.508 1.00 0.00 N ATOM 719 CA HIS A 47 -12.599 4.757 -3.338 1.00 0.00 C ATOM 720 C HIS A 47 -13.537 3.988 -2.460 1.00 0.00 C ATOM 721 O HIS A 47 -14.538 4.551 -2.065 1.00 0.00 O ATOM 722 CB HIS A 47 -11.192 4.821 -2.768 1.00 0.00 C ATOM 723 CG HIS A 47 -10.302 5.636 -3.686 1.00 0.00 C ATOM 724 ND1 HIS A 47 -10.262 5.528 -5.053 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.401 6.585 -3.300 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.291 6.354 -5.503 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.744 7.001 -4.460 1.00 0.00 N ATOM 0 H HIS A 47 -12.788 6.779 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.547 4.236 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.212 5.269 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.789 3.814 -2.656 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.230 6.944 -2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.001 6.475 -6.536 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -7.982 7.678 -4.507 1.00 0.00 H new ATOM 736 N LYS A 48 -13.187 2.735 -2.107 1.00 0.00 N ATOM 737 CA LYS A 48 -13.956 1.845 -1.244 1.00 0.00 C ATOM 738 C LYS A 48 -13.436 0.430 -1.344 1.00 0.00 C ATOM 739 O LYS A 48 -12.627 0.007 -0.530 1.00 0.00 O ATOM 740 CB LYS A 48 -15.465 1.931 -1.589 1.00 0.00 C ATOM 741 CG LYS A 48 -16.182 2.785 -0.533 1.00 0.00 C ATOM 742 CD LYS A 48 -16.593 1.924 0.654 1.00 0.00 C ATOM 743 CE LYS A 48 -18.044 1.459 0.479 1.00 0.00 C ATOM 744 NZ LYS A 48 -18.100 0.002 0.250 1.00 0.00 N ATOM 0 H LYS A 48 -12.321 2.306 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.836 2.164 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.599 2.368 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.900 0.932 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.525 3.588 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.062 3.255 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.932 1.061 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.492 2.491 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.623 1.715 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.500 1.982 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.090 -0.293 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.565 -0.235 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.684 -0.494 1.064 1.00 0.00 H new ATOM 758 N GLN A 49 -13.794 -0.259 -2.426 1.00 0.00 N ATOM 759 CA GLN A 49 -13.348 -1.608 -2.700 1.00 0.00 C ATOM 760 C GLN A 49 -12.521 -1.652 -3.966 1.00 0.00 C ATOM 761 O GLN A 49 -12.105 -2.726 -4.395 1.00 0.00 O ATOM 762 CB GLN A 49 -14.556 -2.550 -2.796 1.00 0.00 C ATOM 763 CG GLN A 49 -14.542 -3.540 -1.628 1.00 0.00 C ATOM 764 CD GLN A 49 -15.675 -4.541 -1.744 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.839 -4.176 -1.808 1.00 0.00 O ATOM 766 NE2 GLN A 49 -15.345 -5.813 -1.798 1.00 0.00 N ATOM 0 H GLN A 49 -14.413 0.118 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.714 -1.943 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.480 -1.972 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.532 -3.091 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.588 -4.067 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.628 -2.997 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.364 -6.088 -1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.070 -6.524 -1.896 1.00 0.00 H new ATOM 775 N LEU A 50 -12.205 -0.487 -4.543 1.00 0.00 N ATOM 776 CA LEU A 50 -11.360 -0.406 -5.703 1.00 0.00 C ATOM 777 C LEU A 50 -9.946 -0.869 -5.365 1.00 0.00 C ATOM 778 O LEU A 50 -9.165 -1.156 -6.246 1.00 0.00 O ATOM 779 CB LEU A 50 -11.369 1.040 -6.227 1.00 0.00 C ATOM 780 CG LEU A 50 -12.496 1.305 -7.249 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.639 2.817 -7.457 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.214 0.586 -8.574 1.00 0.00 C ATOM 0 H LEU A 50 -12.536 0.417 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.738 -1.065 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.480 1.725 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.407 1.259 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.435 0.909 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.433 3.012 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.885 3.293 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.700 3.223 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.022 0.788 -9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.273 0.945 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.146 -0.488 -8.398 1.00 0.00 H new ATOM 794 N CYS A 51 -9.597 -0.945 -4.080 1.00 0.00 N ATOM 795 CA CYS A 51 -8.347 -1.484 -3.651 1.00 0.00 C ATOM 796 C CYS A 51 -8.428 -2.984 -3.516 1.00 0.00 C ATOM 797 O CYS A 51 -7.592 -3.668 -4.096 1.00 0.00 O ATOM 798 CB CYS A 51 -7.932 -0.814 -2.339 1.00 0.00 C ATOM 799 SG CYS A 51 -8.959 -1.176 -0.888 1.00 0.00 S ATOM 0 H CYS A 51 -10.193 -0.626 -3.316 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.583 -1.276 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.907 -1.109 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.927 0.265 -2.493 1.00 0.00 H new ATOM 804 N CYS A 52 -9.491 -3.504 -2.878 1.00 0.00 N ATOM 805 CA CYS A 52 -9.717 -4.930 -2.748 1.00 0.00 C ATOM 806 C CYS A 52 -9.891 -5.587 -4.119 1.00 0.00 C ATOM 807 O CYS A 52 -9.862 -6.805 -4.241 1.00 0.00 O ATOM 808 CB CYS A 52 -10.910 -5.195 -1.823 1.00 0.00 C ATOM 809 SG CYS A 52 -10.803 -6.714 -0.847 1.00 0.00 S ATOM 0 H CYS A 52 -10.214 -2.933 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.838 -5.385 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.016 -4.351 -1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.817 -5.233 -2.427 1.00 0.00 H new ATOM 814 N MET A 53 -10.061 -4.781 -5.172 1.00 0.00 N ATOM 815 CA MET A 53 -10.228 -5.230 -6.518 1.00 0.00 C ATOM 816 C MET A 53 -8.913 -5.738 -7.077 1.00 0.00 C ATOM 817 O MET A 53 -8.733 -6.938 -7.282 1.00 0.00 O ATOM 818 CB MET A 53 -10.762 -4.075 -7.379 1.00 0.00 C ATOM 819 CG MET A 53 -11.621 -4.615 -8.515 1.00 0.00 C ATOM 820 SD MET A 53 -11.289 -3.748 -10.057 1.00 0.00 S ATOM 821 CE MET A 53 -9.722 -4.542 -10.485 1.00 0.00 C ATOM 0 H MET A 53 -10.084 -3.765 -5.085 1.00 0.00 H new ATOM 0 HA MET A 53 -10.944 -6.052 -6.533 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.349 -3.394 -6.762 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.930 -3.500 -7.785 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.427 -5.680 -8.645 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.675 -4.512 -8.257 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.118 -3.858 -11.081 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.184 -4.800 -9.573 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.918 -5.448 -11.059 1.00 0.00 H new ATOM 831 N GLN A 54 -7.960 -4.821 -7.304 1.00 0.00 N ATOM 832 CA GLN A 54 -6.671 -5.186 -7.834 1.00 0.00 C ATOM 833 C GLN A 54 -5.870 -5.964 -6.799 1.00 0.00 C ATOM 834 O GLN A 54 -4.948 -6.694 -7.132 1.00 0.00 O ATOM 835 CB GLN A 54 -5.896 -3.942 -8.264 1.00 0.00 C ATOM 836 CG GLN A 54 -6.415 -3.360 -9.567 1.00 0.00 C ATOM 837 CD GLN A 54 -6.955 -1.956 -9.391 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.761 -1.682 -8.523 1.00 0.00 O ATOM 839 NE2 GLN A 54 -6.566 -1.043 -10.241 1.00 0.00 N ATOM 0 H GLN A 54 -8.074 -3.824 -7.123 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.829 -5.820 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.961 -3.187 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.842 -4.195 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.612 -3.349 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.201 -4.003 -9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.890 -1.278 -10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.939 -0.096 -10.178 1.00 0.00 H new ATOM 848 N LEU A 55 -6.231 -5.853 -5.522 1.00 0.00 N ATOM 849 CA LEU A 55 -5.555 -6.558 -4.473 1.00 0.00 C ATOM 850 C LEU A 55 -5.751 -8.051 -4.655 1.00 0.00 C ATOM 851 O LEU A 55 -4.823 -8.805 -4.395 1.00 0.00 O ATOM 852 CB LEU A 55 -6.105 -6.101 -3.126 1.00 0.00 C ATOM 853 CG LEU A 55 -5.354 -4.935 -2.455 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.234 -4.144 -1.480 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.081 -5.444 -1.765 1.00 0.00 C ATOM 0 H LEU A 55 -7.002 -5.268 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.487 -6.344 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.146 -5.808 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.099 -6.952 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.072 -4.239 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.652 -3.336 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.086 -3.726 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.591 -4.807 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.562 -4.608 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.348 -6.178 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.428 -5.908 -2.504 1.00 0.00 H new ATOM 867 N LYS A 56 -6.919 -8.460 -5.165 1.00 0.00 N ATOM 868 CA LYS A 56 -7.158 -9.845 -5.519 1.00 0.00 C ATOM 869 C LYS A 56 -6.466 -10.238 -6.826 1.00 0.00 C ATOM 870 O LYS A 56 -6.214 -11.412 -7.069 1.00 0.00 O ATOM 871 CB LYS A 56 -8.673 -10.080 -5.580 1.00 0.00 C ATOM 872 CG LYS A 56 -8.996 -11.527 -5.979 1.00 0.00 C ATOM 873 CD LYS A 56 -10.063 -12.124 -5.071 1.00 0.00 C ATOM 874 CE LYS A 56 -10.469 -13.516 -5.574 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.037 -14.317 -4.471 1.00 0.00 N ATOM 0 H LYS A 56 -7.710 -7.840 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.722 -10.487 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.117 -9.860 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.121 -9.393 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.339 -11.554 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.091 -12.132 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.685 -12.194 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.935 -11.471 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.200 -13.421 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.601 -14.026 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.307 -15.256 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.328 -14.423 -3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.877 -13.837 -4.090 1.00 0.00 H new ATOM 889 N ASN A 57 -6.183 -9.259 -7.686 1.00 0.00 N ATOM 890 CA ASN A 57 -5.420 -9.506 -8.888 1.00 0.00 C ATOM 891 C ASN A 57 -4.010 -9.996 -8.592 1.00 0.00 C ATOM 892 O ASN A 57 -3.363 -10.568 -9.470 1.00 0.00 O ATOM 893 CB ASN A 57 -5.315 -8.221 -9.738 1.00 0.00 C ATOM 894 CG ASN A 57 -5.987 -8.318 -11.076 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.213 -9.370 -11.641 1.00 0.00 O ATOM 896 ND2 ASN A 57 -6.404 -7.189 -11.602 1.00 0.00 N ATOM 0 H ASN A 57 -6.476 -8.290 -7.563 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.954 -10.285 -9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.754 -7.393 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.262 -7.982 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.917 -7.196 -12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.215 -6.305 -11.129 1.00 0.00 H new ATOM 903 N LEU A 58 -3.488 -9.667 -7.405 1.00 0.00 N ATOM 904 CA LEU A 58 -2.205 -10.131 -6.958 1.00 0.00 C ATOM 905 C LEU A 58 -2.289 -11.552 -6.403 1.00 0.00 C ATOM 906 O LEU A 58 -3.315 -12.222 -6.474 1.00 0.00 O ATOM 907 CB LEU A 58 -1.636 -9.113 -5.947 1.00 0.00 C ATOM 908 CG LEU A 58 -0.778 -8.033 -6.615 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.293 -7.074 -5.534 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.428 -8.633 -7.336 1.00 0.00 C ATOM 0 H LEU A 58 -3.963 -9.064 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.515 -10.194 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.459 -8.639 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.036 -9.640 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.383 -7.515 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.321 -6.295 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.151 -6.618 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.299 -7.622 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.011 -7.835 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.050 -9.170 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.085 -9.323 -8.107 1.00 0.00 H new ATOM 922 N ASP A 59 -1.175 -12.026 -5.854 1.00 0.00 N ATOM 923 CA ASP A 59 -1.123 -13.335 -5.245 1.00 0.00 C ATOM 924 C ASP A 59 -1.283 -13.236 -3.750 1.00 0.00 C ATOM 925 O ASP A 59 -0.832 -12.265 -3.137 1.00 0.00 O ATOM 926 CB ASP A 59 0.234 -13.982 -5.563 1.00 0.00 C ATOM 927 CG ASP A 59 0.147 -15.174 -6.508 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.661 -15.129 -7.467 1.00 0.00 O ATOM 929 OD2 ASP A 59 0.884 -16.134 -6.225 1.00 0.00 O ATOM 0 H ASP A 59 -0.294 -11.513 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.937 -13.940 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.889 -13.230 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.699 -14.304 -4.631 1.00 0.00 H new ATOM 934 N GLU A 60 -1.714 -14.324 -3.107 1.00 0.00 N ATOM 935 CA GLU A 60 -1.870 -14.363 -1.658 1.00 0.00 C ATOM 936 C GLU A 60 -0.547 -14.150 -0.946 1.00 0.00 C ATOM 937 O GLU A 60 -0.449 -13.500 0.099 1.00 0.00 O ATOM 938 CB GLU A 60 -2.483 -15.704 -1.229 1.00 0.00 C ATOM 939 CG GLU A 60 -3.382 -15.515 -0.001 1.00 0.00 C ATOM 940 CD GLU A 60 -4.066 -16.828 0.374 1.00 0.00 C ATOM 941 OE1 GLU A 60 -4.836 -17.339 -0.473 1.00 0.00 O ATOM 942 OE2 GLU A 60 -3.780 -17.324 1.487 1.00 0.00 O ATOM 0 H GLU A 60 -1.962 -15.195 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.538 -13.549 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.063 -16.125 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.690 -16.417 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.788 -15.156 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.134 -14.754 -0.208 1.00 0.00 H new ATOM 949 N LYS A 61 0.529 -14.657 -1.554 1.00 0.00 N ATOM 950 CA LYS A 61 1.852 -14.451 -1.044 1.00 0.00 C ATOM 951 C LYS A 61 2.338 -13.062 -1.371 1.00 0.00 C ATOM 952 O LYS A 61 3.172 -12.582 -0.637 1.00 0.00 O ATOM 953 CB LYS A 61 2.822 -15.486 -1.620 1.00 0.00 C ATOM 954 CG LYS A 61 2.436 -16.874 -1.090 1.00 0.00 C ATOM 955 CD LYS A 61 2.229 -17.861 -2.248 1.00 0.00 C ATOM 956 CE LYS A 61 1.263 -18.981 -1.839 1.00 0.00 C ATOM 957 NZ LYS A 61 1.901 -19.900 -0.877 1.00 0.00 N ATOM 0 H LYS A 61 0.490 -15.215 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 61 1.815 -14.567 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.784 -15.474 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.846 -15.244 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.216 -17.245 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.522 -16.802 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.835 -17.333 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.187 -18.290 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.366 -18.549 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.947 -19.535 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.229 -20.649 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.744 -20.327 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.181 -19.372 -0.026 1.00 0.00 H new ATOM 971 N CYS A 62 1.839 -12.390 -2.399 1.00 0.00 N ATOM 972 CA CYS A 62 2.106 -11.003 -2.682 1.00 0.00 C ATOM 973 C CYS A 62 1.127 -10.066 -1.967 1.00 0.00 C ATOM 974 O CYS A 62 1.061 -8.864 -2.222 1.00 0.00 O ATOM 975 CB CYS A 62 2.059 -10.801 -4.186 1.00 0.00 C ATOM 976 SG CYS A 62 3.056 -11.950 -5.162 1.00 0.00 S ATOM 0 H CYS A 62 1.214 -12.821 -3.080 1.00 0.00 H new ATOM 0 HA CYS A 62 3.096 -10.750 -2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.022 -10.880 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.386 -9.785 -4.408 1.00 0.00 H new ATOM 981 N MET A 63 0.371 -10.580 -1.012 1.00 0.00 N ATOM 982 CA MET A 63 -0.604 -9.824 -0.289 1.00 0.00 C ATOM 983 C MET A 63 -0.177 -9.725 1.160 1.00 0.00 C ATOM 984 O MET A 63 -0.871 -10.106 2.065 1.00 0.00 O ATOM 985 CB MET A 63 -1.971 -10.468 -0.461 1.00 0.00 C ATOM 986 CG MET A 63 -2.706 -10.017 -1.715 1.00 0.00 C ATOM 987 SD MET A 63 -3.633 -11.324 -2.516 1.00 0.00 S ATOM 988 CE MET A 63 -4.483 -12.043 -1.098 1.00 0.00 C ATOM 0 H MET A 63 0.429 -11.556 -0.721 1.00 0.00 H new ATOM 0 HA MET A 63 -0.679 -8.808 -0.677 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.852 -11.551 -0.490 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.583 -10.238 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.388 -9.207 -1.454 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.983 -9.610 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.886 -13.018 -1.371 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.780 -12.159 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.297 -11.387 -0.791 1.00 0.00 H new ATOM 998 N CYS A 64 0.996 -9.216 1.448 1.00 0.00 N ATOM 999 CA CYS A 64 1.512 -9.111 2.798 1.00 0.00 C ATOM 1000 C CYS A 64 2.923 -8.570 2.712 1.00 0.00 C ATOM 1001 O CYS A 64 3.200 -7.493 3.245 1.00 0.00 O ATOM 1002 CB CYS A 64 1.505 -10.465 3.561 1.00 0.00 C ATOM 1003 SG CYS A 64 2.948 -10.798 4.661 1.00 0.00 S ATOM 0 H CYS A 64 1.634 -8.855 0.739 1.00 0.00 H new ATOM 0 HA CYS A 64 0.862 -8.444 3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.598 -10.512 4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.442 -11.269 2.828 1.00 0.00 H new ATOM 1008 N PRO A 65 3.816 -9.287 1.995 1.00 0.00 N ATOM 1009 CA PRO A 65 5.195 -8.884 1.843 1.00 0.00 C ATOM 1010 C PRO A 65 5.312 -7.779 0.822 1.00 0.00 C ATOM 1011 O PRO A 65 6.105 -6.854 0.949 1.00 0.00 O ATOM 1012 CB PRO A 65 5.964 -10.119 1.388 1.00 0.00 C ATOM 1013 CG PRO A 65 4.915 -11.081 0.853 1.00 0.00 C ATOM 1014 CD PRO A 65 3.569 -10.548 1.297 1.00 0.00 C ATOM 0 HA PRO A 65 5.596 -8.499 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.692 -9.865 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.517 -10.563 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.967 -11.145 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.079 -12.087 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.914 -10.392 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.070 -11.261 1.954 1.00 0.00 H new ATOM 1022 N ALA A 66 4.476 -7.810 -0.217 1.00 0.00 N ATOM 1023 CA ALA A 66 4.463 -6.796 -1.214 1.00 0.00 C ATOM 1024 C ALA A 66 3.923 -5.517 -0.644 1.00 0.00 C ATOM 1025 O ALA A 66 4.575 -4.507 -0.853 1.00 0.00 O ATOM 1026 CB ALA A 66 3.616 -7.262 -2.375 1.00 0.00 C ATOM 0 H ALA A 66 3.794 -8.553 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 66 5.479 -6.607 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.599 -6.491 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.037 -8.179 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.600 -7.453 -2.030 1.00 0.00 H new ATOM 1032 N ILE A 67 2.803 -5.552 0.089 1.00 0.00 N ATOM 1033 CA ILE A 67 2.211 -4.385 0.728 1.00 0.00 C ATOM 1034 C ILE A 67 3.296 -3.451 1.249 1.00 0.00 C ATOM 1035 O ILE A 67 3.258 -2.264 0.989 1.00 0.00 O ATOM 1036 CB ILE A 67 1.273 -4.818 1.863 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.049 -5.338 1.271 1.00 0.00 C ATOM 1038 CG2 ILE A 67 1.090 -3.670 2.874 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.252 -4.907 2.100 1.00 0.00 C ATOM 0 H ILE A 67 2.278 -6.411 0.254 1.00 0.00 H new ATOM 0 HA ILE A 67 1.625 -3.842 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 67 1.712 -5.643 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.160 -4.969 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.018 -6.426 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.422 -3.992 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.058 -3.400 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.660 -2.805 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.164 -5.295 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.155 -5.298 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.299 -3.819 2.134 1.00 0.00 H new ATOM 1051 N MET A 68 4.325 -3.991 1.897 1.00 0.00 N ATOM 1052 CA MET A 68 5.473 -3.233 2.315 1.00 0.00 C ATOM 1053 C MET A 68 6.005 -2.299 1.240 1.00 0.00 C ATOM 1054 O MET A 68 5.948 -1.101 1.449 1.00 0.00 O ATOM 1055 CB MET A 68 6.603 -4.155 2.738 1.00 0.00 C ATOM 1056 CG MET A 68 6.194 -4.997 3.930 1.00 0.00 C ATOM 1057 SD MET A 68 6.937 -6.623 3.882 1.00 0.00 S ATOM 1058 CE MET A 68 6.497 -7.237 5.504 1.00 0.00 C ATOM 0 H MET A 68 4.374 -4.980 2.143 1.00 0.00 H new ATOM 0 HA MET A 68 5.129 -2.627 3.153 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.879 -4.804 1.907 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.485 -3.565 2.989 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.487 -4.491 4.850 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.109 -5.094 3.951 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.270 -7.920 5.856 1.00 0.00 H new ATOM 0 HE2 MET A 68 6.408 -6.401 6.198 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.545 -7.764 5.447 1.00 0.00 H new ATOM 1068 N MET A 69 6.448 -2.834 0.103 1.00 0.00 N ATOM 1069 CA MET A 69 6.844 -2.078 -1.044 1.00 0.00 C ATOM 1070 C MET A 69 5.762 -1.189 -1.630 1.00 0.00 C ATOM 1071 O MET A 69 6.066 -0.131 -2.167 1.00 0.00 O ATOM 1072 CB MET A 69 7.264 -3.016 -2.168 1.00 0.00 C ATOM 1073 CG MET A 69 8.678 -3.517 -1.951 1.00 0.00 C ATOM 1074 SD MET A 69 9.866 -2.164 -2.079 1.00 0.00 S ATOM 1075 CE MET A 69 11.316 -3.019 -1.484 1.00 0.00 C ATOM 0 H MET A 69 6.537 -3.841 -0.031 1.00 0.00 H new ATOM 0 HA MET A 69 7.653 -1.445 -0.680 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.578 -3.861 -2.218 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.200 -2.497 -3.124 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.756 -3.984 -0.969 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.914 -4.284 -2.688 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.653 -2.560 -0.555 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.073 -4.066 -1.304 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.108 -2.954 -2.230 1.00 0.00 H new ATOM 1085 N MET A 70 4.502 -1.583 -1.563 1.00 0.00 N ATOM 1086 CA MET A 70 3.422 -0.732 -2.005 1.00 0.00 C ATOM 1087 C MET A 70 3.492 0.639 -1.363 1.00 0.00 C ATOM 1088 O MET A 70 3.079 1.621 -1.965 1.00 0.00 O ATOM 1089 CB MET A 70 2.089 -1.401 -1.677 1.00 0.00 C ATOM 1090 CG MET A 70 1.071 -0.515 -0.955 1.00 0.00 C ATOM 1091 SD MET A 70 0.110 -1.375 0.267 1.00 0.00 S ATOM 1092 CE MET A 70 -0.745 -0.002 1.040 1.00 0.00 C ATOM 0 H MET A 70 4.206 -2.491 -1.205 1.00 0.00 H new ATOM 0 HA MET A 70 3.512 -0.592 -3.082 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.642 -1.757 -2.605 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.284 -2.278 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.597 0.310 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.397 -0.078 -1.692 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.490 0.036 2.099 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.445 0.930 0.561 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.821 -0.136 0.931 1.00 0.00 H new ATOM 1102 N LEU A 71 3.884 0.695 -0.084 1.00 0.00 N ATOM 1103 CA LEU A 71 3.967 1.921 0.661 1.00 0.00 C ATOM 1104 C LEU A 71 5.382 2.482 0.561 1.00 0.00 C ATOM 1105 O LEU A 71 5.792 3.318 1.347 1.00 0.00 O ATOM 1106 CB LEU A 71 3.559 1.716 2.127 1.00 0.00 C ATOM 1107 CG LEU A 71 2.150 1.148 2.299 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.215 -0.285 2.821 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.308 1.983 3.249 1.00 0.00 C ATOM 0 H LEU A 71 4.152 -0.129 0.454 1.00 0.00 H new ATOM 0 HA LEU A 71 3.267 2.638 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.273 1.044 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.623 2.670 2.650 1.00 0.00 H new ATOM 0 HG LEU A 71 1.679 1.168 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.204 -0.676 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.764 -0.906 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.723 -0.298 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.316 1.541 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.784 2.010 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.219 2.998 2.860 1.00 0.00 H new ATOM 1121 N ASN A 72 6.151 2.019 -0.409 1.00 0.00 N ATOM 1122 CA ASN A 72 7.483 2.458 -0.715 1.00 0.00 C ATOM 1123 C ASN A 72 7.547 3.091 -2.080 1.00 0.00 C ATOM 1124 O ASN A 72 8.608 3.617 -2.439 1.00 0.00 O ATOM 1125 CB ASN A 72 8.458 1.270 -0.679 1.00 0.00 C ATOM 1126 CG ASN A 72 8.587 0.641 0.685 1.00 0.00 C ATOM 1127 OD1 ASN A 72 7.830 0.824 1.616 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.688 -0.022 0.934 1.00 0.00 N ATOM 0 H ASN A 72 5.833 1.281 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 72 7.765 3.196 0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.124 0.514 -1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.441 1.606 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.878 -0.359 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.356 -0.201 0.184 1.00 0.00 H new ATOM 1135 N GLU A 73 6.460 2.980 -2.853 1.00 0.00 N ATOM 1136 CA GLU A 73 6.377 3.542 -4.171 1.00 0.00 C ATOM 1137 C GLU A 73 6.646 5.052 -4.141 1.00 0.00 C ATOM 1138 O GLU A 73 6.759 5.674 -3.070 1.00 0.00 O ATOM 1139 CB GLU A 73 5.004 3.208 -4.802 1.00 0.00 C ATOM 1140 CG GLU A 73 5.181 2.314 -6.048 1.00 0.00 C ATOM 1141 CD GLU A 73 4.165 2.682 -7.132 1.00 0.00 C ATOM 1142 OE1 GLU A 73 2.966 2.435 -6.874 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.607 3.238 -8.162 1.00 0.00 O ATOM 0 H GLU A 73 5.615 2.489 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 73 7.150 3.097 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.375 2.701 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.491 4.129 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.192 2.424 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.059 1.267 -5.770 1.00 0.00 H new ATOM 1150 N PRO A 74 6.682 5.706 -5.314 1.00 0.00 N ATOM 1151 CA PRO A 74 6.849 7.133 -5.421 1.00 0.00 C ATOM 1152 C PRO A 74 5.610 7.900 -4.976 1.00 0.00 C ATOM 1153 O PRO A 74 5.294 8.978 -5.476 1.00 0.00 O ATOM 1154 CB PRO A 74 7.207 7.389 -6.884 1.00 0.00 C ATOM 1155 CG PRO A 74 6.724 6.167 -7.672 1.00 0.00 C ATOM 1156 CD PRO A 74 6.461 5.118 -6.626 1.00 0.00 C ATOM 0 HA PRO A 74 7.632 7.493 -4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.728 8.298 -7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.282 7.526 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.822 6.394 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.477 5.834 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.438 4.750 -6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.121 4.263 -6.773 1.00 0.00 H new ATOM 1164 N MET A 75 4.907 7.398 -3.959 1.00 0.00 N ATOM 1165 CA MET A 75 3.751 8.013 -3.417 1.00 0.00 C ATOM 1166 C MET A 75 3.537 7.612 -1.994 1.00 0.00 C ATOM 1167 O MET A 75 2.413 7.732 -1.529 1.00 0.00 O ATOM 1168 CB MET A 75 2.533 7.614 -4.264 1.00 0.00 C ATOM 1169 CG MET A 75 1.522 8.759 -4.298 1.00 0.00 C ATOM 1170 SD MET A 75 1.542 9.585 -5.902 1.00 0.00 S ATOM 1171 CE MET A 75 1.737 11.284 -5.361 1.00 0.00 C ATOM 0 H MET A 75 5.155 6.525 -3.494 1.00 0.00 H new ATOM 0 HA MET A 75 3.886 9.094 -3.438 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.850 7.367 -5.277 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.068 6.720 -3.849 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.523 8.374 -4.095 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.753 9.477 -3.511 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.769 11.941 -6.230 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.896 11.563 -4.726 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.665 11.382 -4.797 1.00 0.00 H new ATOM 1181 N TRP A 76 4.573 7.132 -1.290 1.00 0.00 N ATOM 1182 CA TRP A 76 4.503 6.685 0.081 1.00 0.00 C ATOM 1183 C TRP A 76 5.857 6.791 0.749 1.00 0.00 C ATOM 1184 O TRP A 76 6.694 5.894 0.693 1.00 0.00 O ATOM 1185 CB TRP A 76 3.906 5.275 0.128 1.00 0.00 C ATOM 1186 CG TRP A 76 2.545 5.085 -0.443 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.255 4.409 -1.578 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.316 5.682 0.007 1.00 0.00 C ATOM 1189 NE1 TRP A 76 0.892 4.536 -1.832 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.288 5.343 -0.898 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.017 6.550 1.048 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -1.017 5.778 -0.748 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.288 7.016 1.237 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.291 6.615 0.341 1.00 0.00 C ATOM 0 H TRP A 76 5.509 7.048 -1.687 1.00 0.00 H new ATOM 0 HA TRP A 76 3.840 7.333 0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.587 4.604 -0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.881 4.955 1.170 1.00 0.00 H new ATOM 0 HD1 TRP A 76 2.962 3.863 -2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.406 4.089 -2.609 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.801 6.869 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.791 5.485 -1.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.521 7.675 2.061 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.302 6.961 0.496 1.00 0.00 H new ATOM 1205 N ILE A 77 6.143 7.966 1.332 1.00 0.00 N ATOM 1206 CA ILE A 77 7.460 8.258 1.881 1.00 0.00 C ATOM 1207 C ILE A 77 7.380 8.287 3.378 1.00 0.00 C ATOM 1208 O ILE A 77 6.910 7.354 3.998 1.00 0.00 O ATOM 1209 CB ILE A 77 8.090 9.529 1.284 1.00 0.00 C ATOM 1210 CG1 ILE A 77 7.883 9.635 -0.224 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.584 9.601 1.663 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.155 8.300 -0.931 1.00 0.00 C ATOM 0 H ILE A 77 5.471 8.727 1.431 1.00 0.00 H new ATOM 0 HA ILE A 77 8.141 7.458 1.591 1.00 0.00 H new ATOM 0 HB ILE A 77 7.577 10.389 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.861 9.954 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.543 10.402 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.024 10.503 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.683 9.626 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.101 8.725 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.997 8.417 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.185 7.994 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.477 7.539 -0.545 1.00 0.00 H new ATOM 1224 N ARG A 78 7.769 9.364 4.036 1.00 0.00 N ATOM 1225 CA ARG A 78 7.644 9.512 5.461 1.00 0.00 C ATOM 1226 C ARG A 78 6.231 9.867 5.876 1.00 0.00 C ATOM 1227 O ARG A 78 6.024 10.391 6.957 1.00 0.00 O ATOM 1228 CB ARG A 78 8.634 10.566 5.956 1.00 0.00 C ATOM 1229 CG ARG A 78 10.026 10.372 5.343 1.00 0.00 C ATOM 1230 CD ARG A 78 10.600 8.988 5.681 1.00 0.00 C ATOM 1231 NE ARG A 78 11.010 8.932 7.091 1.00 0.00 N ATOM 1232 CZ ARG A 78 12.119 9.457 7.585 1.00 0.00 C ATOM 1233 NH1 ARG A 78 12.978 10.057 6.804 1.00 0.00 N ATOM 1234 NH2 ARG A 78 12.380 9.387 8.857 1.00 0.00 N ATOM 0 H ARG A 78 8.189 10.173 3.578 1.00 0.00 H new ATOM 0 HA ARG A 78 7.876 8.551 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.262 11.560 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.705 10.516 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.968 10.489 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.699 11.146 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.853 8.219 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.455 8.775 5.039 1.00 0.00 H new ATOM 0 HE ARG A 78 10.389 8.449 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.796 10.124 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.830 10.458 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.726 8.923 9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.239 9.796 9.225 1.00 0.00 H new ATOM 1248 N MET A 79 5.269 9.660 4.992 1.00 0.00 N ATOM 1249 CA MET A 79 3.875 9.977 5.192 1.00 0.00 C ATOM 1250 C MET A 79 3.062 8.719 5.360 1.00 0.00 C ATOM 1251 O MET A 79 2.051 8.691 6.071 1.00 0.00 O ATOM 1252 CB MET A 79 3.338 10.759 3.989 1.00 0.00 C ATOM 1253 CG MET A 79 4.078 10.419 2.690 1.00 0.00 C ATOM 1254 SD MET A 79 3.218 11.080 1.259 1.00 0.00 S ATOM 1255 CE MET A 79 2.623 9.526 0.610 1.00 0.00 C ATOM 0 H MET A 79 5.452 9.248 4.077 1.00 0.00 H new ATOM 0 HA MET A 79 3.791 10.582 6.095 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.276 10.545 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.427 11.827 4.185 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.089 10.823 2.728 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.171 9.337 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.111 9.699 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.465 8.853 0.449 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.929 9.077 1.321 1.00 0.00 H new ATOM 1265 N ARG A 80 3.532 7.640 4.726 1.00 0.00 N ATOM 1266 CA ARG A 80 2.921 6.363 4.881 1.00 0.00 C ATOM 1267 C ARG A 80 3.033 5.844 6.283 1.00 0.00 C ATOM 1268 O ARG A 80 2.222 5.017 6.621 1.00 0.00 O ATOM 1269 CB ARG A 80 3.506 5.276 3.990 1.00 0.00 C ATOM 1270 CG ARG A 80 5.019 5.287 4.069 1.00 0.00 C ATOM 1271 CD ARG A 80 5.640 3.931 4.269 1.00 0.00 C ATOM 1272 NE ARG A 80 7.105 3.997 4.281 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.906 2.971 4.487 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.429 1.792 4.767 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.200 3.129 4.485 1.00 0.00 N ATOM 0 H ARG A 80 4.339 7.650 4.102 1.00 0.00 H new ATOM 0 HA ARG A 80 1.885 6.554 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.126 4.302 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.188 5.431 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.416 5.723 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.323 5.937 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.288 3.506 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.313 3.261 3.474 1.00 0.00 H new ATOM 0 HE ARG A 80 7.537 4.906 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.421 1.652 4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.064 1.009 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.601 4.053 4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.812 2.329 4.645 1.00 0.00 H new ATOM 1289 N ASP A 81 3.981 6.261 7.087 1.00 0.00 N ATOM 1290 CA ASP A 81 4.109 5.853 8.480 1.00 0.00 C ATOM 1291 C ASP A 81 2.779 5.863 9.226 1.00 0.00 C ATOM 1292 O ASP A 81 2.500 4.996 10.054 1.00 0.00 O ATOM 1293 CB ASP A 81 5.033 6.838 9.191 1.00 0.00 C ATOM 1294 CG ASP A 81 5.930 6.173 10.231 1.00 0.00 C ATOM 1295 OD1 ASP A 81 6.291 4.995 10.018 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.337 6.909 11.153 1.00 0.00 O ATOM 0 H ASP A 81 4.708 6.911 6.790 1.00 0.00 H new ATOM 0 HA ASP A 81 4.497 4.834 8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.656 7.342 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.431 7.606 9.677 1.00 0.00 H new ATOM 1301 N GLN A 82 1.883 6.778 8.827 1.00 0.00 N ATOM 1302 CA GLN A 82 0.536 6.804 9.286 1.00 0.00 C ATOM 1303 C GLN A 82 -0.447 5.938 8.497 1.00 0.00 C ATOM 1304 O GLN A 82 -1.245 5.176 9.063 1.00 0.00 O ATOM 1305 CB GLN A 82 0.074 8.247 9.273 1.00 0.00 C ATOM 1306 CG GLN A 82 -0.826 8.509 10.493 1.00 0.00 C ATOM 1307 CD GLN A 82 -1.008 10.000 10.751 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -2.096 10.518 10.930 1.00 0.00 O ATOM 1309 NE2 GLN A 82 0.072 10.743 10.781 1.00 0.00 N ATOM 0 H GLN A 82 2.104 7.522 8.165 1.00 0.00 H new ATOM 0 HA GLN A 82 0.538 6.370 10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.935 8.916 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.472 8.457 8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.800 8.046 10.333 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.390 8.038 11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.987 10.318 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.003 11.746 10.953 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.378 5.994 7.169 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.190 5.202 6.278 1.00 0.00 C ATOM 1320 C VAL A 83 -0.889 3.719 6.456 1.00 0.00 C ATOM 1321 O VAL A 83 -1.669 2.877 6.078 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.030 5.641 4.806 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.851 7.159 4.665 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.125 4.943 4.120 1.00 0.00 C ATOM 0 H VAL A 83 0.267 6.614 6.679 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.234 5.371 6.542 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.959 5.349 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.743 7.416 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.723 7.668 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.040 7.472 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.196 5.286 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.053 5.174 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.041 3.866 4.134 1.00 0.00 H new ATOM 1334 N MET A 84 0.227 3.360 7.086 1.00 0.00 N ATOM 1335 CA MET A 84 0.712 2.055 7.312 1.00 0.00 C ATOM 1336 C MET A 84 -0.188 1.395 8.311 1.00 0.00 C ATOM 1337 O MET A 84 -0.728 0.337 7.996 1.00 0.00 O ATOM 1338 CB MET A 84 2.139 2.078 7.879 1.00 0.00 C ATOM 1339 CG MET A 84 3.107 1.379 6.934 1.00 0.00 C ATOM 1340 SD MET A 84 4.479 0.630 7.832 1.00 0.00 S ATOM 1341 CE MET A 84 5.596 2.049 7.848 1.00 0.00 C ATOM 0 H MET A 84 0.854 4.063 7.477 1.00 0.00 H new ATOM 0 HA MET A 84 0.729 1.515 6.365 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.457 3.109 8.035 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.156 1.588 8.853 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.577 0.611 6.370 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.493 2.097 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.495 1.811 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.099 2.909 7.398 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.870 2.285 8.876 1.00 0.00 H new ATOM 1351 N SER A 85 -0.417 2.035 9.466 1.00 0.00 N ATOM 1352 CA SER A 85 -1.333 1.528 10.462 1.00 0.00 C ATOM 1353 C SER A 85 -2.766 1.537 9.957 1.00 0.00 C ATOM 1354 O SER A 85 -3.661 1.010 10.606 1.00 0.00 O ATOM 1355 CB SER A 85 -1.263 2.375 11.736 1.00 0.00 C ATOM 1356 OG SER A 85 -1.847 1.664 12.824 1.00 0.00 O ATOM 0 H SER A 85 0.032 2.914 9.723 1.00 0.00 H new ATOM 0 HA SER A 85 -1.036 0.501 10.676 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.225 2.619 11.965 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.786 3.319 11.585 1.00 0.00 H new ATOM 0 HG SER A 85 -2.629 1.166 12.507 1.00 0.00 H new ATOM 1362 N MET A 86 -3.026 2.124 8.792 1.00 0.00 N ATOM 1363 CA MET A 86 -4.316 2.148 8.172 1.00 0.00 C ATOM 1364 C MET A 86 -4.457 1.096 7.095 1.00 0.00 C ATOM 1365 O MET A 86 -5.441 0.360 7.050 1.00 0.00 O ATOM 1366 CB MET A 86 -4.531 3.527 7.579 1.00 0.00 C ATOM 1367 CG MET A 86 -4.921 4.549 8.636 1.00 0.00 C ATOM 1368 SD MET A 86 -6.465 4.069 9.437 1.00 0.00 S ATOM 1369 CE MET A 86 -6.472 5.259 10.780 1.00 0.00 C ATOM 0 H MET A 86 -2.311 2.607 8.249 1.00 0.00 H new ATOM 0 HA MET A 86 -5.068 1.926 8.929 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.619 3.853 7.079 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.310 3.477 6.819 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.129 4.632 9.380 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.032 5.532 8.177 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.363 5.114 11.390 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.584 5.118 11.396 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.473 6.269 10.371 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.404 0.864 6.322 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.327 -0.128 5.297 1.00 0.00 C ATOM 1381 C ALA A 87 -2.827 -1.433 5.887 1.00 0.00 C ATOM 1382 O ALA A 87 -2.218 -2.244 5.208 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.454 0.382 4.142 1.00 0.00 C ATOM 0 H ALA A 87 -2.541 1.401 6.411 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.316 -0.323 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.399 -0.379 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.891 1.292 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.451 0.596 4.511 1.00 0.00 H new ATOM 1389 N HIS A 88 -3.015 -1.652 7.185 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.624 -2.869 7.831 1.00 0.00 C ATOM 1391 C HIS A 88 -3.840 -3.704 8.127 1.00 0.00 C ATOM 1392 O HIS A 88 -3.729 -4.906 8.174 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.837 -2.553 9.102 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.648 -2.385 10.373 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -3.790 -1.646 10.526 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -2.333 -2.965 11.569 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -4.138 -1.727 11.870 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -3.257 -2.555 12.467 1.00 0.00 N flip ATOM 0 H HIS A 88 -3.449 -0.973 7.811 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.976 -3.443 7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.112 -3.351 9.262 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.271 -1.637 8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.502 -3.627 11.761 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.963 -1.220 12.348 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.284 -2.831 13.449 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.991 -3.078 8.351 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.244 -3.734 8.599 1.00 0.00 C ATOM 1409 C ASN A 89 -7.132 -3.658 7.392 1.00 0.00 C ATOM 1410 O ASN A 89 -7.972 -4.513 7.256 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.980 -3.078 9.764 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.592 -3.741 11.068 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -5.357 -4.179 11.165 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -7.316 -3.785 12.034 1.00 0.00 N flip ATOM 0 H ASN A 89 -5.066 -2.061 8.363 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.020 -4.774 8.836 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.740 -2.015 9.803 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.057 -3.157 9.614 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.276 -3.447 11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.967 -4.160 12.916 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.923 -2.688 6.504 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.619 -2.601 5.249 1.00 0.00 C ATOM 1423 C LEU A 90 -7.377 -3.846 4.377 1.00 0.00 C ATOM 1424 O LEU A 90 -8.326 -4.440 3.875 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.191 -1.322 4.507 1.00 0.00 C ATOM 1426 CG LEU A 90 -8.014 -0.103 4.919 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.289 1.177 4.491 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.392 -0.157 4.267 1.00 0.00 C ATOM 0 H LEU A 90 -6.252 -1.934 6.651 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.689 -2.556 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.137 -1.128 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.292 -1.478 3.433 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.135 -0.105 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.878 2.045 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.312 1.221 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.160 1.177 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.971 0.716 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.281 -0.164 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.910 -1.062 4.585 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.108 -4.260 4.194 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.789 -5.436 3.437 1.00 0.00 C ATOM 1442 C PRO A 91 -6.096 -6.697 4.204 1.00 0.00 C ATOM 1443 O PRO A 91 -6.484 -7.698 3.622 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.311 -5.351 3.099 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.731 -4.364 4.085 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.897 -3.666 4.717 1.00 0.00 C ATOM 0 HA PRO A 91 -6.397 -5.480 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.831 -6.325 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.161 -5.016 2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.129 -4.874 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.077 -3.651 3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.860 -3.767 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.869 -2.599 4.495 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.937 -6.689 5.523 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.275 -7.825 6.345 1.00 0.00 C ATOM 1456 C ILE A 92 -7.767 -8.083 6.352 1.00 0.00 C ATOM 1457 O ILE A 92 -8.152 -9.238 6.232 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.772 -7.576 7.765 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.288 -7.926 7.858 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.616 -8.328 8.799 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.857 -8.490 9.205 1.00 0.00 C ATOM 0 H ILE A 92 -5.570 -5.892 6.043 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.796 -8.712 5.930 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.881 -6.517 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.049 -8.652 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.702 -7.031 7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.230 -8.128 9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.651 -7.993 8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.568 -9.398 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.790 -8.710 9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.060 -7.759 9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.412 -9.405 9.411 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.584 -7.041 6.468 1.00 0.00 N ATOM 1474 CA GLU A 93 -10.035 -7.170 6.448 1.00 0.00 C ATOM 1475 C GLU A 93 -10.524 -7.701 5.113 1.00 0.00 C ATOM 1476 O GLU A 93 -11.636 -8.208 4.997 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.702 -5.808 6.715 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.948 -5.596 8.217 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.444 -5.453 8.493 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -13.154 -6.473 8.346 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.859 -4.326 8.832 1.00 0.00 O ATOM 0 H GLU A 93 -8.257 -6.081 6.579 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.308 -7.876 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.069 -5.008 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.648 -5.752 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.546 -6.438 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.421 -4.704 8.557 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.675 -7.627 4.081 1.00 0.00 N ATOM 1489 CA CYS A 94 -9.949 -8.239 2.823 1.00 0.00 C ATOM 1490 C CYS A 94 -9.403 -9.646 2.710 1.00 0.00 C ATOM 1491 O CYS A 94 -9.740 -10.304 1.729 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.370 -7.367 1.715 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.493 -6.110 1.079 1.00 0.00 S ATOM 0 H CYS A 94 -8.783 -7.134 4.119 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.032 -8.322 2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.472 -6.876 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.061 -8.009 0.890 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.554 -10.092 3.652 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.908 -11.376 3.735 1.00 0.00 C ATOM 1500 C ASN A 95 -6.635 -11.362 2.876 1.00 0.00 C ATOM 1501 O ASN A 95 -6.177 -12.365 2.339 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.897 -12.471 3.289 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.603 -13.799 3.930 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.451 -14.393 4.574 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.382 -14.286 3.804 1.00 0.00 N ATOM 0 H ASN A 95 -8.291 -9.495 4.436 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.612 -11.592 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.912 -12.165 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.855 -12.576 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.137 -15.171 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.683 -13.777 3.262 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.083 -10.197 2.602 1.00 0.00 N ATOM 1513 CA LEU A 96 -4.947 -10.063 1.751 1.00 0.00 C ATOM 1514 C LEU A 96 -3.751 -10.469 2.574 1.00 0.00 C ATOM 1515 O LEU A 96 -3.192 -11.534 2.351 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.867 -8.661 1.154 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.205 -8.163 0.598 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.166 -6.662 0.476 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.556 -8.797 -0.736 1.00 0.00 C ATOM 0 H LEU A 96 -6.425 -9.312 2.976 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.004 -10.710 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.518 -7.967 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.125 -8.655 0.356 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.987 -8.460 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.117 -6.304 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.993 -6.222 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.360 -6.373 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.513 -8.408 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.782 -8.560 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.625 -9.878 -0.618 1.00 0.00 H new ATOM 1531 N MET A 97 -3.467 -9.683 3.613 1.00 0.00 N ATOM 1532 CA MET A 97 -2.345 -9.902 4.492 1.00 0.00 C ATOM 1533 C MET A 97 -2.748 -10.347 5.857 1.00 0.00 C ATOM 1534 O MET A 97 -1.932 -10.184 6.765 1.00 0.00 O ATOM 1535 CB MET A 97 -1.461 -8.648 4.539 1.00 0.00 C ATOM 1536 CG MET A 97 -2.053 -7.557 5.411 1.00 0.00 C ATOM 1537 SD MET A 97 -0.973 -6.133 5.562 1.00 0.00 S ATOM 1538 CE MET A 97 -0.354 -6.410 7.220 1.00 0.00 C ATOM 0 H MET A 97 -4.026 -8.867 3.861 1.00 0.00 H new ATOM 0 HA MET A 97 -1.764 -10.726 4.078 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.474 -8.916 4.917 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.322 -8.266 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 97 -3.009 -7.241 4.993 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.257 -7.960 6.403 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.042 -5.461 7.655 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.141 -6.850 7.833 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.498 -7.089 7.182 1.00 0.00 H new ATOM 1548 N SER A 98 -3.981 -10.867 6.006 1.00 0.00 N ATOM 1549 CA SER A 98 -4.562 -11.251 7.287 1.00 0.00 C ATOM 1550 C SER A 98 -3.530 -11.836 8.260 1.00 0.00 C ATOM 1551 O SER A 98 -3.034 -11.208 9.189 1.00 0.00 O ATOM 1552 CB SER A 98 -5.683 -12.253 7.073 1.00 0.00 C ATOM 1553 OG SER A 98 -6.205 -12.632 8.334 1.00 0.00 O ATOM 0 H SER A 98 -4.606 -11.032 5.217 1.00 0.00 H new ATOM 0 HA SER A 98 -4.952 -10.339 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.468 -11.815 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.310 -13.128 6.541 1.00 0.00 H new ATOM 0 HG SER A 98 -6.931 -13.278 8.207 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.055 -13.028 7.943 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.918 -13.592 8.613 1.00 0.00 C ATOM 1561 C GLN A 99 -1.197 -14.629 7.747 1.00 0.00 C ATOM 1562 O GLN A 99 -1.037 -15.790 8.126 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.468 -14.157 9.925 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.585 -13.726 11.090 1.00 0.00 C ATOM 1565 CD GLN A 99 -2.405 -13.519 12.345 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -3.467 -12.918 12.379 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -1.909 -14.006 13.455 1.00 0.00 N ATOM 0 H GLN A 99 -3.452 -13.623 7.215 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.145 -12.850 8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.488 -13.806 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.510 -15.245 9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.821 -14.482 11.271 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.065 -12.803 10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.022 -14.510 13.439 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.409 -13.881 14.335 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.816 -14.255 6.513 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.164 -15.175 5.605 1.00 0.00 C ATOM 1578 C PRO A 100 1.268 -15.410 6.043 1.00 0.00 C ATOM 1579 O PRO A 100 1.637 -16.532 6.398 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.246 -14.536 4.225 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.535 -13.060 4.473 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.917 -12.928 5.925 1.00 0.00 C ATOM 0 HA PRO A 100 -0.643 -16.154 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.687 -14.666 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.034 -14.994 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.341 -12.452 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.341 -12.710 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.255 -12.228 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.930 -12.538 6.023 1.00 0.00 H new ATOM 1590 N CYS A 101 2.124 -14.380 5.971 1.00 0.00 N ATOM 1591 CA CYS A 101 3.506 -14.486 6.367 1.00 0.00 C ATOM 1592 C CYS A 101 3.566 -14.567 7.883 1.00 0.00 C ATOM 1593 O CYS A 101 3.008 -13.706 8.570 1.00 0.00 O ATOM 1594 CB CYS A 101 4.298 -13.300 5.812 1.00 0.00 C ATOM 1595 SG CYS A 101 3.707 -12.639 4.202 1.00 0.00 S ATOM 0 H CYS A 101 1.861 -13.454 5.633 1.00 0.00 H new ATOM 0 HA CYS A 101 3.962 -15.388 5.958 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.275 -12.495 6.546 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.340 -13.601 5.701 1.00 0.00 H new ATOM 1600 N GLN A 102 4.207 -15.610 8.399 1.00 0.00 N ATOM 1601 CA GLN A 102 4.377 -15.808 9.826 1.00 0.00 C ATOM 1602 C GLN A 102 5.842 -15.947 10.174 1.00 0.00 C ATOM 1603 O GLN A 102 6.678 -15.796 9.285 1.00 0.00 O ATOM 1604 CB GLN A 102 3.568 -17.022 10.279 1.00 0.00 C ATOM 1605 CG GLN A 102 2.078 -16.813 10.001 1.00 0.00 C ATOM 1606 CD GLN A 102 1.220 -17.799 10.765 1.00 0.00 C ATOM 1607 OE1 GLN A 102 1.377 -18.029 11.956 1.00 0.00 O ATOM 1608 NE2 GLN A 102 0.263 -18.409 10.107 1.00 0.00 N ATOM 0 H GLN A 102 4.625 -16.346 7.830 1.00 0.00 H new ATOM 0 HA GLN A 102 4.002 -14.934 10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.919 -17.914 9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.724 -17.192 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.796 -15.797 10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.889 -16.918 8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.127 -18.221 9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.345 -19.071 10.589 1.00 0.00 H new ATOM 1617 N MET A 103 6.132 -16.167 11.461 1.00 0.00 N ATOM 1618 CA MET A 103 7.486 -16.397 11.934 1.00 0.00 C ATOM 1619 C MET A 103 8.235 -17.476 11.135 1.00 0.00 C ATOM 1620 O MET A 103 7.915 -18.655 11.376 1.00 0.00 O ATOM 1621 CB MET A 103 7.427 -16.753 13.429 1.00 0.00 C ATOM 1622 CG MET A 103 7.708 -15.546 14.324 1.00 0.00 C ATOM 1623 SD MET A 103 7.961 -16.046 16.042 1.00 0.00 S ATOM 1624 CE MET A 103 9.765 -16.062 16.065 1.00 0.00 C ATOM 1625 OXT MET A 103 9.123 -17.079 10.348 1.00 0.00 O ATOM 0 H MET A 103 5.428 -16.189 12.199 1.00 0.00 H new ATOM 0 HA MET A 103 8.057 -15.481 11.784 1.00 0.00 H new ATOM 0 HB2 MET A 103 6.443 -17.157 13.666 1.00 0.00 H new ATOM 0 HB3 MET A 103 8.153 -17.538 13.642 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.592 -15.020 13.962 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.875 -14.846 14.266 1.00 0.00 H new ATOM 0 HE1 MET A 103 10.114 -16.352 17.056 1.00 0.00 H new ATOM 0 HE2 MET A 103 10.132 -16.777 15.328 1.00 0.00 H new ATOM 0 HE3 MET A 103 10.141 -15.068 15.824 1.00 0.00 H new TER 1635 MET A 103