USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 874 hydrogens (10 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 NoAdj-H: A 38 TPO H2 : A 38 TPO N : A 37 LEU C :(H bumps) USER MOD NoAdj-H: A 38 TPO H : A 38 TPO N : A 37 LEU C :(H bumps) USER MOD NoAdj-H: A 41 SEP H2 : A 41 SEP N : A 40 SER C :(H bumps) USER MOD Set 1.1: A 106 CYS SG : rot 76:sc= -0.961 USER MOD Set 1.2: A 133 GLN :FLIP amide:sc= -0.806 F(o=-2.4,f=-1.8) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0397 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 THR OG1 : rot 162:sc= 0.235 USER MOD Set 3.2: A 60 GLN : amide:sc= -2.2 K(o=-2,f=-3.7) USER MOD Single : A 28 HIS : no HD1:sc= -1.72! X(o=-1.7!,f=-1.6) USER MOD Single : A 29 MET CE :methyl -163:sc= -0.0837 (180deg=-0.462) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -176:sc= 0.173 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0341 (180deg=-0.245) USER MOD Single : A 44 MET CE :methyl -117:sc= -1.43 (180deg=-3.24!) USER MOD Single : A 45 MET CE :methyl -142:sc= -2.34! (180deg=-2.77) USER MOD Single : A 46 SER OG : rot -98:sc= -1.04 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -10:sc= -0.774 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0221 (180deg=-0.197) USER MOD Single : A 61 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.66) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -0.0155 (180deg=-0.146) USER MOD Single : A 71 GLN :FLIP amide:sc=-0.00826 F(o=-1.8,f=-0.0083) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-1.1) USER MOD Single : A 82 MET CE :methyl -179:sc= -1.63! (180deg=-1.63!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0688 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.17) USER MOD Single : A 96 GLN : amide:sc= -0.0395 K(o=-0.04,f=-0.59) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -29:sc= 0.194 USER MOD Single : A 100 MET CE :methyl -128:sc= -0.201 (180deg=-0.8) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -0.0753 F(o=-0.63,f=-0.075) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 28 -27.394 31.420 16.138 1.00 0.00 N ATOM 2 CA HIS A 28 -26.593 31.969 17.265 1.00 0.00 C ATOM 3 C HIS A 28 -26.653 33.499 17.293 1.00 0.00 C ATOM 4 O HIS A 28 -27.172 34.126 16.367 1.00 0.00 O ATOM 5 CB HIS A 28 -25.136 31.500 17.160 1.00 0.00 C ATOM 6 CG HIS A 28 -24.404 32.057 15.976 1.00 0.00 C ATOM 7 ND1 HIS A 28 -23.519 33.110 16.067 1.00 0.00 N ATOM 8 CD2 HIS A 28 -24.428 31.701 14.669 1.00 0.00 C ATOM 9 CE1 HIS A 28 -23.031 33.379 14.869 1.00 0.00 C ATOM 10 NE2 HIS A 28 -23.566 32.538 14.005 1.00 0.00 N ATOM 0 HA HIS A 28 -27.021 31.596 18.195 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -24.606 31.784 18.069 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -25.118 30.411 17.107 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -25.015 30.907 14.231 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.316 34.155 14.637 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -23.371 32.514 13.004 1.00 0.00 H new ATOM 19 N MET A 29 -26.115 34.094 18.359 1.00 0.00 N ATOM 20 CA MET A 29 -26.110 35.549 18.507 1.00 0.00 C ATOM 21 C MET A 29 -24.815 36.154 17.959 1.00 0.00 C ATOM 22 O MET A 29 -24.843 36.928 17.001 1.00 0.00 O ATOM 23 CB MET A 29 -26.290 35.938 19.979 1.00 0.00 C ATOM 24 CG MET A 29 -26.391 37.438 20.210 1.00 0.00 C ATOM 25 SD MET A 29 -26.522 37.867 21.957 1.00 0.00 S ATOM 26 CE MET A 29 -28.091 37.113 22.378 1.00 0.00 C ATOM 0 H MET A 29 -25.678 33.591 19.131 1.00 0.00 H new ATOM 0 HA MET A 29 -26.945 35.947 17.930 1.00 0.00 H new ATOM 0 HB2 MET A 29 -27.190 35.459 20.364 1.00 0.00 H new ATOM 0 HB3 MET A 29 -25.450 35.547 20.554 1.00 0.00 H new ATOM 0 HG2 MET A 29 -25.514 37.927 19.785 1.00 0.00 H new ATOM 0 HG3 MET A 29 -27.260 37.825 19.679 1.00 0.00 H new ATOM 0 HE1 MET A 29 -28.457 37.533 23.315 1.00 0.00 H new ATOM 0 HE2 MET A 29 -28.813 37.310 21.586 1.00 0.00 H new ATOM 0 HE3 MET A 29 -27.959 36.037 22.490 1.00 0.00 H new ATOM 36 N GLU A 30 -23.686 35.794 18.572 1.00 0.00 N ATOM 37 CA GLU A 30 -22.382 36.305 18.154 1.00 0.00 C ATOM 38 C GLU A 30 -21.439 35.166 17.768 1.00 0.00 C ATOM 39 O GLU A 30 -20.935 35.123 16.644 1.00 0.00 O ATOM 40 CB GLU A 30 -21.759 37.144 19.274 1.00 0.00 C ATOM 41 CG GLU A 30 -22.585 38.362 19.656 1.00 0.00 C ATOM 42 CD GLU A 30 -22.010 39.108 20.846 1.00 0.00 C ATOM 43 OE1 GLU A 30 -22.385 38.776 21.990 1.00 0.00 O ATOM 44 OE2 GLU A 30 -21.185 40.022 20.633 1.00 0.00 O ATOM 0 H GLU A 30 -23.650 35.149 19.361 1.00 0.00 H new ATOM 0 HA GLU A 30 -22.533 36.933 17.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -21.625 36.516 20.155 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.767 37.472 18.962 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -22.645 39.038 18.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -23.603 38.048 19.886 1.00 0.00 H new ATOM 51 N CYS A 31 -21.209 34.243 18.705 1.00 0.00 N ATOM 52 CA CYS A 31 -20.326 33.104 18.465 1.00 0.00 C ATOM 53 C CYS A 31 -21.129 31.818 18.281 1.00 0.00 C ATOM 54 O CYS A 31 -21.984 31.485 19.105 1.00 0.00 O ATOM 55 CB CYS A 31 -19.341 32.943 19.627 1.00 0.00 C ATOM 56 SG CYS A 31 -18.165 31.585 19.417 1.00 0.00 S ATOM 0 H CYS A 31 -21.623 34.264 19.637 1.00 0.00 H new ATOM 0 HA CYS A 31 -19.769 33.296 17.548 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -18.787 33.873 19.751 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -19.904 32.783 20.547 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.375 31.532 20.448 1.00 0.00 H new ATOM 62 N ALA A 32 -20.847 31.103 17.192 1.00 0.00 N ATOM 63 CA ALA A 32 -21.533 29.848 16.892 1.00 0.00 C ATOM 64 C ALA A 32 -20.773 28.654 17.465 1.00 0.00 C ATOM 65 O ALA A 32 -21.357 27.803 18.138 1.00 0.00 O ATOM 66 CB ALA A 32 -21.714 29.691 15.389 1.00 0.00 C ATOM 0 H ALA A 32 -20.146 31.373 16.502 1.00 0.00 H new ATOM 0 HA ALA A 32 -22.515 29.878 17.363 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -22.226 28.752 15.180 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -22.307 30.521 15.005 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -20.738 29.688 14.903 1.00 0.00 H new ATOM 72 N ASP A 33 -19.468 28.597 17.189 1.00 0.00 N ATOM 73 CA ASP A 33 -18.624 27.509 17.676 1.00 0.00 C ATOM 74 C ASP A 33 -17.278 28.042 18.167 1.00 0.00 C ATOM 75 O ASP A 33 -16.687 28.929 17.549 1.00 0.00 O ATOM 76 CB ASP A 33 -18.404 26.472 16.570 1.00 0.00 C ATOM 77 CG ASP A 33 -17.533 25.313 17.022 1.00 0.00 C ATOM 78 OD1 ASP A 33 -18.072 24.366 17.633 1.00 0.00 O ATOM 79 OD2 ASP A 33 -16.310 25.354 16.767 1.00 0.00 O ATOM 0 H ASP A 33 -18.975 29.293 16.630 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.133 27.033 18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.369 26.089 16.239 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.941 26.956 15.710 1.00 0.00 H new ATOM 84 N VAL A 34 -16.798 27.487 19.280 1.00 0.00 N ATOM 85 CA VAL A 34 -15.523 27.903 19.858 1.00 0.00 C ATOM 86 C VAL A 34 -14.355 27.148 19.220 1.00 0.00 C ATOM 87 O VAL A 34 -14.412 25.927 19.056 1.00 0.00 O ATOM 88 CB VAL A 34 -15.490 27.695 21.390 1.00 0.00 C ATOM 89 CG1 VAL A 34 -16.529 28.573 22.070 1.00 0.00 C ATOM 90 CG2 VAL A 34 -15.704 26.229 21.752 1.00 0.00 C ATOM 0 H VAL A 34 -17.274 26.748 19.798 1.00 0.00 H new ATOM 0 HA VAL A 34 -15.420 28.968 19.650 1.00 0.00 H new ATOM 0 HB VAL A 34 -14.503 27.986 21.748 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.491 28.413 23.148 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.320 29.620 21.851 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.521 28.316 21.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.676 26.114 22.836 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.673 25.899 21.377 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.916 25.624 21.302 1.00 0.00 H new ATOM 100 N PRO A 35 -13.280 27.872 18.844 1.00 0.00 N ATOM 101 CA PRO A 35 -12.092 27.271 18.223 1.00 0.00 C ATOM 102 C PRO A 35 -11.378 26.299 19.158 1.00 0.00 C ATOM 103 O PRO A 35 -11.239 26.563 20.354 1.00 0.00 O ATOM 104 CB PRO A 35 -11.188 28.472 17.914 1.00 0.00 C ATOM 105 CG PRO A 35 -12.081 29.664 17.977 1.00 0.00 C ATOM 106 CD PRO A 35 -13.141 29.330 18.986 1.00 0.00 C ATOM 0 HA PRO A 35 -12.354 26.685 17.342 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.377 28.550 18.638 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.729 28.376 16.930 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.525 30.553 18.274 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.522 29.874 17.002 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.841 29.611 19.996 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -14.077 29.848 18.776 1.00 0.00 H new ATOM 114 N LEU A 36 -10.925 25.175 18.603 1.00 0.00 N ATOM 115 CA LEU A 36 -10.227 24.158 19.384 1.00 0.00 C ATOM 116 C LEU A 36 -9.043 23.583 18.609 1.00 0.00 C ATOM 117 O LEU A 36 -9.113 23.401 17.392 1.00 0.00 O ATOM 118 CB LEU A 36 -11.192 23.033 19.766 1.00 0.00 C ATOM 119 CG LEU A 36 -12.298 23.429 20.749 1.00 0.00 C ATOM 120 CD1 LEU A 36 -13.306 22.300 20.903 1.00 0.00 C ATOM 121 CD2 LEU A 36 -11.702 23.802 22.100 1.00 0.00 C ATOM 0 H LEU A 36 -11.030 24.947 17.614 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.846 24.632 20.289 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.656 22.649 18.857 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.617 22.215 20.200 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.818 24.300 20.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.084 22.600 21.605 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.756 22.080 19.935 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.801 21.410 21.279 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.502 24.081 22.786 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.157 22.949 22.505 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.020 24.643 21.977 1.00 0.00 H new ATOM 133 N LEU A 37 -7.955 23.301 19.327 1.00 0.00 N ATOM 134 CA LEU A 37 -6.753 22.741 18.717 1.00 0.00 C ATOM 135 C LEU A 37 -6.792 21.215 18.756 1.00 0.00 C ATOM 136 O LEU A 37 -6.959 20.618 19.822 1.00 0.00 O ATOM 137 CB LEU A 37 -5.501 23.254 19.435 1.00 0.00 C ATOM 138 CG LEU A 37 -4.170 22.733 18.883 1.00 0.00 C ATOM 139 CD1 LEU A 37 -3.971 23.184 17.443 1.00 0.00 C ATOM 140 CD2 LEU A 37 -3.014 23.202 19.755 1.00 0.00 C ATOM 0 H LEU A 37 -7.884 23.452 20.333 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.717 23.061 17.676 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.495 24.343 19.386 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.570 22.983 20.489 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.195 21.643 18.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.020 22.803 17.071 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.783 22.799 16.826 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.968 24.273 17.400 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.076 22.824 19.350 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.989 24.292 19.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.148 22.827 20.770 1.00 0.00 H new HETATM 152 N TPO A 38 -6.640 20.590 17.589 1.00 0.00 N HETATM 153 CA TPO A 38 -6.666 19.134 17.491 1.00 0.00 C HETATM 154 CB TPO A 38 -8.023 18.658 16.960 1.00 0.00 C HETATM 155 CG2 TPO A 38 -8.272 17.182 17.190 1.00 0.00 C HETATM 156 OG1 TPO A 38 -9.083 19.390 17.614 1.00 0.00 O HETATM 157 P TPO A 38 -9.912 20.189 16.465 1.00 0.00 P HETATM 158 O1P TPO A 38 -8.973 21.081 15.674 1.00 0.00 O HETATM 159 O2P TPO A 38 -10.990 21.034 17.129 1.00 0.00 O HETATM 160 O3P TPO A 38 -10.553 19.200 15.509 1.00 0.00 O HETATM 161 C TPO A 38 -5.543 18.624 16.587 1.00 0.00 C HETATM 162 O TPO A 38 -5.633 18.720 15.361 1.00 0.00 O HETATM 0 HG23 TPO A 38 -7.500 16.600 16.686 1.00 0.00 H new HETATM 0 HG22 TPO A 38 -8.246 16.971 18.259 1.00 0.00 H new HETATM 0 HG21 TPO A 38 -9.249 16.911 16.791 1.00 0.00 H new HETATM 0 HB TPO A 38 -8.008 18.836 15.885 1.00 0.00 H new HETATM 0 HA TPO A 38 -6.513 18.728 18.491 1.00 0.00 H new ATOM 169 N PRO A 39 -4.467 18.080 17.185 1.00 0.00 N ATOM 170 CA PRO A 39 -3.326 17.540 16.432 1.00 0.00 C ATOM 171 C PRO A 39 -3.681 16.253 15.688 1.00 0.00 C ATOM 172 O PRO A 39 -4.725 15.647 15.941 1.00 0.00 O ATOM 173 CB PRO A 39 -2.281 17.264 17.517 1.00 0.00 C ATOM 174 CG PRO A 39 -3.074 17.055 18.761 1.00 0.00 C ATOM 175 CD PRO A 39 -4.272 17.954 18.643 1.00 0.00 C ATOM 0 HA PRO A 39 -2.983 18.229 15.660 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.683 16.385 17.276 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.590 18.100 17.623 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.377 16.013 18.861 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.486 17.302 19.645 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.147 17.522 19.129 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.094 18.923 19.109 1.00 0.00 H new ATOM 183 N SER A 40 -2.804 15.840 14.773 1.00 0.00 N ATOM 184 CA SER A 40 -3.027 14.626 13.988 1.00 0.00 C ATOM 185 C SER A 40 -2.979 13.381 14.872 1.00 0.00 C ATOM 186 O SER A 40 -2.037 13.189 15.643 1.00 0.00 O ATOM 187 CB SER A 40 -1.993 14.507 12.865 1.00 0.00 C ATOM 188 OG SER A 40 -0.673 14.467 13.380 1.00 0.00 O ATOM 0 H SER A 40 -1.934 16.327 14.557 1.00 0.00 H new ATOM 0 HA SER A 40 -4.021 14.699 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.186 13.605 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.094 15.352 12.184 1.00 0.00 H new ATOM 0 HG SER A 40 -0.033 14.452 12.638 1.00 0.00 H new HETATM 194 N SEP A 41 -4.005 12.543 14.749 1.00 0.00 N HETATM 195 CA SEP A 41 -4.093 11.310 15.527 1.00 0.00 C HETATM 196 CB SEP A 41 -5.464 11.192 16.197 1.00 0.00 C HETATM 197 OG SEP A 41 -5.694 12.337 17.046 1.00 0.00 O HETATM 198 C SEP A 41 -3.824 10.084 14.652 1.00 0.00 C HETATM 199 O SEP A 41 -3.334 9.063 15.138 1.00 0.00 O HETATM 200 P SEP A 41 -7.116 12.994 16.613 1.00 0.00 P HETATM 201 O1P SEP A 41 -7.427 14.176 17.510 1.00 0.00 O HETATM 202 O2P SEP A 41 -8.215 11.946 16.743 1.00 0.00 O HETATM 203 O3P SEP A 41 -7.042 13.489 15.180 1.00 0.00 O HETATM 0 HB3 SEP A 41 -6.245 11.127 15.439 1.00 0.00 H new HETATM 0 HB2 SEP A 41 -5.514 10.276 16.785 1.00 0.00 H new HETATM 0 HA SEP A 41 -3.327 11.350 16.301 1.00 0.00 H new HETATM 0 H SEP A 41 -4.800 13.181 14.713 1.00 0.00 H new ATOM 208 N LYS A 42 -4.142 10.192 13.359 1.00 0.00 N ATOM 209 CA LYS A 42 -3.941 9.091 12.419 1.00 0.00 C ATOM 210 C LYS A 42 -2.484 9.003 11.956 1.00 0.00 C ATOM 211 O LYS A 42 -2.040 7.947 11.501 1.00 0.00 O ATOM 212 CB LYS A 42 -4.867 9.255 11.209 1.00 0.00 C ATOM 213 CG LYS A 42 -6.325 9.471 11.582 1.00 0.00 C ATOM 214 CD LYS A 42 -6.888 8.290 12.360 1.00 0.00 C ATOM 215 CE LYS A 42 -8.234 8.621 12.987 1.00 0.00 C ATOM 216 NZ LYS A 42 -8.114 9.642 14.068 1.00 0.00 N ATOM 0 H LYS A 42 -4.540 11.033 12.941 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.183 8.163 12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.524 10.100 10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.789 8.368 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.417 10.378 12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.913 9.624 10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.997 7.434 11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.185 7.999 13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.912 8.988 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.677 7.712 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.981 9.642 14.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.298 9.415 14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.980 10.582 13.644 1.00 0.00 H new ATOM 230 N GLU A 43 -1.740 10.107 12.080 1.00 0.00 N ATOM 231 CA GLU A 43 -0.337 10.134 11.670 1.00 0.00 C ATOM 232 C GLU A 43 0.544 9.399 12.684 1.00 0.00 C ATOM 233 O GLU A 43 1.547 8.788 12.312 1.00 0.00 O ATOM 234 CB GLU A 43 0.151 11.576 11.495 1.00 0.00 C ATOM 235 CG GLU A 43 -0.483 12.294 10.313 1.00 0.00 C ATOM 236 CD GLU A 43 0.275 13.546 9.909 1.00 0.00 C ATOM 237 OE1 GLU A 43 -0.008 14.622 10.477 1.00 0.00 O ATOM 238 OE2 GLU A 43 1.150 13.450 9.023 1.00 0.00 O ATOM 0 H GLU A 43 -2.086 10.988 12.459 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.261 9.622 10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.061 12.136 12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.234 11.572 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.530 11.613 9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.509 12.561 10.564 1.00 0.00 H new ATOM 245 N MET A 44 0.160 9.459 13.964 1.00 0.00 N ATOM 246 CA MET A 44 0.910 8.791 15.030 1.00 0.00 C ATOM 247 C MET A 44 0.888 7.268 14.864 1.00 0.00 C ATOM 248 O MET A 44 1.804 6.579 15.318 1.00 0.00 O ATOM 249 CB MET A 44 0.349 9.172 16.404 1.00 0.00 C ATOM 250 CG MET A 44 0.536 10.640 16.758 1.00 0.00 C ATOM 251 SD MET A 44 0.018 11.021 18.442 1.00 0.00 S ATOM 252 CE MET A 44 -1.723 10.607 18.368 1.00 0.00 C ATOM 0 H MET A 44 -0.666 9.964 14.285 1.00 0.00 H new ATOM 0 HA MET A 44 1.945 9.126 14.960 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.714 8.934 16.431 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.832 8.560 17.166 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.585 10.908 16.636 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.033 11.253 16.060 1.00 0.00 H new ATOM 0 HE1 MET A 44 -2.318 11.503 18.547 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.960 10.205 17.383 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.952 9.861 19.129 1.00 0.00 H new ATOM 262 N MET A 45 -0.162 6.746 14.216 1.00 0.00 N ATOM 263 CA MET A 45 -0.296 5.304 13.990 1.00 0.00 C ATOM 264 C MET A 45 0.920 4.736 13.252 1.00 0.00 C ATOM 265 O MET A 45 1.300 3.585 13.470 1.00 0.00 O ATOM 266 CB MET A 45 -1.570 4.999 13.192 1.00 0.00 C ATOM 267 CG MET A 45 -2.853 5.415 13.897 1.00 0.00 C ATOM 268 SD MET A 45 -4.335 4.826 13.054 1.00 0.00 S ATOM 269 CE MET A 45 -4.157 5.609 11.452 1.00 0.00 C ATOM 0 H MET A 45 -0.930 7.302 13.840 1.00 0.00 H new ATOM 0 HA MET A 45 -0.359 4.826 14.968 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.515 5.507 12.229 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.611 3.929 12.986 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.843 5.030 14.917 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.888 6.502 13.967 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.135 5.932 11.094 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.499 6.473 11.541 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.729 4.898 10.745 1.00 0.00 H new ATOM 279 N SER A 46 1.525 5.553 12.383 1.00 0.00 N ATOM 280 CA SER A 46 2.700 5.143 11.610 1.00 0.00 C ATOM 281 C SER A 46 3.797 4.578 12.512 1.00 0.00 C ATOM 282 O SER A 46 4.478 3.621 12.142 1.00 0.00 O ATOM 283 CB SER A 46 3.250 6.329 10.816 1.00 0.00 C ATOM 284 OG SER A 46 2.307 6.783 9.862 1.00 0.00 O ATOM 0 H SER A 46 1.217 6.508 12.197 1.00 0.00 H new ATOM 0 HA SER A 46 2.384 4.357 10.924 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.503 7.141 11.497 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.171 6.038 10.312 1.00 0.00 H new ATOM 0 HG SER A 46 2.517 6.398 8.986 1.00 0.00 H new ATOM 290 N GLN A 47 3.959 5.177 13.694 1.00 0.00 N ATOM 291 CA GLN A 47 4.968 4.739 14.658 1.00 0.00 C ATOM 292 C GLN A 47 4.876 3.235 14.920 1.00 0.00 C ATOM 293 O GLN A 47 5.873 2.518 14.810 1.00 0.00 O ATOM 294 CB GLN A 47 4.806 5.508 15.971 1.00 0.00 C ATOM 295 CG GLN A 47 5.177 6.978 15.863 1.00 0.00 C ATOM 296 CD GLN A 47 4.956 7.734 17.161 1.00 0.00 C ATOM 297 OE1 GLN A 47 5.851 7.821 18.001 1.00 0.00 O ATOM 298 NE2 GLN A 47 3.757 8.282 17.333 1.00 0.00 N ATOM 0 H GLN A 47 3.400 5.971 14.007 1.00 0.00 H new ATOM 0 HA GLN A 47 5.950 4.947 14.233 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.772 5.426 16.305 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.426 5.040 16.736 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.224 7.064 15.571 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.586 7.441 15.072 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.044 8.185 16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.550 8.799 18.188 1.00 0.00 H new ATOM 307 N ALA A 48 3.676 2.764 15.261 1.00 0.00 N ATOM 308 CA ALA A 48 3.456 1.344 15.533 1.00 0.00 C ATOM 309 C ALA A 48 3.320 0.541 14.238 1.00 0.00 C ATOM 310 O ALA A 48 3.657 -0.644 14.200 1.00 0.00 O ATOM 311 CB ALA A 48 2.224 1.158 16.405 1.00 0.00 C ATOM 0 H ALA A 48 2.843 3.345 15.355 1.00 0.00 H new ATOM 0 HA ALA A 48 4.328 0.967 16.068 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.073 0.096 16.599 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.364 1.683 17.350 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.351 1.561 15.892 1.00 0.00 H new ATOM 317 N LEU A 49 2.830 1.193 13.180 1.00 0.00 N ATOM 318 CA LEU A 49 2.650 0.545 11.882 1.00 0.00 C ATOM 319 C LEU A 49 3.984 0.055 11.307 1.00 0.00 C ATOM 320 O LEU A 49 4.028 -0.961 10.613 1.00 0.00 O ATOM 321 CB LEU A 49 1.965 1.505 10.905 1.00 0.00 C ATOM 322 CG LEU A 49 0.468 1.715 11.157 1.00 0.00 C ATOM 323 CD1 LEU A 49 -0.061 2.879 10.335 1.00 0.00 C ATOM 324 CD2 LEU A 49 -0.308 0.444 10.841 1.00 0.00 C ATOM 0 H LEU A 49 2.550 2.174 13.200 1.00 0.00 H new ATOM 0 HA LEU A 49 2.015 -0.329 12.028 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.467 2.471 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.099 1.127 9.891 1.00 0.00 H new ATOM 0 HG LEU A 49 0.330 1.953 12.212 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.125 3.009 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.472 3.790 10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.091 2.675 9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.369 0.610 11.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.159 0.177 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.048 -0.367 11.476 1.00 0.00 H new ATOM 336 N LYS A 50 5.068 0.779 11.601 1.00 0.00 N ATOM 337 CA LYS A 50 6.400 0.403 11.123 1.00 0.00 C ATOM 338 C LYS A 50 6.845 -0.936 11.725 1.00 0.00 C ATOM 339 O LYS A 50 7.634 -1.664 11.121 1.00 0.00 O ATOM 340 CB LYS A 50 7.420 1.490 11.468 1.00 0.00 C ATOM 341 CG LYS A 50 7.254 2.765 10.657 1.00 0.00 C ATOM 342 CD LYS A 50 8.141 3.882 11.185 1.00 0.00 C ATOM 343 CE LYS A 50 7.612 4.447 12.495 1.00 0.00 C ATOM 344 NZ LYS A 50 8.439 5.584 12.988 1.00 0.00 N ATOM 0 H LYS A 50 5.049 1.627 12.167 1.00 0.00 H new ATOM 0 HA LYS A 50 6.346 0.295 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.336 1.731 12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.424 1.097 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.498 2.568 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.212 3.082 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.153 3.504 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.204 4.679 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.583 4.780 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.593 3.659 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.044 5.939 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.415 5.261 13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.436 6.347 12.281 1.00 0.00 H new ATOM 358 N ALA A 51 6.328 -1.252 12.916 1.00 0.00 N ATOM 359 CA ALA A 51 6.668 -2.495 13.607 1.00 0.00 C ATOM 360 C ALA A 51 5.692 -3.619 13.251 1.00 0.00 C ATOM 361 O ALA A 51 6.069 -4.792 13.235 1.00 0.00 O ATOM 362 CB ALA A 51 6.692 -2.274 15.114 1.00 0.00 C ATOM 0 H ALA A 51 5.670 -0.660 13.422 1.00 0.00 H new ATOM 0 HA ALA A 51 7.661 -2.798 13.277 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.947 -3.208 15.615 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.437 -1.516 15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.710 -1.939 15.448 1.00 0.00 H new ATOM 368 N THR A 52 4.438 -3.254 12.962 1.00 0.00 N ATOM 369 CA THR A 52 3.411 -4.235 12.606 1.00 0.00 C ATOM 370 C THR A 52 3.662 -4.827 11.218 1.00 0.00 C ATOM 371 O THR A 52 3.338 -5.990 10.968 1.00 0.00 O ATOM 372 CB THR A 52 1.996 -3.620 12.643 1.00 0.00 C ATOM 373 OG1 THR A 52 1.926 -2.487 11.769 1.00 0.00 O ATOM 374 CG2 THR A 52 1.621 -3.202 14.057 1.00 0.00 C ATOM 0 H THR A 52 4.112 -2.288 12.968 1.00 0.00 H new ATOM 0 HA THR A 52 3.471 -5.028 13.351 1.00 0.00 H new ATOM 0 HB THR A 52 1.289 -4.379 12.307 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.827 -2.256 11.460 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.620 -2.772 14.056 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.641 -4.074 14.711 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.334 -2.461 14.418 1.00 0.00 H new ATOM 382 N PHE A 53 4.238 -4.024 10.320 1.00 0.00 N ATOM 383 CA PHE A 53 4.531 -4.474 8.962 1.00 0.00 C ATOM 384 C PHE A 53 5.917 -5.113 8.890 1.00 0.00 C ATOM 385 O PHE A 53 6.867 -4.515 8.378 1.00 0.00 O ATOM 386 CB PHE A 53 4.431 -3.304 7.975 1.00 0.00 C ATOM 387 CG PHE A 53 3.022 -2.986 7.557 1.00 0.00 C ATOM 388 CD1 PHE A 53 2.153 -2.341 8.424 1.00 0.00 C ATOM 389 CD2 PHE A 53 2.567 -3.333 6.295 1.00 0.00 C ATOM 390 CE1 PHE A 53 0.858 -2.048 8.040 1.00 0.00 C ATOM 391 CE2 PHE A 53 1.273 -3.044 5.906 1.00 0.00 C ATOM 392 CZ PHE A 53 0.418 -2.400 6.778 1.00 0.00 C ATOM 0 H PHE A 53 4.510 -3.060 10.511 1.00 0.00 H new ATOM 0 HA PHE A 53 3.792 -5.226 8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.875 -2.418 8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.020 -3.537 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.492 -2.064 9.411 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.231 -3.835 5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.191 -1.545 8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.931 -3.322 4.920 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.593 -2.172 6.474 1.00 0.00 H new ATOM 402 N SER A 54 6.026 -6.333 9.419 1.00 0.00 N ATOM 403 CA SER A 54 7.289 -7.069 9.414 1.00 0.00 C ATOM 404 C SER A 54 7.627 -7.575 8.009 1.00 0.00 C ATOM 405 O SER A 54 8.795 -7.810 7.695 1.00 0.00 O ATOM 406 CB SER A 54 7.228 -8.244 10.394 1.00 0.00 C ATOM 407 OG SER A 54 7.023 -7.794 11.722 1.00 0.00 O ATOM 0 H SER A 54 5.252 -6.832 9.857 1.00 0.00 H new ATOM 0 HA SER A 54 8.076 -6.384 9.730 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.421 -8.919 10.107 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.155 -8.815 10.340 1.00 0.00 H new ATOM 0 HG SER A 54 6.986 -8.564 12.326 1.00 0.00 H new ATOM 413 N GLY A 55 6.599 -7.739 7.168 1.00 0.00 N ATOM 414 CA GLY A 55 6.808 -8.206 5.807 1.00 0.00 C ATOM 415 C GLY A 55 7.234 -7.091 4.861 1.00 0.00 C ATOM 416 O GLY A 55 7.742 -7.361 3.773 1.00 0.00 O ATOM 0 H GLY A 55 5.625 -7.555 7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.569 -8.986 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.888 -8.659 5.437 1.00 0.00 H new ATOM 420 N PHE A 56 7.030 -5.836 5.280 1.00 0.00 N ATOM 421 CA PHE A 56 7.401 -4.684 4.461 1.00 0.00 C ATOM 422 C PHE A 56 8.770 -4.148 4.866 1.00 0.00 C ATOM 423 O PHE A 56 9.656 -4.007 4.026 1.00 0.00 O ATOM 424 CB PHE A 56 6.351 -3.572 4.567 1.00 0.00 C ATOM 425 CG PHE A 56 6.605 -2.420 3.630 1.00 0.00 C ATOM 426 CD1 PHE A 56 6.956 -2.650 2.308 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.494 -1.111 4.071 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.192 -1.597 1.445 1.00 0.00 C ATOM 429 CE2 PHE A 56 6.727 -0.054 3.209 1.00 0.00 C ATOM 430 CZ PHE A 56 7.077 -0.299 1.896 1.00 0.00 C ATOM 0 H PHE A 56 6.611 -5.597 6.179 1.00 0.00 H new ATOM 0 HA PHE A 56 7.449 -5.018 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.366 -3.991 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.328 -3.200 5.591 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.046 -3.665 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.223 -0.914 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.466 -1.790 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.635 0.962 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.261 0.525 1.223 1.00 0.00 H new ATOM 440 N THR A 57 8.932 -3.853 6.159 1.00 0.00 N ATOM 441 CA THR A 57 10.197 -3.332 6.684 1.00 0.00 C ATOM 442 C THR A 57 11.369 -4.251 6.331 1.00 0.00 C ATOM 443 O THR A 57 12.485 -3.776 6.106 1.00 0.00 O ATOM 444 CB THR A 57 10.140 -3.135 8.213 1.00 0.00 C ATOM 445 OG1 THR A 57 9.070 -2.241 8.556 1.00 0.00 O ATOM 446 CG2 THR A 57 11.457 -2.584 8.744 1.00 0.00 C ATOM 0 H THR A 57 8.202 -3.966 6.862 1.00 0.00 H new ATOM 0 HA THR A 57 10.355 -2.362 6.213 1.00 0.00 H new ATOM 0 HB THR A 57 9.962 -4.108 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.850 -2.343 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.388 -2.455 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.263 -3.281 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.664 -1.621 8.276 1.00 0.00 H new ATOM 454 N LYS A 58 11.116 -5.561 6.281 1.00 0.00 N ATOM 455 CA LYS A 58 12.159 -6.527 5.933 1.00 0.00 C ATOM 456 C LYS A 58 12.672 -6.276 4.515 1.00 0.00 C ATOM 457 O LYS A 58 13.836 -6.534 4.210 1.00 0.00 O ATOM 458 CB LYS A 58 11.637 -7.961 6.051 1.00 0.00 C ATOM 459 CG LYS A 58 10.458 -8.262 5.140 1.00 0.00 C ATOM 460 CD LYS A 58 9.985 -9.700 5.294 1.00 0.00 C ATOM 461 CE LYS A 58 11.063 -10.699 4.895 1.00 0.00 C ATOM 462 NZ LYS A 58 11.487 -10.532 3.475 1.00 0.00 N ATOM 0 H LYS A 58 10.204 -5.975 6.476 1.00 0.00 H new ATOM 0 HA LYS A 58 12.982 -6.398 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.447 -8.653 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.343 -8.147 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.638 -7.582 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.743 -8.081 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.692 -9.877 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.098 -9.858 4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.928 -10.578 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.690 -11.712 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.078 -11.340 3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.646 -10.487 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.033 -9.653 3.377 1.00 0.00 H new ATOM 476 N GLU A 59 11.783 -5.781 3.653 1.00 0.00 N ATOM 477 CA GLU A 59 12.134 -5.469 2.277 1.00 0.00 C ATOM 478 C GLU A 59 12.775 -4.084 2.200 1.00 0.00 C ATOM 479 O GLU A 59 13.726 -3.872 1.447 1.00 0.00 O ATOM 480 CB GLU A 59 10.886 -5.515 1.391 1.00 0.00 C ATOM 481 CG GLU A 59 11.174 -5.302 -0.087 1.00 0.00 C ATOM 482 CD GLU A 59 11.955 -6.447 -0.703 1.00 0.00 C ATOM 483 OE1 GLU A 59 13.193 -6.478 -0.542 1.00 0.00 O ATOM 484 OE2 GLU A 59 11.328 -7.313 -1.350 1.00 0.00 O ATOM 0 H GLU A 59 10.810 -5.588 3.891 1.00 0.00 H new ATOM 0 HA GLU A 59 12.848 -6.211 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.395 -6.480 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.184 -4.752 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.232 -5.181 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.735 -4.376 -0.214 1.00 0.00 H new ATOM 491 N GLN A 60 12.237 -3.145 2.987 1.00 0.00 N ATOM 492 CA GLN A 60 12.747 -1.773 3.025 1.00 0.00 C ATOM 493 C GLN A 60 14.222 -1.736 3.420 1.00 0.00 C ATOM 494 O GLN A 60 14.944 -0.818 3.039 1.00 0.00 O ATOM 495 CB GLN A 60 11.930 -0.920 4.002 1.00 0.00 C ATOM 496 CG GLN A 60 10.432 -0.979 3.757 1.00 0.00 C ATOM 497 CD GLN A 60 9.683 0.157 4.426 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.236 0.033 5.566 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.543 1.274 3.718 1.00 0.00 N ATOM 0 H GLN A 60 11.445 -3.313 3.608 1.00 0.00 H new ATOM 0 HA GLN A 60 12.650 -1.362 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.136 -1.251 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.261 0.116 3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.242 -0.951 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.045 -1.930 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.930 1.333 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.049 2.072 4.117 1.00 0.00 H new ATOM 508 N GLN A 61 14.663 -2.727 4.197 1.00 0.00 N ATOM 509 CA GLN A 61 16.060 -2.800 4.620 1.00 0.00 C ATOM 510 C GLN A 61 16.919 -3.487 3.556 1.00 0.00 C ATOM 511 O GLN A 61 18.068 -3.100 3.332 1.00 0.00 O ATOM 512 CB GLN A 61 16.186 -3.536 5.957 1.00 0.00 C ATOM 513 CG GLN A 61 15.914 -5.030 5.867 1.00 0.00 C ATOM 514 CD GLN A 61 16.031 -5.736 7.205 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.786 -5.315 8.082 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.283 -6.823 7.368 1.00 0.00 N ATOM 0 H GLN A 61 14.076 -3.485 4.544 1.00 0.00 H new ATOM 0 HA GLN A 61 16.422 -1.780 4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.190 -3.383 6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.492 -3.093 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.913 -5.188 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.614 -5.479 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.670 -7.138 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.322 -7.342 8.245 1.00 0.00 H new ATOM 525 N ARG A 62 16.355 -4.504 2.902 1.00 0.00 N ATOM 526 CA ARG A 62 17.062 -5.245 1.859 1.00 0.00 C ATOM 527 C ARG A 62 17.365 -4.358 0.648 1.00 0.00 C ATOM 528 O ARG A 62 18.464 -4.404 0.094 1.00 0.00 O ATOM 529 CB ARG A 62 16.232 -6.453 1.410 1.00 0.00 C ATOM 530 CG ARG A 62 17.017 -7.752 1.369 1.00 0.00 C ATOM 531 CD ARG A 62 17.253 -8.308 2.765 1.00 0.00 C ATOM 532 NE ARG A 62 16.007 -8.731 3.407 1.00 0.00 N ATOM 533 CZ ARG A 62 15.877 -8.956 4.717 1.00 0.00 C ATOM 534 NH1 ARG A 62 16.911 -8.799 5.538 1.00 0.00 N ATOM 535 NH2 ARG A 62 14.703 -9.341 5.207 1.00 0.00 N ATOM 0 H ARG A 62 15.406 -4.834 3.078 1.00 0.00 H new ATOM 0 HA ARG A 62 18.007 -5.586 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.385 -6.572 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.824 -6.254 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.476 -8.486 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.975 -7.583 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.936 -9.155 2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.738 -7.550 3.380 1.00 0.00 H new ATOM 0 HE ARG A 62 15.186 -8.862 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.815 -8.504 5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.800 -8.974 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.905 -9.464 4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.600 -9.514 6.207 1.00 0.00 H new ATOM 549 N LEU A 63 16.380 -3.552 0.249 1.00 0.00 N ATOM 550 CA LEU A 63 16.515 -2.660 -0.905 1.00 0.00 C ATOM 551 C LEU A 63 16.845 -1.224 -0.493 1.00 0.00 C ATOM 552 O LEU A 63 17.497 -0.496 -1.245 1.00 0.00 O ATOM 553 CB LEU A 63 15.211 -2.664 -1.709 1.00 0.00 C ATOM 554 CG LEU A 63 14.717 -4.045 -2.145 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.294 -3.957 -2.668 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.637 -4.635 -3.203 1.00 0.00 C ATOM 0 H LEU A 63 15.473 -3.498 0.712 1.00 0.00 H new ATOM 0 HA LEU A 63 17.342 -3.032 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.433 -2.190 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.349 -2.048 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 63 14.728 -4.704 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.957 -4.947 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.640 -3.578 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.262 -3.282 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.268 -5.617 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.660 -3.978 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.643 -4.733 -2.796 1.00 0.00 H new ATOM 568 N GLY A 64 16.396 -0.815 0.695 1.00 0.00 N ATOM 569 CA GLY A 64 16.640 0.543 1.161 1.00 0.00 C ATOM 570 C GLY A 64 15.436 1.457 0.957 1.00 0.00 C ATOM 571 O GLY A 64 15.528 2.665 1.184 1.00 0.00 O ATOM 0 H GLY A 64 15.868 -1.400 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.898 0.519 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.499 0.956 0.632 1.00 0.00 H new ATOM 575 N ILE A 65 14.308 0.877 0.524 1.00 0.00 N ATOM 576 CA ILE A 65 13.078 1.636 0.289 1.00 0.00 C ATOM 577 C ILE A 65 12.697 2.469 1.514 1.00 0.00 C ATOM 578 O ILE A 65 12.461 1.923 2.593 1.00 0.00 O ATOM 579 CB ILE A 65 11.898 0.704 -0.072 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.231 -0.136 -1.308 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.632 1.519 -0.307 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.232 -1.241 -1.579 1.00 0.00 C ATOM 0 H ILE A 65 14.225 -0.121 0.329 1.00 0.00 H new ATOM 0 HA ILE A 65 13.277 2.301 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 65 11.726 0.027 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.281 0.518 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.221 -0.575 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.810 0.849 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.383 2.073 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.796 2.218 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.533 -1.793 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.198 -1.918 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.244 -0.808 -1.738 1.00 0.00 H new ATOM 594 N PRO A 66 12.636 3.807 1.360 1.00 0.00 N ATOM 595 CA PRO A 66 12.275 4.717 2.455 1.00 0.00 C ATOM 596 C PRO A 66 10.851 4.486 2.958 1.00 0.00 C ATOM 597 O PRO A 66 10.059 3.798 2.310 1.00 0.00 O ATOM 598 CB PRO A 66 12.390 6.114 1.830 1.00 0.00 C ATOM 599 CG PRO A 66 13.198 5.932 0.592 1.00 0.00 C ATOM 600 CD PRO A 66 12.922 4.536 0.114 1.00 0.00 C ATOM 0 HA PRO A 66 12.919 4.570 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.406 6.523 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.873 6.811 2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.920 6.665 -0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.260 6.071 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.077 4.505 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.778 4.114 -0.413 1.00 0.00 H new ATOM 608 N LYS A 67 10.530 5.069 4.112 1.00 0.00 N ATOM 609 CA LYS A 67 9.197 4.931 4.695 1.00 0.00 C ATOM 610 C LYS A 67 8.337 6.162 4.381 1.00 0.00 C ATOM 611 O LYS A 67 7.594 6.648 5.238 1.00 0.00 O ATOM 612 CB LYS A 67 9.294 4.723 6.213 1.00 0.00 C ATOM 613 CG LYS A 67 9.816 3.352 6.622 1.00 0.00 C ATOM 614 CD LYS A 67 11.305 3.203 6.339 1.00 0.00 C ATOM 615 CE LYS A 67 11.831 1.844 6.782 1.00 0.00 C ATOM 616 NZ LYS A 67 11.720 1.649 8.256 1.00 0.00 N ATOM 0 H LYS A 67 11.173 5.640 4.660 1.00 0.00 H new ATOM 0 HA LYS A 67 8.721 4.056 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.947 5.488 6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.307 4.870 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.631 3.196 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.265 2.579 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.487 3.333 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.854 3.991 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.276 1.057 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.874 1.745 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.267 0.810 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.094 2.487 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.722 1.514 8.514 1.00 0.00 H new ATOM 630 N ASP A 68 8.441 6.658 3.143 1.00 0.00 N ATOM 631 CA ASP A 68 7.679 7.829 2.718 1.00 0.00 C ATOM 632 C ASP A 68 7.504 7.852 1.197 1.00 0.00 C ATOM 633 O ASP A 68 8.483 7.799 0.452 1.00 0.00 O ATOM 634 CB ASP A 68 8.381 9.107 3.186 1.00 0.00 C ATOM 635 CG ASP A 68 7.585 10.358 2.869 1.00 0.00 C ATOM 636 OD1 ASP A 68 6.471 10.507 3.414 1.00 0.00 O ATOM 637 OD2 ASP A 68 8.072 11.186 2.074 1.00 0.00 O ATOM 0 H ASP A 68 9.045 6.265 2.422 1.00 0.00 H new ATOM 0 HA ASP A 68 6.689 7.775 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.551 9.051 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.360 9.174 2.712 1.00 0.00 H new ATOM 642 N PRO A 69 6.243 7.941 0.721 1.00 0.00 N ATOM 643 CA PRO A 69 5.927 7.969 -0.715 1.00 0.00 C ATOM 644 C PRO A 69 6.410 9.241 -1.408 1.00 0.00 C ATOM 645 O PRO A 69 6.862 9.188 -2.550 1.00 0.00 O ATOM 646 CB PRO A 69 4.399 7.884 -0.755 1.00 0.00 C ATOM 647 CG PRO A 69 3.948 8.389 0.571 1.00 0.00 C ATOM 648 CD PRO A 69 5.027 8.021 1.551 1.00 0.00 C ATOM 0 HA PRO A 69 6.426 7.158 -1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.992 8.488 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.065 6.860 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.797 9.468 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.996 7.941 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.127 8.771 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.815 7.071 2.042 1.00 0.00 H new ATOM 656 N ARG A 70 6.315 10.384 -0.728 1.00 0.00 N ATOM 657 CA ARG A 70 6.762 11.652 -1.308 1.00 0.00 C ATOM 658 C ARG A 70 8.261 11.612 -1.609 1.00 0.00 C ATOM 659 O ARG A 70 8.722 12.224 -2.574 1.00 0.00 O ATOM 660 CB ARG A 70 6.445 12.825 -0.373 1.00 0.00 C ATOM 661 CG ARG A 70 4.972 13.211 -0.338 1.00 0.00 C ATOM 662 CD ARG A 70 4.148 12.248 0.507 1.00 0.00 C ATOM 663 NE ARG A 70 4.620 12.185 1.890 1.00 0.00 N ATOM 664 CZ ARG A 70 4.221 13.014 2.860 1.00 0.00 C ATOM 665 NH1 ARG A 70 3.338 13.977 2.608 1.00 0.00 N ATOM 666 NH2 ARG A 70 4.712 12.880 4.088 1.00 0.00 N ATOM 0 H ARG A 70 5.936 10.459 0.216 1.00 0.00 H new ATOM 0 HA ARG A 70 6.221 11.799 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.766 12.568 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.029 13.691 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.871 14.220 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.578 13.229 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.103 12.559 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.189 11.253 0.065 1.00 0.00 H new ATOM 0 HE ARG A 70 5.298 11.461 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.959 14.088 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.040 14.604 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.391 12.146 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.409 13.511 4.830 1.00 0.00 H new ATOM 680 N GLN A 71 9.014 10.887 -0.778 1.00 0.00 N ATOM 681 CA GLN A 71 10.458 10.752 -0.957 1.00 0.00 C ATOM 682 C GLN A 71 10.801 9.424 -1.643 1.00 0.00 C ATOM 683 O GLN A 71 11.757 8.743 -1.264 1.00 0.00 O ATOM 684 CB GLN A 71 11.165 10.851 0.398 1.00 0.00 C ATOM 685 CG GLN A 71 11.002 12.208 1.071 1.00 0.00 C ATOM 686 CD GLN A 71 11.489 12.228 2.513 1.00 0.00 C ATOM 687 OE1 GLN A 71 11.271 11.137 3.246 1.00 0.00 O flip ATOM 688 NE2 GLN A 71 12.039 13.229 2.974 1.00 0.00 N flip ATOM 0 H GLN A 71 8.644 10.383 0.028 1.00 0.00 H new ATOM 0 HA GLN A 71 10.804 11.563 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.775 10.077 1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.227 10.648 0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.550 12.957 0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.951 12.494 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.189 14.046 2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.344 13.241 3.947 1.00 0.00 H new ATOM 697 N TRP A 72 10.009 9.066 -2.656 1.00 0.00 N ATOM 698 CA TRP A 72 10.215 7.833 -3.413 1.00 0.00 C ATOM 699 C TRP A 72 10.464 8.145 -4.885 1.00 0.00 C ATOM 700 O TRP A 72 10.292 9.286 -5.322 1.00 0.00 O ATOM 701 CB TRP A 72 8.980 6.936 -3.304 1.00 0.00 C ATOM 702 CG TRP A 72 9.030 5.930 -2.197 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.937 5.851 -1.181 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.115 4.849 -2.005 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.639 4.785 -0.367 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.524 4.155 -0.854 1.00 0.00 C ATOM 707 CE3 TRP A 72 6.987 4.404 -2.697 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.844 3.038 -0.379 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.313 3.297 -2.227 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.743 2.625 -1.077 1.00 0.00 C ATOM 0 H TRP A 72 9.213 9.619 -2.972 1.00 0.00 H new ATOM 0 HA TRP A 72 11.083 7.322 -2.997 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.102 7.566 -3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.847 6.409 -4.249 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.767 6.527 -1.038 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.162 4.508 0.464 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.648 4.918 -3.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.173 2.517 0.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.440 2.943 -2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.193 1.761 -0.733 1.00 0.00 H new ATOM 721 N THR A 73 10.869 7.132 -5.652 1.00 0.00 N ATOM 722 CA THR A 73 11.093 7.306 -7.083 1.00 0.00 C ATOM 723 C THR A 73 10.442 6.160 -7.864 1.00 0.00 C ATOM 724 O THR A 73 9.819 5.279 -7.268 1.00 0.00 O ATOM 725 CB THR A 73 12.598 7.404 -7.420 1.00 0.00 C ATOM 726 OG1 THR A 73 12.778 7.743 -8.801 1.00 0.00 O ATOM 727 CG2 THR A 73 13.312 6.094 -7.117 1.00 0.00 C ATOM 0 H THR A 73 11.047 6.189 -5.307 1.00 0.00 H new ATOM 0 HA THR A 73 10.630 8.247 -7.379 1.00 0.00 H new ATOM 0 HB THR A 73 13.030 8.187 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.735 7.804 -9.001 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.369 6.191 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.206 5.858 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.872 5.294 -7.712 1.00 0.00 H new ATOM 735 N GLU A 74 10.584 6.171 -9.191 1.00 0.00 N ATOM 736 CA GLU A 74 9.989 5.134 -10.041 1.00 0.00 C ATOM 737 C GLU A 74 10.316 3.725 -9.539 1.00 0.00 C ATOM 738 O GLU A 74 9.441 2.859 -9.507 1.00 0.00 O ATOM 739 CB GLU A 74 10.461 5.289 -11.490 1.00 0.00 C ATOM 740 CG GLU A 74 10.045 6.603 -12.129 1.00 0.00 C ATOM 741 CD GLU A 74 10.334 6.647 -13.617 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.466 7.018 -13.993 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.426 6.309 -14.406 1.00 0.00 O ATOM 0 H GLU A 74 11.105 6.885 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 74 8.908 5.265 -9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.548 5.208 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.064 4.465 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.979 6.761 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.568 7.423 -11.637 1.00 0.00 H new ATOM 750 N THR A 75 11.572 3.504 -9.148 1.00 0.00 N ATOM 751 CA THR A 75 12.002 2.196 -8.653 1.00 0.00 C ATOM 752 C THR A 75 11.262 1.816 -7.369 1.00 0.00 C ATOM 753 O THR A 75 10.733 0.712 -7.261 1.00 0.00 O ATOM 754 CB THR A 75 13.521 2.160 -8.392 1.00 0.00 C ATOM 755 OG1 THR A 75 14.231 2.584 -9.562 1.00 0.00 O ATOM 756 CG2 THR A 75 13.975 0.759 -8.005 1.00 0.00 C ATOM 0 H THR A 75 12.307 4.211 -9.164 1.00 0.00 H new ATOM 0 HA THR A 75 11.761 1.473 -9.432 1.00 0.00 H new ATOM 0 HB THR A 75 13.737 2.838 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.195 2.560 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.050 0.761 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.457 0.446 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.743 0.065 -8.813 1.00 0.00 H new ATOM 764 N HIS A 76 11.233 2.736 -6.399 1.00 0.00 N ATOM 765 CA HIS A 76 10.553 2.487 -5.124 1.00 0.00 C ATOM 766 C HIS A 76 9.059 2.244 -5.334 1.00 0.00 C ATOM 767 O HIS A 76 8.474 1.364 -4.704 1.00 0.00 O ATOM 768 CB HIS A 76 10.756 3.653 -4.152 1.00 0.00 C ATOM 769 CG HIS A 76 12.169 3.805 -3.674 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.778 5.030 -3.498 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.092 2.875 -3.328 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.013 4.848 -3.068 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.227 3.551 -2.955 1.00 0.00 N ATOM 0 H HIS A 76 11.670 3.655 -6.472 1.00 0.00 H new ATOM 0 HA HIS A 76 10.996 1.590 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.446 4.578 -4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.104 3.513 -3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.959 1.803 -3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.726 5.628 -2.847 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.096 3.120 -2.641 1.00 0.00 H new ATOM 782 N VAL A 77 8.451 3.036 -6.218 1.00 0.00 N ATOM 783 CA VAL A 77 7.029 2.909 -6.529 1.00 0.00 C ATOM 784 C VAL A 77 6.717 1.544 -7.138 1.00 0.00 C ATOM 785 O VAL A 77 5.879 0.800 -6.627 1.00 0.00 O ATOM 786 CB VAL A 77 6.578 4.011 -7.514 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.157 3.752 -8.000 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.682 5.380 -6.857 1.00 0.00 C ATOM 0 H VAL A 77 8.926 3.777 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 77 6.485 3.016 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 77 7.239 3.992 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.860 4.540 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.116 2.788 -8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.477 3.742 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.361 6.147 -7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.044 5.409 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.715 5.566 -6.564 1.00 0.00 H new ATOM 798 N ARG A 78 7.412 1.227 -8.232 1.00 0.00 N ATOM 799 CA ARG A 78 7.222 -0.036 -8.944 1.00 0.00 C ATOM 800 C ARG A 78 7.613 -1.229 -8.074 1.00 0.00 C ATOM 801 O ARG A 78 6.868 -2.207 -7.997 1.00 0.00 O ATOM 802 CB ARG A 78 8.030 -0.027 -10.249 1.00 0.00 C ATOM 803 CG ARG A 78 8.028 -1.353 -10.999 1.00 0.00 C ATOM 804 CD ARG A 78 9.146 -2.270 -10.526 1.00 0.00 C ATOM 805 NE ARG A 78 10.471 -1.687 -10.742 1.00 0.00 N ATOM 806 CZ ARG A 78 11.572 -2.072 -10.091 1.00 0.00 C ATOM 807 NH1 ARG A 78 11.516 -3.040 -9.180 1.00 0.00 N ATOM 808 NH2 ARG A 78 12.736 -1.485 -10.354 1.00 0.00 N ATOM 0 H ARG A 78 8.118 1.835 -8.647 1.00 0.00 H new ATOM 0 HA ARG A 78 6.164 -0.139 -9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.631 0.748 -10.904 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.060 0.247 -10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.067 -1.849 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.138 -1.167 -12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.014 -2.483 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.080 -3.222 -11.053 1.00 0.00 H new ATOM 0 HE ARG A 78 10.559 -0.941 -11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.627 -3.495 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.362 -3.327 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.787 -0.742 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.578 -1.777 -9.858 1.00 0.00 H new ATOM 822 N ASP A 79 8.775 -1.152 -7.425 1.00 0.00 N ATOM 823 CA ASP A 79 9.235 -2.242 -6.568 1.00 0.00 C ATOM 824 C ASP A 79 8.253 -2.480 -5.422 1.00 0.00 C ATOM 825 O ASP A 79 7.936 -3.625 -5.099 1.00 0.00 O ATOM 826 CB ASP A 79 10.633 -1.951 -6.013 1.00 0.00 C ATOM 827 CG ASP A 79 11.229 -3.144 -5.290 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.803 -3.421 -4.149 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.120 -3.802 -5.866 1.00 0.00 O ATOM 0 H ASP A 79 9.409 -0.354 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 79 9.287 -3.145 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.292 -1.659 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.580 -1.104 -5.329 1.00 0.00 H new ATOM 834 N TRP A 80 7.774 -1.391 -4.811 1.00 0.00 N ATOM 835 CA TRP A 80 6.819 -1.500 -3.711 1.00 0.00 C ATOM 836 C TRP A 80 5.548 -2.188 -4.204 1.00 0.00 C ATOM 837 O TRP A 80 5.186 -3.253 -3.708 1.00 0.00 O ATOM 838 CB TRP A 80 6.507 -0.121 -3.115 1.00 0.00 C ATOM 839 CG TRP A 80 5.245 -0.085 -2.308 1.00 0.00 C ATOM 840 CD1 TRP A 80 5.027 -0.669 -1.092 1.00 0.00 C ATOM 841 CD2 TRP A 80 4.026 0.571 -2.664 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.744 -0.416 -0.674 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.109 0.344 -1.623 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.622 1.329 -3.767 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.813 0.848 -1.652 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.336 1.830 -3.794 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.446 1.588 -2.743 1.00 0.00 C ATOM 0 H TRP A 80 8.030 -0.435 -5.058 1.00 0.00 H new ATOM 0 HA TRP A 80 7.260 -2.103 -2.918 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.340 0.189 -2.484 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.431 0.606 -3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.756 -1.245 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.330 -0.740 0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.303 1.519 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.122 0.662 -0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.012 2.418 -4.640 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.447 1.994 -2.793 1.00 0.00 H new ATOM 858 N VAL A 81 4.858 -1.550 -5.159 1.00 0.00 N ATOM 859 CA VAL A 81 3.655 -2.126 -5.763 1.00 0.00 C ATOM 860 C VAL A 81 3.837 -3.625 -6.013 1.00 0.00 C ATOM 861 O VAL A 81 2.989 -4.432 -5.637 1.00 0.00 O ATOM 862 CB VAL A 81 3.308 -1.426 -7.100 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.221 -2.181 -7.850 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.882 0.013 -6.855 1.00 0.00 C ATOM 0 H VAL A 81 5.115 -0.634 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 81 2.836 -1.973 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 81 4.205 -1.424 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.999 -1.666 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.564 -3.193 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.321 -2.226 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.642 0.488 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.003 0.028 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.695 0.556 -6.373 1.00 0.00 H new ATOM 874 N MET A 82 4.962 -3.982 -6.640 1.00 0.00 N ATOM 875 CA MET A 82 5.280 -5.378 -6.938 1.00 0.00 C ATOM 876 C MET A 82 5.316 -6.211 -5.658 1.00 0.00 C ATOM 877 O MET A 82 4.774 -7.317 -5.611 1.00 0.00 O ATOM 878 CB MET A 82 6.625 -5.467 -7.662 1.00 0.00 C ATOM 879 CG MET A 82 6.863 -6.802 -8.348 1.00 0.00 C ATOM 880 SD MET A 82 8.185 -6.724 -9.573 1.00 0.00 S ATOM 881 CE MET A 82 7.515 -5.519 -10.719 1.00 0.00 C ATOM 0 H MET A 82 5.670 -3.317 -6.952 1.00 0.00 H new ATOM 0 HA MET A 82 4.500 -5.778 -7.585 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.681 -4.672 -8.405 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.426 -5.289 -6.945 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.111 -7.553 -7.598 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.942 -7.127 -8.832 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.212 -5.376 -11.545 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.561 -5.877 -11.107 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.364 -4.571 -10.203 1.00 0.00 H new ATOM 891 N TRP A 83 5.967 -5.670 -4.626 1.00 0.00 N ATOM 892 CA TRP A 83 6.064 -6.338 -3.329 1.00 0.00 C ATOM 893 C TRP A 83 4.669 -6.592 -2.745 1.00 0.00 C ATOM 894 O TRP A 83 4.427 -7.634 -2.138 1.00 0.00 O ATOM 895 CB TRP A 83 6.908 -5.488 -2.366 1.00 0.00 C ATOM 896 CG TRP A 83 6.735 -5.847 -0.920 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.482 -6.734 -0.199 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.746 -5.329 -0.022 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.017 -6.800 1.092 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.952 -5.947 1.225 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.707 -4.402 -0.152 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.156 -5.668 2.333 1.00 0.00 C ATOM 903 CZ3 TRP A 83 3.918 -4.128 0.949 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.147 -4.757 2.177 1.00 0.00 C ATOM 0 H TRP A 83 6.437 -4.766 -4.666 1.00 0.00 H new ATOM 0 HA TRP A 83 6.552 -7.303 -3.467 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.960 -5.593 -2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.648 -4.438 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.316 -7.300 -0.587 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.402 -7.388 1.831 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.525 -3.909 -1.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.329 -6.154 3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.111 -3.416 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.515 -4.519 3.019 1.00 0.00 H new ATOM 915 N ALA A 84 3.755 -5.636 -2.943 1.00 0.00 N ATOM 916 CA ALA A 84 2.385 -5.759 -2.445 1.00 0.00 C ATOM 917 C ALA A 84 1.590 -6.787 -3.259 1.00 0.00 C ATOM 918 O ALA A 84 0.575 -7.308 -2.793 1.00 0.00 O ATOM 919 CB ALA A 84 1.689 -4.408 -2.471 1.00 0.00 C ATOM 0 H ALA A 84 3.942 -4.768 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 84 2.431 -6.110 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.671 -4.516 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.234 -3.706 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.662 -4.032 -3.494 1.00 0.00 H new ATOM 925 N VAL A 85 2.063 -7.075 -4.474 1.00 0.00 N ATOM 926 CA VAL A 85 1.414 -8.047 -5.347 1.00 0.00 C ATOM 927 C VAL A 85 1.828 -9.467 -4.956 1.00 0.00 C ATOM 928 O VAL A 85 1.052 -10.411 -5.097 1.00 0.00 O ATOM 929 CB VAL A 85 1.768 -7.798 -6.831 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.217 -8.906 -7.717 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.245 -6.444 -7.288 1.00 0.00 C ATOM 0 H VAL A 85 2.897 -6.645 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 85 0.337 -7.932 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 85 2.854 -7.799 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.480 -8.706 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.643 -9.862 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.132 -8.945 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.505 -6.288 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.161 -6.415 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.694 -5.657 -6.682 1.00 0.00 H new ATOM 941 N ASN A 86 3.065 -9.603 -4.464 1.00 0.00 N ATOM 942 CA ASN A 86 3.597 -10.897 -4.041 1.00 0.00 C ATOM 943 C ASN A 86 3.166 -11.230 -2.610 1.00 0.00 C ATOM 944 O ASN A 86 2.912 -12.391 -2.288 1.00 0.00 O ATOM 945 CB ASN A 86 5.128 -10.895 -4.135 1.00 0.00 C ATOM 946 CG ASN A 86 5.630 -10.535 -5.524 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.995 -10.853 -6.530 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.776 -9.864 -5.586 1.00 0.00 N ATOM 0 H ASN A 86 3.717 -8.827 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 86 3.195 -11.660 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.531 -10.186 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.506 -11.880 -3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.160 -9.593 -6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.271 -9.620 -4.728 1.00 0.00 H new ATOM 955 N GLU A 87 3.081 -10.203 -1.758 1.00 0.00 N ATOM 956 CA GLU A 87 2.679 -10.386 -0.362 1.00 0.00 C ATOM 957 C GLU A 87 1.183 -10.680 -0.252 1.00 0.00 C ATOM 958 O GLU A 87 0.766 -11.519 0.547 1.00 0.00 O ATOM 959 CB GLU A 87 3.020 -9.141 0.462 1.00 0.00 C ATOM 960 CG GLU A 87 4.512 -8.867 0.579 1.00 0.00 C ATOM 961 CD GLU A 87 5.200 -9.769 1.587 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.549 -10.911 1.222 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.395 -9.330 2.740 1.00 0.00 O ATOM 0 H GLU A 87 3.286 -9.237 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 87 3.230 -11.240 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.536 -8.275 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.602 -9.254 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.978 -8.999 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.664 -7.827 0.867 1.00 0.00 H new ATOM 970 N PHE A 88 0.381 -9.984 -1.062 1.00 0.00 N ATOM 971 CA PHE A 88 -1.069 -10.168 -1.055 1.00 0.00 C ATOM 972 C PHE A 88 -1.548 -10.988 -2.260 1.00 0.00 C ATOM 973 O PHE A 88 -2.752 -11.076 -2.508 1.00 0.00 O ATOM 974 CB PHE A 88 -1.775 -8.807 -1.048 1.00 0.00 C ATOM 975 CG PHE A 88 -1.525 -7.997 0.193 1.00 0.00 C ATOM 976 CD1 PHE A 88 -2.349 -8.130 1.299 1.00 0.00 C ATOM 977 CD2 PHE A 88 -0.471 -7.098 0.252 1.00 0.00 C ATOM 978 CE1 PHE A 88 -2.126 -7.384 2.439 1.00 0.00 C ATOM 979 CE2 PHE A 88 -0.245 -6.349 1.390 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.073 -6.492 2.484 1.00 0.00 C ATOM 0 H PHE A 88 0.713 -9.289 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.322 -10.720 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.447 -8.234 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.848 -8.965 -1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.175 -8.825 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.180 -6.982 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.775 -7.498 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.579 -5.652 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.898 -5.907 3.375 1.00 0.00 H new ATOM 990 N SER A 89 -0.601 -11.595 -2.997 1.00 0.00 N ATOM 991 CA SER A 89 -0.921 -12.396 -4.184 1.00 0.00 C ATOM 992 C SER A 89 -2.003 -11.720 -5.033 1.00 0.00 C ATOM 993 O SER A 89 -3.008 -12.339 -5.391 1.00 0.00 O ATOM 994 CB SER A 89 -1.354 -13.812 -3.780 1.00 0.00 C ATOM 995 OG SER A 89 -2.499 -13.786 -2.945 1.00 0.00 O ATOM 0 H SER A 89 0.396 -11.543 -2.787 1.00 0.00 H new ATOM 0 HA SER A 89 -0.019 -12.472 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.568 -14.397 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.535 -14.310 -3.261 1.00 0.00 H new ATOM 0 HG SER A 89 -2.751 -14.703 -2.706 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.781 -10.445 -5.359 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.738 -9.679 -6.152 1.00 0.00 C ATOM 1003 C LEU A 90 -2.602 -9.998 -7.640 1.00 0.00 C ATOM 1004 O LEU A 90 -1.666 -10.685 -8.056 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.544 -8.177 -5.915 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.656 -7.725 -4.456 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.429 -6.224 -4.341 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.011 -8.105 -3.878 1.00 0.00 C ATOM 0 H LEU A 90 -0.948 -9.924 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.741 -9.963 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.563 -7.890 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.283 -7.634 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.883 -8.235 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.513 -5.922 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.434 -5.977 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.178 -5.696 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.070 -7.775 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.801 -7.626 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.135 -9.187 -3.922 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.543 -9.494 -8.437 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.533 -9.722 -9.881 1.00 0.00 C ATOM 1022 C LYS A 91 -4.279 -8.612 -10.621 1.00 0.00 C ATOM 1023 O LYS A 91 -5.082 -7.887 -10.031 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.147 -11.089 -10.218 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.634 -11.207 -9.899 1.00 0.00 C ATOM 1026 CD LYS A 91 -5.882 -11.394 -8.409 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.360 -11.602 -8.108 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.879 -12.873 -8.688 1.00 0.00 N ATOM 0 H LYS A 91 -4.322 -8.925 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.494 -9.713 -10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.998 -11.289 -11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.608 -11.861 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.151 -10.312 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.057 -12.050 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.313 -12.251 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.519 -10.521 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.512 -11.608 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.932 -10.763 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.813 -13.084 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.965 -12.774 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.222 -13.649 -8.468 1.00 0.00 H new ATOM 1042 N GLY A 92 -3.999 -8.485 -11.919 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.650 -7.467 -12.731 1.00 0.00 C ATOM 1044 C GLY A 92 -4.028 -6.083 -12.596 1.00 0.00 C ATOM 1045 O GLY A 92 -4.396 -5.168 -13.336 1.00 0.00 O ATOM 0 H GLY A 92 -3.332 -9.070 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.613 -7.771 -13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.702 -7.411 -12.452 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.091 -5.916 -11.656 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.437 -4.627 -11.450 1.00 0.00 C ATOM 1051 C VAL A 93 -1.336 -4.404 -12.486 1.00 0.00 C ATOM 1052 O VAL A 93 -0.503 -5.282 -12.722 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.845 -4.502 -10.026 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.694 -5.477 -9.817 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.397 -3.072 -9.756 1.00 0.00 C ATOM 0 H VAL A 93 -2.772 -6.656 -11.030 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.203 -3.860 -11.568 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.629 -4.758 -9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.300 -5.364 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.052 -6.497 -9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.095 -5.269 -10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.984 -3.004 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.635 -2.786 -10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.251 -2.400 -9.843 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.345 -3.225 -13.103 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.354 -2.881 -14.117 1.00 0.00 C ATOM 1067 C ASP A 94 0.701 -1.931 -13.550 1.00 0.00 C ATOM 1068 O ASP A 94 0.382 -1.008 -12.797 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.044 -2.250 -15.330 1.00 0.00 C ATOM 1070 CG ASP A 94 -0.092 -2.014 -16.486 1.00 0.00 C ATOM 1071 OD1 ASP A 94 0.389 -3.005 -17.073 1.00 0.00 O ATOM 1072 OD2 ASP A 94 0.171 -0.838 -16.802 1.00 0.00 O ATOM 0 H ASP A 94 -2.029 -2.491 -12.918 1.00 0.00 H new ATOM 0 HA ASP A 94 0.150 -3.795 -14.431 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.856 -2.899 -15.659 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.493 -1.302 -15.035 1.00 0.00 H new ATOM 1077 N PHE A 95 1.959 -2.167 -13.926 1.00 0.00 N ATOM 1078 CA PHE A 95 3.075 -1.346 -13.454 1.00 0.00 C ATOM 1079 C PHE A 95 3.327 -0.149 -14.374 1.00 0.00 C ATOM 1080 O PHE A 95 3.871 0.866 -13.933 1.00 0.00 O ATOM 1081 CB PHE A 95 4.343 -2.193 -13.317 1.00 0.00 C ATOM 1082 CG PHE A 95 4.252 -3.233 -12.237 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.622 -2.931 -10.936 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.790 -4.510 -12.518 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.536 -3.882 -9.938 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.701 -5.464 -11.523 1.00 0.00 C ATOM 1087 CZ PHE A 95 4.074 -5.150 -10.232 1.00 0.00 C ATOM 0 H PHE A 95 2.231 -2.921 -14.557 1.00 0.00 H new ATOM 0 HA PHE A 95 2.804 -0.955 -12.473 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.547 -2.685 -14.268 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.188 -1.537 -13.109 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.982 -1.940 -10.700 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.496 -4.762 -13.526 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.830 -3.634 -8.929 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.340 -6.455 -11.755 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.005 -5.895 -9.453 1.00 0.00 H new ATOM 1097 N GLN A 96 2.939 -0.264 -15.649 1.00 0.00 N ATOM 1098 CA GLN A 96 3.107 0.841 -16.598 1.00 0.00 C ATOM 1099 C GLN A 96 2.300 2.056 -16.131 1.00 0.00 C ATOM 1100 O GLN A 96 2.680 3.200 -16.385 1.00 0.00 O ATOM 1101 CB GLN A 96 2.668 0.432 -18.011 1.00 0.00 C ATOM 1102 CG GLN A 96 3.310 -0.855 -18.512 1.00 0.00 C ATOM 1103 CD GLN A 96 4.827 -0.778 -18.573 1.00 0.00 C ATOM 1104 OE1 GLN A 96 5.400 0.289 -18.797 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.487 -1.914 -18.373 1.00 0.00 N ATOM 0 H GLN A 96 2.511 -1.101 -16.044 1.00 0.00 H new ATOM 0 HA GLN A 96 4.165 1.100 -16.634 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.584 0.314 -18.024 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.909 1.239 -18.703 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.020 -1.678 -17.858 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.923 -1.085 -19.505 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.974 -2.776 -18.190 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.507 -1.923 -18.402 1.00 0.00 H new ATOM 1114 N LYS A 97 1.183 1.788 -15.444 1.00 0.00 N ATOM 1115 CA LYS A 97 0.321 2.839 -14.904 1.00 0.00 C ATOM 1116 C LYS A 97 1.020 3.587 -13.769 1.00 0.00 C ATOM 1117 O LYS A 97 0.830 4.792 -13.602 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.991 2.234 -14.387 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.772 1.456 -15.438 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.945 2.250 -16.726 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.750 3.521 -16.501 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.902 4.311 -17.754 1.00 0.00 N ATOM 0 H LYS A 97 0.855 0.842 -15.249 1.00 0.00 H new ATOM 0 HA LYS A 97 0.104 3.544 -15.707 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.769 1.572 -13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.621 3.035 -14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.255 0.521 -15.655 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.752 1.193 -15.040 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.965 2.507 -17.129 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.444 1.630 -17.471 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.735 3.263 -16.113 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.259 4.132 -15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.456 5.169 -17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.963 4.579 -18.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.393 3.737 -18.469 1.00 0.00 H new ATOM 1136 N PHE A 98 1.829 2.862 -12.989 1.00 0.00 N ATOM 1137 CA PHE A 98 2.561 3.458 -11.871 1.00 0.00 C ATOM 1138 C PHE A 98 4.026 3.710 -12.240 1.00 0.00 C ATOM 1139 O PHE A 98 4.910 3.633 -11.382 1.00 0.00 O ATOM 1140 CB PHE A 98 2.487 2.551 -10.636 1.00 0.00 C ATOM 1141 CG PHE A 98 1.091 2.317 -10.129 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.275 3.382 -9.781 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.598 1.029 -9.996 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -1.005 3.166 -9.310 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.680 0.807 -9.527 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.483 1.878 -9.183 1.00 0.00 C ATOM 0 H PHE A 98 1.992 1.863 -13.113 1.00 0.00 H new ATOM 0 HA PHE A 98 2.093 4.415 -11.642 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.940 1.590 -10.877 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.083 2.993 -9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.644 4.392 -9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.222 0.189 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.631 4.004 -9.041 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.053 -0.202 -9.429 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.484 1.707 -8.815 1.00 0.00 H new ATOM 1156 N CYS A 99 4.282 4.017 -13.515 1.00 0.00 N ATOM 1157 CA CYS A 99 5.642 4.282 -13.979 1.00 0.00 C ATOM 1158 C CYS A 99 6.018 5.740 -13.710 1.00 0.00 C ATOM 1159 O CYS A 99 6.189 6.536 -14.637 1.00 0.00 O ATOM 1160 CB CYS A 99 5.771 3.955 -15.472 1.00 0.00 C ATOM 1161 SG CYS A 99 7.462 4.041 -16.106 1.00 0.00 S ATOM 0 H CYS A 99 3.567 4.087 -14.239 1.00 0.00 H new ATOM 0 HA CYS A 99 6.331 3.641 -13.429 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.379 2.953 -15.648 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.147 4.646 -16.039 1.00 0.00 H new ATOM 0 HG CYS A 99 8.139 4.914 -15.420 1.00 0.00 H new ATOM 1167 N MET A 100 6.142 6.079 -12.427 1.00 0.00 N ATOM 1168 CA MET A 100 6.488 7.436 -12.014 1.00 0.00 C ATOM 1169 C MET A 100 7.098 7.438 -10.613 1.00 0.00 C ATOM 1170 O MET A 100 7.044 6.434 -9.900 1.00 0.00 O ATOM 1171 CB MET A 100 5.246 8.332 -12.048 1.00 0.00 C ATOM 1172 CG MET A 100 4.262 8.056 -10.918 1.00 0.00 C ATOM 1173 SD MET A 100 2.628 8.753 -11.227 1.00 0.00 S ATOM 1174 CE MET A 100 2.000 7.622 -12.465 1.00 0.00 C ATOM 0 H MET A 100 6.007 5.428 -11.654 1.00 0.00 H new ATOM 0 HA MET A 100 7.228 7.828 -12.712 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.559 9.375 -11.999 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.737 8.197 -13.002 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.172 6.979 -10.776 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.658 8.468 -9.989 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.642 8.187 -13.326 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.797 6.948 -12.780 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.179 7.042 -12.044 1.00 0.00 H new ATOM 1184 N SER A 101 7.668 8.577 -10.222 1.00 0.00 N ATOM 1185 CA SER A 101 8.290 8.711 -8.906 1.00 0.00 C ATOM 1186 C SER A 101 7.240 8.791 -7.801 1.00 0.00 C ATOM 1187 O SER A 101 6.070 9.085 -8.060 1.00 0.00 O ATOM 1188 CB SER A 101 9.198 9.943 -8.863 1.00 0.00 C ATOM 1189 OG SER A 101 10.288 9.806 -9.759 1.00 0.00 O ATOM 0 H SER A 101 7.712 9.419 -10.797 1.00 0.00 H new ATOM 0 HA SER A 101 8.895 7.821 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.622 10.832 -9.120 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.572 10.087 -7.850 1.00 0.00 H new ATOM 0 HG SER A 101 10.852 10.606 -9.713 1.00 0.00 H new ATOM 1195 N GLY A 102 7.669 8.522 -6.569 1.00 0.00 N ATOM 1196 CA GLY A 102 6.766 8.555 -5.429 1.00 0.00 C ATOM 1197 C GLY A 102 6.060 9.888 -5.275 1.00 0.00 C ATOM 1198 O GLY A 102 4.852 9.927 -5.034 1.00 0.00 O ATOM 0 H GLY A 102 8.633 8.280 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.022 7.766 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.328 8.340 -4.520 1.00 0.00 H new ATOM 1202 N ALA A 103 6.813 10.985 -5.410 1.00 0.00 N ATOM 1203 CA ALA A 103 6.247 12.329 -5.298 1.00 0.00 C ATOM 1204 C ALA A 103 5.056 12.498 -6.242 1.00 0.00 C ATOM 1205 O ALA A 103 4.058 13.129 -5.888 1.00 0.00 O ATOM 1206 CB ALA A 103 7.311 13.375 -5.595 1.00 0.00 C ATOM 0 H ALA A 103 7.816 10.966 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 103 5.894 12.468 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.876 14.371 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.130 13.273 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.690 13.231 -6.607 1.00 0.00 H new ATOM 1212 N ALA A 104 5.169 11.924 -7.443 1.00 0.00 N ATOM 1213 CA ALA A 104 4.101 11.994 -8.437 1.00 0.00 C ATOM 1214 C ALA A 104 2.931 11.100 -8.035 1.00 0.00 C ATOM 1215 O ALA A 104 1.771 11.502 -8.124 1.00 0.00 O ATOM 1216 CB ALA A 104 4.624 11.585 -9.806 1.00 0.00 C ATOM 0 H ALA A 104 5.992 11.405 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 104 3.749 13.024 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.817 11.642 -10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.430 12.256 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.001 10.563 -9.761 1.00 0.00 H new ATOM 1222 N LEU A 105 3.256 9.883 -7.593 1.00 0.00 N ATOM 1223 CA LEU A 105 2.254 8.909 -7.165 1.00 0.00 C ATOM 1224 C LEU A 105 1.360 9.483 -6.064 1.00 0.00 C ATOM 1225 O LEU A 105 0.135 9.369 -6.131 1.00 0.00 O ATOM 1226 CB LEU A 105 2.946 7.636 -6.670 1.00 0.00 C ATOM 1227 CG LEU A 105 2.050 6.403 -6.558 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.636 5.914 -7.938 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.765 5.300 -5.788 1.00 0.00 C ATOM 0 H LEU A 105 4.217 9.548 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 105 1.623 8.669 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.770 7.405 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.382 7.837 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 105 1.148 6.678 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.999 5.036 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.088 6.702 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.524 5.653 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.116 4.427 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.682 5.028 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.009 5.655 -4.787 1.00 0.00 H new ATOM 1241 N CYS A 106 1.979 10.096 -5.053 1.00 0.00 N ATOM 1242 CA CYS A 106 1.236 10.697 -3.945 1.00 0.00 C ATOM 1243 C CYS A 106 0.430 11.907 -4.424 1.00 0.00 C ATOM 1244 O CYS A 106 -0.700 12.123 -3.984 1.00 0.00 O ATOM 1245 CB CYS A 106 2.192 11.111 -2.823 1.00 0.00 C ATOM 1246 SG CYS A 106 1.370 11.809 -1.371 1.00 0.00 S ATOM 0 H CYS A 106 2.992 10.189 -4.979 1.00 0.00 H new ATOM 0 HA CYS A 106 0.541 9.951 -3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.772 10.241 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.898 11.843 -3.214 1.00 0.00 H new ATOM 0 HG CYS A 106 0.821 10.853 -0.682 1.00 0.00 H new ATOM 1252 N ALA A 107 1.024 12.691 -5.328 1.00 0.00 N ATOM 1253 CA ALA A 107 0.367 13.876 -5.882 1.00 0.00 C ATOM 1254 C ALA A 107 -0.874 13.507 -6.704 1.00 0.00 C ATOM 1255 O ALA A 107 -1.783 14.323 -6.860 1.00 0.00 O ATOM 1256 CB ALA A 107 1.345 14.668 -6.738 1.00 0.00 C ATOM 0 H ALA A 107 1.962 12.525 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 107 0.039 14.492 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.844 15.547 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.191 14.983 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.701 14.043 -7.557 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.905 12.276 -7.226 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.033 11.804 -8.032 1.00 0.00 C ATOM 1264 C LEU A 108 -3.307 11.651 -7.198 1.00 0.00 C ATOM 1265 O LEU A 108 -4.414 11.824 -7.713 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.691 10.467 -8.699 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.785 10.557 -9.929 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.503 9.170 -10.483 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.418 11.438 -11.000 1.00 0.00 C ATOM 0 H LEU A 108 -0.161 11.589 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.219 12.557 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.210 9.825 -7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.621 9.977 -8.989 1.00 0.00 H new ATOM 0 HG LEU A 108 0.159 11.009 -9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.143 9.252 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.008 8.568 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.441 8.694 -10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.758 11.489 -11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.377 11.015 -11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.572 12.441 -10.602 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.149 11.333 -5.910 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.298 11.153 -5.038 1.00 0.00 C ATOM 1283 C GLY A 109 -4.978 9.809 -5.237 1.00 0.00 C ATOM 1284 O GLY A 109 -4.621 9.053 -6.143 1.00 0.00 O ATOM 0 H GLY A 109 -2.245 11.198 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.979 11.244 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.018 11.951 -5.222 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.957 9.511 -4.383 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.700 8.251 -4.460 1.00 0.00 C ATOM 1290 C LYS A 110 -7.394 8.098 -5.815 1.00 0.00 C ATOM 1291 O LYS A 110 -7.320 7.038 -6.436 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.732 8.171 -3.331 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.520 6.869 -3.315 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.394 6.759 -2.077 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.534 7.766 -2.101 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.380 7.679 -0.878 1.00 0.00 N ATOM 0 H LYS A 110 -6.256 10.127 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.986 7.435 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.222 8.289 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.427 9.005 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.143 6.809 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.831 6.025 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.801 5.750 -2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.786 6.919 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.127 8.773 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.152 7.594 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.145 8.382 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.790 6.726 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.797 7.869 -0.038 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.070 9.159 -6.260 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.779 9.158 -7.542 1.00 0.00 C ATOM 1312 C GLU A 111 -7.903 8.626 -8.678 1.00 0.00 C ATOM 1313 O GLU A 111 -8.198 7.581 -9.258 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.255 10.576 -7.873 1.00 0.00 C ATOM 1315 CG GLU A 111 -9.850 10.715 -9.265 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.313 12.128 -9.566 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -11.482 12.446 -9.265 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.506 12.914 -10.104 1.00 0.00 O ATOM 0 H GLU A 111 -8.142 10.037 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.637 8.492 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.000 10.880 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.414 11.263 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.107 10.415 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.693 10.032 -9.365 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.826 9.349 -8.988 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.920 8.956 -10.066 1.00 0.00 C ATOM 1327 C CYS A 112 -5.281 7.591 -9.805 1.00 0.00 C ATOM 1328 O CYS A 112 -5.154 6.780 -10.723 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.834 10.016 -10.258 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.455 11.609 -10.845 1.00 0.00 S ATOM 0 H CYS A 112 -6.561 10.209 -8.508 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.512 8.875 -10.978 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.316 10.166 -9.311 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.097 9.641 -10.968 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.464 12.440 -10.975 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.888 7.334 -8.553 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.261 6.064 -8.191 1.00 0.00 C ATOM 1338 C PHE A 113 -5.194 4.885 -8.474 1.00 0.00 C ATOM 1339 O PHE A 113 -4.775 3.882 -9.057 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.863 6.071 -6.714 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.946 4.943 -6.336 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.456 3.699 -6.006 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.574 5.129 -6.312 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.615 2.660 -5.659 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.727 4.094 -5.967 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.249 2.858 -5.640 1.00 0.00 C ATOM 0 H PHE A 113 -4.994 7.988 -7.777 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.367 5.946 -8.803 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.376 7.018 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.764 6.017 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.524 3.539 -6.020 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.162 6.094 -6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.025 1.694 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.341 4.251 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.589 2.047 -5.370 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.455 5.010 -8.056 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.447 3.957 -8.275 1.00 0.00 C ATOM 1358 C LEU A 114 -7.717 3.766 -9.768 1.00 0.00 C ATOM 1359 O LEU A 114 -8.084 2.675 -10.201 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.747 4.273 -7.528 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.844 3.695 -6.111 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.635 4.096 -5.276 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.131 4.151 -5.439 1.00 0.00 C ATOM 0 H LEU A 114 -6.813 5.829 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.043 3.025 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.860 5.356 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.585 3.896 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.857 2.608 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.728 3.674 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.727 3.719 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.584 5.183 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.185 3.732 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.145 5.239 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.987 3.808 -6.021 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.550 4.835 -10.551 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.741 4.765 -12.000 1.00 0.00 C ATOM 1377 C GLU A 115 -6.580 4.014 -12.670 1.00 0.00 C ATOM 1378 O GLU A 115 -6.719 3.520 -13.790 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.859 6.172 -12.591 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.145 6.891 -12.207 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.191 8.318 -12.717 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -8.673 9.215 -12.020 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -9.745 8.539 -13.814 1.00 0.00 O ATOM 0 H GLU A 115 -7.283 5.757 -10.206 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.665 4.219 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.008 6.768 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.800 6.106 -13.677 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.997 6.340 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.245 6.894 -11.122 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.438 3.935 -11.974 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.249 3.250 -12.492 1.00 0.00 C ATOM 1392 C LEU A 116 -4.265 1.754 -12.161 1.00 0.00 C ATOM 1393 O LEU A 116 -3.807 0.934 -12.959 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.982 3.881 -11.905 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.774 5.362 -12.228 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.644 5.937 -11.390 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.488 5.552 -13.709 1.00 0.00 C ATOM 0 H LEU A 116 -5.314 4.340 -11.046 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.256 3.361 -13.576 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.007 3.763 -10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.118 3.323 -12.267 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.691 5.898 -11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.511 6.991 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.888 5.837 -10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.722 5.396 -11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.343 6.612 -13.919 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.586 5.002 -13.979 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.329 5.178 -14.293 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.791 1.407 -10.984 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.846 0.011 -10.544 1.00 0.00 C ATOM 1411 C ALA A 117 -6.281 -0.511 -10.489 1.00 0.00 C ATOM 1412 O ALA A 117 -7.230 0.271 -10.430 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.182 -0.132 -9.183 1.00 0.00 C ATOM 0 H ALA A 117 -5.185 2.073 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.306 -0.590 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.227 -1.173 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.140 0.181 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.702 0.493 -8.457 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.460 -1.851 -10.518 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.789 -2.475 -10.464 1.00 0.00 C ATOM 1421 C PRO A 118 -8.603 -2.058 -9.233 1.00 0.00 C ATOM 1422 O PRO A 118 -8.102 -1.390 -8.326 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.499 -3.984 -10.435 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.043 -4.115 -10.143 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.392 -2.854 -10.639 1.00 0.00 C ATOM 0 HA PRO A 118 -8.398 -2.166 -11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -8.097 -4.482 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.749 -4.448 -11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.872 -4.245 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.625 -4.989 -10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.521 -2.588 -10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.051 -2.956 -11.669 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.867 -2.479 -9.227 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.816 -2.167 -8.154 1.00 0.00 C ATOM 1435 C ASP A 119 -10.400 -2.697 -6.773 1.00 0.00 C ATOM 1436 O ASP A 119 -10.904 -2.210 -5.759 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.191 -2.742 -8.517 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.279 -2.315 -7.549 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.761 -1.168 -7.664 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.650 -3.127 -6.675 1.00 0.00 O ATOM 0 H ASP A 119 -10.266 -3.051 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.841 -1.080 -8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.460 -2.422 -9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.132 -3.830 -8.534 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.489 -3.677 -6.715 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.103 -4.233 -5.412 1.00 0.00 C ATOM 1447 C PHE A 120 -7.688 -3.838 -4.976 1.00 0.00 C ATOM 1448 O PHE A 120 -7.500 -3.364 -3.854 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.301 -5.755 -5.361 1.00 0.00 C ATOM 1450 CG PHE A 120 -8.761 -6.495 -6.555 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -9.487 -6.557 -7.735 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -7.535 -7.137 -6.494 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -9.000 -7.243 -8.830 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -7.042 -7.824 -7.586 1.00 0.00 C ATOM 1455 CZ PHE A 120 -7.776 -7.877 -8.756 1.00 0.00 C ATOM 0 H PHE A 120 -9.021 -4.089 -7.522 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.780 -3.781 -4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.820 -6.141 -4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.366 -5.967 -5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.445 -6.063 -7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.958 -7.100 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.576 -7.283 -9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -6.084 -8.319 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.392 -8.414 -9.611 1.00 0.00 H new ATOM 1465 N VAL A 121 -6.697 -4.028 -5.851 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.309 -3.689 -5.509 1.00 0.00 C ATOM 1467 C VAL A 121 -5.145 -2.188 -5.246 1.00 0.00 C ATOM 1468 O VAL A 121 -4.343 -1.788 -4.403 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.303 -4.126 -6.602 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -4.602 -5.536 -7.092 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.292 -3.140 -7.756 1.00 0.00 C ATOM 0 H VAL A 121 -6.824 -4.409 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.086 -4.243 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.308 -4.133 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.880 -5.816 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.533 -6.234 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.608 -5.570 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.577 -3.470 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.287 -3.086 -8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.004 -2.155 -7.390 1.00 0.00 H new ATOM 1481 N GLY A 122 -5.909 -1.366 -5.976 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.838 0.078 -5.806 1.00 0.00 C ATOM 1483 C GLY A 122 -6.056 0.513 -4.366 1.00 0.00 C ATOM 1484 O GLY A 122 -5.387 1.429 -3.884 1.00 0.00 O ATOM 0 H GLY A 122 -6.575 -1.679 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.864 0.432 -6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.587 0.551 -6.441 1.00 0.00 H new ATOM 1488 N ASP A 123 -6.992 -0.147 -3.680 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.294 0.170 -2.286 1.00 0.00 C ATOM 1490 C ASP A 123 -6.131 -0.217 -1.374 1.00 0.00 C ATOM 1491 O ASP A 123 -5.703 0.573 -0.536 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.565 -0.556 -1.837 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.034 -0.107 -0.465 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -8.600 -0.711 0.539 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -9.833 0.850 -0.395 1.00 0.00 O ATOM 0 H ASP A 123 -7.553 -0.905 -4.069 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.451 1.246 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.357 -0.379 -2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.380 -1.630 -1.821 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.627 -1.439 -1.546 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.514 -1.940 -0.738 1.00 0.00 C ATOM 1502 C ILE A 124 -3.292 -1.034 -0.849 1.00 0.00 C ATOM 1503 O ILE A 124 -2.767 -0.556 0.158 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.097 -3.364 -1.169 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.283 -4.326 -1.087 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -2.944 -3.864 -0.310 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -4.948 -5.727 -1.549 1.00 0.00 C ATOM 0 H ILE A 124 -5.973 -2.102 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.868 -1.957 0.293 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.764 -3.322 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.640 -4.366 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.101 -3.936 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.663 -4.868 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.090 -3.196 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.252 -3.886 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.832 -6.359 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.619 -5.699 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.151 -6.134 -0.927 1.00 0.00 H new ATOM 1519 N LEU A 125 -2.848 -0.811 -2.084 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.672 0.014 -2.351 1.00 0.00 C ATOM 1521 C LEU A 125 -1.820 1.430 -1.790 1.00 0.00 C ATOM 1522 O LEU A 125 -1.027 1.838 -0.948 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.384 0.066 -3.855 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.085 -1.282 -4.514 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -0.910 -1.115 -6.017 1.00 0.00 C ATOM 1526 CD2 LEU A 125 0.152 -1.917 -3.899 1.00 0.00 C ATOM 0 H LEU A 125 -3.288 -1.193 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 125 -0.829 -0.452 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.242 0.514 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.535 0.729 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.933 -1.945 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.698 -2.084 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.825 -0.707 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.082 -0.434 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.347 -2.875 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.008 -1.258 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.012 -2.075 -2.833 1.00 0.00 H new ATOM 1538 N TRP A 126 -2.834 2.172 -2.241 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.032 3.547 -1.771 1.00 0.00 C ATOM 1540 C TRP A 126 -3.285 3.610 -0.256 1.00 0.00 C ATOM 1541 O TRP A 126 -2.951 4.614 0.374 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.157 4.249 -2.555 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.022 5.141 -1.709 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.931 6.496 -1.584 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.097 4.732 -0.856 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.883 6.956 -0.706 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.612 5.890 -0.245 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.675 3.498 -0.551 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.675 5.848 0.654 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.728 3.456 0.341 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.219 4.624 0.934 1.00 0.00 C ATOM 0 H TRP A 126 -3.523 1.851 -2.922 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.104 4.086 -1.962 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.714 4.842 -3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.784 3.493 -3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.214 7.118 -2.100 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.024 7.931 -0.441 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.304 2.591 -1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.056 6.748 1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.180 2.506 0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.045 4.558 1.627 1.00 0.00 H new ATOM 1562 N GLU A 127 -3.860 2.561 0.333 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.109 2.560 1.776 1.00 0.00 C ATOM 1564 C GLU A 127 -2.786 2.476 2.537 1.00 0.00 C ATOM 1565 O GLU A 127 -2.514 3.298 3.415 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.035 1.411 2.182 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.545 1.518 3.613 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.340 2.788 3.857 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.567 2.774 3.622 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.736 3.797 4.278 1.00 0.00 O ATOM 0 H GLU A 127 -4.157 1.716 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.608 3.494 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.887 1.384 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.503 0.467 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.170 0.654 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.699 1.486 4.299 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.965 1.481 2.191 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.656 1.308 2.823 1.00 0.00 C ATOM 1579 C HIS A 128 0.268 2.465 2.432 1.00 0.00 C ATOM 1580 O HIS A 128 1.100 2.907 3.225 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.040 -0.032 2.407 1.00 0.00 C ATOM 1582 CG HIS A 128 1.262 -0.344 3.082 1.00 0.00 C ATOM 1583 ND1 HIS A 128 1.757 0.039 4.284 1.00 0.00 N flip ATOM 1584 CD2 HIS A 128 2.228 -1.148 2.513 1.00 0.00 C flip ATOM 1585 CE1 HIS A 128 2.998 -0.534 4.414 1.00 0.00 C flip ATOM 1586 NE2 HIS A 128 3.257 -1.245 3.333 1.00 0.00 N flip ATOM 0 H HIS A 128 -2.184 0.785 1.478 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.782 1.309 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.750 -0.829 2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.114 -0.029 1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 128 2.153 -1.624 1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 128 3.656 -0.421 5.263 1.00 0.00 H new ATOM 0 HE2 HIS A 128 4.109 -1.779 3.161 1.00 0.00 H new ATOM 1595 N LEU A 129 0.105 2.946 1.196 1.00 0.00 N ATOM 1596 CA LEU A 129 0.889 4.066 0.686 1.00 0.00 C ATOM 1597 C LEU A 129 0.577 5.329 1.487 1.00 0.00 C ATOM 1598 O LEU A 129 1.472 6.120 1.790 1.00 0.00 O ATOM 1599 CB LEU A 129 0.575 4.297 -0.796 1.00 0.00 C ATOM 1600 CG LEU A 129 1.491 5.286 -1.521 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.909 4.742 -1.602 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.949 5.585 -2.911 1.00 0.00 C ATOM 0 H LEU A 129 -0.569 2.571 0.529 1.00 0.00 H new ATOM 0 HA LEU A 129 1.948 3.831 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.624 3.339 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.452 4.652 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 129 1.517 6.216 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.545 5.459 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.294 4.578 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.906 3.799 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.610 6.290 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.896 4.661 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.048 6.019 -2.827 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.704 5.503 1.828 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.142 6.658 2.607 1.00 0.00 C ATOM 1616 C GLU A 130 -0.571 6.586 4.024 1.00 0.00 C ATOM 1617 O GLU A 130 -0.349 7.612 4.668 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.672 6.721 2.649 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.221 7.996 3.265 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.733 7.980 3.377 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.405 8.369 2.398 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.246 7.575 4.442 1.00 0.00 O ATOM 0 H GLU A 130 -1.452 4.858 1.576 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.772 7.565 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.057 6.625 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.045 5.867 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.788 8.133 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.913 8.850 2.661 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.345 5.360 4.503 1.00 0.00 N ATOM 1630 CA ILE A 131 0.225 5.136 5.827 1.00 0.00 C ATOM 1631 C ILE A 131 1.683 5.609 5.873 1.00 0.00 C ATOM 1632 O ILE A 131 2.147 6.124 6.892 1.00 0.00 O ATOM 1633 CB ILE A 131 0.145 3.638 6.211 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.290 3.266 6.594 1.00 0.00 C ATOM 1635 CG2 ILE A 131 1.107 3.307 7.342 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.515 1.773 6.720 1.00 0.00 C ATOM 0 H ILE A 131 -0.551 4.505 3.987 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.356 5.713 6.546 1.00 0.00 H new ATOM 0 HB ILE A 131 0.440 3.048 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.540 3.744 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -1.973 3.666 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.028 2.248 7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 131 2.127 3.531 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.857 3.904 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.553 1.583 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.297 1.290 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -0.857 1.370 7.490 1.00 0.00 H new ATOM 1648 N LEU A 132 2.394 5.427 4.758 1.00 0.00 N ATOM 1649 CA LEU A 132 3.793 5.840 4.651 1.00 0.00 C ATOM 1650 C LEU A 132 3.932 7.368 4.658 1.00 0.00 C ATOM 1651 O LEU A 132 4.844 7.908 5.286 1.00 0.00 O ATOM 1652 CB LEU A 132 4.413 5.269 3.371 1.00 0.00 C ATOM 1653 CG LEU A 132 4.466 3.740 3.293 1.00 0.00 C ATOM 1654 CD1 LEU A 132 5.030 3.295 1.952 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.298 3.173 4.437 1.00 0.00 C ATOM 0 H LEU A 132 2.021 4.994 3.913 1.00 0.00 H new ATOM 0 HA LEU A 132 4.322 5.449 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.847 5.640 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.427 5.656 3.274 1.00 0.00 H new ATOM 0 HG LEU A 132 3.450 3.356 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.061 2.206 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.396 3.669 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 132 6.038 3.691 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.324 2.086 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.313 3.565 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.853 3.462 5.389 1.00 0.00 H new ATOM 1667 N GLN A 133 3.027 8.058 3.954 1.00 0.00 N ATOM 1668 CA GLN A 133 3.056 9.524 3.883 1.00 0.00 C ATOM 1669 C GLN A 133 2.710 10.165 5.227 1.00 0.00 C ATOM 1670 O GLN A 133 3.409 11.069 5.681 1.00 0.00 O ATOM 1671 CB GLN A 133 2.111 10.049 2.791 1.00 0.00 C ATOM 1672 CG GLN A 133 0.692 9.512 2.868 1.00 0.00 C ATOM 1673 CD GLN A 133 -0.182 10.015 1.736 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.177 9.297 0.617 1.00 0.00 O flip ATOM 1675 NE2 GLN A 133 -0.851 11.040 1.863 1.00 0.00 N flip ATOM 0 H GLN A 133 2.268 7.627 3.427 1.00 0.00 H new ATOM 0 HA GLN A 133 4.077 9.806 3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 133 2.077 11.137 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.528 9.796 1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 133 0.718 8.423 2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 133 0.249 9.801 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -0.825 11.561 2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.431 11.369 1.091 1.00 0.00 H new ATOM 1684 N LYS A 134 1.634 9.692 5.861 1.00 0.00 N ATOM 1685 CA LYS A 134 1.204 10.229 7.157 1.00 0.00 C ATOM 1686 C LYS A 134 2.302 10.096 8.220 1.00 0.00 C ATOM 1687 O LYS A 134 2.290 10.814 9.220 1.00 0.00 O ATOM 1688 CB LYS A 134 -0.070 9.524 7.633 1.00 0.00 C ATOM 1689 CG LYS A 134 0.095 8.025 7.818 1.00 0.00 C ATOM 1690 CD LYS A 134 -1.157 7.388 8.404 1.00 0.00 C ATOM 1691 CE LYS A 134 -2.330 7.454 7.438 1.00 0.00 C ATOM 1692 NZ LYS A 134 -3.551 6.815 8.002 1.00 0.00 N ATOM 0 H LYS A 134 1.046 8.941 5.500 1.00 0.00 H new ATOM 0 HA LYS A 134 0.998 11.290 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -0.387 9.965 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.867 9.707 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 134 0.323 7.563 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 134 0.943 7.831 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -0.952 6.348 8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -1.422 7.894 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.544 8.495 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.060 6.960 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -4.327 6.881 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -3.355 5.815 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -3.824 7.302 8.879 1.00 0.00 H new ATOM 1706 N GLU A 135 3.243 9.171 8.001 1.00 0.00 N ATOM 1707 CA GLU A 135 4.349 8.952 8.934 1.00 0.00 C ATOM 1708 C GLU A 135 5.100 10.254 9.222 1.00 0.00 C ATOM 1709 O GLU A 135 5.459 10.531 10.367 1.00 0.00 O ATOM 1710 CB GLU A 135 5.315 7.908 8.365 1.00 0.00 C ATOM 1711 CG GLU A 135 6.385 7.459 9.347 1.00 0.00 C ATOM 1712 CD GLU A 135 7.333 6.441 8.745 1.00 0.00 C ATOM 1713 OE1 GLU A 135 6.913 5.280 8.552 1.00 0.00 O ATOM 1714 OE2 GLU A 135 8.495 6.804 8.463 1.00 0.00 O ATOM 0 H GLU A 135 3.259 8.562 7.183 1.00 0.00 H new ATOM 0 HA GLU A 135 3.931 8.587 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.744 7.037 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 135 5.798 8.319 7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 135 6.953 8.327 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 135 5.908 7.030 10.228 1.00 0.00 H new ATOM 1721 N ASP A 136 5.331 11.047 8.175 1.00 0.00 N ATOM 1722 CA ASP A 136 6.041 12.317 8.306 1.00 0.00 C ATOM 1723 C ASP A 136 5.306 13.439 7.563 1.00 0.00 C ATOM 1724 O ASP A 136 4.180 13.252 7.098 1.00 0.00 O ATOM 1725 CB ASP A 136 7.474 12.173 7.782 1.00 0.00 C ATOM 1726 CG ASP A 136 7.524 11.647 6.358 1.00 0.00 C ATOM 1727 OD1 ASP A 136 7.448 12.467 5.420 1.00 0.00 O ATOM 1728 OD2 ASP A 136 7.637 10.416 6.184 1.00 0.00 O ATOM 0 H ASP A 136 5.035 10.830 7.224 1.00 0.00 H new ATOM 0 HA ASP A 136 6.076 12.584 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.972 13.142 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 136 8.030 11.499 8.434 1.00 0.00 H new ATOM 1733 N VAL A 137 5.945 14.605 7.460 1.00 0.00 N ATOM 1734 CA VAL A 137 5.349 15.750 6.773 1.00 0.00 C ATOM 1735 C VAL A 137 5.815 15.829 5.318 1.00 0.00 C ATOM 1736 O VAL A 137 4.995 15.847 4.399 1.00 0.00 O ATOM 1737 CB VAL A 137 5.685 17.076 7.493 1.00 0.00 C ATOM 1738 CG1 VAL A 137 5.049 18.260 6.776 1.00 0.00 C ATOM 1739 CG2 VAL A 137 5.235 17.026 8.945 1.00 0.00 C ATOM 0 H VAL A 137 6.874 14.781 7.843 1.00 0.00 H new ATOM 0 HA VAL A 137 4.269 15.603 6.791 1.00 0.00 H new ATOM 0 HB VAL A 137 6.767 17.208 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.300 19.181 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 137 5.425 18.311 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.966 18.136 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.480 17.968 9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.158 16.865 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.744 16.209 9.456 1.00 0.00 H new ATOM 1749 N LYS A 138 7.132 15.872 5.119 1.00 0.00 N ATOM 1750 CA LYS A 138 7.704 15.956 3.776 1.00 0.00 C ATOM 1751 C LYS A 138 8.020 14.563 3.228 1.00 0.00 C ATOM 1752 O LYS A 138 7.175 14.022 2.483 1.00 0.00 O ATOM 1753 CB LYS A 138 8.968 16.827 3.786 1.00 0.00 C ATOM 1754 CG LYS A 138 8.723 18.263 4.231 1.00 0.00 C ATOM 1755 CD LYS A 138 7.809 19.008 3.267 1.00 0.00 C ATOM 1756 CE LYS A 138 8.473 19.221 1.914 1.00 0.00 C ATOM 1757 NZ LYS A 138 7.580 19.935 0.959 1.00 0.00 N ATOM 1758 OXT LYS A 138 9.100 14.023 3.548 1.00 0.00 O ATOM 0 H LYS A 138 7.822 15.850 5.870 1.00 0.00 H new ATOM 0 HA LYS A 138 6.966 16.419 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.706 16.373 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 138 9.400 16.835 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 138 8.279 18.264 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.676 18.787 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 138 6.884 18.446 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 138 7.537 19.973 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 138 9.392 19.792 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 138 8.756 18.256 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 8.071 20.059 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.714 19.378 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.330 20.867 1.348 1.00 0.00 H new TER 1772 LYS A 138