USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1079 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 126 TYR OH : rot -6:sc= 1.25 USER MOD Set 1.2: A 130 MET CE :methyl -163:sc= -2.08 (180deg=-2.35) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot -90:sc= 1.02 USER MOD Set 3.1: A 67 TYR OH : rot -107:sc= -1.04 USER MOD Set 3.2: A 72 GLN : amide:sc= 0.858 K(o=-0.18,f=-2.6) USER MOD Single : A 1 SER N :NH3+ 178:sc= 2.09 (180deg=2.02) USER MOD Single : A 1 SER OG : rot -35:sc= 1.22 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.328 USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0.958) USER MOD Single : A 14 SER OG : rot 180:sc= -0.123 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.05) USER MOD Single : A 20 SER OG : rot -77:sc= -0.197 USER MOD Single : A 21 HIS : no HD1:sc= -0.32 K(o=-0.32,f=-2.8!) USER MOD Single : A 29 THR OG1 : rot 56:sc= 1.18 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.74 (180deg=-0.815) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 174:sc= -1.62! USER MOD Single : A 40 ASN : amide:sc= -0.0295 K(o=-0.03,f=-1) USER MOD Single : A 47 CYS SG : rot 180:sc= -4.25! USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= 0.886 (180deg=-0.084) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= 1.71 (180deg=1.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.68) USER MOD Single : A 58 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.4!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.06 F(o=-1.3,f=0.06) USER MOD Single : A 62 LYS NZ :NH3+ 134:sc= -0.182 (180deg=-0.774) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.16) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= 0.865 (180deg=-0.375!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 84 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.8!) USER MOD Single : A 85 THR OG1 : rot 72:sc= 1.13 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -18:sc= 1.23 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 92 SER OG : rot 83:sc= 0.638 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 105 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.6) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 129:sc= -1.69! USER MOD Single : A 110 GLN :FLIP amide:sc=-0.000907 F(o=-1.3,f=-0.00091) USER MOD Single : A 112 MET CE :methyl -136:sc= -0.646 (180deg=-3.41) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 30:sc= 1.21 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0658 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -85:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 137.627 2.657 7.391 1.00 0.00 N ATOM 2 CA SER A 1 137.565 4.116 7.422 1.00 0.00 C ATOM 3 C SER A 1 138.874 4.739 6.879 1.00 0.00 C ATOM 4 O SER A 1 139.104 5.950 7.013 1.00 0.00 O ATOM 5 CB SER A 1 137.379 4.555 8.874 1.00 0.00 C ATOM 6 OG SER A 1 136.350 3.809 9.532 1.00 0.00 O ATOM 0 H1 SER A 1 136.751 2.264 7.791 1.00 0.00 H new ATOM 0 H2 SER A 1 137.733 2.335 6.408 1.00 0.00 H new ATOM 0 H3 SER A 1 138.440 2.332 7.952 1.00 0.00 H new ATOM 0 HA SER A 1 136.737 4.450 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 1 138.318 4.431 9.413 1.00 0.00 H new ATOM 0 HB3 SER A 1 137.132 5.616 8.903 1.00 0.00 H new ATOM 0 HG SER A 1 135.634 3.606 8.894 1.00 0.00 H new ATOM 14 N MET A 2 139.703 3.936 6.234 1.00 0.00 N ATOM 15 CA MET A 2 140.990 4.393 5.773 1.00 0.00 C ATOM 16 C MET A 2 141.026 4.311 4.256 1.00 0.00 C ATOM 17 O MET A 2 141.011 3.218 3.674 1.00 0.00 O ATOM 18 CB MET A 2 142.102 3.551 6.448 1.00 0.00 C ATOM 19 CG MET A 2 143.548 3.979 6.178 1.00 0.00 C ATOM 20 SD MET A 2 144.156 3.548 4.534 1.00 0.00 S ATOM 21 CE MET A 2 145.811 4.228 4.619 1.00 0.00 C ATOM 0 H MET A 2 139.500 2.960 6.020 1.00 0.00 H new ATOM 0 HA MET A 2 141.162 5.433 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 2 141.937 3.570 7.525 1.00 0.00 H new ATOM 0 HB3 MET A 2 141.988 2.516 6.126 1.00 0.00 H new ATOM 0 HG2 MET A 2 143.626 5.058 6.310 1.00 0.00 H new ATOM 0 HG3 MET A 2 144.196 3.519 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 2 146.328 4.047 3.677 1.00 0.00 H new ATOM 0 HE2 MET A 2 145.754 5.301 4.801 1.00 0.00 H new ATOM 0 HE3 MET A 2 146.359 3.751 5.431 1.00 0.00 H new ATOM 31 N VAL A 3 140.999 5.455 3.623 1.00 0.00 N ATOM 32 CA VAL A 3 140.997 5.542 2.180 1.00 0.00 C ATOM 33 C VAL A 3 141.679 6.839 1.745 1.00 0.00 C ATOM 34 O VAL A 3 141.543 7.867 2.408 1.00 0.00 O ATOM 35 CB VAL A 3 139.523 5.444 1.614 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.629 6.479 2.241 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.473 5.611 0.108 1.00 0.00 C ATOM 0 H VAL A 3 140.978 6.360 4.094 1.00 0.00 H new ATOM 0 HA VAL A 3 141.557 4.702 1.769 1.00 0.00 H new ATOM 0 HB VAL A 3 139.169 4.445 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.623 6.387 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.598 6.327 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.018 7.474 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.440 5.536 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.874 6.587 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.068 4.830 -0.365 1.00 0.00 H new ATOM 47 N SER A 4 142.451 6.773 0.693 1.00 0.00 N ATOM 48 CA SER A 4 143.102 7.931 0.140 1.00 0.00 C ATOM 49 C SER A 4 142.154 8.556 -0.885 1.00 0.00 C ATOM 50 O SER A 4 141.221 7.890 -1.325 1.00 0.00 O ATOM 51 CB SER A 4 144.385 7.469 -0.551 1.00 0.00 C ATOM 52 OG SER A 4 144.090 6.480 -1.539 1.00 0.00 O ATOM 0 H SER A 4 142.647 5.907 0.191 1.00 0.00 H new ATOM 0 HA SER A 4 143.346 8.661 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.882 8.320 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.076 7.061 0.186 1.00 0.00 H new ATOM 0 HG SER A 4 144.920 6.195 -1.974 1.00 0.00 H new ATOM 58 N PRO A 5 142.357 9.823 -1.297 1.00 0.00 N ATOM 59 CA PRO A 5 141.531 10.443 -2.338 1.00 0.00 C ATOM 60 C PRO A 5 141.664 9.687 -3.668 1.00 0.00 C ATOM 61 O PRO A 5 140.764 9.703 -4.495 1.00 0.00 O ATOM 62 CB PRO A 5 142.095 11.866 -2.466 1.00 0.00 C ATOM 63 CG PRO A 5 143.442 11.805 -1.841 1.00 0.00 C ATOM 64 CD PRO A 5 143.357 10.762 -0.768 1.00 0.00 C ATOM 0 HA PRO A 5 140.470 10.431 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.158 12.173 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.457 12.590 -1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.202 11.545 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.722 12.772 -1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.318 10.276 -0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.045 11.188 0.185 1.00 0.00 H new ATOM 72 N GLU A 6 142.784 8.988 -3.824 1.00 0.00 N ATOM 73 CA GLU A 6 143.061 8.191 -5.006 1.00 0.00 C ATOM 74 C GLU A 6 142.140 6.960 -4.986 1.00 0.00 C ATOM 75 O GLU A 6 141.467 6.639 -5.959 1.00 0.00 O ATOM 76 CB GLU A 6 144.533 7.751 -4.978 1.00 0.00 C ATOM 77 CG GLU A 6 145.264 7.818 -6.319 1.00 0.00 C ATOM 78 CD GLU A 6 144.663 6.957 -7.394 1.00 0.00 C ATOM 79 OE1 GLU A 6 144.902 5.741 -7.398 1.00 0.00 O ATOM 80 OE2 GLU A 6 143.972 7.480 -8.285 1.00 0.00 O ATOM 0 H GLU A 6 143.528 8.961 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 6 142.881 8.768 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 6 145.067 8.374 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.581 6.727 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.275 8.853 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 6 146.302 7.520 -6.169 1.00 0.00 H new ATOM 87 N GLU A 7 142.098 6.289 -3.865 1.00 0.00 N ATOM 88 CA GLU A 7 141.232 5.137 -3.704 1.00 0.00 C ATOM 89 C GLU A 7 139.761 5.593 -3.687 1.00 0.00 C ATOM 90 O GLU A 7 138.891 4.929 -4.220 1.00 0.00 O ATOM 91 CB GLU A 7 141.625 4.386 -2.421 1.00 0.00 C ATOM 92 CG GLU A 7 140.748 3.199 -2.039 1.00 0.00 C ATOM 93 CD GLU A 7 140.658 2.141 -3.101 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.701 1.690 -3.601 1.00 0.00 O ATOM 95 OE2 GLU A 7 139.541 1.668 -3.387 1.00 0.00 O ATOM 0 H GLU A 7 142.655 6.518 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 7 141.349 4.450 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.650 4.033 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.620 5.096 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.139 2.750 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.744 3.559 -1.813 1.00 0.00 H new ATOM 102 N ALA A 8 139.511 6.753 -3.113 1.00 0.00 N ATOM 103 CA ALA A 8 138.172 7.293 -3.062 1.00 0.00 C ATOM 104 C ALA A 8 137.647 7.664 -4.470 1.00 0.00 C ATOM 105 O ALA A 8 136.490 7.387 -4.773 1.00 0.00 O ATOM 106 CB ALA A 8 138.056 8.432 -2.037 1.00 0.00 C ATOM 0 H ALA A 8 140.221 7.339 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 8 137.509 6.507 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.034 8.811 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.312 8.057 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.739 9.237 -2.308 1.00 0.00 H new ATOM 112 N VAL A 9 138.496 8.269 -5.354 1.00 0.00 N ATOM 113 CA VAL A 9 138.063 8.508 -6.761 1.00 0.00 C ATOM 114 C VAL A 9 137.730 7.191 -7.453 1.00 0.00 C ATOM 115 O VAL A 9 136.877 7.154 -8.335 1.00 0.00 O ATOM 116 CB VAL A 9 139.047 9.338 -7.673 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.281 10.734 -7.156 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.361 8.624 -7.925 1.00 0.00 C ATOM 0 H VAL A 9 139.439 8.586 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 9 137.181 9.139 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 9 138.540 9.428 -8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.965 11.259 -7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.333 11.270 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.714 10.684 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.996 9.244 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.864 8.441 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 9 140.169 7.674 -8.423 1.00 0.00 H new ATOM 128 N LYS A 10 138.405 6.109 -7.046 1.00 0.00 N ATOM 129 CA LYS A 10 138.063 4.777 -7.547 1.00 0.00 C ATOM 130 C LYS A 10 136.617 4.436 -7.196 1.00 0.00 C ATOM 131 O LYS A 10 135.860 3.962 -8.030 1.00 0.00 O ATOM 132 CB LYS A 10 139.023 3.694 -7.016 1.00 0.00 C ATOM 133 CG LYS A 10 140.249 3.422 -7.883 1.00 0.00 C ATOM 134 CD LYS A 10 140.962 4.686 -8.293 1.00 0.00 C ATOM 135 CE LYS A 10 142.185 4.382 -9.115 1.00 0.00 C ATOM 136 NZ LYS A 10 142.735 5.605 -9.727 1.00 0.00 N ATOM 0 H LYS A 10 139.179 6.130 -6.382 1.00 0.00 H new ATOM 0 HA LYS A 10 138.170 4.796 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.360 3.988 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.466 2.764 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.940 2.780 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 10 139.944 2.876 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.284 5.319 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 10 141.249 5.249 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.942 3.915 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.932 3.664 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.657 5.393 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.082 5.951 -10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 142.855 6.335 -8.996 1.00 0.00 H new ATOM 150 N TRP A 11 136.222 4.751 -5.980 1.00 0.00 N ATOM 151 CA TRP A 11 134.850 4.508 -5.506 1.00 0.00 C ATOM 152 C TRP A 11 133.845 5.274 -6.353 1.00 0.00 C ATOM 153 O TRP A 11 132.712 4.837 -6.543 1.00 0.00 O ATOM 154 CB TRP A 11 134.685 4.937 -4.050 1.00 0.00 C ATOM 155 CG TRP A 11 135.547 4.206 -3.074 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.439 3.218 -3.338 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.565 4.401 -1.670 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.031 2.802 -2.188 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.502 3.505 -1.139 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.878 5.256 -0.809 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.765 3.431 0.220 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.138 5.176 0.549 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.073 4.270 1.046 1.00 0.00 C ATOM 0 H TRP A 11 136.831 5.182 -5.284 1.00 0.00 H new ATOM 0 HA TRP A 11 134.666 3.437 -5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.900 6.003 -3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.642 4.801 -3.763 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.648 2.820 -4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.752 2.084 -2.118 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.159 5.965 -1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.491 2.734 0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.609 5.824 1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.255 4.230 2.110 1.00 0.00 H new ATOM 174 N GLY A 12 134.292 6.402 -6.882 1.00 0.00 N ATOM 175 CA GLY A 12 133.457 7.243 -7.708 1.00 0.00 C ATOM 176 C GLY A 12 133.374 6.746 -9.140 1.00 0.00 C ATOM 177 O GLY A 12 132.584 7.259 -9.939 1.00 0.00 O ATOM 0 H GLY A 12 135.240 6.754 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.455 7.286 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.850 8.260 -7.701 1.00 0.00 H new ATOM 181 N GLU A 13 134.191 5.759 -9.481 1.00 0.00 N ATOM 182 CA GLU A 13 134.162 5.185 -10.813 1.00 0.00 C ATOM 183 C GLU A 13 132.988 4.241 -10.905 1.00 0.00 C ATOM 184 O GLU A 13 132.303 4.168 -11.928 1.00 0.00 O ATOM 185 CB GLU A 13 135.433 4.390 -11.115 1.00 0.00 C ATOM 186 CG GLU A 13 136.729 5.144 -10.934 1.00 0.00 C ATOM 187 CD GLU A 13 137.923 4.272 -11.221 1.00 0.00 C ATOM 188 OE1 GLU A 13 138.082 3.229 -10.569 1.00 0.00 O ATOM 189 OE2 GLU A 13 138.735 4.616 -12.112 1.00 0.00 O ATOM 0 H GLU A 13 134.879 5.342 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 13 134.082 6.001 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 13 135.452 3.510 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.381 4.032 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.742 6.010 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.791 5.522 -9.914 1.00 0.00 H new ATOM 196 N SER A 14 132.769 3.492 -9.839 1.00 0.00 N ATOM 197 CA SER A 14 131.701 2.514 -9.794 1.00 0.00 C ATOM 198 C SER A 14 131.253 2.259 -8.355 1.00 0.00 C ATOM 199 O SER A 14 132.085 1.975 -7.469 1.00 0.00 O ATOM 200 CB SER A 14 132.169 1.197 -10.434 1.00 0.00 C ATOM 201 OG SER A 14 132.603 1.408 -11.775 1.00 0.00 O ATOM 0 H SER A 14 133.324 3.545 -8.985 1.00 0.00 H new ATOM 0 HA SER A 14 130.853 2.909 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 14 132.983 0.772 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 14 131.355 0.472 -10.421 1.00 0.00 H new ATOM 0 HG SER A 14 132.898 0.557 -12.161 1.00 0.00 H new ATOM 207 N PHE A 15 129.945 2.321 -8.141 1.00 0.00 N ATOM 208 CA PHE A 15 129.321 2.078 -6.844 1.00 0.00 C ATOM 209 C PHE A 15 129.668 0.683 -6.326 1.00 0.00 C ATOM 210 O PHE A 15 129.818 0.477 -5.133 1.00 0.00 O ATOM 211 CB PHE A 15 127.791 2.249 -6.970 1.00 0.00 C ATOM 212 CG PHE A 15 127.001 1.910 -5.736 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.240 2.551 -4.542 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.025 0.940 -5.777 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.521 2.235 -3.415 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.303 0.620 -4.650 1.00 0.00 C ATOM 217 CZ PHE A 15 125.550 1.269 -3.468 1.00 0.00 C ATOM 0 H PHE A 15 129.275 2.546 -8.876 1.00 0.00 H new ATOM 0 HA PHE A 15 129.704 2.802 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.579 3.282 -7.244 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.439 1.623 -7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.003 3.313 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.824 0.424 -6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.721 2.748 -2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.541 -0.144 -4.697 1.00 0.00 H new ATOM 0 HZ PHE A 15 124.983 1.020 -2.583 1.00 0.00 H new ATOM 227 N ASP A 16 129.831 -0.246 -7.238 1.00 0.00 N ATOM 228 CA ASP A 16 130.155 -1.626 -6.895 1.00 0.00 C ATOM 229 C ASP A 16 131.506 -1.739 -6.195 1.00 0.00 C ATOM 230 O ASP A 16 131.634 -2.465 -5.219 1.00 0.00 O ATOM 231 CB ASP A 16 130.140 -2.501 -8.136 1.00 0.00 C ATOM 232 CG ASP A 16 130.424 -3.955 -7.847 1.00 0.00 C ATOM 233 OD1 ASP A 16 129.490 -4.689 -7.445 1.00 0.00 O ATOM 234 OD2 ASP A 16 131.571 -4.395 -8.073 1.00 0.00 O ATOM 0 H ASP A 16 129.745 -0.075 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 16 129.390 -1.972 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.166 -2.418 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.880 -2.128 -8.844 1.00 0.00 H new ATOM 239 N LYS A 17 132.508 -0.979 -6.645 1.00 0.00 N ATOM 240 CA LYS A 17 133.820 -1.093 -6.010 1.00 0.00 C ATOM 241 C LYS A 17 133.841 -0.333 -4.693 1.00 0.00 C ATOM 242 O LYS A 17 134.595 -0.668 -3.788 1.00 0.00 O ATOM 243 CB LYS A 17 135.000 -0.707 -6.920 1.00 0.00 C ATOM 244 CG LYS A 17 135.055 0.739 -7.345 1.00 0.00 C ATOM 245 CD LYS A 17 136.340 1.038 -8.102 1.00 0.00 C ATOM 246 CE LYS A 17 136.420 0.329 -9.436 1.00 0.00 C ATOM 247 NZ LYS A 17 137.678 0.647 -10.140 1.00 0.00 N ATOM 0 H LYS A 17 132.443 -0.308 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 17 133.970 -2.153 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.928 -0.950 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.963 -1.328 -7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 17 134.196 0.969 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 17 134.988 1.382 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.418 2.113 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.193 0.745 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.349 -0.748 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 17 135.571 0.619 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.587 0.394 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.876 1.665 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.459 0.106 -9.717 1.00 0.00 H new ATOM 261 N LEU A 18 132.991 0.687 -4.600 1.00 0.00 N ATOM 262 CA LEU A 18 132.765 1.393 -3.341 1.00 0.00 C ATOM 263 C LEU A 18 132.225 0.412 -2.321 1.00 0.00 C ATOM 264 O LEU A 18 132.736 0.274 -1.212 1.00 0.00 O ATOM 265 CB LEU A 18 131.691 2.492 -3.538 1.00 0.00 C ATOM 266 CG LEU A 18 131.033 3.027 -2.244 1.00 0.00 C ATOM 267 CD1 LEU A 18 131.989 3.839 -1.429 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.779 3.811 -2.531 1.00 0.00 C ATOM 0 H LEU A 18 132.446 1.044 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 18 133.705 1.835 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.148 3.330 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.908 2.097 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 18 130.750 2.153 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.488 4.196 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.843 3.222 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.334 4.691 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.350 4.167 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.020 4.663 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.058 3.171 -3.039 1.00 0.00 H new ATOM 280 N LEU A 19 131.226 -0.291 -2.754 1.00 0.00 N ATOM 281 CA LEU A 19 130.440 -1.146 -1.933 1.00 0.00 C ATOM 282 C LEU A 19 131.166 -2.447 -1.581 1.00 0.00 C ATOM 283 O LEU A 19 130.913 -3.040 -0.534 1.00 0.00 O ATOM 284 CB LEU A 19 129.162 -1.423 -2.677 1.00 0.00 C ATOM 285 CG LEU A 19 127.974 -1.823 -1.860 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.640 -0.702 -0.855 1.00 0.00 C ATOM 287 CD2 LEU A 19 126.820 -2.066 -2.810 1.00 0.00 C ATOM 0 H LEU A 19 130.927 -0.282 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 19 130.239 -0.656 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 19 128.899 -0.529 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.356 -2.213 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 19 128.175 -2.731 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 126.775 -0.993 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.494 -0.536 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.415 0.217 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 19 125.937 -2.360 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.607 -1.152 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.084 -2.861 -3.508 1.00 0.00 H new ATOM 299 N SER A 20 132.051 -2.896 -2.441 1.00 0.00 N ATOM 300 CA SER A 20 132.824 -4.085 -2.156 1.00 0.00 C ATOM 301 C SER A 20 134.029 -3.753 -1.269 1.00 0.00 C ATOM 302 O SER A 20 134.649 -4.642 -0.667 1.00 0.00 O ATOM 303 CB SER A 20 133.240 -4.785 -3.458 1.00 0.00 C ATOM 304 OG SER A 20 133.821 -3.865 -4.373 1.00 0.00 O ATOM 0 H SER A 20 132.254 -2.459 -3.340 1.00 0.00 H new ATOM 0 HA SER A 20 132.199 -4.782 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 133.952 -5.579 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 20 132.370 -5.256 -3.915 1.00 0.00 H new ATOM 0 HG SER A 20 133.114 -3.338 -4.801 1.00 0.00 H new ATOM 310 N HIS A 21 134.322 -2.466 -1.154 1.00 0.00 N ATOM 311 CA HIS A 21 135.418 -2.006 -0.344 1.00 0.00 C ATOM 312 C HIS A 21 134.875 -1.890 1.053 1.00 0.00 C ATOM 313 O HIS A 21 133.876 -1.212 1.239 1.00 0.00 O ATOM 314 CB HIS A 21 135.890 -0.614 -0.807 1.00 0.00 C ATOM 315 CG HIS A 21 137.338 -0.327 -0.566 1.00 0.00 C ATOM 316 ND1 HIS A 21 137.835 0.386 0.516 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.399 -0.621 -1.322 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.143 0.507 0.383 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.496 -0.100 -0.720 1.00 0.00 N ATOM 0 H HIS A 21 133.804 -1.722 -1.621 1.00 0.00 H new ATOM 0 HA HIS A 21 136.264 -2.690 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.687 -0.514 -1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.295 0.143 -0.297 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.385 -1.176 -2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 21 139.806 1.018 1.066 1.00 0.00 H new ATOM 0 HE2 HIS A 21 140.450 -0.171 -1.073 1.00 0.00 H new ATOM 328 N ARG A 22 135.509 -2.534 2.024 1.00 0.00 N ATOM 329 CA ARG A 22 135.023 -2.505 3.427 1.00 0.00 C ATOM 330 C ARG A 22 134.802 -1.065 3.891 1.00 0.00 C ATOM 331 O ARG A 22 133.749 -0.727 4.399 1.00 0.00 O ATOM 332 CB ARG A 22 135.998 -3.206 4.387 1.00 0.00 C ATOM 333 CG ARG A 22 136.300 -4.657 4.044 1.00 0.00 C ATOM 334 CD ARG A 22 137.161 -5.322 5.120 1.00 0.00 C ATOM 335 NE ARG A 22 138.416 -4.594 5.371 1.00 0.00 N ATOM 336 CZ ARG A 22 139.544 -5.120 5.869 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.583 -6.387 6.278 1.00 0.00 N ATOM 338 NH2 ARG A 22 140.610 -4.349 6.010 1.00 0.00 N ATOM 0 H ARG A 22 136.357 -3.084 1.883 1.00 0.00 H new ATOM 0 HA ARG A 22 134.077 -3.045 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.935 -2.649 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.586 -3.164 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.366 -5.207 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 22 136.814 -4.705 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 22 136.591 -5.387 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.392 -6.343 4.816 1.00 0.00 H new ATOM 0 HE ARG A 22 138.428 -3.599 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 22 138.748 -6.969 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 22 140.448 -6.775 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 22 140.568 -3.366 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 22 141.474 -4.738 6.388 1.00 0.00 H new ATOM 352 N ASP A 23 135.785 -0.223 3.634 1.00 0.00 N ATOM 353 CA ASP A 23 135.735 1.202 4.001 1.00 0.00 C ATOM 354 C ASP A 23 134.626 1.930 3.270 1.00 0.00 C ATOM 355 O ASP A 23 134.055 2.871 3.789 1.00 0.00 O ATOM 356 CB ASP A 23 137.042 1.897 3.638 1.00 0.00 C ATOM 357 CG ASP A 23 138.241 1.221 4.195 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.704 0.251 3.575 1.00 0.00 O ATOM 359 OD2 ASP A 23 138.753 1.647 5.231 1.00 0.00 O ATOM 0 H ASP A 23 136.648 -0.497 3.164 1.00 0.00 H new ATOM 0 HA ASP A 23 135.558 1.237 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.131 1.944 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.012 2.925 4.000 1.00 0.00 H new ATOM 364 N GLY A 24 134.315 1.486 2.072 1.00 0.00 N ATOM 365 CA GLY A 24 133.346 2.189 1.263 1.00 0.00 C ATOM 366 C GLY A 24 131.970 1.795 1.611 1.00 0.00 C ATOM 367 O GLY A 24 131.085 2.642 1.730 1.00 0.00 O ATOM 0 H GLY A 24 134.714 0.652 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.465 3.264 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.530 1.981 0.209 1.00 0.00 H new ATOM 371 N LEU A 25 131.786 0.508 1.779 1.00 0.00 N ATOM 372 CA LEU A 25 130.563 -0.046 2.278 1.00 0.00 C ATOM 373 C LEU A 25 130.221 0.643 3.586 1.00 0.00 C ATOM 374 O LEU A 25 129.119 1.123 3.770 1.00 0.00 O ATOM 375 CB LEU A 25 130.716 -1.593 2.396 1.00 0.00 C ATOM 376 CG LEU A 25 130.013 -2.336 3.547 1.00 0.00 C ATOM 377 CD1 LEU A 25 129.687 -3.755 3.106 1.00 0.00 C ATOM 378 CD2 LEU A 25 130.954 -2.415 4.758 1.00 0.00 C ATOM 0 H LEU A 25 132.498 -0.191 1.567 1.00 0.00 H new ATOM 0 HA LEU A 25 129.727 0.128 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.363 -2.029 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 25 131.781 -1.812 2.468 1.00 0.00 H new ATOM 0 HG LEU A 25 129.101 -1.801 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.189 -4.283 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.030 -3.724 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.608 -4.276 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.456 -2.941 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 25 131.861 -2.952 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.215 -1.408 5.083 1.00 0.00 H new ATOM 390 N GLU A 26 131.226 0.784 4.417 1.00 0.00 N ATOM 391 CA GLU A 26 131.136 1.443 5.691 1.00 0.00 C ATOM 392 C GLU A 26 130.828 2.948 5.535 1.00 0.00 C ATOM 393 O GLU A 26 130.027 3.498 6.297 1.00 0.00 O ATOM 394 CB GLU A 26 132.444 1.221 6.412 1.00 0.00 C ATOM 395 CG GLU A 26 132.582 1.900 7.748 1.00 0.00 C ATOM 396 CD GLU A 26 133.945 1.681 8.320 1.00 0.00 C ATOM 397 OE1 GLU A 26 134.895 2.397 7.926 1.00 0.00 O ATOM 398 OE2 GLU A 26 134.107 0.775 9.158 1.00 0.00 O ATOM 0 H GLU A 26 132.161 0.429 4.214 1.00 0.00 H new ATOM 0 HA GLU A 26 130.311 1.025 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.580 0.149 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.254 1.562 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 26 132.397 2.969 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 131.829 1.515 8.435 1.00 0.00 H new ATOM 405 N ALA A 27 131.410 3.593 4.516 1.00 0.00 N ATOM 406 CA ALA A 27 131.175 5.031 4.295 1.00 0.00 C ATOM 407 C ALA A 27 129.716 5.237 3.887 1.00 0.00 C ATOM 408 O ALA A 27 129.049 6.181 4.327 1.00 0.00 O ATOM 409 CB ALA A 27 132.142 5.627 3.232 1.00 0.00 C ATOM 0 H ALA A 27 132.036 3.154 3.841 1.00 0.00 H new ATOM 0 HA ALA A 27 131.376 5.563 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.931 6.689 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.172 5.499 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.001 5.111 2.282 1.00 0.00 H new ATOM 415 N PHE A 28 129.214 4.300 3.097 1.00 0.00 N ATOM 416 CA PHE A 28 127.837 4.321 2.627 1.00 0.00 C ATOM 417 C PHE A 28 126.922 4.041 3.782 1.00 0.00 C ATOM 418 O PHE A 28 125.851 4.611 3.904 1.00 0.00 O ATOM 419 CB PHE A 28 127.627 3.231 1.614 1.00 0.00 C ATOM 420 CG PHE A 28 126.624 3.601 0.564 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.919 4.577 -0.369 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.380 3.001 0.529 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.996 4.943 -1.323 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.452 3.366 -0.420 1.00 0.00 C ATOM 425 CZ PHE A 28 124.760 4.339 -1.348 1.00 0.00 C ATOM 0 H PHE A 28 129.752 3.501 2.763 1.00 0.00 H new ATOM 0 HA PHE A 28 127.630 5.296 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.578 2.998 1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 28 127.296 2.326 2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.885 5.059 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.133 2.238 1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 28 126.242 5.703 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.483 2.890 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 28 124.032 4.626 -2.093 1.00 0.00 H new ATOM 435 N THR A 29 127.366 3.148 4.615 1.00 0.00 N ATOM 436 CA THR A 29 126.658 2.755 5.782 1.00 0.00 C ATOM 437 C THR A 29 126.456 3.961 6.730 1.00 0.00 C ATOM 438 O THR A 29 125.379 4.136 7.314 1.00 0.00 O ATOM 439 CB THR A 29 127.412 1.612 6.482 1.00 0.00 C ATOM 440 OG1 THR A 29 127.492 0.467 5.623 1.00 0.00 O ATOM 441 CG2 THR A 29 126.712 1.207 7.684 1.00 0.00 C ATOM 0 H THR A 29 128.255 2.664 4.492 1.00 0.00 H new ATOM 0 HA THR A 29 125.669 2.395 5.498 1.00 0.00 H new ATOM 0 HB THR A 29 128.410 1.976 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 29 127.903 0.725 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 29 127.258 0.397 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 29 126.640 2.054 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 29 125.711 0.864 7.424 1.00 0.00 H new ATOM 449 N ARG A 30 127.481 4.799 6.842 1.00 0.00 N ATOM 450 CA ARG A 30 127.403 6.030 7.625 1.00 0.00 C ATOM 451 C ARG A 30 126.327 6.955 7.059 1.00 0.00 C ATOM 452 O ARG A 30 125.548 7.565 7.812 1.00 0.00 O ATOM 453 CB ARG A 30 128.760 6.749 7.666 1.00 0.00 C ATOM 454 CG ARG A 30 129.849 5.970 8.381 1.00 0.00 C ATOM 455 CD ARG A 30 131.116 6.773 8.520 1.00 0.00 C ATOM 456 NE ARG A 30 132.130 6.083 9.335 1.00 0.00 N ATOM 457 CZ ARG A 30 133.330 6.597 9.647 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.583 7.872 9.382 1.00 0.00 N ATOM 459 NH2 ARG A 30 134.236 5.862 10.301 1.00 0.00 N ATOM 0 H ARG A 30 128.385 4.647 6.396 1.00 0.00 H new ATOM 0 HA ARG A 30 127.133 5.762 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.083 6.952 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.634 7.713 8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.496 5.676 9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.059 5.052 7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.525 6.975 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.884 7.737 8.973 1.00 0.00 H new ATOM 0 HE ARG A 30 131.905 5.152 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.868 8.454 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.492 8.271 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 30 134.018 4.902 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 30 135.145 6.262 10.534 1.00 0.00 H new ATOM 473 N PHE A 31 126.280 7.025 5.744 1.00 0.00 N ATOM 474 CA PHE A 31 125.295 7.808 5.010 1.00 0.00 C ATOM 475 C PHE A 31 123.879 7.235 5.260 1.00 0.00 C ATOM 476 O PHE A 31 122.917 7.973 5.481 1.00 0.00 O ATOM 477 CB PHE A 31 125.652 7.753 3.508 1.00 0.00 C ATOM 478 CG PHE A 31 124.760 8.543 2.602 1.00 0.00 C ATOM 479 CD1 PHE A 31 123.610 7.980 2.069 1.00 0.00 C ATOM 480 CD2 PHE A 31 125.073 9.844 2.274 1.00 0.00 C ATOM 481 CE1 PHE A 31 122.796 8.705 1.237 1.00 0.00 C ATOM 482 CE2 PHE A 31 124.261 10.572 1.438 1.00 0.00 C ATOM 483 CZ PHE A 31 123.121 10.001 0.920 1.00 0.00 C ATOM 0 H PHE A 31 126.937 6.531 5.140 1.00 0.00 H new ATOM 0 HA PHE A 31 125.303 8.844 5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.675 8.109 3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 31 125.636 6.712 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 31 123.353 6.960 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 31 125.966 10.297 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 31 121.901 8.257 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 31 124.517 11.591 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.482 10.573 0.264 1.00 0.00 H new ATOM 493 N LEU A 32 123.785 5.928 5.225 1.00 0.00 N ATOM 494 CA LEU A 32 122.542 5.201 5.447 1.00 0.00 C ATOM 495 C LEU A 32 122.004 5.364 6.872 1.00 0.00 C ATOM 496 O LEU A 32 120.805 5.561 7.064 1.00 0.00 O ATOM 497 CB LEU A 32 122.745 3.725 5.129 1.00 0.00 C ATOM 498 CG LEU A 32 122.110 3.201 3.837 1.00 0.00 C ATOM 499 CD1 LEU A 32 122.516 4.014 2.633 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.479 1.751 3.629 1.00 0.00 C ATOM 0 H LEU A 32 124.583 5.320 5.038 1.00 0.00 H new ATOM 0 HA LEU A 32 121.795 5.628 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.817 3.532 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 122.352 3.141 5.961 1.00 0.00 H new ATOM 0 HG LEU A 32 121.029 3.293 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 32 122.041 3.605 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 32 122.201 5.049 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.599 3.977 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 122.023 1.388 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.563 1.658 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.118 1.159 4.470 1.00 0.00 H new ATOM 512 N LYS A 33 122.887 5.279 7.860 1.00 0.00 N ATOM 513 CA LYS A 33 122.504 5.398 9.277 1.00 0.00 C ATOM 514 C LYS A 33 121.741 6.668 9.583 1.00 0.00 C ATOM 515 O LYS A 33 120.662 6.613 10.183 1.00 0.00 O ATOM 516 CB LYS A 33 123.713 5.334 10.201 1.00 0.00 C ATOM 517 CG LYS A 33 124.281 3.962 10.449 1.00 0.00 C ATOM 518 CD LYS A 33 125.468 4.077 11.381 1.00 0.00 C ATOM 519 CE LYS A 33 126.015 2.735 11.800 1.00 0.00 C ATOM 520 NZ LYS A 33 126.356 1.885 10.677 1.00 0.00 N ATOM 0 H LYS A 33 123.885 5.127 7.712 1.00 0.00 H new ATOM 0 HA LYS A 33 121.850 4.545 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.500 5.961 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.436 5.770 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.521 3.314 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.586 3.505 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.256 4.648 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.174 4.638 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.902 2.887 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 33 125.278 2.227 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 126.726 0.978 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 125.507 1.713 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 127.080 2.352 10.095 1.00 0.00 H new ATOM 534 N THR A 34 122.266 7.786 9.128 1.00 0.00 N ATOM 535 CA THR A 34 121.718 9.087 9.457 1.00 0.00 C ATOM 536 C THR A 34 120.311 9.314 8.854 1.00 0.00 C ATOM 537 O THR A 34 119.562 10.171 9.315 1.00 0.00 O ATOM 538 CB THR A 34 122.714 10.231 9.087 1.00 0.00 C ATOM 539 OG1 THR A 34 122.207 11.512 9.469 1.00 0.00 O ATOM 540 CG2 THR A 34 123.029 10.233 7.609 1.00 0.00 C ATOM 0 H THR A 34 123.084 7.820 8.520 1.00 0.00 H new ATOM 0 HA THR A 34 121.583 9.110 10.538 1.00 0.00 H new ATOM 0 HB THR A 34 123.632 10.038 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 34 122.854 12.206 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.725 11.042 7.386 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.480 9.280 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.110 10.379 7.041 1.00 0.00 H new ATOM 548 N GLU A 35 119.947 8.545 7.850 1.00 0.00 N ATOM 549 CA GLU A 35 118.616 8.653 7.302 1.00 0.00 C ATOM 550 C GLU A 35 117.828 7.371 7.515 1.00 0.00 C ATOM 551 O GLU A 35 116.770 7.159 6.911 1.00 0.00 O ATOM 552 CB GLU A 35 118.627 9.126 5.850 1.00 0.00 C ATOM 553 CG GLU A 35 119.511 8.341 4.914 1.00 0.00 C ATOM 554 CD GLU A 35 119.524 8.955 3.550 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.042 10.072 3.416 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.974 8.356 2.591 1.00 0.00 O ATOM 0 H GLU A 35 120.545 7.849 7.404 1.00 0.00 H new ATOM 0 HA GLU A 35 118.090 9.432 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.606 9.094 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 35 118.942 10.169 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.526 8.305 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.157 7.312 4.850 1.00 0.00 H new ATOM 563 N PHE A 36 118.346 6.540 8.430 1.00 0.00 N ATOM 564 CA PHE A 36 117.708 5.295 8.889 1.00 0.00 C ATOM 565 C PHE A 36 117.424 4.328 7.740 1.00 0.00 C ATOM 566 O PHE A 36 116.525 3.488 7.821 1.00 0.00 O ATOM 567 CB PHE A 36 116.412 5.616 9.658 1.00 0.00 C ATOM 568 CG PHE A 36 116.616 6.509 10.855 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.079 5.991 12.049 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.352 7.868 10.777 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.276 6.808 13.143 1.00 0.00 C ATOM 572 CE2 PHE A 36 116.546 8.691 11.868 1.00 0.00 C ATOM 573 CZ PHE A 36 117.009 8.161 13.052 1.00 0.00 C ATOM 0 H PHE A 36 119.242 6.718 8.884 1.00 0.00 H new ATOM 0 HA PHE A 36 118.410 4.797 9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.706 6.093 8.978 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.956 4.682 9.987 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.289 4.935 12.127 1.00 0.00 H new ATOM 0 HD2 PHE A 36 115.990 8.288 9.850 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.639 6.390 14.071 1.00 0.00 H new ATOM 0 HE2 PHE A 36 116.335 9.748 11.793 1.00 0.00 H new ATOM 0 HZ PHE A 36 117.163 8.802 13.908 1.00 0.00 H new ATOM 583 N SER A 37 118.224 4.397 6.713 1.00 0.00 N ATOM 584 CA SER A 37 118.016 3.589 5.546 1.00 0.00 C ATOM 585 C SER A 37 119.063 2.491 5.455 1.00 0.00 C ATOM 586 O SER A 37 119.247 1.859 4.396 1.00 0.00 O ATOM 587 CB SER A 37 118.065 4.485 4.336 1.00 0.00 C ATOM 588 OG SER A 37 119.253 5.242 4.347 1.00 0.00 O ATOM 0 H SER A 37 119.036 5.013 6.662 1.00 0.00 H new ATOM 0 HA SER A 37 117.043 3.100 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.014 3.886 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.201 5.149 4.329 1.00 0.00 H new ATOM 0 HG SER A 37 119.325 5.749 3.512 1.00 0.00 H new ATOM 594 N GLU A 38 119.705 2.216 6.601 1.00 0.00 N ATOM 595 CA GLU A 38 120.762 1.198 6.725 1.00 0.00 C ATOM 596 C GLU A 38 120.187 -0.198 6.414 1.00 0.00 C ATOM 597 O GLU A 38 120.916 -1.144 6.103 1.00 0.00 O ATOM 598 CB GLU A 38 121.373 1.270 8.138 1.00 0.00 C ATOM 599 CG GLU A 38 122.509 0.294 8.411 1.00 0.00 C ATOM 600 CD GLU A 38 123.016 0.383 9.830 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.203 0.325 10.772 1.00 0.00 O ATOM 602 OE2 GLU A 38 124.236 0.459 10.041 1.00 0.00 O ATOM 0 H GLU A 38 119.504 2.698 7.477 1.00 0.00 H new ATOM 0 HA GLU A 38 121.556 1.390 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.739 2.283 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 38 120.582 1.093 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 38 122.167 -0.722 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 123.329 0.494 7.722 1.00 0.00 H new ATOM 609 N GLU A 39 118.860 -0.254 6.448 1.00 0.00 N ATOM 610 CA GLU A 39 118.024 -1.411 6.124 1.00 0.00 C ATOM 611 C GLU A 39 118.503 -2.075 4.831 1.00 0.00 C ATOM 612 O GLU A 39 118.657 -3.270 4.776 1.00 0.00 O ATOM 613 CB GLU A 39 116.597 -0.913 5.843 1.00 0.00 C ATOM 614 CG GLU A 39 116.022 0.064 6.855 1.00 0.00 C ATOM 615 CD GLU A 39 115.526 -0.580 8.107 1.00 0.00 C ATOM 616 OE1 GLU A 39 116.327 -1.005 8.945 1.00 0.00 O ATOM 617 OE2 GLU A 39 114.309 -0.638 8.297 1.00 0.00 O ATOM 0 H GLU A 39 118.302 0.556 6.719 1.00 0.00 H new ATOM 0 HA GLU A 39 118.070 -2.113 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.586 -0.438 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 39 115.936 -1.778 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.787 0.796 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 115.202 0.611 6.391 1.00 0.00 H new ATOM 624 N ASN A 40 118.761 -1.257 3.815 1.00 0.00 N ATOM 625 CA ASN A 40 119.102 -1.750 2.477 1.00 0.00 C ATOM 626 C ASN A 40 120.466 -2.423 2.441 1.00 0.00 C ATOM 627 O ASN A 40 120.650 -3.533 1.852 1.00 0.00 O ATOM 628 CB ASN A 40 119.019 -0.608 1.461 1.00 0.00 C ATOM 629 CG ASN A 40 117.587 -0.185 1.172 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.667 -1.002 1.200 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.382 1.081 0.923 1.00 0.00 N ATOM 0 H ASN A 40 118.741 -0.240 3.891 1.00 0.00 H new ATOM 0 HA ASN A 40 118.373 -2.515 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.578 0.249 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.497 -0.918 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.436 1.419 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.168 1.731 0.907 1.00 0.00 H new ATOM 638 N ILE A 41 121.415 -1.809 3.099 1.00 0.00 N ATOM 639 CA ILE A 41 122.724 -2.369 3.155 1.00 0.00 C ATOM 640 C ILE A 41 122.716 -3.638 3.992 1.00 0.00 C ATOM 641 O ILE A 41 123.290 -4.633 3.598 1.00 0.00 O ATOM 642 CB ILE A 41 123.822 -1.321 3.566 1.00 0.00 C ATOM 643 CG1 ILE A 41 124.787 -1.132 2.381 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.560 -1.677 4.861 1.00 0.00 C ATOM 645 CD1 ILE A 41 125.904 -0.131 2.580 1.00 0.00 C ATOM 0 H ILE A 41 121.299 -0.927 3.598 1.00 0.00 H new ATOM 0 HA ILE A 41 123.018 -2.662 2.147 1.00 0.00 H new ATOM 0 HB ILE A 41 123.324 -0.378 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.232 -2.099 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 41 124.205 -0.827 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.301 -0.909 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.846 -1.737 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.059 -2.639 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 41 126.516 -0.085 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.480 0.853 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.522 -0.438 3.424 1.00 0.00 H new ATOM 657 N GLU A 42 121.959 -3.632 5.092 1.00 0.00 N ATOM 658 CA GLU A 42 121.841 -4.815 5.924 1.00 0.00 C ATOM 659 C GLU A 42 120.940 -5.877 5.327 1.00 0.00 C ATOM 660 O GLU A 42 120.954 -7.026 5.763 1.00 0.00 O ATOM 661 CB GLU A 42 121.512 -4.494 7.362 1.00 0.00 C ATOM 662 CG GLU A 42 122.700 -3.879 8.062 1.00 0.00 C ATOM 663 CD GLU A 42 122.502 -3.683 9.533 1.00 0.00 C ATOM 664 OE1 GLU A 42 121.527 -3.060 9.942 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.320 -4.195 10.327 1.00 0.00 O ATOM 0 H GLU A 42 121.426 -2.826 5.419 1.00 0.00 H new ATOM 0 HA GLU A 42 122.836 -5.260 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 42 120.666 -3.808 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.209 -5.403 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 42 123.571 -4.514 7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 122.921 -2.915 7.603 1.00 0.00 H new ATOM 672 N PHE A 43 120.178 -5.484 4.331 1.00 0.00 N ATOM 673 CA PHE A 43 119.381 -6.386 3.538 1.00 0.00 C ATOM 674 C PHE A 43 120.304 -7.367 2.850 1.00 0.00 C ATOM 675 O PHE A 43 120.256 -8.580 3.111 1.00 0.00 O ATOM 676 CB PHE A 43 118.562 -5.587 2.502 1.00 0.00 C ATOM 677 CG PHE A 43 117.881 -6.399 1.439 1.00 0.00 C ATOM 678 CD1 PHE A 43 116.622 -6.888 1.637 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.517 -6.659 0.230 1.00 0.00 C ATOM 680 CE1 PHE A 43 115.997 -7.621 0.664 1.00 0.00 C ATOM 681 CE2 PHE A 43 117.899 -7.395 -0.748 1.00 0.00 C ATOM 682 CZ PHE A 43 116.636 -7.877 -0.533 1.00 0.00 C ATOM 0 H PHE A 43 120.095 -4.508 4.046 1.00 0.00 H new ATOM 0 HA PHE A 43 118.683 -6.932 4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 43 117.805 -5.010 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.225 -4.871 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.114 -6.695 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.512 -6.276 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.000 -8.000 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.405 -7.593 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.140 -8.456 -1.298 1.00 0.00 H new ATOM 692 N TRP A 44 121.193 -6.864 2.004 1.00 0.00 N ATOM 693 CA TRP A 44 122.085 -7.799 1.352 1.00 0.00 C ATOM 694 C TRP A 44 123.309 -8.156 2.177 1.00 0.00 C ATOM 695 O TRP A 44 124.034 -9.108 1.856 1.00 0.00 O ATOM 696 CB TRP A 44 122.383 -7.514 -0.126 1.00 0.00 C ATOM 697 CG TRP A 44 122.834 -6.140 -0.472 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.202 -5.286 -1.318 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.000 -5.457 -0.004 1.00 0.00 C ATOM 700 NE1 TRP A 44 122.911 -4.136 -1.433 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.013 -4.210 -0.618 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.035 -5.783 0.874 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.014 -3.293 -0.385 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.027 -4.872 1.107 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.013 -3.641 0.482 1.00 0.00 C ATOM 0 H TRP A 44 121.311 -5.879 1.766 1.00 0.00 H new ATOM 0 HA TRP A 44 121.496 -8.715 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.148 -8.215 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.482 -7.729 -0.701 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.271 -5.493 -1.825 1.00 0.00 H new ATOM 0 HE1 TRP A 44 122.665 -3.345 -2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.052 -6.745 1.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.010 -2.329 -0.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 126.830 -5.118 1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 44 126.808 -2.938 0.682 1.00 0.00 H new ATOM 716 N ILE A 45 123.546 -7.405 3.232 1.00 0.00 N ATOM 717 CA ILE A 45 124.569 -7.753 4.188 1.00 0.00 C ATOM 718 C ILE A 45 124.154 -9.030 4.900 1.00 0.00 C ATOM 719 O ILE A 45 124.962 -9.925 5.068 1.00 0.00 O ATOM 720 CB ILE A 45 124.894 -6.559 5.158 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.221 -5.883 4.764 1.00 0.00 C ATOM 722 CG2 ILE A 45 124.837 -6.899 6.656 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.576 -4.672 5.610 1.00 0.00 C ATOM 0 H ILE A 45 123.040 -6.546 3.447 1.00 0.00 H new ATOM 0 HA ILE A 45 125.511 -7.948 3.675 1.00 0.00 H new ATOM 0 HB ILE A 45 124.081 -5.846 5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.026 -6.614 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.165 -5.579 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.076 -6.010 7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 45 123.835 -7.244 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 45 125.559 -7.685 6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.523 -4.255 5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.793 -3.920 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 45 126.667 -4.972 6.654 1.00 0.00 H new ATOM 735 N ALA A 46 122.854 -9.144 5.226 1.00 0.00 N ATOM 736 CA ALA A 46 122.316 -10.367 5.807 1.00 0.00 C ATOM 737 C ALA A 46 122.403 -11.480 4.788 1.00 0.00 C ATOM 738 O ALA A 46 122.725 -12.614 5.127 1.00 0.00 O ATOM 739 CB ALA A 46 120.863 -10.190 6.233 1.00 0.00 C ATOM 0 H ALA A 46 122.167 -8.402 5.094 1.00 0.00 H new ATOM 0 HA ALA A 46 122.903 -10.612 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.494 -11.121 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.796 -9.396 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.259 -9.926 5.365 1.00 0.00 H new ATOM 745 N CYS A 47 122.109 -11.135 3.540 1.00 0.00 N ATOM 746 CA CYS A 47 122.152 -12.067 2.421 1.00 0.00 C ATOM 747 C CYS A 47 123.507 -12.750 2.303 1.00 0.00 C ATOM 748 O CYS A 47 123.598 -13.968 2.384 1.00 0.00 O ATOM 749 CB CYS A 47 121.797 -11.343 1.116 1.00 0.00 C ATOM 750 SG CYS A 47 122.041 -12.313 -0.388 1.00 0.00 S ATOM 0 H CYS A 47 121.831 -10.190 3.274 1.00 0.00 H new ATOM 0 HA CYS A 47 121.413 -12.846 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 47 120.754 -11.031 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.398 -10.436 1.047 1.00 0.00 H new ATOM 0 HG CYS A 47 121.707 -11.600 -1.423 1.00 0.00 H new ATOM 756 N GLU A 48 124.563 -11.982 2.161 1.00 0.00 N ATOM 757 CA GLU A 48 125.860 -12.587 1.998 1.00 0.00 C ATOM 758 C GLU A 48 126.415 -13.115 3.324 1.00 0.00 C ATOM 759 O GLU A 48 127.263 -14.003 3.341 1.00 0.00 O ATOM 760 CB GLU A 48 126.823 -11.697 1.214 1.00 0.00 C ATOM 761 CG GLU A 48 126.283 -11.365 -0.181 1.00 0.00 C ATOM 762 CD GLU A 48 127.268 -10.642 -1.060 1.00 0.00 C ATOM 763 OE1 GLU A 48 127.426 -9.411 -0.917 1.00 0.00 O ATOM 764 OE2 GLU A 48 127.894 -11.290 -1.924 1.00 0.00 O ATOM 0 H GLU A 48 124.550 -10.962 2.155 1.00 0.00 H new ATOM 0 HA GLU A 48 125.736 -13.471 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 48 126.996 -10.773 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.787 -12.198 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 48 125.982 -12.290 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 48 125.387 -10.754 -0.077 1.00 0.00 H new ATOM 771 N ASP A 49 125.887 -12.599 4.434 1.00 0.00 N ATOM 772 CA ASP A 49 126.195 -13.142 5.765 1.00 0.00 C ATOM 773 C ASP A 49 125.668 -14.564 5.863 1.00 0.00 C ATOM 774 O ASP A 49 126.306 -15.448 6.440 1.00 0.00 O ATOM 775 CB ASP A 49 125.561 -12.295 6.871 1.00 0.00 C ATOM 776 CG ASP A 49 125.665 -12.940 8.228 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.752 -12.915 8.828 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.660 -13.492 8.723 1.00 0.00 O ATOM 0 H ASP A 49 125.244 -11.807 4.442 1.00 0.00 H new ATOM 0 HA ASP A 49 127.277 -13.128 5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.046 -11.319 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.511 -12.123 6.634 1.00 0.00 H new ATOM 783 N PHE A 50 124.505 -14.758 5.306 1.00 0.00 N ATOM 784 CA PHE A 50 123.861 -16.044 5.216 1.00 0.00 C ATOM 785 C PHE A 50 124.625 -16.935 4.224 1.00 0.00 C ATOM 786 O PHE A 50 124.866 -18.116 4.479 1.00 0.00 O ATOM 787 CB PHE A 50 122.372 -15.810 4.843 1.00 0.00 C ATOM 788 CG PHE A 50 121.780 -16.714 3.808 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.539 -18.042 4.068 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.460 -16.206 2.564 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.996 -18.842 3.104 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.916 -17.006 1.595 1.00 0.00 C ATOM 793 CZ PHE A 50 120.685 -18.327 1.864 1.00 0.00 C ATOM 0 H PHE A 50 123.960 -14.004 4.888 1.00 0.00 H new ATOM 0 HA PHE A 50 123.878 -16.579 6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.777 -15.900 5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.268 -14.782 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.780 -18.454 5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.642 -15.163 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.809 -19.885 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.671 -16.597 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.259 -18.966 1.105 1.00 0.00 H new ATOM 803 N LYS A 51 125.047 -16.322 3.139 1.00 0.00 N ATOM 804 CA LYS A 51 125.853 -16.938 2.085 1.00 0.00 C ATOM 805 C LYS A 51 127.183 -17.511 2.635 1.00 0.00 C ATOM 806 O LYS A 51 127.747 -18.433 2.049 1.00 0.00 O ATOM 807 CB LYS A 51 126.131 -15.854 1.034 1.00 0.00 C ATOM 808 CG LYS A 51 127.136 -16.180 -0.047 1.00 0.00 C ATOM 809 CD LYS A 51 127.505 -14.906 -0.784 1.00 0.00 C ATOM 810 CE LYS A 51 128.611 -15.126 -1.784 1.00 0.00 C ATOM 811 NZ LYS A 51 129.053 -13.859 -2.395 1.00 0.00 N ATOM 0 H LYS A 51 124.834 -15.342 2.951 1.00 0.00 H new ATOM 0 HA LYS A 51 125.311 -17.778 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 51 125.187 -15.601 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 51 126.473 -14.959 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 51 128.026 -16.632 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.718 -16.908 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 51 126.625 -14.518 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.814 -14.148 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 51 129.456 -15.607 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.267 -15.806 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 128.941 -13.914 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 128.477 -13.076 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.053 -13.692 -2.164 1.00 0.00 H new ATOM 825 N LYS A 52 127.686 -16.961 3.756 1.00 0.00 N ATOM 826 CA LYS A 52 128.953 -17.452 4.350 1.00 0.00 C ATOM 827 C LYS A 52 128.813 -18.903 4.814 1.00 0.00 C ATOM 828 O LYS A 52 129.812 -19.627 4.939 1.00 0.00 O ATOM 829 CB LYS A 52 129.431 -16.612 5.550 1.00 0.00 C ATOM 830 CG LYS A 52 129.370 -15.107 5.368 1.00 0.00 C ATOM 831 CD LYS A 52 130.158 -14.347 6.445 1.00 0.00 C ATOM 832 CE LYS A 52 129.931 -14.854 7.882 1.00 0.00 C ATOM 833 NZ LYS A 52 128.518 -14.845 8.323 1.00 0.00 N ATOM 0 H LYS A 52 127.248 -16.192 4.263 1.00 0.00 H new ATOM 0 HA LYS A 52 129.694 -17.368 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.829 -16.879 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 52 130.460 -16.890 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 52 129.763 -14.848 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.329 -14.784 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 131.221 -14.414 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.887 -13.292 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.315 -15.871 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 52 130.515 -14.239 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 128.415 -15.438 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 128.230 -13.871 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 127.915 -15.220 7.563 1.00 0.00 H new ATOM 847 N SER A 53 127.601 -19.310 5.082 1.00 0.00 N ATOM 848 CA SER A 53 127.327 -20.649 5.498 1.00 0.00 C ATOM 849 C SER A 53 127.060 -21.517 4.273 1.00 0.00 C ATOM 850 O SER A 53 126.647 -21.021 3.230 1.00 0.00 O ATOM 851 CB SER A 53 126.144 -20.650 6.466 1.00 0.00 C ATOM 852 OG SER A 53 126.460 -19.877 7.631 1.00 0.00 O ATOM 0 H SER A 53 126.775 -18.715 5.016 1.00 0.00 H new ATOM 0 HA SER A 53 128.187 -21.066 6.022 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.262 -20.238 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.900 -21.673 6.754 1.00 0.00 H new ATOM 0 HG SER A 53 125.696 -19.882 8.244 1.00 0.00 H new ATOM 858 N LYS A 54 127.333 -22.789 4.379 1.00 0.00 N ATOM 859 CA LYS A 54 127.140 -23.682 3.264 1.00 0.00 C ATOM 860 C LYS A 54 126.275 -24.866 3.647 1.00 0.00 C ATOM 861 O LYS A 54 125.985 -25.733 2.821 1.00 0.00 O ATOM 862 CB LYS A 54 128.502 -24.103 2.634 1.00 0.00 C ATOM 863 CG LYS A 54 129.509 -24.874 3.520 1.00 0.00 C ATOM 864 CD LYS A 54 129.107 -26.330 3.757 1.00 0.00 C ATOM 865 CE LYS A 54 128.910 -27.078 2.440 1.00 0.00 C ATOM 866 NZ LYS A 54 128.480 -28.469 2.650 1.00 0.00 N ATOM 0 H LYS A 54 127.690 -23.233 5.225 1.00 0.00 H new ATOM 0 HA LYS A 54 126.595 -23.144 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.289 -24.718 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 54 128.997 -23.200 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.492 -24.847 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.600 -24.368 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 129.875 -26.829 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.185 -26.364 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 54 128.167 -26.557 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 54 129.843 -27.069 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 128.359 -28.938 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 129.200 -28.975 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 127.577 -28.479 3.165 1.00 0.00 H new ATOM 880 N GLY A 55 125.868 -24.896 4.895 1.00 0.00 N ATOM 881 CA GLY A 55 125.016 -25.955 5.370 1.00 0.00 C ATOM 882 C GLY A 55 123.609 -25.699 4.915 1.00 0.00 C ATOM 883 O GLY A 55 123.030 -24.698 5.311 1.00 0.00 O ATOM 0 H GLY A 55 126.114 -24.198 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.364 -26.916 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 55 125.055 -26.009 6.458 1.00 0.00 H new ATOM 887 N PRO A 56 123.024 -26.582 4.085 1.00 0.00 N ATOM 888 CA PRO A 56 121.711 -26.355 3.470 1.00 0.00 C ATOM 889 C PRO A 56 120.585 -26.131 4.484 1.00 0.00 C ATOM 890 O PRO A 56 119.649 -25.371 4.221 1.00 0.00 O ATOM 891 CB PRO A 56 121.464 -27.604 2.626 1.00 0.00 C ATOM 892 CG PRO A 56 122.809 -28.216 2.445 1.00 0.00 C ATOM 893 CD PRO A 56 123.589 -27.879 3.678 1.00 0.00 C ATOM 0 HA PRO A 56 121.713 -25.437 2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.782 -28.291 3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.013 -27.350 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.732 -29.296 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.299 -27.823 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.464 -28.635 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.657 -27.807 3.473 1.00 0.00 H new ATOM 901 N GLN A 57 120.701 -26.738 5.652 1.00 0.00 N ATOM 902 CA GLN A 57 119.701 -26.574 6.701 1.00 0.00 C ATOM 903 C GLN A 57 119.764 -25.158 7.241 1.00 0.00 C ATOM 904 O GLN A 57 118.734 -24.502 7.429 1.00 0.00 O ATOM 905 CB GLN A 57 119.876 -27.601 7.839 1.00 0.00 C ATOM 906 CG GLN A 57 119.470 -29.042 7.497 1.00 0.00 C ATOM 907 CD GLN A 57 120.266 -29.672 6.364 1.00 0.00 C ATOM 908 OE1 GLN A 57 119.897 -29.565 5.195 1.00 0.00 O ATOM 909 NE2 GLN A 57 121.331 -30.338 6.690 1.00 0.00 N ATOM 0 H GLN A 57 121.478 -27.350 5.901 1.00 0.00 H new ATOM 0 HA GLN A 57 118.719 -26.756 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.921 -27.600 8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.290 -27.271 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 57 119.582 -29.659 8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 57 118.413 -29.054 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 57 121.609 -30.407 7.669 1.00 0.00 H new ATOM 0 HE22 GLN A 57 121.890 -30.792 5.967 1.00 0.00 H new ATOM 918 N GLN A 58 120.987 -24.684 7.426 1.00 0.00 N ATOM 919 CA GLN A 58 121.275 -23.326 7.877 1.00 0.00 C ATOM 920 C GLN A 58 120.739 -22.333 6.846 1.00 0.00 C ATOM 921 O GLN A 58 120.248 -21.247 7.196 1.00 0.00 O ATOM 922 CB GLN A 58 122.801 -23.149 8.018 1.00 0.00 C ATOM 923 CG GLN A 58 123.264 -21.826 8.622 1.00 0.00 C ATOM 924 CD GLN A 58 122.962 -21.698 10.111 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.000 -22.269 10.630 1.00 0.00 O ATOM 926 NE2 GLN A 58 123.748 -20.925 10.798 1.00 0.00 N ATOM 0 H GLN A 58 121.825 -25.242 7.264 1.00 0.00 H new ATOM 0 HA GLN A 58 120.798 -23.147 8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 58 123.187 -23.962 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 58 123.252 -23.254 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 58 124.338 -21.721 8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.783 -21.005 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 58 124.537 -20.465 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 58 123.577 -20.778 11.793 1.00 0.00 H new ATOM 935 N ILE A 59 120.831 -22.734 5.578 1.00 0.00 N ATOM 936 CA ILE A 59 120.363 -21.941 4.448 1.00 0.00 C ATOM 937 C ILE A 59 118.879 -21.636 4.590 1.00 0.00 C ATOM 938 O ILE A 59 118.471 -20.480 4.514 1.00 0.00 O ATOM 939 CB ILE A 59 120.596 -22.669 3.084 1.00 0.00 C ATOM 940 CG1 ILE A 59 122.052 -23.103 2.915 1.00 0.00 C ATOM 941 CG2 ILE A 59 120.148 -21.828 1.911 1.00 0.00 C ATOM 942 CD1 ILE A 59 123.072 -22.039 3.163 1.00 0.00 C ATOM 0 H ILE A 59 121.238 -23.629 5.307 1.00 0.00 H new ATOM 0 HA ILE A 59 120.940 -21.016 4.452 1.00 0.00 H new ATOM 0 HB ILE A 59 119.979 -23.567 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.247 -23.934 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.185 -23.481 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.328 -22.372 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 59 119.084 -21.611 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.709 -20.893 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 59 124.070 -22.451 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.914 -21.214 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.976 -21.675 4.186 1.00 0.00 H new ATOM 954 N HIS A 60 118.082 -22.684 4.841 1.00 0.00 N ATOM 955 CA HIS A 60 116.617 -22.542 4.989 1.00 0.00 C ATOM 956 C HIS A 60 116.272 -21.538 6.048 1.00 0.00 C ATOM 957 O HIS A 60 115.397 -20.697 5.857 1.00 0.00 O ATOM 958 CB HIS A 60 115.931 -23.857 5.366 1.00 0.00 C ATOM 959 CG HIS A 60 115.916 -24.901 4.314 1.00 0.00 C ATOM 960 ND1 HIS A 60 116.799 -25.858 4.031 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 114.871 -25.077 3.450 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.277 -26.607 3.012 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.109 -26.110 2.681 1.00 0.00 N flip ATOM 0 H HIS A 60 118.421 -23.640 4.947 1.00 0.00 H new ATOM 0 HA HIS A 60 116.260 -22.215 4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.426 -24.264 6.248 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.901 -23.639 5.650 1.00 0.00 H new ATOM 0 HD1 HIS A 60 117.698 -26.005 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 60 113.986 -24.459 3.408 1.00 0.00 H new ATOM 0 HE1 HIS A 60 116.748 -27.465 2.556 1.00 0.00 H new ATOM 972 N LEU A 61 116.966 -21.637 7.153 1.00 0.00 N ATOM 973 CA LEU A 61 116.744 -20.801 8.311 1.00 0.00 C ATOM 974 C LEU A 61 116.997 -19.358 7.967 1.00 0.00 C ATOM 975 O LEU A 61 116.067 -18.549 7.937 1.00 0.00 O ATOM 976 CB LEU A 61 117.695 -21.223 9.406 1.00 0.00 C ATOM 977 CG LEU A 61 117.690 -22.697 9.726 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.799 -23.005 10.682 1.00 0.00 C ATOM 979 CD2 LEU A 61 116.348 -23.125 10.281 1.00 0.00 C ATOM 0 H LEU A 61 117.718 -22.315 7.278 1.00 0.00 H new ATOM 0 HA LEU A 61 115.711 -20.911 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.706 -20.933 9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 61 117.449 -20.670 10.312 1.00 0.00 H new ATOM 0 HG LEU A 61 117.854 -23.262 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.795 -24.070 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.754 -22.735 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.657 -22.434 11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 61 116.370 -24.192 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 61 116.137 -22.568 11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 61 115.569 -22.924 9.545 1.00 0.00 H new ATOM 991 N LYS A 62 118.254 -19.063 7.666 1.00 0.00 N ATOM 992 CA LYS A 62 118.677 -17.701 7.323 1.00 0.00 C ATOM 993 C LYS A 62 117.902 -17.084 6.174 1.00 0.00 C ATOM 994 O LYS A 62 117.396 -15.974 6.315 1.00 0.00 O ATOM 995 CB LYS A 62 120.174 -17.592 7.045 1.00 0.00 C ATOM 996 CG LYS A 62 121.047 -17.354 8.257 1.00 0.00 C ATOM 997 CD LYS A 62 121.064 -18.517 9.202 1.00 0.00 C ATOM 998 CE LYS A 62 121.786 -18.147 10.486 1.00 0.00 C ATOM 999 NZ LYS A 62 121.107 -17.031 11.189 1.00 0.00 N ATOM 0 H LYS A 62 119.008 -19.750 7.651 1.00 0.00 H new ATOM 0 HA LYS A 62 118.446 -17.128 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.503 -18.510 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.336 -16.779 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 62 122.065 -17.144 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.693 -16.469 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.043 -18.825 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.557 -19.368 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.833 -19.016 11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.814 -17.863 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 121.024 -17.257 12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 121.662 -16.159 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 120.158 -16.893 10.786 1.00 0.00 H new ATOM 1013 N ALA A 63 117.792 -17.794 5.057 1.00 0.00 N ATOM 1014 CA ALA A 63 117.117 -17.252 3.886 1.00 0.00 C ATOM 1015 C ALA A 63 115.681 -16.905 4.188 1.00 0.00 C ATOM 1016 O ALA A 63 115.254 -15.794 3.949 1.00 0.00 O ATOM 1017 CB ALA A 63 117.169 -18.207 2.711 1.00 0.00 C ATOM 0 H ALA A 63 118.159 -18.738 4.939 1.00 0.00 H new ATOM 0 HA ALA A 63 117.653 -16.342 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.654 -17.764 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 63 118.208 -18.401 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.682 -19.144 2.982 1.00 0.00 H new ATOM 1023 N LYS A 64 114.952 -17.833 4.759 1.00 0.00 N ATOM 1024 CA LYS A 64 113.543 -17.608 5.008 1.00 0.00 C ATOM 1025 C LYS A 64 113.327 -16.567 6.118 1.00 0.00 C ATOM 1026 O LYS A 64 112.302 -15.872 6.151 1.00 0.00 O ATOM 1027 CB LYS A 64 112.842 -18.918 5.290 1.00 0.00 C ATOM 1028 CG LYS A 64 111.339 -18.850 5.167 1.00 0.00 C ATOM 1029 CD LYS A 64 110.745 -20.235 5.074 1.00 0.00 C ATOM 1030 CE LYS A 64 109.260 -20.180 4.794 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.488 -19.629 5.924 1.00 0.00 N ATOM 0 H LYS A 64 115.303 -18.743 5.058 1.00 0.00 H new ATOM 0 HA LYS A 64 113.093 -17.188 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 64 113.219 -19.675 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.099 -19.246 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.922 -18.328 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.068 -18.273 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 64 111.245 -20.795 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.922 -20.772 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 64 109.084 -19.571 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.900 -21.184 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.472 -19.676 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.685 -20.183 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.762 -18.638 6.082 1.00 0.00 H new ATOM 1045 N ALA A 65 114.303 -16.444 6.996 1.00 0.00 N ATOM 1046 CA ALA A 65 114.288 -15.404 8.012 1.00 0.00 C ATOM 1047 C ALA A 65 114.387 -14.045 7.336 1.00 0.00 C ATOM 1048 O ALA A 65 113.561 -13.166 7.569 1.00 0.00 O ATOM 1049 CB ALA A 65 115.434 -15.582 8.991 1.00 0.00 C ATOM 0 H ALA A 65 115.121 -17.053 7.028 1.00 0.00 H new ATOM 0 HA ALA A 65 113.355 -15.472 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.399 -14.791 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.346 -16.551 9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.382 -15.532 8.455 1.00 0.00 H new ATOM 1055 N ILE A 66 115.382 -13.905 6.461 1.00 0.00 N ATOM 1056 CA ILE A 66 115.617 -12.679 5.692 1.00 0.00 C ATOM 1057 C ILE A 66 114.422 -12.404 4.781 1.00 0.00 C ATOM 1058 O ILE A 66 113.977 -11.271 4.636 1.00 0.00 O ATOM 1059 CB ILE A 66 116.930 -12.805 4.854 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.131 -12.967 5.794 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.126 -11.605 3.920 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.443 -13.234 5.092 1.00 0.00 C ATOM 0 H ILE A 66 116.055 -14.645 6.263 1.00 0.00 H new ATOM 0 HA ILE A 66 115.733 -11.843 6.382 1.00 0.00 H new ATOM 0 HB ILE A 66 116.847 -13.690 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.232 -12.063 6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.929 -13.786 6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.050 -11.731 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.285 -11.540 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.183 -10.690 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.237 -13.335 5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.366 -14.155 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.673 -12.405 4.423 1.00 0.00 H new ATOM 1074 N TYR A 67 113.909 -13.460 4.207 1.00 0.00 N ATOM 1075 CA TYR A 67 112.729 -13.431 3.386 1.00 0.00 C ATOM 1076 C TYR A 67 111.562 -12.775 4.130 1.00 0.00 C ATOM 1077 O TYR A 67 111.109 -11.710 3.750 1.00 0.00 O ATOM 1078 CB TYR A 67 112.376 -14.860 2.979 1.00 0.00 C ATOM 1079 CG TYR A 67 111.071 -14.992 2.276 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.919 -14.538 0.995 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.984 -15.549 2.914 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.715 -14.627 0.354 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.779 -15.655 2.293 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.638 -15.197 1.016 1.00 0.00 C ATOM 1085 OH TYR A 67 107.416 -15.295 0.406 1.00 0.00 O ATOM 0 H TYR A 67 114.313 -14.392 4.301 1.00 0.00 H new ATOM 0 HA TYR A 67 112.924 -12.836 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.164 -15.246 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.360 -15.486 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.763 -14.102 0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 67 110.091 -15.908 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.604 -14.258 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.939 -16.099 2.807 1.00 0.00 H new ATOM 0 HH TYR A 67 106.801 -14.641 0.799 1.00 0.00 H new ATOM 1095 N GLU A 68 111.148 -13.365 5.227 1.00 0.00 N ATOM 1096 CA GLU A 68 109.989 -12.880 5.976 1.00 0.00 C ATOM 1097 C GLU A 68 110.266 -11.597 6.756 1.00 0.00 C ATOM 1098 O GLU A 68 109.357 -11.002 7.325 1.00 0.00 O ATOM 1099 CB GLU A 68 109.473 -13.962 6.895 1.00 0.00 C ATOM 1100 CG GLU A 68 108.841 -15.128 6.163 1.00 0.00 C ATOM 1101 CD GLU A 68 108.446 -16.243 7.080 1.00 0.00 C ATOM 1102 OE1 GLU A 68 107.461 -16.096 7.841 1.00 0.00 O ATOM 1103 OE2 GLU A 68 109.090 -17.295 7.058 1.00 0.00 O ATOM 0 H GLU A 68 111.594 -14.189 5.631 1.00 0.00 H new ATOM 0 HA GLU A 68 109.224 -12.629 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.296 -14.331 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.739 -13.530 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 68 107.961 -14.778 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.542 -15.507 5.419 1.00 0.00 H new ATOM 1110 N LYS A 69 111.500 -11.193 6.786 1.00 0.00 N ATOM 1111 CA LYS A 69 111.888 -9.981 7.472 1.00 0.00 C ATOM 1112 C LYS A 69 112.000 -8.813 6.486 1.00 0.00 C ATOM 1113 O LYS A 69 111.809 -7.661 6.858 1.00 0.00 O ATOM 1114 CB LYS A 69 113.230 -10.214 8.175 1.00 0.00 C ATOM 1115 CG LYS A 69 113.750 -9.071 9.022 1.00 0.00 C ATOM 1116 CD LYS A 69 115.091 -9.445 9.628 1.00 0.00 C ATOM 1117 CE LYS A 69 115.667 -8.329 10.475 1.00 0.00 C ATOM 1118 NZ LYS A 69 114.894 -8.087 11.712 1.00 0.00 N ATOM 0 H LYS A 69 112.271 -11.688 6.339 1.00 0.00 H new ATOM 0 HA LYS A 69 111.127 -9.726 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.136 -11.095 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.978 -10.446 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 69 113.854 -8.173 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.036 -8.838 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 69 114.975 -10.340 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 69 115.792 -9.693 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.696 -8.574 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.698 -7.412 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 115.372 -7.361 12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 113.938 -7.760 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 114.828 -8.969 12.258 1.00 0.00 H new ATOM 1132 N PHE A 70 112.235 -9.120 5.220 1.00 0.00 N ATOM 1133 CA PHE A 70 112.526 -8.096 4.225 1.00 0.00 C ATOM 1134 C PHE A 70 111.729 -8.314 2.948 1.00 0.00 C ATOM 1135 O PHE A 70 110.925 -7.476 2.555 1.00 0.00 O ATOM 1136 CB PHE A 70 114.029 -8.096 3.851 1.00 0.00 C ATOM 1137 CG PHE A 70 114.999 -7.651 4.915 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.216 -6.303 5.146 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.713 -8.575 5.657 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.122 -5.884 6.101 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.625 -8.162 6.609 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.827 -6.815 6.833 1.00 0.00 C ATOM 0 H PHE A 70 112.230 -10.072 4.855 1.00 0.00 H new ATOM 0 HA PHE A 70 112.248 -7.142 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.302 -9.106 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.162 -7.453 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.670 -5.569 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.556 -9.630 5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.278 -4.829 6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.180 -8.893 7.178 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.536 -6.491 7.580 1.00 0.00 H new ATOM 1152 N ILE A 71 111.959 -9.464 2.333 1.00 0.00 N ATOM 1153 CA ILE A 71 111.401 -9.835 1.017 1.00 0.00 C ATOM 1154 C ILE A 71 109.875 -9.940 1.070 1.00 0.00 C ATOM 1155 O ILE A 71 109.179 -9.801 0.058 1.00 0.00 O ATOM 1156 CB ILE A 71 111.998 -11.216 0.565 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.523 -11.195 0.582 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.482 -11.683 -0.803 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.136 -10.205 -0.362 1.00 0.00 C ATOM 0 H ILE A 71 112.551 -10.191 2.735 1.00 0.00 H new ATOM 0 HA ILE A 71 111.669 -9.056 0.303 1.00 0.00 H new ATOM 0 HB ILE A 71 111.647 -11.943 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.861 -10.972 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.891 -12.191 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.934 -12.643 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.398 -11.791 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.747 -10.947 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.222 -10.255 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.832 -10.439 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.800 -9.200 -0.104 1.00 0.00 H new ATOM 1171 N GLN A 72 109.371 -10.196 2.240 1.00 0.00 N ATOM 1172 CA GLN A 72 107.960 -10.367 2.430 1.00 0.00 C ATOM 1173 C GLN A 72 107.210 -9.021 2.293 1.00 0.00 C ATOM 1174 O GLN A 72 107.749 -7.957 2.603 1.00 0.00 O ATOM 1175 CB GLN A 72 107.707 -11.053 3.776 1.00 0.00 C ATOM 1176 CG GLN A 72 106.271 -11.459 4.021 1.00 0.00 C ATOM 1177 CD GLN A 72 105.701 -12.322 2.903 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.420 -13.053 2.219 1.00 0.00 O ATOM 1179 NE2 GLN A 72 104.419 -12.269 2.735 1.00 0.00 N ATOM 0 H GLN A 72 109.926 -10.292 3.091 1.00 0.00 H new ATOM 0 HA GLN A 72 107.562 -11.012 1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.337 -11.941 3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.021 -10.381 4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.208 -12.005 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.659 -10.564 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 72 103.853 -11.653 3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 72 103.974 -12.843 2.019 1.00 0.00 H new ATOM 1188 N THR A 73 105.992 -9.082 1.806 1.00 0.00 N ATOM 1189 CA THR A 73 105.181 -7.896 1.586 1.00 0.00 C ATOM 1190 C THR A 73 104.724 -7.335 2.918 1.00 0.00 C ATOM 1191 O THR A 73 104.750 -6.136 3.167 1.00 0.00 O ATOM 1192 CB THR A 73 103.957 -8.272 0.734 1.00 0.00 C ATOM 1193 OG1 THR A 73 103.144 -9.227 1.448 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.427 -8.929 -0.517 1.00 0.00 C ATOM 0 H THR A 73 105.530 -9.955 1.549 1.00 0.00 H new ATOM 0 HA THR A 73 105.771 -7.141 1.066 1.00 0.00 H new ATOM 0 HB THR A 73 103.382 -7.372 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 73 102.364 -9.464 0.904 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.568 -9.201 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 73 105.066 -8.241 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.992 -9.827 -0.266 1.00 0.00 H new ATOM 1202 N ASP A 74 104.332 -8.232 3.767 1.00 0.00 N ATOM 1203 CA ASP A 74 103.889 -7.910 5.119 1.00 0.00 C ATOM 1204 C ASP A 74 105.044 -8.007 6.097 1.00 0.00 C ATOM 1205 O ASP A 74 104.849 -8.131 7.305 1.00 0.00 O ATOM 1206 CB ASP A 74 102.737 -8.827 5.557 1.00 0.00 C ATOM 1207 CG ASP A 74 103.098 -10.289 5.588 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.012 -10.943 4.539 1.00 0.00 O ATOM 1209 OD2 ASP A 74 103.459 -10.828 6.668 1.00 0.00 O ATOM 0 H ASP A 74 104.304 -9.229 3.553 1.00 0.00 H new ATOM 0 HA ASP A 74 103.522 -6.884 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.402 -8.525 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 74 101.895 -8.685 4.879 1.00 0.00 H new ATOM 1214 N ALA A 75 106.252 -7.904 5.572 1.00 0.00 N ATOM 1215 CA ALA A 75 107.448 -7.951 6.381 1.00 0.00 C ATOM 1216 C ALA A 75 107.536 -6.717 7.244 1.00 0.00 C ATOM 1217 O ALA A 75 106.996 -5.666 6.885 1.00 0.00 O ATOM 1218 CB ALA A 75 108.681 -8.018 5.510 1.00 0.00 C ATOM 0 H ALA A 75 106.427 -7.786 4.574 1.00 0.00 H new ATOM 0 HA ALA A 75 107.397 -8.843 7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.570 -8.053 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.640 -8.914 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.723 -7.136 4.871 1.00 0.00 H new ATOM 1224 N PRO A 76 108.224 -6.814 8.384 1.00 0.00 N ATOM 1225 CA PRO A 76 108.424 -5.680 9.282 1.00 0.00 C ATOM 1226 C PRO A 76 109.255 -4.591 8.607 1.00 0.00 C ATOM 1227 O PRO A 76 109.125 -3.408 8.917 1.00 0.00 O ATOM 1228 CB PRO A 76 109.194 -6.283 10.464 1.00 0.00 C ATOM 1229 CG PRO A 76 109.793 -7.538 9.933 1.00 0.00 C ATOM 1230 CD PRO A 76 108.844 -8.047 8.907 1.00 0.00 C ATOM 0 HA PRO A 76 107.486 -5.209 9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 76 109.963 -5.600 10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.531 -6.487 11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.773 -7.347 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.935 -8.269 10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.358 -8.604 8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.103 -8.718 9.341 1.00 0.00 H new ATOM 1238 N LYS A 77 110.102 -4.999 7.676 1.00 0.00 N ATOM 1239 CA LYS A 77 110.914 -4.056 6.953 1.00 0.00 C ATOM 1240 C LYS A 77 110.235 -3.661 5.670 1.00 0.00 C ATOM 1241 O LYS A 77 109.963 -2.482 5.462 1.00 0.00 O ATOM 1242 CB LYS A 77 112.315 -4.605 6.692 1.00 0.00 C ATOM 1243 CG LYS A 77 113.133 -4.805 7.956 1.00 0.00 C ATOM 1244 CD LYS A 77 113.275 -3.493 8.687 1.00 0.00 C ATOM 1245 CE LYS A 77 114.162 -3.599 9.904 1.00 0.00 C ATOM 1246 NZ LYS A 77 114.327 -2.284 10.550 1.00 0.00 N ATOM 0 H LYS A 77 110.239 -5.974 7.410 1.00 0.00 H new ATOM 0 HA LYS A 77 111.030 -3.165 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.232 -5.557 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 77 112.846 -3.922 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.650 -5.540 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.117 -5.200 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 77 113.684 -2.745 8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 77 112.289 -3.142 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 77 113.731 -4.306 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 77 115.137 -3.992 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 115.319 -2.159 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.062 -1.533 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 113.716 -2.231 11.390 1.00 0.00 H new ATOM 1260 N GLU A 78 109.942 -4.669 4.830 1.00 0.00 N ATOM 1261 CA GLU A 78 109.263 -4.499 3.540 1.00 0.00 C ATOM 1262 C GLU A 78 110.197 -3.721 2.579 1.00 0.00 C ATOM 1263 O GLU A 78 110.466 -2.521 2.758 1.00 0.00 O ATOM 1264 CB GLU A 78 107.881 -3.821 3.768 1.00 0.00 C ATOM 1265 CG GLU A 78 106.884 -3.874 2.619 1.00 0.00 C ATOM 1266 CD GLU A 78 107.222 -3.001 1.460 1.00 0.00 C ATOM 1267 OE1 GLU A 78 106.999 -1.777 1.540 1.00 0.00 O ATOM 1268 OE2 GLU A 78 107.685 -3.513 0.445 1.00 0.00 O ATOM 0 H GLU A 78 110.176 -5.640 5.035 1.00 0.00 H new ATOM 0 HA GLU A 78 109.056 -5.459 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 78 107.417 -4.283 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.055 -2.774 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 78 106.807 -4.904 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 105.901 -3.590 2.995 1.00 0.00 H new ATOM 1275 N VAL A 79 110.695 -4.397 1.584 1.00 0.00 N ATOM 1276 CA VAL A 79 111.721 -3.830 0.731 1.00 0.00 C ATOM 1277 C VAL A 79 111.134 -3.367 -0.583 1.00 0.00 C ATOM 1278 O VAL A 79 110.237 -4.001 -1.129 1.00 0.00 O ATOM 1279 CB VAL A 79 112.857 -4.862 0.451 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.019 -4.243 -0.312 1.00 0.00 C ATOM 1281 CG2 VAL A 79 113.351 -5.469 1.732 1.00 0.00 C ATOM 0 H VAL A 79 110.412 -5.345 1.336 1.00 0.00 H new ATOM 0 HA VAL A 79 112.143 -2.974 1.259 1.00 0.00 H new ATOM 0 HB VAL A 79 112.428 -5.644 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 79 114.785 -4.999 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 79 113.664 -3.862 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 79 114.441 -3.424 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.143 -6.186 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 79 113.741 -4.684 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 79 112.529 -5.979 2.234 1.00 0.00 H new ATOM 1291 N ASN A 80 111.690 -2.292 -1.110 1.00 0.00 N ATOM 1292 CA ASN A 80 111.286 -1.702 -2.401 1.00 0.00 C ATOM 1293 C ASN A 80 111.960 -2.466 -3.531 1.00 0.00 C ATOM 1294 O ASN A 80 112.354 -1.909 -4.555 1.00 0.00 O ATOM 1295 CB ASN A 80 111.726 -0.242 -2.446 1.00 0.00 C ATOM 1296 CG ASN A 80 111.248 0.519 -1.245 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.947 0.617 -0.240 1.00 0.00 O ATOM 1298 ND2 ASN A 80 110.071 1.026 -1.302 1.00 0.00 N ATOM 0 H ASN A 80 112.450 -1.785 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 80 110.203 -1.761 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 80 112.813 -0.191 -2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 80 111.340 0.227 -3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 80 109.692 1.527 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 80 109.514 0.928 -2.151 1.00 0.00 H new ATOM 1305 N LEU A 81 112.028 -3.744 -3.340 1.00 0.00 N ATOM 1306 CA LEU A 81 112.670 -4.666 -4.211 1.00 0.00 C ATOM 1307 C LEU A 81 111.759 -4.985 -5.373 1.00 0.00 C ATOM 1308 O LEU A 81 110.538 -5.009 -5.219 1.00 0.00 O ATOM 1309 CB LEU A 81 112.997 -5.924 -3.394 1.00 0.00 C ATOM 1310 CG LEU A 81 113.574 -7.138 -4.106 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.927 -6.843 -4.609 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.621 -8.325 -3.175 1.00 0.00 C ATOM 0 H LEU A 81 111.612 -4.194 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 81 113.590 -4.249 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.701 -5.635 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.080 -6.240 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 81 112.927 -7.378 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.326 -7.721 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.881 -6.009 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.576 -6.580 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 81 114.037 -9.184 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 81 114.248 -8.088 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.613 -8.561 -2.835 1.00 0.00 H new ATOM 1324 N ASP A 82 112.364 -5.193 -6.522 1.00 0.00 N ATOM 1325 CA ASP A 82 111.667 -5.548 -7.754 1.00 0.00 C ATOM 1326 C ASP A 82 110.694 -6.703 -7.561 1.00 0.00 C ATOM 1327 O ASP A 82 111.056 -7.767 -7.024 1.00 0.00 O ATOM 1328 CB ASP A 82 112.672 -5.877 -8.848 1.00 0.00 C ATOM 1329 CG ASP A 82 112.039 -6.539 -10.044 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.311 -5.878 -10.800 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.241 -7.756 -10.221 1.00 0.00 O ATOM 0 H ASP A 82 113.375 -5.120 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 82 111.076 -4.682 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.168 -4.960 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.443 -6.532 -8.442 1.00 0.00 H new ATOM 1336 N PHE A 83 109.465 -6.477 -8.004 1.00 0.00 N ATOM 1337 CA PHE A 83 108.354 -7.424 -7.880 1.00 0.00 C ATOM 1338 C PHE A 83 108.682 -8.799 -8.468 1.00 0.00 C ATOM 1339 O PHE A 83 108.278 -9.824 -7.922 1.00 0.00 O ATOM 1340 CB PHE A 83 107.066 -6.849 -8.523 1.00 0.00 C ATOM 1341 CG PHE A 83 107.138 -6.651 -10.021 1.00 0.00 C ATOM 1342 CD1 PHE A 83 107.770 -5.547 -10.566 1.00 0.00 C ATOM 1343 CD2 PHE A 83 106.581 -7.583 -10.879 1.00 0.00 C ATOM 1344 CE1 PHE A 83 107.845 -5.379 -11.932 1.00 0.00 C ATOM 1345 CE2 PHE A 83 106.655 -7.419 -12.241 1.00 0.00 C ATOM 1346 CZ PHE A 83 107.289 -6.315 -12.769 1.00 0.00 C ATOM 0 H PHE A 83 109.201 -5.610 -8.472 1.00 0.00 H new ATOM 0 HA PHE A 83 108.183 -7.568 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.235 -7.518 -8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.839 -5.891 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 83 108.210 -4.808 -9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.082 -8.450 -10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 83 108.341 -4.512 -12.344 1.00 0.00 H new ATOM 0 HE2 PHE A 83 106.216 -8.155 -12.898 1.00 0.00 H new ATOM 0 HZ PHE A 83 107.348 -6.186 -13.840 1.00 0.00 H new ATOM 1356 N HIS A 84 109.440 -8.818 -9.549 1.00 0.00 N ATOM 1357 CA HIS A 84 109.782 -10.054 -10.226 1.00 0.00 C ATOM 1358 C HIS A 84 110.868 -10.803 -9.463 1.00 0.00 C ATOM 1359 O HIS A 84 110.848 -12.026 -9.381 1.00 0.00 O ATOM 1360 CB HIS A 84 110.177 -9.767 -11.683 1.00 0.00 C ATOM 1361 CG HIS A 84 110.690 -10.946 -12.458 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.984 -12.119 -12.640 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.865 -11.123 -13.093 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.704 -12.948 -13.352 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.845 -12.370 -13.637 1.00 0.00 N ATOM 0 H HIS A 84 109.834 -7.982 -9.980 1.00 0.00 H new ATOM 0 HA HIS A 84 108.909 -10.706 -10.249 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.309 -9.362 -12.203 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.942 -8.991 -11.687 1.00 0.00 H new ATOM 0 HD1 HIS A 84 109.050 -12.309 -12.277 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.672 -10.408 -13.158 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.408 -13.942 -13.654 1.00 0.00 H new ATOM 1374 N THR A 85 111.789 -10.071 -8.913 1.00 0.00 N ATOM 1375 CA THR A 85 112.829 -10.634 -8.097 1.00 0.00 C ATOM 1376 C THR A 85 112.218 -11.269 -6.839 1.00 0.00 C ATOM 1377 O THR A 85 112.502 -12.428 -6.520 1.00 0.00 O ATOM 1378 CB THR A 85 113.843 -9.546 -7.724 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.370 -8.970 -8.936 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.981 -10.119 -6.885 1.00 0.00 C ATOM 0 H THR A 85 111.843 -9.058 -9.017 1.00 0.00 H new ATOM 0 HA THR A 85 113.349 -11.412 -8.656 1.00 0.00 H new ATOM 0 HB THR A 85 113.342 -8.782 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.680 -8.421 -9.364 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.685 -9.325 -6.635 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.577 -10.547 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.496 -10.895 -7.452 1.00 0.00 H new ATOM 1388 N LYS A 86 111.334 -10.515 -6.169 1.00 0.00 N ATOM 1389 CA LYS A 86 110.634 -11.010 -4.979 1.00 0.00 C ATOM 1390 C LYS A 86 109.829 -12.255 -5.335 1.00 0.00 C ATOM 1391 O LYS A 86 109.805 -13.219 -4.585 1.00 0.00 O ATOM 1392 CB LYS A 86 109.709 -9.940 -4.382 1.00 0.00 C ATOM 1393 CG LYS A 86 110.416 -8.675 -3.958 1.00 0.00 C ATOM 1394 CD LYS A 86 109.469 -7.630 -3.383 1.00 0.00 C ATOM 1395 CE LYS A 86 108.467 -7.169 -4.419 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.637 -6.062 -3.940 1.00 0.00 N ATOM 0 H LYS A 86 111.088 -9.561 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 86 111.383 -11.260 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.944 -9.686 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 86 109.194 -10.362 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 86 111.173 -8.920 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.938 -8.252 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 86 108.942 -8.046 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 86 110.042 -6.776 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 86 108.997 -6.859 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 86 107.826 -8.005 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 106.967 -5.783 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.110 -6.363 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 108.244 -5.253 -3.698 1.00 0.00 H new ATOM 1410 N GLU A 87 109.212 -12.219 -6.510 1.00 0.00 N ATOM 1411 CA GLU A 87 108.446 -13.327 -7.067 1.00 0.00 C ATOM 1412 C GLU A 87 109.282 -14.616 -7.074 1.00 0.00 C ATOM 1413 O GLU A 87 108.882 -15.635 -6.486 1.00 0.00 O ATOM 1414 CB GLU A 87 108.016 -12.942 -8.483 1.00 0.00 C ATOM 1415 CG GLU A 87 107.332 -14.012 -9.290 1.00 0.00 C ATOM 1416 CD GLU A 87 106.975 -13.504 -10.663 1.00 0.00 C ATOM 1417 OE1 GLU A 87 107.878 -13.403 -11.537 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.798 -13.172 -10.893 1.00 0.00 O ATOM 0 H GLU A 87 109.231 -11.399 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 87 107.565 -13.520 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.346 -12.085 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.899 -12.614 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.985 -14.880 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.430 -14.342 -8.774 1.00 0.00 H new ATOM 1425 N VAL A 88 110.457 -14.552 -7.669 1.00 0.00 N ATOM 1426 CA VAL A 88 111.335 -15.711 -7.742 1.00 0.00 C ATOM 1427 C VAL A 88 111.704 -16.201 -6.331 1.00 0.00 C ATOM 1428 O VAL A 88 111.654 -17.406 -6.050 1.00 0.00 O ATOM 1429 CB VAL A 88 112.619 -15.424 -8.564 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.483 -16.673 -8.655 1.00 0.00 C ATOM 1431 CG2 VAL A 88 112.263 -14.928 -9.959 1.00 0.00 C ATOM 0 H VAL A 88 110.829 -13.711 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 88 110.785 -16.496 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 88 113.184 -14.645 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 88 114.379 -16.454 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.768 -16.992 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.921 -17.469 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 88 113.177 -14.732 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 88 111.675 -15.687 -10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.681 -14.009 -9.881 1.00 0.00 H new ATOM 1441 N ILE A 89 111.997 -15.261 -5.434 1.00 0.00 N ATOM 1442 CA ILE A 89 112.366 -15.593 -4.058 1.00 0.00 C ATOM 1443 C ILE A 89 111.203 -16.292 -3.348 1.00 0.00 C ATOM 1444 O ILE A 89 111.392 -17.330 -2.732 1.00 0.00 O ATOM 1445 CB ILE A 89 112.782 -14.343 -3.236 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.885 -13.564 -3.957 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.257 -14.754 -1.837 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.284 -12.286 -3.254 1.00 0.00 C ATOM 0 H ILE A 89 111.986 -14.261 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 89 113.227 -16.259 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 89 111.910 -13.697 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.763 -14.203 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.548 -13.324 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.545 -13.866 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.450 -15.268 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 89 114.115 -15.421 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.070 -11.788 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.419 -11.628 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.652 -12.520 -2.255 1.00 0.00 H new ATOM 1460 N THR A 90 109.994 -15.745 -3.486 1.00 0.00 N ATOM 1461 CA THR A 90 108.809 -16.316 -2.835 1.00 0.00 C ATOM 1462 C THR A 90 108.547 -17.755 -3.295 1.00 0.00 C ATOM 1463 O THR A 90 107.979 -18.563 -2.559 1.00 0.00 O ATOM 1464 CB THR A 90 107.532 -15.448 -3.059 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.237 -15.306 -4.460 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.695 -14.066 -2.462 1.00 0.00 C ATOM 0 H THR A 90 109.808 -14.910 -4.041 1.00 0.00 H new ATOM 0 HA THR A 90 109.028 -16.324 -1.767 1.00 0.00 H new ATOM 0 HB THR A 90 106.711 -15.966 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 90 108.031 -15.535 -4.986 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.789 -13.486 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.872 -14.151 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.542 -13.565 -2.931 1.00 0.00 H new ATOM 1474 N ASN A 91 108.999 -18.069 -4.499 1.00 0.00 N ATOM 1475 CA ASN A 91 108.808 -19.394 -5.076 1.00 0.00 C ATOM 1476 C ASN A 91 110.013 -20.297 -4.827 1.00 0.00 C ATOM 1477 O ASN A 91 109.937 -21.503 -5.013 1.00 0.00 O ATOM 1478 CB ASN A 91 108.560 -19.283 -6.587 1.00 0.00 C ATOM 1479 CG ASN A 91 107.308 -18.499 -6.926 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.325 -18.513 -6.184 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.334 -17.793 -8.026 1.00 0.00 N ATOM 0 H ASN A 91 109.505 -17.420 -5.101 1.00 0.00 H new ATOM 0 HA ASN A 91 107.940 -19.839 -4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.420 -18.805 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.481 -20.284 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 91 106.524 -17.232 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 91 108.164 -17.803 -8.619 1.00 0.00 H new ATOM 1488 N SER A 92 111.116 -19.727 -4.405 1.00 0.00 N ATOM 1489 CA SER A 92 112.326 -20.509 -4.221 1.00 0.00 C ATOM 1490 C SER A 92 112.845 -20.436 -2.781 1.00 0.00 C ATOM 1491 O SER A 92 113.932 -20.910 -2.486 1.00 0.00 O ATOM 1492 CB SER A 92 113.398 -20.006 -5.189 1.00 0.00 C ATOM 1493 OG SER A 92 112.892 -19.955 -6.523 1.00 0.00 O ATOM 0 H SER A 92 111.206 -18.736 -4.183 1.00 0.00 H new ATOM 0 HA SER A 92 112.090 -21.553 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 92 113.733 -19.015 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 92 114.267 -20.663 -5.150 1.00 0.00 H new ATOM 0 HG SER A 92 112.400 -19.118 -6.654 1.00 0.00 H new ATOM 1499 N ILE A 93 112.055 -19.886 -1.885 1.00 0.00 N ATOM 1500 CA ILE A 93 112.506 -19.701 -0.515 1.00 0.00 C ATOM 1501 C ILE A 93 112.266 -20.985 0.292 1.00 0.00 C ATOM 1502 O ILE A 93 112.877 -21.216 1.341 1.00 0.00 O ATOM 1503 CB ILE A 93 111.820 -18.478 0.164 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.584 -18.071 1.418 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.364 -18.765 0.490 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.953 -17.494 1.116 1.00 0.00 C ATOM 0 H ILE A 93 111.107 -19.561 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 93 113.575 -19.491 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 93 111.839 -17.648 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.999 -17.335 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.697 -18.940 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.918 -17.890 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.824 -18.996 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 93 110.304 -19.615 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.448 -17.223 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.553 -18.236 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.844 -16.607 0.492 1.00 0.00 H new ATOM 1518 N THR A 94 111.350 -21.796 -0.196 1.00 0.00 N ATOM 1519 CA THR A 94 111.090 -23.111 0.362 1.00 0.00 C ATOM 1520 C THR A 94 112.345 -24.014 0.226 1.00 0.00 C ATOM 1521 O THR A 94 112.587 -24.898 1.046 1.00 0.00 O ATOM 1522 CB THR A 94 109.848 -23.775 -0.315 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.577 -25.061 0.270 1.00 0.00 O ATOM 1524 CG2 THR A 94 110.049 -23.922 -1.826 1.00 0.00 C ATOM 0 H THR A 94 110.761 -21.562 -0.995 1.00 0.00 H new ATOM 0 HA THR A 94 110.864 -22.993 1.422 1.00 0.00 H new ATOM 0 HB THR A 94 108.993 -23.120 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.795 -25.460 -0.166 1.00 0.00 H new ATOM 0 HG21 THR A 94 109.167 -24.387 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 94 110.201 -22.938 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.922 -24.545 -2.018 1.00 0.00 H new ATOM 1532 N GLN A 95 113.150 -23.745 -0.777 1.00 0.00 N ATOM 1533 CA GLN A 95 114.378 -24.469 -1.010 1.00 0.00 C ATOM 1534 C GLN A 95 115.464 -23.485 -1.442 1.00 0.00 C ATOM 1535 O GLN A 95 115.850 -23.415 -2.616 1.00 0.00 O ATOM 1536 CB GLN A 95 114.199 -25.611 -2.033 1.00 0.00 C ATOM 1537 CG GLN A 95 113.533 -25.195 -3.343 1.00 0.00 C ATOM 1538 CD GLN A 95 113.634 -26.243 -4.433 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.659 -25.911 -5.620 1.00 0.00 O ATOM 1540 NE2 GLN A 95 113.710 -27.490 -4.073 1.00 0.00 N ATOM 0 H GLN A 95 112.968 -23.010 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 95 114.681 -24.950 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 95 115.177 -26.036 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 95 113.605 -26.402 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.481 -24.979 -3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 95 113.990 -24.270 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 95 113.687 -27.738 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 95 113.793 -28.221 -4.780 1.00 0.00 H new ATOM 1549 N PRO A 96 115.939 -22.672 -0.510 1.00 0.00 N ATOM 1550 CA PRO A 96 116.883 -21.627 -0.817 1.00 0.00 C ATOM 1551 C PRO A 96 118.293 -22.150 -1.023 1.00 0.00 C ATOM 1552 O PRO A 96 118.603 -23.310 -0.704 1.00 0.00 O ATOM 1553 CB PRO A 96 116.814 -20.724 0.402 1.00 0.00 C ATOM 1554 CG PRO A 96 116.461 -21.634 1.519 1.00 0.00 C ATOM 1555 CD PRO A 96 115.613 -22.713 0.925 1.00 0.00 C ATOM 0 HA PRO A 96 116.640 -21.122 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.767 -20.226 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 96 116.065 -19.942 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.357 -22.051 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.921 -21.100 2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.843 -23.686 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.553 -22.529 1.099 1.00 0.00 H new ATOM 1563 N THR A 97 119.114 -21.299 -1.541 1.00 0.00 N ATOM 1564 CA THR A 97 120.488 -21.554 -1.820 1.00 0.00 C ATOM 1565 C THR A 97 121.277 -20.277 -1.516 1.00 0.00 C ATOM 1566 O THR A 97 120.674 -19.249 -1.182 1.00 0.00 O ATOM 1567 CB THR A 97 120.660 -21.978 -3.299 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.765 -21.210 -4.129 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.381 -23.458 -3.484 1.00 0.00 C ATOM 0 H THR A 97 118.828 -20.354 -1.795 1.00 0.00 H new ATOM 0 HA THR A 97 120.861 -22.370 -1.201 1.00 0.00 H new ATOM 0 HB THR A 97 121.693 -21.787 -3.590 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.876 -21.478 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.510 -23.724 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.074 -24.038 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.358 -23.676 -3.178 1.00 0.00 H new ATOM 1577 N LEU A 98 122.593 -20.322 -1.647 1.00 0.00 N ATOM 1578 CA LEU A 98 123.460 -19.165 -1.336 1.00 0.00 C ATOM 1579 C LEU A 98 123.151 -17.927 -2.161 1.00 0.00 C ATOM 1580 O LEU A 98 123.480 -16.810 -1.762 1.00 0.00 O ATOM 1581 CB LEU A 98 124.944 -19.508 -1.488 1.00 0.00 C ATOM 1582 CG LEU A 98 125.673 -20.063 -0.262 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.038 -21.334 0.264 1.00 0.00 C ATOM 1584 CD2 LEU A 98 127.129 -20.291 -0.595 1.00 0.00 C ATOM 0 H LEU A 98 123.100 -21.147 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 98 123.240 -18.931 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 98 125.040 -20.236 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.466 -18.607 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 98 125.592 -19.323 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.594 -21.685 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.005 -21.133 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 98 125.057 -22.099 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.645 -20.686 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 98 127.207 -21.005 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.587 -19.347 -0.891 1.00 0.00 H new ATOM 1596 N HIS A 99 122.554 -18.103 -3.310 1.00 0.00 N ATOM 1597 CA HIS A 99 122.249 -16.974 -4.164 1.00 0.00 C ATOM 1598 C HIS A 99 120.749 -16.771 -4.344 1.00 0.00 C ATOM 1599 O HIS A 99 120.300 -16.261 -5.369 1.00 0.00 O ATOM 1600 CB HIS A 99 122.998 -17.071 -5.513 1.00 0.00 C ATOM 1601 CG HIS A 99 124.494 -16.945 -5.364 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.187 -15.751 -5.496 1.00 0.00 N ATOM 1603 CD2 HIS A 99 125.424 -17.866 -5.036 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.460 -15.952 -5.244 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.629 -17.226 -4.964 1.00 0.00 N ATOM 0 H HIS A 99 122.269 -19.010 -3.679 1.00 0.00 H new ATOM 0 HA HIS A 99 122.613 -16.080 -3.658 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.764 -18.025 -5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.637 -16.288 -6.180 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.772 -14.855 -5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 99 125.248 -18.917 -4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.235 -15.200 -5.263 1.00 0.00 H new ATOM 1614 N SER A 100 119.978 -17.104 -3.320 1.00 0.00 N ATOM 1615 CA SER A 100 118.538 -16.871 -3.336 1.00 0.00 C ATOM 1616 C SER A 100 118.181 -15.374 -3.389 1.00 0.00 C ATOM 1617 O SER A 100 117.161 -14.993 -3.974 1.00 0.00 O ATOM 1618 CB SER A 100 117.849 -17.577 -2.153 1.00 0.00 C ATOM 1619 OG SER A 100 117.941 -18.976 -2.326 1.00 0.00 O ATOM 0 H SER A 100 120.325 -17.538 -2.464 1.00 0.00 H new ATOM 0 HA SER A 100 118.157 -17.310 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 100 118.320 -17.283 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.804 -17.274 -2.093 1.00 0.00 H new ATOM 0 HG SER A 100 117.162 -19.296 -2.827 1.00 0.00 H new ATOM 1625 N PHE A 101 119.032 -14.531 -2.825 1.00 0.00 N ATOM 1626 CA PHE A 101 118.784 -13.098 -2.828 1.00 0.00 C ATOM 1627 C PHE A 101 119.822 -12.401 -3.695 1.00 0.00 C ATOM 1628 O PHE A 101 119.986 -11.198 -3.616 1.00 0.00 O ATOM 1629 CB PHE A 101 118.868 -12.516 -1.412 1.00 0.00 C ATOM 1630 CG PHE A 101 118.059 -13.225 -0.375 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.707 -12.986 -0.238 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.664 -14.129 0.474 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.979 -13.642 0.730 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.940 -14.780 1.436 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.598 -14.534 1.561 1.00 0.00 C ATOM 0 H PHE A 101 119.896 -14.812 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 101 117.781 -12.935 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.912 -12.519 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.549 -11.474 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.217 -12.281 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.722 -14.325 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.921 -13.452 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.425 -15.485 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.026 -15.047 2.320 1.00 0.00 H new ATOM 1645 N ASP A 102 120.491 -13.163 -4.541 1.00 0.00 N ATOM 1646 CA ASP A 102 121.569 -12.638 -5.413 1.00 0.00 C ATOM 1647 C ASP A 102 121.040 -11.562 -6.350 1.00 0.00 C ATOM 1648 O ASP A 102 121.641 -10.490 -6.492 1.00 0.00 O ATOM 1649 CB ASP A 102 122.187 -13.774 -6.218 1.00 0.00 C ATOM 1650 CG ASP A 102 123.318 -13.355 -7.133 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.058 -12.989 -8.301 1.00 0.00 O ATOM 1652 OD2 ASP A 102 124.486 -13.458 -6.719 1.00 0.00 O ATOM 0 H ASP A 102 120.316 -14.161 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 102 122.333 -12.189 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.557 -14.532 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.407 -14.243 -6.817 1.00 0.00 H new ATOM 1657 N ALA A 103 119.903 -11.839 -6.965 1.00 0.00 N ATOM 1658 CA ALA A 103 119.261 -10.886 -7.848 1.00 0.00 C ATOM 1659 C ALA A 103 118.795 -9.676 -7.054 1.00 0.00 C ATOM 1660 O ALA A 103 118.974 -8.535 -7.467 1.00 0.00 O ATOM 1661 CB ALA A 103 118.081 -11.531 -8.561 1.00 0.00 C ATOM 0 H ALA A 103 119.404 -12.723 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 103 119.983 -10.563 -8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.611 -10.801 -9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.431 -12.379 -9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.355 -11.876 -7.825 1.00 0.00 H new ATOM 1667 N ALA A 104 118.261 -9.944 -5.879 1.00 0.00 N ATOM 1668 CA ALA A 104 117.723 -8.920 -5.012 1.00 0.00 C ATOM 1669 C ALA A 104 118.814 -8.001 -4.479 1.00 0.00 C ATOM 1670 O ALA A 104 118.592 -6.802 -4.309 1.00 0.00 O ATOM 1671 CB ALA A 104 116.913 -9.553 -3.906 1.00 0.00 C ATOM 0 H ALA A 104 118.189 -10.887 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 104 117.055 -8.286 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.512 -8.774 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.092 -10.125 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.550 -10.218 -3.323 1.00 0.00 H new ATOM 1677 N GLN A 105 119.988 -8.571 -4.261 1.00 0.00 N ATOM 1678 CA GLN A 105 121.185 -7.839 -3.869 1.00 0.00 C ATOM 1679 C GLN A 105 121.444 -6.762 -4.909 1.00 0.00 C ATOM 1680 O GLN A 105 121.600 -5.599 -4.577 1.00 0.00 O ATOM 1681 CB GLN A 105 122.374 -8.851 -3.760 1.00 0.00 C ATOM 1682 CG GLN A 105 123.775 -8.306 -3.379 1.00 0.00 C ATOM 1683 CD GLN A 105 124.489 -7.539 -4.493 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.274 -7.793 -5.676 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.386 -6.667 -4.129 1.00 0.00 N ATOM 0 H GLN A 105 120.140 -9.575 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 105 121.066 -7.356 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.100 -9.606 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.466 -9.360 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.672 -7.651 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.404 -9.142 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.541 -6.478 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.933 -6.173 -4.834 1.00 0.00 H new ATOM 1694 N SER A 106 121.389 -7.168 -6.162 1.00 0.00 N ATOM 1695 CA SER A 106 121.637 -6.305 -7.287 1.00 0.00 C ATOM 1696 C SER A 106 120.561 -5.205 -7.374 1.00 0.00 C ATOM 1697 O SER A 106 120.869 -4.051 -7.691 1.00 0.00 O ATOM 1698 CB SER A 106 121.676 -7.160 -8.569 1.00 0.00 C ATOM 1699 OG SER A 106 122.007 -6.406 -9.722 1.00 0.00 O ATOM 0 H SER A 106 121.166 -8.128 -6.426 1.00 0.00 H new ATOM 0 HA SER A 106 122.598 -5.804 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 106 122.404 -7.962 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.704 -7.632 -8.715 1.00 0.00 H new ATOM 0 HG SER A 106 122.020 -6.995 -10.505 1.00 0.00 H new ATOM 1705 N ARG A 107 119.322 -5.554 -7.034 1.00 0.00 N ATOM 1706 CA ARG A 107 118.210 -4.607 -7.106 1.00 0.00 C ATOM 1707 C ARG A 107 118.383 -3.503 -6.073 1.00 0.00 C ATOM 1708 O ARG A 107 118.287 -2.323 -6.382 1.00 0.00 O ATOM 1709 CB ARG A 107 116.860 -5.293 -6.882 1.00 0.00 C ATOM 1710 CG ARG A 107 116.608 -6.555 -7.700 1.00 0.00 C ATOM 1711 CD ARG A 107 116.862 -6.382 -9.192 1.00 0.00 C ATOM 1712 NE ARG A 107 115.981 -5.414 -9.840 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.471 -5.574 -11.066 1.00 0.00 C ATOM 1714 NH1 ARG A 107 115.646 -6.724 -11.715 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.773 -4.598 -11.632 1.00 0.00 N ATOM 0 H ARG A 107 119.062 -6.484 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 107 118.219 -4.182 -8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.774 -5.546 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.069 -4.576 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.246 -7.355 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.576 -6.873 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 107 117.896 -6.071 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 107 116.746 -7.348 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 107 115.740 -4.566 -9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 107 116.169 -7.482 -11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 107 115.257 -6.846 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.624 -3.722 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.386 -4.724 -12.567 1.00 0.00 H new ATOM 1729 N VAL A 108 118.680 -3.894 -4.858 1.00 0.00 N ATOM 1730 CA VAL A 108 118.848 -2.947 -3.767 1.00 0.00 C ATOM 1731 C VAL A 108 120.137 -2.149 -3.938 1.00 0.00 C ATOM 1732 O VAL A 108 120.216 -0.965 -3.580 1.00 0.00 O ATOM 1733 CB VAL A 108 118.781 -3.671 -2.415 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.013 -2.717 -1.265 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.420 -4.317 -2.292 1.00 0.00 C ATOM 0 H VAL A 108 118.813 -4.870 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 108 118.028 -2.230 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 108 119.567 -4.425 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 108 118.959 -3.263 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 108 119.998 -2.261 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.250 -1.939 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.350 -4.838 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.647 -3.550 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.280 -5.029 -3.105 1.00 0.00 H new ATOM 1745 N TYR A 109 121.122 -2.798 -4.511 1.00 0.00 N ATOM 1746 CA TYR A 109 122.359 -2.167 -4.908 1.00 0.00 C ATOM 1747 C TYR A 109 122.050 -0.982 -5.842 1.00 0.00 C ATOM 1748 O TYR A 109 122.479 0.140 -5.590 1.00 0.00 O ATOM 1749 CB TYR A 109 123.255 -3.248 -5.556 1.00 0.00 C ATOM 1750 CG TYR A 109 124.331 -2.803 -6.520 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.035 -2.589 -7.863 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.639 -2.641 -6.110 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.004 -2.221 -8.756 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.619 -2.266 -7.003 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.291 -2.057 -8.327 1.00 0.00 C ATOM 1756 OH TYR A 109 127.265 -1.701 -9.235 1.00 0.00 O ATOM 0 H TYR A 109 121.086 -3.796 -4.718 1.00 0.00 H new ATOM 0 HA TYR A 109 122.900 -1.752 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.738 -3.805 -4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.605 -3.947 -6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.019 -2.716 -8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 109 125.898 -2.810 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.753 -2.061 -9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.638 -2.136 -6.669 1.00 0.00 H new ATOM 0 HH TYR A 109 127.761 -0.927 -8.896 1.00 0.00 H new ATOM 1766 N GLN A 110 121.250 -1.214 -6.874 1.00 0.00 N ATOM 1767 CA GLN A 110 120.891 -0.131 -7.769 1.00 0.00 C ATOM 1768 C GLN A 110 119.938 0.879 -7.150 1.00 0.00 C ATOM 1769 O GLN A 110 120.003 2.061 -7.500 1.00 0.00 O ATOM 1770 CB GLN A 110 120.459 -0.584 -9.161 1.00 0.00 C ATOM 1771 CG GLN A 110 119.456 -1.716 -9.232 1.00 0.00 C ATOM 1772 CD GLN A 110 119.077 -2.041 -10.670 1.00 0.00 C ATOM 1773 OE1 GLN A 110 119.966 -1.755 -11.601 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 117.975 -2.516 -10.949 1.00 0.00 N flip ATOM 0 H GLN A 110 120.847 -2.122 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 110 121.827 0.405 -7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.038 0.276 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.350 -0.885 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.874 -2.603 -8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.561 -1.445 -8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.308 -2.727 -10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 110 117.730 -2.698 -11.922 1.00 0.00 H new ATOM 1783 N LEU A 111 119.084 0.425 -6.221 1.00 0.00 N ATOM 1784 CA LEU A 111 118.211 1.333 -5.455 1.00 0.00 C ATOM 1785 C LEU A 111 119.054 2.375 -4.749 1.00 0.00 C ATOM 1786 O LEU A 111 118.798 3.581 -4.846 1.00 0.00 O ATOM 1787 CB LEU A 111 117.393 0.584 -4.384 1.00 0.00 C ATOM 1788 CG LEU A 111 116.303 -0.364 -4.860 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.658 -1.054 -3.663 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.258 0.401 -5.640 1.00 0.00 C ATOM 0 H LEU A 111 118.978 -0.561 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 111 117.525 1.792 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.089 0.013 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 111 116.931 1.327 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 111 116.746 -1.119 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 111 114.878 -1.732 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.414 -1.620 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.220 -0.305 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.481 -0.285 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.815 1.165 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.724 0.875 -6.504 1.00 0.00 H new ATOM 1802 N MET A 112 120.073 1.909 -4.061 1.00 0.00 N ATOM 1803 CA MET A 112 120.953 2.788 -3.325 1.00 0.00 C ATOM 1804 C MET A 112 121.806 3.627 -4.247 1.00 0.00 C ATOM 1805 O MET A 112 122.093 4.769 -3.940 1.00 0.00 O ATOM 1806 CB MET A 112 121.811 2.021 -2.330 1.00 0.00 C ATOM 1807 CG MET A 112 121.024 1.444 -1.167 1.00 0.00 C ATOM 1808 SD MET A 112 122.057 0.531 -0.014 1.00 0.00 S ATOM 1809 CE MET A 112 122.627 -0.783 -1.077 1.00 0.00 C ATOM 0 H MET A 112 120.313 0.920 -3.996 1.00 0.00 H new ATOM 0 HA MET A 112 120.318 3.468 -2.757 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.320 1.210 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.583 2.685 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.522 2.253 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.246 0.785 -1.552 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.570 -1.732 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.000 -0.829 -1.967 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.659 -0.592 -1.370 1.00 0.00 H new ATOM 1819 N GLU A 113 122.182 3.065 -5.379 1.00 0.00 N ATOM 1820 CA GLU A 113 122.964 3.776 -6.381 1.00 0.00 C ATOM 1821 C GLU A 113 122.248 5.067 -6.823 1.00 0.00 C ATOM 1822 O GLU A 113 122.744 6.176 -6.600 1.00 0.00 O ATOM 1823 CB GLU A 113 123.206 2.870 -7.598 1.00 0.00 C ATOM 1824 CG GLU A 113 124.000 3.522 -8.727 1.00 0.00 C ATOM 1825 CD GLU A 113 124.198 2.608 -9.916 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.214 2.295 -10.617 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.350 2.217 -10.195 1.00 0.00 O ATOM 0 H GLU A 113 121.956 2.103 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 113 123.922 4.048 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.735 1.975 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.242 2.545 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 113 123.484 4.425 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 113 124.974 3.831 -8.347 1.00 0.00 H new ATOM 1834 N GLN A 114 121.059 4.901 -7.357 1.00 0.00 N ATOM 1835 CA GLN A 114 120.293 5.991 -7.957 1.00 0.00 C ATOM 1836 C GLN A 114 119.886 7.087 -6.968 1.00 0.00 C ATOM 1837 O GLN A 114 119.776 8.243 -7.349 1.00 0.00 O ATOM 1838 CB GLN A 114 119.065 5.433 -8.693 1.00 0.00 C ATOM 1839 CG GLN A 114 118.143 4.597 -7.817 1.00 0.00 C ATOM 1840 CD GLN A 114 117.008 3.952 -8.585 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.133 2.826 -9.079 1.00 0.00 O ATOM 1842 NE2 GLN A 114 115.911 4.643 -8.709 1.00 0.00 N ATOM 0 H GLN A 114 120.584 3.999 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 114 120.960 6.476 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 114 118.497 6.264 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 114 119.403 4.824 -9.531 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.727 3.819 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 114 117.728 5.229 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 114 115.842 5.570 -8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 114 115.121 4.257 -9.227 1.00 0.00 H new ATOM 1851 N ASP A 115 119.682 6.743 -5.716 1.00 0.00 N ATOM 1852 CA ASP A 115 119.218 7.743 -4.743 1.00 0.00 C ATOM 1853 C ASP A 115 120.309 8.175 -3.786 1.00 0.00 C ATOM 1854 O ASP A 115 120.522 9.364 -3.558 1.00 0.00 O ATOM 1855 CB ASP A 115 118.023 7.213 -3.945 1.00 0.00 C ATOM 1856 CG ASP A 115 117.479 8.223 -2.936 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.839 9.218 -3.356 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.644 8.017 -1.699 1.00 0.00 O ATOM 0 H ASP A 115 119.822 5.805 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 115 118.917 8.616 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.227 6.935 -4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.319 6.306 -3.418 1.00 0.00 H new ATOM 1863 N SER A 116 121.009 7.222 -3.251 1.00 0.00 N ATOM 1864 CA SER A 116 121.965 7.489 -2.215 1.00 0.00 C ATOM 1865 C SER A 116 123.402 7.684 -2.717 1.00 0.00 C ATOM 1866 O SER A 116 124.117 8.482 -2.161 1.00 0.00 O ATOM 1867 CB SER A 116 121.901 6.370 -1.186 1.00 0.00 C ATOM 1868 OG SER A 116 120.572 6.229 -0.710 1.00 0.00 O ATOM 0 H SER A 116 120.936 6.240 -3.517 1.00 0.00 H new ATOM 0 HA SER A 116 121.691 8.444 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.238 5.434 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.573 6.588 -0.356 1.00 0.00 H new ATOM 0 HG SER A 116 120.536 5.506 -0.049 1.00 0.00 H new ATOM 1874 N TYR A 117 123.806 6.995 -3.779 1.00 0.00 N ATOM 1875 CA TYR A 117 125.209 7.025 -4.227 1.00 0.00 C ATOM 1876 C TYR A 117 125.617 8.388 -4.771 1.00 0.00 C ATOM 1877 O TYR A 117 126.739 8.841 -4.572 1.00 0.00 O ATOM 1878 CB TYR A 117 125.454 5.907 -5.236 1.00 0.00 C ATOM 1879 CG TYR A 117 126.818 5.878 -5.879 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.981 5.809 -5.118 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.938 5.913 -7.255 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.220 5.774 -5.722 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.164 5.877 -7.862 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.302 5.805 -7.095 1.00 0.00 C ATOM 1885 OH TYR A 117 130.526 5.778 -7.709 1.00 0.00 O ATOM 0 H TYR A 117 123.193 6.411 -4.347 1.00 0.00 H new ATOM 0 HA TYR A 117 125.846 6.853 -3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.290 4.952 -4.736 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.705 5.986 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.912 5.783 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.047 5.970 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.117 5.723 -5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.237 5.905 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 117 131.161 5.281 -7.152 1.00 0.00 H new ATOM 1895 N THR A 118 124.701 9.032 -5.407 1.00 0.00 N ATOM 1896 CA THR A 118 124.908 10.351 -5.955 1.00 0.00 C ATOM 1897 C THR A 118 125.149 11.373 -4.808 1.00 0.00 C ATOM 1898 O THR A 118 126.198 12.101 -4.754 1.00 0.00 O ATOM 1899 CB THR A 118 123.653 10.705 -6.745 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.516 10.365 -5.928 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.588 9.897 -8.038 1.00 0.00 C ATOM 0 H THR A 118 123.765 8.660 -5.570 1.00 0.00 H new ATOM 0 HA THR A 118 125.785 10.377 -6.602 1.00 0.00 H new ATOM 0 HB THR A 118 123.662 11.765 -6.998 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.691 10.583 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.686 10.163 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.464 10.117 -8.649 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.568 8.833 -7.802 1.00 0.00 H new ATOM 1909 N ARG A 119 124.213 11.376 -3.875 1.00 0.00 N ATOM 1910 CA ARG A 119 124.284 12.197 -2.692 1.00 0.00 C ATOM 1911 C ARG A 119 125.518 11.828 -1.893 1.00 0.00 C ATOM 1912 O ARG A 119 126.185 12.691 -1.347 1.00 0.00 O ATOM 1913 CB ARG A 119 123.041 12.013 -1.837 1.00 0.00 C ATOM 1914 CG ARG A 119 121.742 12.427 -2.498 1.00 0.00 C ATOM 1915 CD ARG A 119 120.569 12.189 -1.564 1.00 0.00 C ATOM 1916 NE ARG A 119 120.727 12.922 -0.297 1.00 0.00 N ATOM 1917 CZ ARG A 119 120.402 12.439 0.912 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.970 11.192 1.039 1.00 0.00 N ATOM 1919 NH2 ARG A 119 120.550 13.192 1.999 1.00 0.00 N ATOM 0 H ARG A 119 123.374 10.799 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 119 124.343 13.243 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.967 10.964 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 119 123.162 12.586 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.787 13.481 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.600 11.863 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.646 12.500 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.477 11.122 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 119 121.112 13.866 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.884 10.596 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.724 10.829 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 119 120.912 14.142 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 119 120.301 12.819 2.915 1.00 0.00 H new ATOM 1933 N PHE A 120 125.821 10.538 -1.858 1.00 0.00 N ATOM 1934 CA PHE A 120 127.002 10.032 -1.203 1.00 0.00 C ATOM 1935 C PHE A 120 128.250 10.614 -1.819 1.00 0.00 C ATOM 1936 O PHE A 120 129.123 11.043 -1.110 1.00 0.00 O ATOM 1937 CB PHE A 120 127.062 8.495 -1.218 1.00 0.00 C ATOM 1938 CG PHE A 120 128.357 7.938 -0.695 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.611 7.879 0.663 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.334 7.501 -1.575 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.813 7.389 1.129 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.530 7.019 -1.113 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.772 6.961 0.239 1.00 0.00 C ATOM 0 H PHE A 120 125.245 9.814 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 120 126.945 10.346 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.239 8.102 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.911 8.144 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.863 8.219 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.150 7.541 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.002 7.341 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.283 6.684 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.715 6.580 0.603 1.00 0.00 H new ATOM 1953 N LEU A 121 128.314 10.674 -3.130 1.00 0.00 N ATOM 1954 CA LEU A 121 129.485 11.230 -3.792 1.00 0.00 C ATOM 1955 C LEU A 121 129.726 12.685 -3.463 1.00 0.00 C ATOM 1956 O LEU A 121 130.831 13.194 -3.658 1.00 0.00 O ATOM 1957 CB LEU A 121 129.503 10.974 -5.287 1.00 0.00 C ATOM 1958 CG LEU A 121 129.746 9.526 -5.684 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.823 9.406 -7.196 1.00 0.00 C ATOM 1960 CD2 LEU A 121 131.028 8.999 -5.023 1.00 0.00 C ATOM 0 H LEU A 121 127.579 10.349 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 121 130.329 10.681 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.551 11.296 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 121 130.277 11.594 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 121 128.912 8.917 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.997 8.365 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.885 9.745 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.642 10.021 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 121 131.189 7.962 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.877 9.602 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.929 9.058 -3.939 1.00 0.00 H new ATOM 1972 N LYS A 122 128.710 13.374 -2.997 1.00 0.00 N ATOM 1973 CA LYS A 122 128.974 14.697 -2.466 1.00 0.00 C ATOM 1974 C LYS A 122 128.517 14.817 -0.980 1.00 0.00 C ATOM 1975 O LYS A 122 128.237 15.901 -0.466 1.00 0.00 O ATOM 1976 CB LYS A 122 128.430 15.793 -3.398 1.00 0.00 C ATOM 1977 CG LYS A 122 128.948 17.193 -3.069 1.00 0.00 C ATOM 1978 CD LYS A 122 128.820 18.140 -4.247 1.00 0.00 C ATOM 1979 CE LYS A 122 129.720 17.702 -5.397 1.00 0.00 C ATOM 1980 NZ LYS A 122 129.636 18.622 -6.548 1.00 0.00 N ATOM 0 H LYS A 122 127.739 13.064 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 122 130.052 14.857 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 122 128.697 15.549 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 122 127.341 15.796 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 122 128.394 17.594 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 122 129.993 17.131 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 122 127.783 18.171 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.085 19.151 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 122 130.752 17.650 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.439 16.698 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.263 18.287 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 128.657 18.653 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 129.929 19.575 -6.253 1.00 0.00 H new ATOM 1994 N SER A 123 128.451 13.679 -0.299 1.00 0.00 N ATOM 1995 CA SER A 123 128.158 13.644 1.137 1.00 0.00 C ATOM 1996 C SER A 123 129.389 14.071 1.914 1.00 0.00 C ATOM 1997 O SER A 123 130.514 13.967 1.402 1.00 0.00 O ATOM 1998 CB SER A 123 127.761 12.232 1.587 1.00 0.00 C ATOM 1999 OG SER A 123 128.858 11.324 1.462 1.00 0.00 O ATOM 0 H SER A 123 128.597 12.760 -0.718 1.00 0.00 H new ATOM 0 HA SER A 123 127.327 14.323 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.423 12.259 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.922 11.878 0.987 1.00 0.00 H new ATOM 0 HG SER A 123 128.895 10.980 0.545 1.00 0.00 H new ATOM 2005 N ASP A 124 129.189 14.489 3.151 1.00 0.00 N ATOM 2006 CA ASP A 124 130.279 14.946 4.006 1.00 0.00 C ATOM 2007 C ASP A 124 131.329 13.861 4.198 1.00 0.00 C ATOM 2008 O ASP A 124 132.526 14.150 4.151 1.00 0.00 O ATOM 2009 CB ASP A 124 129.764 15.425 5.366 1.00 0.00 C ATOM 2010 CG ASP A 124 130.878 15.966 6.239 1.00 0.00 C ATOM 2011 OD1 ASP A 124 131.277 17.135 6.045 1.00 0.00 O ATOM 2012 OD2 ASP A 124 131.383 15.245 7.127 1.00 0.00 O ATOM 0 H ASP A 124 128.271 14.523 3.594 1.00 0.00 H new ATOM 0 HA ASP A 124 130.745 15.791 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.013 16.200 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.271 14.598 5.878 1.00 0.00 H new ATOM 2017 N ILE A 125 130.889 12.611 4.374 1.00 0.00 N ATOM 2018 CA ILE A 125 131.823 11.504 4.539 1.00 0.00 C ATOM 2019 C ILE A 125 132.687 11.305 3.286 1.00 0.00 C ATOM 2020 O ILE A 125 133.906 11.204 3.388 1.00 0.00 O ATOM 2021 CB ILE A 125 131.146 10.147 4.997 1.00 0.00 C ATOM 2022 CG1 ILE A 125 132.186 9.017 5.143 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.035 9.705 4.053 1.00 0.00 C ATOM 2024 CD1 ILE A 125 133.279 9.292 6.158 1.00 0.00 C ATOM 0 H ILE A 125 129.904 12.347 4.405 1.00 0.00 H new ATOM 0 HA ILE A 125 132.473 11.796 5.363 1.00 0.00 H new ATOM 0 HB ILE A 125 130.700 10.346 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 125 131.669 8.100 5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 125 132.647 8.838 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.604 8.770 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 125 129.261 10.472 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.444 9.556 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 125 133.964 8.445 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 125 133.826 10.189 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 125 132.833 9.440 7.142 1.00 0.00 H new ATOM 2036 N TYR A 126 132.080 11.325 2.102 1.00 0.00 N ATOM 2037 CA TYR A 126 132.861 11.123 0.888 1.00 0.00 C ATOM 2038 C TYR A 126 133.763 12.332 0.635 1.00 0.00 C ATOM 2039 O TYR A 126 134.918 12.196 0.196 1.00 0.00 O ATOM 2040 CB TYR A 126 131.973 10.820 -0.322 1.00 0.00 C ATOM 2041 CG TYR A 126 132.744 10.462 -1.577 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.191 9.170 -1.792 1.00 0.00 C ATOM 2043 CD2 TYR A 126 133.045 11.415 -2.523 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.912 8.836 -2.908 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.758 11.105 -3.644 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.195 9.823 -3.840 1.00 0.00 C ATOM 2047 OH TYR A 126 134.886 9.522 -4.985 1.00 0.00 O ATOM 0 H TYR A 126 131.081 11.474 1.959 1.00 0.00 H new ATOM 0 HA TYR A 126 133.492 10.246 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.304 9.997 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 126 131.347 11.689 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 126 132.966 8.406 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 126 132.709 12.431 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.254 7.823 -3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.977 11.869 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 126 135.188 8.590 -4.950 1.00 0.00 H new ATOM 2057 N LEU A 127 133.259 13.501 0.955 1.00 0.00 N ATOM 2058 CA LEU A 127 134.023 14.716 0.823 1.00 0.00 C ATOM 2059 C LEU A 127 135.207 14.715 1.789 1.00 0.00 C ATOM 2060 O LEU A 127 136.259 15.276 1.487 1.00 0.00 O ATOM 2061 CB LEU A 127 133.134 15.949 1.018 1.00 0.00 C ATOM 2062 CG LEU A 127 132.012 16.126 -0.013 1.00 0.00 C ATOM 2063 CD1 LEU A 127 131.221 17.390 0.258 1.00 0.00 C ATOM 2064 CD2 LEU A 127 132.563 16.120 -1.432 1.00 0.00 C ATOM 0 H LEU A 127 132.313 13.635 1.312 1.00 0.00 H new ATOM 0 HA LEU A 127 134.422 14.763 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.686 15.899 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.766 16.837 0.997 1.00 0.00 H new ATOM 0 HG LEU A 127 131.334 15.278 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 127 130.432 17.492 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 127 130.777 17.335 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.885 18.253 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.745 16.247 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.275 16.937 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 127 133.065 15.171 -1.624 1.00 0.00 H new ATOM 2076 N ASP A 128 135.042 14.044 2.926 1.00 0.00 N ATOM 2077 CA ASP A 128 136.117 13.899 3.921 1.00 0.00 C ATOM 2078 C ASP A 128 137.220 13.024 3.384 1.00 0.00 C ATOM 2079 O ASP A 128 138.398 13.297 3.612 1.00 0.00 O ATOM 2080 CB ASP A 128 135.609 13.293 5.238 1.00 0.00 C ATOM 2081 CG ASP A 128 136.745 13.041 6.230 1.00 0.00 C ATOM 2082 OD1 ASP A 128 137.074 13.950 7.018 1.00 0.00 O ATOM 2083 OD2 ASP A 128 137.344 11.941 6.223 1.00 0.00 O ATOM 0 H ASP A 128 134.169 13.586 3.188 1.00 0.00 H new ATOM 0 HA ASP A 128 136.493 14.902 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.878 13.965 5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 128 135.095 12.355 5.030 1.00 0.00 H new ATOM 2088 N LEU A 129 136.829 11.976 2.654 1.00 0.00 N ATOM 2089 CA LEU A 129 137.786 11.029 2.065 1.00 0.00 C ATOM 2090 C LEU A 129 138.700 11.795 1.110 1.00 0.00 C ATOM 2091 O LEU A 129 139.898 11.558 1.038 1.00 0.00 O ATOM 2092 CB LEU A 129 137.056 9.919 1.279 1.00 0.00 C ATOM 2093 CG LEU A 129 135.777 9.332 1.909 1.00 0.00 C ATOM 2094 CD1 LEU A 129 135.107 8.411 0.943 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.044 8.598 3.221 1.00 0.00 C ATOM 0 H LEU A 129 135.852 11.759 2.455 1.00 0.00 H new ATOM 0 HA LEU A 129 138.360 10.563 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.797 10.315 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.759 9.101 1.118 1.00 0.00 H new ATOM 0 HG LEU A 129 135.124 10.174 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 129 134.205 8.001 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.841 8.961 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.785 7.597 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.107 8.207 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.734 7.774 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.482 9.289 3.942 1.00 0.00 H new ATOM 2107 N MET A 130 138.111 12.740 0.400 1.00 0.00 N ATOM 2108 CA MET A 130 138.855 13.597 -0.514 1.00 0.00 C ATOM 2109 C MET A 130 139.666 14.631 0.239 1.00 0.00 C ATOM 2110 O MET A 130 140.827 14.885 -0.088 1.00 0.00 O ATOM 2111 CB MET A 130 137.936 14.286 -1.490 1.00 0.00 C ATOM 2112 CG MET A 130 137.271 13.343 -2.474 1.00 0.00 C ATOM 2113 SD MET A 130 138.490 12.353 -3.355 1.00 0.00 S ATOM 2114 CE MET A 130 137.424 11.345 -4.351 1.00 0.00 C ATOM 0 H MET A 130 137.111 12.937 0.438 1.00 0.00 H new ATOM 0 HA MET A 130 139.537 12.954 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 130 137.165 14.819 -0.934 1.00 0.00 H new ATOM 0 HB3 MET A 130 138.504 15.033 -2.044 1.00 0.00 H new ATOM 0 HG2 MET A 130 136.581 12.687 -1.943 1.00 0.00 H new ATOM 0 HG3 MET A 130 136.680 13.916 -3.188 1.00 0.00 H new ATOM 0 HE1 MET A 130 137.980 10.485 -4.724 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.583 11.000 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.052 11.930 -5.192 1.00 0.00 H new ATOM 2124 N GLU A 131 139.074 15.183 1.288 1.00 0.00 N ATOM 2125 CA GLU A 131 139.717 16.187 2.149 1.00 0.00 C ATOM 2126 C GLU A 131 140.831 15.524 2.999 1.00 0.00 C ATOM 2127 O GLU A 131 141.521 16.160 3.786 1.00 0.00 O ATOM 2128 CB GLU A 131 138.634 16.885 3.022 1.00 0.00 C ATOM 2129 CG GLU A 131 139.123 17.980 3.974 1.00 0.00 C ATOM 2130 CD GLU A 131 139.911 19.077 3.291 1.00 0.00 C ATOM 2131 OE1 GLU A 131 139.307 20.044 2.775 1.00 0.00 O ATOM 2132 OE2 GLU A 131 141.151 19.007 3.280 1.00 0.00 O ATOM 0 H GLU A 131 138.124 14.950 1.575 1.00 0.00 H new ATOM 0 HA GLU A 131 140.197 16.954 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 131 137.888 17.320 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 131 138.128 16.121 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 131 138.263 18.422 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 131 139.744 17.526 4.746 1.00 0.00 H new ATOM 2139 N GLY A 132 141.013 14.246 2.783 1.00 0.00 N ATOM 2140 CA GLY A 132 142.050 13.511 3.451 1.00 0.00 C ATOM 2141 C GLY A 132 143.417 13.822 2.876 1.00 0.00 C ATOM 2142 O GLY A 132 144.443 13.445 3.467 1.00 0.00 O ATOM 0 H GLY A 132 140.448 13.690 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 132 142.039 13.751 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 132 141.853 12.443 3.364 1.00 0.00 H new ATOM 2146 N ARG A 133 143.423 14.505 1.709 1.00 0.00 N ATOM 2147 CA ARG A 133 144.639 14.949 0.996 1.00 0.00 C ATOM 2148 C ARG A 133 145.431 13.772 0.424 1.00 0.00 C ATOM 2149 O ARG A 133 145.379 12.656 0.952 1.00 0.00 O ATOM 2150 CB ARG A 133 145.560 15.789 1.891 1.00 0.00 C ATOM 2151 CG ARG A 133 144.975 17.086 2.396 1.00 0.00 C ATOM 2152 CD ARG A 133 145.927 17.733 3.379 1.00 0.00 C ATOM 2153 NE ARG A 133 146.151 16.864 4.539 1.00 0.00 N ATOM 2154 CZ ARG A 133 147.321 16.656 5.148 1.00 0.00 C ATOM 2155 NH1 ARG A 133 148.430 17.249 4.708 1.00 0.00 N ATOM 2156 NH2 ARG A 133 147.379 15.818 6.179 1.00 0.00 N ATOM 0 H ARG A 133 142.563 14.768 1.227 1.00 0.00 H new ATOM 0 HA ARG A 133 144.288 15.571 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 133 145.852 15.185 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 133 146.470 16.014 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 133 144.788 17.760 1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 133 144.014 16.899 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 133 146.877 17.942 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 133 145.521 18.689 3.709 1.00 0.00 H new ATOM 0 HE ARG A 133 145.339 16.374 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 133 148.390 17.869 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 133 149.319 17.083 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 133 146.535 15.342 6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 133 148.267 15.652 6.652 1.00 0.00 H new ATOM 2170 N PRO A 134 146.141 13.985 -0.687 1.00 0.00 N ATOM 2171 CA PRO A 134 147.014 12.970 -1.251 1.00 0.00 C ATOM 2172 C PRO A 134 148.168 12.660 -0.292 1.00 0.00 C ATOM 2173 O PRO A 134 149.047 13.501 -0.046 1.00 0.00 O ATOM 2174 CB PRO A 134 147.529 13.596 -2.552 1.00 0.00 C ATOM 2175 CG PRO A 134 147.304 15.062 -2.404 1.00 0.00 C ATOM 2176 CD PRO A 134 146.123 15.218 -1.501 1.00 0.00 C ATOM 0 HA PRO A 134 146.503 12.023 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 134 148.585 13.374 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 134 146.994 13.202 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 134 148.183 15.549 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 134 147.117 15.526 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 134 146.209 16.110 -0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 134 145.196 15.311 -2.066 1.00 0.00 H new TER 2184 PRO A 134