USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot -169:sc= 0.0535 USER MOD Set 1.2: A 78 THR OG1 : rot 141:sc= 1.6 USER MOD Set 1.3: A 110 HEC O2D : rot -168:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.326 (180deg=0.00954) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0.0758 (180deg=0.0617) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00679) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0676 K(o=-0.068,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.8!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00307 X(o=-0.0031,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 115:sc= 1.64 USER MOD Single : A 42 GLN : amide:sc= -0.0933 X(o=-0.093,f=-0.41) USER MOD Single : A 47 THR OG1 : rot 39:sc= 0.194 USER MOD Single : A 48 TYR OH : rot 16:sc= 1.3 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.352 F(o=-1.3,f=-0.35) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -112:sc= 1.21 (180deg=-0.956) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00691 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.627) USER MOD Single : A 63 THR OG1 : rot -159:sc= 0.73 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.37) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.724 (180deg=-1.83) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00064 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0.409 (180deg=0.0797) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.4!) USER MOD Single : A 110 HEC O2A : rot 177:sc= -0.168 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.380 -4.375 -15.212 1.00 10.00 N ATOM 2 CA GLY A 1 -3.959 -4.118 -15.128 1.00 10.00 C ATOM 3 C GLY A 1 -3.326 -5.487 -15.339 1.00 10.00 C ATOM 4 O GLY A 1 -4.023 -6.489 -15.182 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.741 -4.034 -16.126 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.553 -5.397 -15.131 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.869 -3.879 -14.440 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.636 -3.407 -15.888 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.686 -3.696 -14.161 1.00 10.00 H new ATOM 10 N ASP A 2 -2.100 -5.525 -15.803 1.00 10.00 N ATOM 11 CA ASP A 2 -1.336 -6.751 -15.971 1.00 10.00 C ATOM 12 C ASP A 2 -0.914 -7.317 -14.615 1.00 10.00 C ATOM 13 O ASP A 2 -0.159 -6.682 -13.881 1.00 10.00 O ATOM 14 CB ASP A 2 -0.065 -6.527 -16.786 1.00 10.00 C ATOM 15 CG ASP A 2 0.630 -7.859 -17.039 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.023 -8.916 -16.753 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.821 -7.806 -17.401 1.00 10.00 O ATOM 0 H ASP A 2 -1.588 -4.688 -16.083 1.00 10.00 H new ATOM 0 HA ASP A 2 -1.991 -7.446 -16.497 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.310 -6.049 -17.734 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.605 -5.853 -16.253 1.00 10.00 H new ATOM 22 N VAL A 3 -1.340 -8.538 -14.304 1.00 10.00 N ATOM 23 CA VAL A 3 -0.852 -9.273 -13.149 1.00 10.00 C ATOM 24 C VAL A 3 0.655 -9.526 -13.258 1.00 10.00 C ATOM 25 O VAL A 3 1.364 -9.413 -12.257 1.00 10.00 O ATOM 26 CB VAL A 3 -1.665 -10.575 -13.005 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.105 -11.503 -11.920 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.127 -10.255 -12.665 1.00 10.00 C ATOM 0 H VAL A 3 -2.036 -9.045 -14.851 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.993 -8.682 -12.244 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.596 -11.089 -13.964 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.715 -12.404 -11.861 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.079 -11.775 -12.168 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.122 -10.990 -10.958 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.689 -11.184 -12.566 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.170 -9.703 -11.726 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.562 -9.651 -13.461 1.00 10.00 H new ATOM 38 N GLU A 4 1.159 -9.873 -14.446 1.00 10.00 N ATOM 39 CA GLU A 4 2.570 -10.199 -14.596 1.00 10.00 C ATOM 40 C GLU A 4 3.412 -8.963 -14.309 1.00 10.00 C ATOM 41 O GLU A 4 4.217 -8.950 -13.376 1.00 10.00 O ATOM 42 CB GLU A 4 2.862 -10.751 -15.996 1.00 10.00 C ATOM 43 CG GLU A 4 2.770 -12.283 -16.013 1.00 10.00 C ATOM 44 CD GLU A 4 4.002 -12.917 -15.370 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.051 -12.920 -16.048 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.891 -13.352 -14.201 1.00 10.00 O ATOM 0 H GLU A 4 0.614 -9.934 -15.306 1.00 10.00 H new ATOM 0 HA GLU A 4 2.830 -10.978 -13.879 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.154 -10.333 -16.711 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.857 -10.439 -16.314 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.874 -12.602 -15.481 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.672 -12.633 -17.041 1.00 10.00 H new ATOM 53 N LYS A 5 3.223 -7.903 -15.094 1.00 10.00 N ATOM 54 CA LYS A 5 3.938 -6.673 -14.860 1.00 10.00 C ATOM 55 C LYS A 5 3.667 -6.203 -13.442 1.00 10.00 C ATOM 56 O LYS A 5 4.616 -5.847 -12.764 1.00 10.00 O ATOM 57 CB LYS A 5 3.664 -5.594 -15.908 1.00 10.00 C ATOM 58 CG LYS A 5 4.409 -5.843 -17.228 1.00 10.00 C ATOM 59 CD LYS A 5 4.930 -4.517 -17.807 1.00 10.00 C ATOM 60 CE LYS A 5 6.242 -4.077 -17.129 1.00 10.00 C ATOM 61 NZ LYS A 5 6.567 -2.649 -17.382 1.00 10.00 N ATOM 0 H LYS A 5 2.584 -7.882 -15.889 1.00 10.00 H new ATOM 0 HA LYS A 5 5.004 -6.875 -14.968 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.593 -5.548 -16.104 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.957 -4.623 -15.508 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.242 -6.526 -17.060 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.742 -6.323 -17.944 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.093 -4.627 -18.879 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.175 -3.741 -17.677 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.164 -4.243 -16.055 1.00 10.00 H new ATOM 0 HE3 LYS A 5 7.060 -4.701 -17.490 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.533 -2.449 -17.052 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.503 -2.454 -18.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.894 -2.044 -16.870 1.00 10.00 H new ATOM 75 N GLY A 6 2.429 -6.270 -12.953 1.00 10.00 N ATOM 76 CA GLY A 6 2.114 -5.949 -11.572 1.00 10.00 C ATOM 77 C GLY A 6 3.054 -6.625 -10.569 1.00 10.00 C ATOM 78 O GLY A 6 3.563 -5.981 -9.645 1.00 10.00 O ATOM 0 H GLY A 6 1.620 -6.549 -13.508 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.163 -4.869 -11.436 1.00 10.00 H new ATOM 0 HA3 GLY A 6 1.088 -6.251 -11.360 1.00 10.00 H new ATOM 82 N LYS A 7 3.297 -7.927 -10.757 1.00 10.00 N ATOM 83 CA LYS A 7 4.147 -8.723 -9.901 1.00 10.00 C ATOM 84 C LYS A 7 5.530 -8.099 -9.905 1.00 10.00 C ATOM 85 O LYS A 7 6.105 -7.811 -8.855 1.00 10.00 O ATOM 86 CB LYS A 7 4.140 -10.177 -10.405 1.00 10.00 C ATOM 87 CG LYS A 7 4.926 -11.142 -9.514 1.00 10.00 C ATOM 88 CD LYS A 7 4.946 -12.538 -10.160 1.00 10.00 C ATOM 89 CE LYS A 7 4.770 -13.639 -9.104 1.00 10.00 C ATOM 90 NZ LYS A 7 4.856 -14.991 -9.698 1.00 10.00 N ATOM 0 H LYS A 7 2.893 -8.457 -11.529 1.00 10.00 H new ATOM 0 HA LYS A 7 3.791 -8.742 -8.871 1.00 10.00 H new ATOM 0 HB2 LYS A 7 3.109 -10.522 -10.477 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.557 -10.205 -11.412 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.944 -10.779 -9.377 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.470 -11.194 -8.525 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.150 -12.610 -10.901 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.888 -12.684 -10.688 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.535 -13.531 -8.335 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.805 -13.519 -8.612 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.732 -15.706 -8.953 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.110 -15.104 -10.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.787 -15.115 -10.146 1.00 10.00 H new ATOM 104 N LYS A 8 6.075 -7.889 -11.103 1.00 10.00 N ATOM 105 CA LYS A 8 7.425 -7.377 -11.201 1.00 10.00 C ATOM 106 C LYS A 8 7.508 -5.927 -10.707 1.00 10.00 C ATOM 107 O LYS A 8 8.481 -5.557 -10.064 1.00 10.00 O ATOM 108 CB LYS A 8 8.020 -7.568 -12.600 1.00 10.00 C ATOM 109 CG LYS A 8 7.638 -8.890 -13.286 1.00 10.00 C ATOM 110 CD LYS A 8 7.752 -10.182 -12.457 1.00 10.00 C ATOM 111 CE LYS A 8 9.196 -10.666 -12.237 1.00 10.00 C ATOM 112 NZ LYS A 8 9.776 -10.185 -10.965 1.00 10.00 N ATOM 0 H LYS A 8 5.610 -8.063 -11.994 1.00 10.00 H new ATOM 0 HA LYS A 8 8.050 -7.972 -10.534 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.699 -6.740 -13.232 1.00 10.00 H new ATOM 0 HB3 LYS A 8 9.106 -7.512 -12.529 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.608 -8.803 -13.633 1.00 10.00 H new ATOM 0 HG3 LYS A 8 8.264 -9.002 -14.171 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.283 -10.020 -11.486 1.00 10.00 H new ATOM 0 HD3 LYS A 8 7.188 -10.971 -12.955 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.215 -11.756 -12.250 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.818 -10.327 -13.065 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.736 -10.569 -10.854 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 9.817 -9.146 -10.973 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 9.183 -10.501 -10.171 1.00 10.00 H new ATOM 126 N ILE A 9 6.490 -5.109 -10.972 1.00 10.00 N ATOM 127 CA ILE A 9 6.400 -3.731 -10.534 1.00 10.00 C ATOM 128 C ILE A 9 6.545 -3.707 -9.022 1.00 10.00 C ATOM 129 O ILE A 9 7.458 -3.056 -8.528 1.00 10.00 O ATOM 130 CB ILE A 9 5.084 -3.098 -11.026 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.160 -2.806 -12.535 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.754 -1.789 -10.304 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.782 -2.457 -13.105 1.00 10.00 C ATOM 0 H ILE A 9 5.681 -5.405 -11.517 1.00 10.00 H new ATOM 0 HA ILE A 9 7.200 -3.128 -10.963 1.00 10.00 H new ATOM 0 HB ILE A 9 4.299 -3.822 -10.809 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.849 -1.981 -12.713 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.562 -3.675 -13.056 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.817 -1.387 -10.690 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.655 -1.978 -9.235 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.555 -1.069 -10.472 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.870 -2.256 -14.173 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.101 -3.293 -12.948 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.393 -1.573 -12.600 1.00 10.00 H new ATOM 145 N PHE A 10 5.691 -4.431 -8.293 1.00 10.00 N ATOM 146 CA PHE A 10 5.789 -4.509 -6.838 1.00 10.00 C ATOM 147 C PHE A 10 7.239 -4.773 -6.400 1.00 10.00 C ATOM 148 O PHE A 10 7.781 -4.076 -5.537 1.00 10.00 O ATOM 149 CB PHE A 10 4.839 -5.598 -6.329 1.00 10.00 C ATOM 150 CG PHE A 10 4.833 -5.733 -4.822 1.00 10.00 C ATOM 151 CD1 PHE A 10 4.128 -4.801 -4.038 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.600 -6.736 -4.199 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.117 -4.925 -2.639 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.617 -6.837 -2.798 1.00 10.00 C ATOM 155 CZ PHE A 10 4.828 -5.970 -2.026 1.00 10.00 C ATOM 0 H PHE A 10 4.923 -4.972 -8.691 1.00 10.00 H new ATOM 0 HA PHE A 10 5.494 -3.555 -6.401 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.828 -5.377 -6.671 1.00 10.00 H new ATOM 0 HB3 PHE A 10 5.123 -6.553 -6.771 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.595 -3.990 -4.512 1.00 10.00 H new ATOM 0 HD2 PHE A 10 6.175 -7.427 -4.798 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.564 -4.219 -2.037 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.235 -7.580 -2.316 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.767 -6.107 -0.956 1.00 10.00 H new ATOM 165 N VAL A 11 7.871 -5.755 -7.054 1.00 10.00 N ATOM 166 CA VAL A 11 9.245 -6.178 -6.804 1.00 10.00 C ATOM 167 C VAL A 11 10.273 -5.093 -7.173 1.00 10.00 C ATOM 168 O VAL A 11 11.351 -5.030 -6.588 1.00 10.00 O ATOM 169 CB VAL A 11 9.512 -7.502 -7.539 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.970 -7.962 -7.406 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.605 -8.606 -6.986 1.00 10.00 C ATOM 0 H VAL A 11 7.421 -6.292 -7.795 1.00 10.00 H new ATOM 0 HA VAL A 11 9.366 -6.339 -5.733 1.00 10.00 H new ATOM 0 HB VAL A 11 9.302 -7.321 -8.593 1.00 10.00 H new ATOM 0 HG11 VAL A 11 11.106 -8.901 -7.943 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.630 -7.204 -7.828 1.00 10.00 H new ATOM 0 HG13 VAL A 11 11.211 -8.108 -6.353 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.803 -9.539 -7.514 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.804 -8.742 -5.923 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.562 -8.324 -7.127 1.00 10.00 H new ATOM 181 N GLN A 12 9.976 -4.265 -8.172 1.00 10.00 N ATOM 182 CA GLN A 12 10.870 -3.231 -8.682 1.00 10.00 C ATOM 183 C GLN A 12 10.605 -1.871 -8.029 1.00 10.00 C ATOM 184 O GLN A 12 11.381 -0.939 -8.224 1.00 10.00 O ATOM 185 CB GLN A 12 10.688 -3.143 -10.198 1.00 10.00 C ATOM 186 CG GLN A 12 11.160 -4.435 -10.884 1.00 10.00 C ATOM 187 CD GLN A 12 12.668 -4.461 -11.101 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.159 -3.951 -12.101 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.412 -5.062 -10.178 1.00 10.00 N ATOM 0 H GLN A 12 9.082 -4.297 -8.662 1.00 10.00 H new ATOM 0 HA GLN A 12 11.898 -3.500 -8.437 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.639 -2.965 -10.432 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.250 -2.294 -10.587 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.868 -5.292 -10.277 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.656 -4.538 -11.845 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.970 -5.476 -9.357 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.425 -5.109 -10.290 1.00 10.00 H new ATOM 198 N LYS A 13 9.480 -1.733 -7.327 1.00 10.00 N ATOM 199 CA LYS A 13 9.040 -0.505 -6.687 1.00 10.00 C ATOM 200 C LYS A 13 9.259 -0.570 -5.180 1.00 10.00 C ATOM 201 O LYS A 13 9.907 0.314 -4.623 1.00 10.00 O ATOM 202 CB LYS A 13 7.549 -0.293 -6.966 1.00 10.00 C ATOM 203 CG LYS A 13 7.148 0.432 -8.257 1.00 10.00 C ATOM 204 CD LYS A 13 7.916 0.128 -9.550 1.00 10.00 C ATOM 205 CE LYS A 13 9.088 1.095 -9.776 1.00 10.00 C ATOM 206 NZ LYS A 13 9.702 0.902 -11.101 1.00 10.00 N ATOM 0 H LYS A 13 8.830 -2.506 -7.187 1.00 10.00 H new ATOM 0 HA LYS A 13 9.622 0.323 -7.091 1.00 10.00 H new ATOM 0 HB2 LYS A 13 7.069 -1.272 -6.971 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.129 0.263 -6.128 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.095 0.218 -8.441 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.227 1.503 -8.071 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.294 -0.894 -9.513 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.233 0.185 -10.397 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.736 2.122 -9.684 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.839 0.945 -9.001 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.489 1.571 -11.220 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.060 -0.071 -11.179 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.991 1.070 -11.841 1.00 10.00 H new ATOM 220 N CYS A 14 8.646 -1.556 -4.517 1.00 10.00 N ATOM 221 CA CYS A 14 8.454 -1.526 -3.073 1.00 10.00 C ATOM 222 C CYS A 14 9.284 -2.653 -2.442 1.00 10.00 C ATOM 223 O CYS A 14 10.246 -2.381 -1.732 1.00 10.00 O ATOM 224 CB CYS A 14 6.972 -1.545 -2.710 1.00 10.00 C ATOM 225 SG CYS A 14 5.822 -1.108 -4.083 1.00 10.00 S ATOM 0 H CYS A 14 8.273 -2.391 -4.968 1.00 10.00 H new ATOM 0 HA CYS A 14 8.819 -0.588 -2.655 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.716 -2.540 -2.346 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.807 -0.852 -1.885 1.00 10.00 H new ATOM 230 N ALA A 15 8.935 -3.908 -2.745 1.00 10.00 N ATOM 231 CA ALA A 15 9.627 -5.150 -2.384 1.00 10.00 C ATOM 232 C ALA A 15 10.359 -5.181 -1.038 1.00 10.00 C ATOM 233 O ALA A 15 9.847 -5.739 -0.073 1.00 10.00 O ATOM 234 CB ALA A 15 10.548 -5.582 -3.530 1.00 10.00 C ATOM 0 H ALA A 15 8.095 -4.096 -3.292 1.00 10.00 H new ATOM 0 HA ALA A 15 8.824 -5.871 -2.231 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.060 -6.505 -3.257 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.956 -5.748 -4.430 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.284 -4.801 -3.719 1.00 10.00 H new ATOM 240 N GLN A 16 11.562 -4.608 -0.934 1.00 10.00 N ATOM 241 CA GLN A 16 12.264 -4.503 0.338 1.00 10.00 C ATOM 242 C GLN A 16 11.654 -3.351 1.154 1.00 10.00 C ATOM 243 O GLN A 16 12.344 -2.441 1.604 1.00 10.00 O ATOM 244 CB GLN A 16 13.789 -4.400 0.125 1.00 10.00 C ATOM 245 CG GLN A 16 14.490 -5.772 0.200 1.00 10.00 C ATOM 246 CD GLN A 16 15.962 -5.666 0.610 1.00 10.00 C ATOM 247 OE1 GLN A 16 16.335 -4.826 1.421 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.819 -6.541 0.094 1.00 10.00 N ATOM 0 H GLN A 16 12.068 -4.209 -1.724 1.00 10.00 H new ATOM 0 HA GLN A 16 12.130 -5.412 0.925 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.987 -3.947 -0.846 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.214 -3.737 0.879 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.964 -6.405 0.914 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.423 -6.263 -0.771 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.496 -7.235 -0.580 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.800 -6.519 0.372 1.00 10.00 H new ATOM 257 N CYS A 17 10.344 -3.447 1.392 1.00 10.00 N ATOM 258 CA CYS A 17 9.623 -2.711 2.413 1.00 10.00 C ATOM 259 C CYS A 17 8.296 -3.422 2.679 1.00 10.00 C ATOM 260 O CYS A 17 7.967 -3.650 3.842 1.00 10.00 O ATOM 261 CB CYS A 17 9.424 -1.247 2.081 1.00 10.00 C ATOM 262 SG CYS A 17 8.846 -0.455 3.615 1.00 10.00 S ATOM 0 H CYS A 17 9.739 -4.067 0.853 1.00 10.00 H new ATOM 0 HA CYS A 17 10.230 -2.704 3.318 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.354 -0.796 1.736 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.694 -1.125 1.280 1.00 10.00 H new ATOM 267 N HIS A 18 7.555 -3.785 1.618 1.00 10.00 N ATOM 268 CA HIS A 18 6.265 -4.458 1.730 1.00 10.00 C ATOM 269 C HIS A 18 6.355 -5.899 1.283 1.00 10.00 C ATOM 270 O HIS A 18 7.177 -6.262 0.449 1.00 10.00 O ATOM 271 CB HIS A 18 5.211 -3.802 0.835 1.00 10.00 C ATOM 272 CG HIS A 18 4.469 -2.687 1.491 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.443 -2.794 2.406 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.542 -1.395 1.090 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.921 -1.562 2.562 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.562 -0.681 1.768 1.00 10.00 N ATOM 0 H HIS A 18 7.843 -3.615 0.655 1.00 10.00 H new ATOM 0 HA HIS A 18 5.985 -4.388 2.781 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.697 -3.422 -0.064 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.497 -4.561 0.515 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.137 -3.646 2.876 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.239 -0.991 0.370 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.107 -1.316 3.227 1.00 10.00 H new ATOM 284 N THR A 19 5.382 -6.672 1.750 1.00 10.00 N ATOM 285 CA THR A 19 5.179 -8.038 1.350 1.00 10.00 C ATOM 286 C THR A 19 3.692 -8.201 1.043 1.00 10.00 C ATOM 287 O THR A 19 2.873 -7.557 1.696 1.00 10.00 O ATOM 288 CB THR A 19 5.654 -8.926 2.501 1.00 10.00 C ATOM 289 OG1 THR A 19 6.891 -8.472 3.018 1.00 10.00 O ATOM 290 CG2 THR A 19 5.856 -10.326 1.960 1.00 10.00 C ATOM 0 H THR A 19 4.700 -6.347 2.435 1.00 10.00 H new ATOM 0 HA THR A 19 5.740 -8.320 0.459 1.00 10.00 H new ATOM 0 HB THR A 19 4.909 -8.901 3.297 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.172 -9.055 3.754 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.196 -10.981 2.763 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.914 -10.701 1.560 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.604 -10.305 1.168 1.00 10.00 H new ATOM 298 N VAL A 20 3.353 -9.004 0.029 1.00 10.00 N ATOM 299 CA VAL A 20 1.982 -9.309 -0.372 1.00 10.00 C ATOM 300 C VAL A 20 1.839 -10.828 -0.465 1.00 10.00 C ATOM 301 O VAL A 20 1.340 -11.348 -1.458 1.00 10.00 O ATOM 302 CB VAL A 20 1.637 -8.608 -1.703 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.578 -7.088 -1.542 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.598 -8.916 -2.854 1.00 10.00 C ATOM 0 H VAL A 20 4.049 -9.472 -0.551 1.00 10.00 H new ATOM 0 HA VAL A 20 1.274 -8.932 0.367 1.00 10.00 H new ATOM 0 HB VAL A 20 0.660 -9.015 -1.962 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.333 -6.630 -2.500 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.813 -6.829 -0.810 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.546 -6.720 -1.201 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.278 -8.381 -3.748 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.605 -8.599 -2.582 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.596 -9.988 -3.052 1.00 10.00 H new ATOM 314 N GLU A 21 2.325 -11.537 0.557 1.00 10.00 N ATOM 315 CA GLU A 21 2.326 -12.989 0.599 1.00 10.00 C ATOM 316 C GLU A 21 1.757 -13.442 1.940 1.00 10.00 C ATOM 317 O GLU A 21 1.680 -12.668 2.900 1.00 10.00 O ATOM 318 CB GLU A 21 3.735 -13.531 0.303 1.00 10.00 C ATOM 319 CG GLU A 21 4.701 -13.417 1.494 1.00 10.00 C ATOM 320 CD GLU A 21 4.971 -14.738 2.207 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.138 -15.658 2.061 1.00 10.00 O ATOM 322 OE2 GLU A 21 5.995 -14.782 2.919 1.00 10.00 O ATOM 0 H GLU A 21 2.733 -11.106 1.387 1.00 10.00 H new ATOM 0 HA GLU A 21 1.685 -13.403 -0.179 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.658 -14.577 0.007 1.00 10.00 H new ATOM 0 HB3 GLU A 21 4.153 -12.990 -0.546 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.647 -13.007 1.142 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.293 -12.706 2.212 1.00 10.00 H new ATOM 329 N LYS A 22 1.389 -14.715 2.023 1.00 10.00 N ATOM 330 CA LYS A 22 0.762 -15.308 3.191 1.00 10.00 C ATOM 331 C LYS A 22 1.765 -15.600 4.323 1.00 10.00 C ATOM 332 O LYS A 22 1.627 -16.584 5.048 1.00 10.00 O ATOM 333 CB LYS A 22 -0.034 -16.534 2.713 1.00 10.00 C ATOM 334 CG LYS A 22 0.858 -17.652 2.136 1.00 10.00 C ATOM 335 CD LYS A 22 1.043 -18.819 3.120 1.00 10.00 C ATOM 336 CE LYS A 22 0.442 -20.133 2.594 1.00 10.00 C ATOM 337 NZ LYS A 22 -0.217 -20.894 3.673 1.00 10.00 N ATOM 0 H LYS A 22 1.523 -15.377 1.259 1.00 10.00 H new ATOM 0 HA LYS A 22 0.073 -14.603 3.655 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.610 -16.933 3.548 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.749 -16.220 1.953 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.416 -18.026 1.212 1.00 10.00 H new ATOM 0 HG3 LYS A 22 1.833 -17.239 1.879 1.00 10.00 H new ATOM 0 HD2 LYS A 22 2.106 -18.961 3.314 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.576 -18.565 4.072 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.280 -19.915 1.807 1.00 10.00 H new ATOM 0 HE3 LYS A 22 1.228 -20.741 2.146 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -0.612 -21.775 3.286 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 0.479 -21.122 4.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.983 -20.322 4.083 1.00 10.00 H new ATOM 351 N GLY A 23 2.751 -14.721 4.509 1.00 10.00 N ATOM 352 CA GLY A 23 3.815 -14.865 5.492 1.00 10.00 C ATOM 353 C GLY A 23 4.641 -13.587 5.642 1.00 10.00 C ATOM 354 O GLY A 23 5.769 -13.631 6.136 1.00 10.00 O ATOM 0 H GLY A 23 2.830 -13.865 3.961 1.00 10.00 H new ATOM 0 HA2 GLY A 23 3.382 -15.131 6.456 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.469 -15.686 5.199 1.00 10.00 H new ATOM 358 N GLY A 24 4.084 -12.428 5.270 1.00 10.00 N ATOM 359 CA GLY A 24 4.776 -11.169 5.452 1.00 10.00 C ATOM 360 C GLY A 24 4.945 -10.885 6.940 1.00 10.00 C ATOM 361 O GLY A 24 3.971 -10.831 7.687 1.00 10.00 O ATOM 0 H GLY A 24 3.161 -12.347 4.844 1.00 10.00 H new ATOM 0 HA2 GLY A 24 5.751 -11.206 4.966 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.214 -10.363 4.980 1.00 10.00 H new ATOM 365 N LYS A 25 6.199 -10.724 7.361 1.00 10.00 N ATOM 366 CA LYS A 25 6.549 -10.366 8.724 1.00 10.00 C ATOM 367 C LYS A 25 6.330 -8.864 8.919 1.00 10.00 C ATOM 368 O LYS A 25 5.981 -8.166 7.969 1.00 10.00 O ATOM 369 CB LYS A 25 8.002 -10.780 8.982 1.00 10.00 C ATOM 370 CG LYS A 25 8.176 -12.286 8.738 1.00 10.00 C ATOM 371 CD LYS A 25 9.618 -12.715 9.029 1.00 10.00 C ATOM 372 CE LYS A 25 9.743 -14.238 8.868 1.00 10.00 C ATOM 373 NZ LYS A 25 11.151 -14.686 8.843 1.00 10.00 N ATOM 0 H LYS A 25 7.008 -10.842 6.751 1.00 10.00 H new ATOM 0 HA LYS A 25 5.918 -10.887 9.444 1.00 10.00 H new ATOM 0 HB2 LYS A 25 8.669 -10.219 8.328 1.00 10.00 H new ATOM 0 HB3 LYS A 25 8.281 -10.536 10.007 1.00 10.00 H new ATOM 0 HG2 LYS A 25 7.489 -12.845 9.374 1.00 10.00 H new ATOM 0 HG3 LYS A 25 7.921 -12.525 7.706 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.303 -12.209 8.349 1.00 10.00 H new ATOM 0 HD3 LYS A 25 9.899 -12.421 10.040 1.00 10.00 H new ATOM 0 HE2 LYS A 25 9.222 -14.732 9.688 1.00 10.00 H new ATOM 0 HE3 LYS A 25 9.250 -14.545 7.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.185 -15.720 8.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.644 -14.237 8.045 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 11.617 -14.417 9.733 1.00 10.00 H new ATOM 387 N HIS A 26 6.539 -8.370 10.143 1.00 10.00 N ATOM 388 CA HIS A 26 6.194 -7.000 10.498 1.00 10.00 C ATOM 389 C HIS A 26 6.914 -5.980 9.615 1.00 10.00 C ATOM 390 O HIS A 26 6.286 -5.338 8.777 1.00 10.00 O ATOM 391 CB HIS A 26 6.504 -6.749 11.986 1.00 10.00 C ATOM 392 CG HIS A 26 5.676 -7.548 12.962 1.00 10.00 C ATOM 393 ND1 HIS A 26 4.309 -7.483 13.110 1.00 10.00 N ATOM 394 CD2 HIS A 26 6.158 -8.373 13.945 1.00 10.00 C ATOM 395 CE1 HIS A 26 3.977 -8.269 14.150 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.069 -8.838 14.685 1.00 10.00 N ATOM 0 H HIS A 26 6.949 -8.908 10.907 1.00 10.00 H new ATOM 0 HA HIS A 26 5.125 -6.870 10.328 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.557 -6.969 12.163 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.361 -5.689 12.196 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.195 -8.619 14.117 1.00 10.00 H new ATOM 0 HE1 HIS A 26 2.969 -8.422 14.506 1.00 10.00 H new ATOM 0 HE2 HIS A 26 5.097 -9.482 15.475 1.00 10.00 H new ATOM 404 N LYS A 27 8.230 -5.837 9.811 1.00 10.00 N ATOM 405 CA LYS A 27 9.066 -4.952 9.009 1.00 10.00 C ATOM 406 C LYS A 27 8.474 -3.531 8.975 1.00 10.00 C ATOM 407 O LYS A 27 7.843 -3.123 9.949 1.00 10.00 O ATOM 408 CB LYS A 27 9.286 -5.615 7.638 1.00 10.00 C ATOM 409 CG LYS A 27 10.130 -6.884 7.818 1.00 10.00 C ATOM 410 CD LYS A 27 10.230 -7.649 6.494 1.00 10.00 C ATOM 411 CE LYS A 27 11.415 -8.628 6.520 1.00 10.00 C ATOM 412 NZ LYS A 27 11.896 -8.945 5.159 1.00 10.00 N ATOM 0 H LYS A 27 8.743 -6.338 10.537 1.00 10.00 H new ATOM 0 HA LYS A 27 10.054 -4.813 9.449 1.00 10.00 H new ATOM 0 HB2 LYS A 27 8.327 -5.864 7.183 1.00 10.00 H new ATOM 0 HB3 LYS A 27 9.789 -4.923 6.963 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.127 -6.619 8.169 1.00 10.00 H new ATOM 0 HG3 LYS A 27 9.683 -7.521 8.581 1.00 10.00 H new ATOM 0 HD2 LYS A 27 9.304 -8.195 6.313 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.351 -6.946 5.670 1.00 10.00 H new ATOM 0 HE2 LYS A 27 12.230 -8.197 7.102 1.00 10.00 H new ATOM 0 HE3 LYS A 27 11.116 -9.548 7.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 12.695 -9.608 5.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.126 -9.380 4.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 12.206 -8.071 4.688 1.00 10.00 H new ATOM 426 N THR A 28 8.698 -2.764 7.901 1.00 10.00 N ATOM 427 CA THR A 28 8.080 -1.453 7.754 1.00 10.00 C ATOM 428 C THR A 28 6.735 -1.589 7.026 1.00 10.00 C ATOM 429 O THR A 28 5.723 -1.171 7.579 1.00 10.00 O ATOM 430 CB THR A 28 9.074 -0.422 7.186 1.00 10.00 C ATOM 431 OG1 THR A 28 10.220 -0.378 8.009 1.00 10.00 O ATOM 432 CG2 THR A 28 8.484 0.983 7.151 1.00 10.00 C ATOM 0 H THR A 28 9.303 -3.034 7.125 1.00 10.00 H new ATOM 0 HA THR A 28 7.826 -1.034 8.728 1.00 10.00 H new ATOM 0 HB THR A 28 9.315 -0.733 6.169 1.00 10.00 H new ATOM 0 HG1 THR A 28 10.856 0.276 7.650 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.220 1.676 6.744 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.593 0.988 6.523 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.216 1.291 8.162 1.00 10.00 H new ATOM 440 N GLY A 29 6.680 -2.173 5.822 1.00 10.00 N ATOM 441 CA GLY A 29 5.430 -2.341 5.088 1.00 10.00 C ATOM 442 C GLY A 29 4.633 -3.535 5.632 1.00 10.00 C ATOM 443 O GLY A 29 5.070 -4.676 5.476 1.00 10.00 O ATOM 0 H GLY A 29 7.499 -2.539 5.336 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.832 -1.433 5.167 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.642 -2.492 4.030 1.00 10.00 H new ATOM 447 N PRO A 30 3.472 -3.314 6.269 1.00 10.00 N ATOM 448 CA PRO A 30 2.895 -4.288 7.185 1.00 10.00 C ATOM 449 C PRO A 30 2.097 -5.386 6.495 1.00 10.00 C ATOM 450 O PRO A 30 0.881 -5.443 6.642 1.00 10.00 O ATOM 451 CB PRO A 30 2.009 -3.457 8.108 1.00 10.00 C ATOM 452 CG PRO A 30 1.547 -2.297 7.237 1.00 10.00 C ATOM 453 CD PRO A 30 2.778 -2.037 6.378 1.00 10.00 C ATOM 0 HA PRO A 30 3.678 -4.832 7.712 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.164 -4.038 8.479 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.561 -3.105 8.980 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.677 -2.560 6.635 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.272 -1.425 7.831 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.495 -1.662 5.394 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.419 -1.283 6.834 1.00 10.00 H new ATOM 461 N ASN A 31 2.797 -6.276 5.789 1.00 10.00 N ATOM 462 CA ASN A 31 2.219 -7.368 5.015 1.00 10.00 C ATOM 463 C ASN A 31 0.905 -6.956 4.356 1.00 10.00 C ATOM 464 O ASN A 31 -0.176 -7.262 4.849 1.00 10.00 O ATOM 465 CB ASN A 31 2.028 -8.648 5.838 1.00 10.00 C ATOM 466 CG ASN A 31 1.702 -9.814 4.898 1.00 10.00 C ATOM 467 OD1 ASN A 31 1.885 -9.710 3.686 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.259 -10.953 5.421 1.00 10.00 N ATOM 0 H ASN A 31 3.816 -6.253 5.741 1.00 10.00 H new ATOM 0 HA ASN A 31 2.943 -7.595 4.233 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.932 -8.866 6.406 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.223 -8.512 6.560 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.067 -11.752 4.816 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.111 -11.028 6.427 1.00 10.00 H new ATOM 475 N LEU A 32 1.020 -6.287 3.213 1.00 10.00 N ATOM 476 CA LEU A 32 -0.083 -5.732 2.442 1.00 10.00 C ATOM 477 C LEU A 32 -1.177 -6.788 2.162 1.00 10.00 C ATOM 478 O LEU A 32 -2.321 -6.451 1.857 1.00 10.00 O ATOM 479 CB LEU A 32 0.513 -5.170 1.142 1.00 10.00 C ATOM 480 CG LEU A 32 0.268 -3.686 0.857 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.035 -3.320 -0.422 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.220 -3.460 0.682 1.00 10.00 C ATOM 0 H LEU A 32 1.927 -6.110 2.781 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.579 -4.941 3.005 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.590 -5.339 1.160 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.114 -5.747 0.308 1.00 10.00 H new ATOM 0 HG LEU A 32 0.615 -3.059 1.678 1.00 10.00 H new ATOM 0 HD11 LEU A 32 0.879 -2.266 -0.651 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.099 -3.506 -0.274 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.672 -3.929 -1.250 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.406 -2.406 0.478 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.584 -4.060 -0.152 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.742 -3.751 1.594 1.00 10.00 H new ATOM 494 N HIS A 33 -0.825 -8.076 2.234 1.00 10.00 N ATOM 495 CA HIS A 33 -1.761 -9.186 2.300 1.00 10.00 C ATOM 496 C HIS A 33 -2.949 -8.886 3.227 1.00 10.00 C ATOM 497 O HIS A 33 -2.781 -8.676 4.425 1.00 10.00 O ATOM 498 CB HIS A 33 -0.979 -10.427 2.727 1.00 10.00 C ATOM 499 CG HIS A 33 -1.768 -11.703 2.776 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.838 -12.676 1.804 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.348 -12.200 3.908 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.497 -13.720 2.340 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.817 -13.482 3.624 1.00 10.00 N ATOM 0 H HIS A 33 0.150 -8.376 2.248 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.208 -9.357 1.321 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.144 -10.563 2.040 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.554 -10.245 3.714 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.429 -11.690 4.856 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.737 -14.629 1.809 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.304 -14.112 4.261 1.00 10.00 H new ATOM 511 N GLY A 34 -4.158 -8.870 2.658 1.00 10.00 N ATOM 512 CA GLY A 34 -5.377 -8.472 3.345 1.00 10.00 C ATOM 513 C GLY A 34 -5.787 -7.029 3.047 1.00 10.00 C ATOM 514 O GLY A 34 -6.611 -6.487 3.778 1.00 10.00 O ATOM 0 H GLY A 34 -4.313 -9.140 1.687 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.187 -9.141 3.054 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.237 -8.590 4.420 1.00 10.00 H new ATOM 518 N LEU A 35 -5.246 -6.409 1.988 1.00 10.00 N ATOM 519 CA LEU A 35 -5.578 -5.034 1.640 1.00 10.00 C ATOM 520 C LEU A 35 -7.045 -4.884 1.229 1.00 10.00 C ATOM 521 O LEU A 35 -7.855 -4.325 1.967 1.00 10.00 O ATOM 522 CB LEU A 35 -4.625 -4.527 0.536 1.00 10.00 C ATOM 523 CG LEU A 35 -4.842 -3.073 0.077 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.507 -2.078 1.187 1.00 10.00 C ATOM 525 CD2 LEU A 35 -4.055 -2.743 -1.189 1.00 10.00 C ATOM 0 H LEU A 35 -4.573 -6.848 1.359 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.443 -4.417 2.528 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.600 -4.626 0.894 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.724 -5.180 -0.331 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.902 -2.980 -0.159 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.672 -1.062 0.827 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -5.147 -2.266 2.049 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.463 -2.195 1.478 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.241 -1.707 -1.473 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.990 -2.883 -1.002 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.372 -3.403 -1.997 1.00 10.00 H new ATOM 537 N PHE A 36 -7.376 -5.337 0.016 1.00 10.00 N ATOM 538 CA PHE A 36 -8.703 -5.165 -0.555 1.00 10.00 C ATOM 539 C PHE A 36 -9.718 -5.881 0.329 1.00 10.00 C ATOM 540 O PHE A 36 -9.642 -7.098 0.482 1.00 10.00 O ATOM 541 CB PHE A 36 -8.770 -5.694 -1.993 1.00 10.00 C ATOM 542 CG PHE A 36 -7.684 -5.157 -2.900 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.853 -3.959 -3.616 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.459 -5.835 -2.960 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.791 -3.451 -4.386 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.390 -5.303 -3.692 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.563 -4.125 -4.433 1.00 10.00 C ATOM 0 H PHE A 36 -6.726 -5.833 -0.594 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.934 -4.101 -0.595 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.706 -6.782 -1.972 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.741 -5.440 -2.417 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.794 -3.431 -3.575 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.339 -6.773 -2.439 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.923 -2.536 -4.944 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.431 -5.800 -3.686 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.755 -3.739 -5.036 1.00 10.00 H new ATOM 557 N GLY A 37 -10.659 -5.131 0.903 1.00 10.00 N ATOM 558 CA GLY A 37 -11.636 -5.686 1.829 1.00 10.00 C ATOM 559 C GLY A 37 -11.166 -5.577 3.278 1.00 10.00 C ATOM 560 O GLY A 37 -11.398 -6.481 4.079 1.00 10.00 O ATOM 0 H GLY A 37 -10.762 -4.130 0.738 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.585 -5.162 1.714 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.817 -6.732 1.583 1.00 10.00 H new ATOM 564 N ARG A 38 -10.550 -4.447 3.635 1.00 10.00 N ATOM 565 CA ARG A 38 -10.249 -4.097 5.011 1.00 10.00 C ATOM 566 C ARG A 38 -10.073 -2.584 5.108 1.00 10.00 C ATOM 567 O ARG A 38 -10.089 -1.881 4.093 1.00 10.00 O ATOM 568 CB ARG A 38 -9.031 -4.895 5.524 1.00 10.00 C ATOM 569 CG ARG A 38 -9.404 -5.759 6.742 1.00 10.00 C ATOM 570 CD ARG A 38 -8.517 -7.004 6.887 1.00 10.00 C ATOM 571 NE ARG A 38 -9.223 -8.038 7.666 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.963 -9.355 7.626 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.845 -9.796 7.040 1.00 10.00 N ATOM 574 NH2 ARG A 38 -9.828 -10.221 8.167 1.00 10.00 N ATOM 0 H ARG A 38 -10.245 -3.745 2.961 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.075 -4.374 5.666 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.648 -5.532 4.727 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.230 -4.207 5.795 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.325 -5.156 7.646 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.445 -6.069 6.656 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.258 -7.393 5.902 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.582 -6.739 7.381 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.971 -7.727 8.286 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.191 -9.133 6.624 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.646 -10.796 7.009 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -10.682 -9.880 8.608 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -9.633 -11.222 8.138 1.00 10.00 H new ATOM 588 N LYS A 39 -9.966 -2.103 6.348 1.00 10.00 N ATOM 589 CA LYS A 39 -9.734 -0.713 6.705 1.00 10.00 C ATOM 590 C LYS A 39 -8.243 -0.522 6.985 1.00 10.00 C ATOM 591 O LYS A 39 -7.490 -1.488 7.079 1.00 10.00 O ATOM 592 CB LYS A 39 -10.585 -0.369 7.943 1.00 10.00 C ATOM 593 CG LYS A 39 -11.687 0.643 7.614 1.00 10.00 C ATOM 594 CD LYS A 39 -12.690 0.738 8.775 1.00 10.00 C ATOM 595 CE LYS A 39 -13.401 2.098 8.756 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.560 2.163 9.669 1.00 10.00 N ATOM 0 H LYS A 39 -10.043 -2.707 7.167 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.023 -0.046 5.893 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.035 -1.280 8.339 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -9.942 0.035 8.725 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.246 1.622 7.425 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.204 0.344 6.702 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.424 -0.064 8.697 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.171 0.605 9.724 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -12.689 2.877 9.028 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.734 2.312 7.741 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -14.996 3.105 9.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.257 1.441 9.397 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.244 1.988 10.644 1.00 10.00 H new ATOM 610 N THR A 40 -7.823 0.731 7.144 1.00 10.00 N ATOM 611 CA THR A 40 -6.447 1.081 7.455 1.00 10.00 C ATOM 612 C THR A 40 -6.055 0.593 8.853 1.00 10.00 C ATOM 613 O THR A 40 -5.103 -0.161 9.027 1.00 10.00 O ATOM 614 CB THR A 40 -6.313 2.602 7.338 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.151 3.226 8.289 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.762 3.090 5.966 1.00 10.00 C ATOM 0 H THR A 40 -8.440 1.539 7.059 1.00 10.00 H new ATOM 0 HA THR A 40 -5.769 0.593 6.755 1.00 10.00 H new ATOM 0 HB THR A 40 -5.264 2.851 7.500 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.602 3.705 8.944 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.656 4.173 5.912 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.146 2.626 5.195 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.806 2.820 5.807 1.00 10.00 H new ATOM 624 N GLY A 41 -6.784 1.052 9.870 1.00 10.00 N ATOM 625 CA GLY A 41 -6.442 0.852 11.269 1.00 10.00 C ATOM 626 C GLY A 41 -6.853 -0.522 11.787 1.00 10.00 C ATOM 627 O GLY A 41 -7.433 -0.619 12.868 1.00 10.00 O ATOM 0 H GLY A 41 -7.645 1.583 9.737 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.367 0.977 11.397 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.926 1.622 11.870 1.00 10.00 H new ATOM 631 N GLN A 42 -6.546 -1.571 11.024 1.00 10.00 N ATOM 632 CA GLN A 42 -6.904 -2.950 11.310 1.00 10.00 C ATOM 633 C GLN A 42 -5.680 -3.819 11.039 1.00 10.00 C ATOM 634 O GLN A 42 -5.417 -4.175 9.894 1.00 10.00 O ATOM 635 CB GLN A 42 -8.094 -3.360 10.428 1.00 10.00 C ATOM 636 CG GLN A 42 -9.433 -2.859 11.003 1.00 10.00 C ATOM 637 CD GLN A 42 -10.429 -3.995 11.245 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.057 -5.087 11.660 1.00 10.00 O ATOM 639 NE2 GLN A 42 -11.713 -3.759 10.991 1.00 10.00 N ATOM 0 H GLN A 42 -6.020 -1.473 10.156 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.205 -3.073 12.350 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.957 -2.959 9.424 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.121 -4.446 10.337 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.249 -2.336 11.941 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.872 -2.136 10.316 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -12.005 -2.845 10.646 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -12.406 -4.492 11.141 1.00 10.00 H new ATOM 648 N ALA A 43 -4.930 -4.148 12.095 1.00 10.00 N ATOM 649 CA ALA A 43 -3.765 -5.019 12.038 1.00 10.00 C ATOM 650 C ALA A 43 -3.866 -6.028 13.181 1.00 10.00 C ATOM 651 O ALA A 43 -4.577 -5.753 14.146 1.00 10.00 O ATOM 652 CB ALA A 43 -2.492 -4.184 12.189 1.00 10.00 C ATOM 0 H ALA A 43 -5.126 -3.804 13.035 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.728 -5.541 11.082 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.621 -4.838 12.146 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.438 -3.454 11.382 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.509 -3.665 13.147 1.00 10.00 H new ATOM 658 N PRO A 44 -3.163 -7.169 13.101 1.00 10.00 N ATOM 659 CA PRO A 44 -3.193 -8.173 14.149 1.00 10.00 C ATOM 660 C PRO A 44 -2.402 -7.703 15.373 1.00 10.00 C ATOM 661 O PRO A 44 -2.980 -7.465 16.429 1.00 10.00 O ATOM 662 CB PRO A 44 -2.640 -9.450 13.507 1.00 10.00 C ATOM 663 CG PRO A 44 -1.780 -8.965 12.336 1.00 10.00 C ATOM 664 CD PRO A 44 -2.376 -7.608 11.958 1.00 10.00 C ATOM 0 HA PRO A 44 -4.197 -8.358 14.531 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.049 -10.025 14.219 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.445 -10.099 13.163 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.733 -8.872 12.625 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.819 -9.663 11.499 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.589 -6.889 11.730 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.999 -7.692 11.068 1.00 10.00 H new ATOM 672 N GLY A 45 -1.081 -7.562 15.233 1.00 10.00 N ATOM 673 CA GLY A 45 -0.202 -7.082 16.292 1.00 10.00 C ATOM 674 C GLY A 45 0.960 -6.303 15.685 1.00 10.00 C ATOM 675 O GLY A 45 2.111 -6.483 16.071 1.00 10.00 O ATOM 0 H GLY A 45 -0.589 -7.782 14.367 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.759 -6.445 16.979 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.176 -7.923 16.873 1.00 10.00 H new ATOM 679 N PHE A 46 0.648 -5.453 14.703 1.00 10.00 N ATOM 680 CA PHE A 46 1.602 -4.549 14.067 1.00 10.00 C ATOM 681 C PHE A 46 1.421 -3.142 14.658 1.00 10.00 C ATOM 682 O PHE A 46 0.361 -2.834 15.202 1.00 10.00 O ATOM 683 CB PHE A 46 1.371 -4.559 12.552 1.00 10.00 C ATOM 684 CG PHE A 46 2.176 -3.526 11.790 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.545 -3.739 11.538 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.582 -2.297 11.443 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.317 -2.726 10.943 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.356 -1.287 10.847 1.00 10.00 C ATOM 689 CZ PHE A 46 3.727 -1.493 10.614 1.00 10.00 C ATOM 0 H PHE A 46 -0.295 -5.375 14.322 1.00 10.00 H new ATOM 0 HA PHE A 46 2.626 -4.871 14.254 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.615 -5.549 12.166 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.312 -4.393 12.357 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.002 -4.681 11.802 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.532 -2.131 11.635 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.364 -2.895 10.738 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.897 -0.350 10.567 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.326 -0.705 10.183 1.00 10.00 H new ATOM 699 N THR A 47 2.444 -2.291 14.543 1.00 10.00 N ATOM 700 CA THR A 47 2.469 -0.944 15.103 1.00 10.00 C ATOM 701 C THR A 47 2.144 0.084 14.008 1.00 10.00 C ATOM 702 O THR A 47 3.025 0.513 13.267 1.00 10.00 O ATOM 703 CB THR A 47 3.835 -0.703 15.775 1.00 10.00 C ATOM 704 OG1 THR A 47 4.914 -0.971 14.900 1.00 10.00 O ATOM 705 CG2 THR A 47 4.008 -1.600 17.007 1.00 10.00 C ATOM 0 H THR A 47 3.300 -2.530 14.043 1.00 10.00 H new ATOM 0 HA THR A 47 1.704 -0.830 15.871 1.00 10.00 H new ATOM 0 HB THR A 47 3.847 0.349 16.059 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.688 -0.663 13.998 1.00 10.00 H new ATOM 0 HG21 THR A 47 4.980 -1.410 17.462 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.221 -1.383 17.729 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.946 -2.646 16.707 1.00 10.00 H new ATOM 713 N TYR A 48 0.874 0.490 13.889 1.00 10.00 N ATOM 714 CA TYR A 48 0.460 1.481 12.904 1.00 10.00 C ATOM 715 C TYR A 48 0.668 2.883 13.462 1.00 10.00 C ATOM 716 O TYR A 48 0.392 3.138 14.632 1.00 10.00 O ATOM 717 CB TYR A 48 -1.009 1.290 12.489 1.00 10.00 C ATOM 718 CG TYR A 48 -1.231 0.439 11.252 1.00 10.00 C ATOM 719 CD1 TYR A 48 -0.563 0.750 10.051 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.235 -0.546 11.244 1.00 10.00 C ATOM 721 CE1 TYR A 48 -0.812 0.002 8.889 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.504 -1.269 10.067 1.00 10.00 C ATOM 723 CZ TYR A 48 -1.769 -1.022 8.898 1.00 10.00 C ATOM 724 OH TYR A 48 -2.074 -1.694 7.755 1.00 10.00 O ATOM 0 H TYR A 48 0.113 0.140 14.471 1.00 10.00 H new ATOM 0 HA TYR A 48 1.075 1.347 12.014 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.548 0.838 13.322 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.451 2.272 12.318 1.00 10.00 H new ATOM 0 HD1 TYR A 48 0.143 1.567 10.024 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.800 -0.748 12.142 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -0.263 0.217 7.984 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.281 -2.019 10.064 1.00 10.00 H new ATOM 0 HH TYR A 48 -1.379 -1.531 7.084 1.00 10.00 H new ATOM 734 N THR A 49 1.131 3.786 12.599 1.00 10.00 N ATOM 735 CA THR A 49 1.349 5.177 12.948 1.00 10.00 C ATOM 736 C THR A 49 0.019 5.919 13.106 1.00 10.00 C ATOM 737 O THR A 49 -1.014 5.481 12.582 1.00 10.00 O ATOM 738 CB THR A 49 2.233 5.830 11.868 1.00 10.00 C ATOM 739 OG1 THR A 49 2.678 7.099 12.294 1.00 10.00 O ATOM 740 CG2 THR A 49 1.532 5.975 10.512 1.00 10.00 C ATOM 0 H THR A 49 1.365 3.564 11.631 1.00 10.00 H new ATOM 0 HA THR A 49 1.860 5.235 13.909 1.00 10.00 H new ATOM 0 HB THR A 49 3.078 5.156 11.728 1.00 10.00 H new ATOM 0 HG1 THR A 49 3.239 7.499 11.598 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.212 6.442 9.799 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.242 4.990 10.145 1.00 10.00 H new ATOM 0 HG23 THR A 49 0.643 6.596 10.626 1.00 10.00 H new ATOM 748 N ASP A 50 0.076 7.112 13.705 1.00 10.00 N ATOM 749 CA ASP A 50 -1.034 8.046 13.898 1.00 10.00 C ATOM 750 C ASP A 50 -1.477 8.715 12.590 1.00 10.00 C ATOM 751 O ASP A 50 -1.983 9.835 12.598 1.00 10.00 O ATOM 752 CB ASP A 50 -0.625 9.095 14.942 1.00 10.00 C ATOM 753 CG ASP A 50 -0.432 8.469 16.312 1.00 10.00 C ATOM 754 OD1 ASP A 50 -1.452 8.337 17.022 1.00 10.00 O ATOM 755 OD2 ASP A 50 0.728 8.109 16.604 1.00 10.00 O ATOM 0 H ASP A 50 0.949 7.471 14.090 1.00 10.00 H new ATOM 0 HA ASP A 50 -1.896 7.483 14.255 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.299 9.581 14.629 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.389 9.870 14.999 1.00 10.00 H new ATOM 760 N ALA A 51 -1.333 8.015 11.463 1.00 10.00 N ATOM 761 CA ALA A 51 -1.910 8.390 10.187 1.00 10.00 C ATOM 762 C ALA A 51 -2.777 7.233 9.717 1.00 10.00 C ATOM 763 O ALA A 51 -3.979 7.399 9.544 1.00 10.00 O ATOM 764 CB ALA A 51 -0.819 8.764 9.179 1.00 10.00 C ATOM 0 H ALA A 51 -0.796 7.149 11.420 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.530 9.281 10.287 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.279 9.041 8.231 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.243 9.606 9.562 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.157 7.911 9.026 1.00 10.00 H new ATOM 770 N ASN A 52 -2.198 6.035 9.571 1.00 10.00 N ATOM 771 CA ASN A 52 -2.955 4.893 9.074 1.00 10.00 C ATOM 772 C ASN A 52 -4.091 4.576 10.037 1.00 10.00 C ATOM 773 O ASN A 52 -5.248 4.526 9.629 1.00 10.00 O ATOM 774 CB ASN A 52 -2.068 3.664 8.837 1.00 10.00 C ATOM 775 CG ASN A 52 -2.487 2.913 7.571 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.008 1.695 7.687 1.00 10.00 O flip ATOM 777 ND2 ASN A 52 -2.363 3.439 6.471 1.00 10.00 N flip ATOM 0 H ASN A 52 -1.221 5.838 9.788 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.372 5.161 8.103 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.027 3.975 8.750 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.131 2.996 9.696 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -1.962 4.374 6.395 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.661 2.942 5.632 1.00 10.00 H new ATOM 784 N LYS A 53 -3.792 4.428 11.332 1.00 10.00 N ATOM 785 CA LYS A 53 -4.848 4.154 12.304 1.00 10.00 C ATOM 786 C LYS A 53 -5.825 5.328 12.433 1.00 10.00 C ATOM 787 O LYS A 53 -6.921 5.145 12.954 1.00 10.00 O ATOM 788 CB LYS A 53 -4.277 3.734 13.672 1.00 10.00 C ATOM 789 CG LYS A 53 -4.529 2.241 13.950 1.00 10.00 C ATOM 790 CD LYS A 53 -4.257 1.886 15.419 1.00 10.00 C ATOM 791 CE LYS A 53 -5.468 2.197 16.324 1.00 10.00 C ATOM 792 NZ LYS A 53 -6.254 0.988 16.659 1.00 10.00 N ATOM 0 H LYS A 53 -2.851 4.492 11.722 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.416 3.306 11.922 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -3.206 3.935 13.698 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.734 4.335 14.459 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -5.561 1.993 13.700 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -3.891 1.637 13.305 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -4.010 0.827 15.496 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -3.389 2.443 15.772 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -5.118 2.665 17.244 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.114 2.919 15.825 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -7.055 1.252 17.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -6.612 0.554 15.785 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -5.648 0.308 17.160 1.00 10.00 H new ATOM 806 N ASN A 54 -5.441 6.516 11.953 1.00 10.00 N ATOM 807 CA ASN A 54 -6.264 7.713 12.001 1.00 10.00 C ATOM 808 C ASN A 54 -7.078 7.895 10.711 1.00 10.00 C ATOM 809 O ASN A 54 -7.893 8.808 10.636 1.00 10.00 O ATOM 810 CB ASN A 54 -5.354 8.921 12.276 1.00 10.00 C ATOM 811 CG ASN A 54 -6.073 9.997 13.081 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.455 11.038 12.559 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.247 9.757 14.380 1.00 10.00 N ATOM 0 H ASN A 54 -4.533 6.667 11.514 1.00 10.00 H new ATOM 0 HA ASN A 54 -6.993 7.619 12.806 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -4.467 8.593 12.818 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.012 9.342 11.330 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -6.709 10.450 14.969 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.918 8.881 14.785 1.00 10.00 H new ATOM 820 N LYS A 55 -6.865 7.048 9.693 1.00 10.00 N ATOM 821 CA LYS A 55 -7.465 7.219 8.373 1.00 10.00 C ATOM 822 C LYS A 55 -8.861 6.589 8.338 1.00 10.00 C ATOM 823 O LYS A 55 -9.853 7.258 8.066 1.00 10.00 O ATOM 824 CB LYS A 55 -6.523 6.624 7.306 1.00 10.00 C ATOM 825 CG LYS A 55 -6.429 7.493 6.047 1.00 10.00 C ATOM 826 CD LYS A 55 -5.326 6.971 5.110 1.00 10.00 C ATOM 827 CE LYS A 55 -4.928 8.061 4.103 1.00 10.00 C ATOM 828 NZ LYS A 55 -4.476 7.514 2.806 1.00 10.00 N ATOM 0 H LYS A 55 -6.269 6.224 9.768 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.593 8.279 8.153 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.528 6.503 7.733 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.875 5.630 7.031 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.386 7.493 5.526 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.218 8.525 6.326 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.456 6.669 5.693 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.678 6.086 4.580 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.779 8.721 3.936 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.132 8.670 4.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -3.460 7.700 2.686 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -4.645 6.488 2.784 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -5.005 7.969 2.034 1.00 10.00 H new ATOM 842 N GLY A 56 -8.934 5.280 8.585 1.00 10.00 N ATOM 843 CA GLY A 56 -10.169 4.513 8.605 1.00 10.00 C ATOM 844 C GLY A 56 -10.848 4.440 7.237 1.00 10.00 C ATOM 845 O GLY A 56 -12.052 4.205 7.162 1.00 10.00 O ATOM 0 H GLY A 56 -8.109 4.713 8.782 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -9.957 3.502 8.954 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -10.857 4.960 9.323 1.00 10.00 H new ATOM 849 N ILE A 57 -10.082 4.580 6.156 1.00 10.00 N ATOM 850 CA ILE A 57 -10.581 4.433 4.797 1.00 10.00 C ATOM 851 C ILE A 57 -10.467 2.973 4.352 1.00 10.00 C ATOM 852 O ILE A 57 -9.550 2.261 4.762 1.00 10.00 O ATOM 853 CB ILE A 57 -9.878 5.437 3.863 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.371 5.181 3.712 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.180 6.852 4.373 1.00 10.00 C ATOM 856 CD1 ILE A 57 -7.745 6.045 2.613 1.00 10.00 C ATOM 0 H ILE A 57 -9.087 4.801 6.204 1.00 10.00 H new ATOM 0 HA ILE A 57 -11.642 4.678 4.752 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.272 5.312 2.854 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -7.873 5.385 4.660 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.204 4.128 3.484 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -9.693 7.583 3.728 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.257 7.020 4.363 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -9.805 6.960 5.391 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -6.679 5.829 2.543 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.223 5.823 1.659 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -7.887 7.099 2.853 1.00 10.00 H new ATOM 868 N THR A 58 -11.428 2.504 3.557 1.00 10.00 N ATOM 869 CA THR A 58 -11.389 1.168 2.999 1.00 10.00 C ATOM 870 C THR A 58 -10.398 1.120 1.835 1.00 10.00 C ATOM 871 O THR A 58 -10.048 2.145 1.240 1.00 10.00 O ATOM 872 CB THR A 58 -12.803 0.760 2.560 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.328 1.729 1.677 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.743 0.655 3.764 1.00 10.00 C ATOM 0 H THR A 58 -12.250 3.044 3.287 1.00 10.00 H new ATOM 0 HA THR A 58 -11.048 0.457 3.751 1.00 10.00 H new ATOM 0 HB THR A 58 -12.732 -0.210 2.069 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.229 1.464 1.398 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.737 0.365 3.425 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.363 -0.095 4.458 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.799 1.620 4.267 1.00 10.00 H new ATOM 882 N TRP A 59 -9.954 -0.088 1.496 1.00 10.00 N ATOM 883 CA TRP A 59 -9.144 -0.324 0.317 1.00 10.00 C ATOM 884 C TRP A 59 -9.962 -1.130 -0.681 1.00 10.00 C ATOM 885 O TRP A 59 -10.456 -2.213 -0.359 1.00 10.00 O ATOM 886 CB TRP A 59 -7.855 -1.013 0.723 1.00 10.00 C ATOM 887 CG TRP A 59 -7.112 -0.265 1.779 1.00 10.00 C ATOM 888 CD1 TRP A 59 -7.103 -0.589 3.089 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.346 0.974 1.659 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.304 0.303 3.769 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.828 1.308 2.944 1.00 10.00 C ATOM 892 CE3 TRP A 59 -6.045 1.858 0.598 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.040 2.455 3.158 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.268 3.011 0.805 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.750 3.302 2.078 1.00 10.00 C ATOM 0 H TRP A 59 -10.150 -0.930 2.037 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.863 0.611 -0.167 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -8.082 -2.016 1.085 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -7.217 -1.127 -0.153 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.637 -1.416 3.533 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -6.088 0.232 4.763 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.420 1.643 -0.392 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.662 2.681 4.144 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -5.068 3.678 -0.021 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.131 4.175 2.225 1.00 10.00 H new ATOM 906 N LYS A 60 -10.128 -0.564 -1.876 1.00 10.00 N ATOM 907 CA LYS A 60 -10.883 -1.147 -2.973 1.00 10.00 C ATOM 908 C LYS A 60 -10.286 -0.660 -4.292 1.00 10.00 C ATOM 909 O LYS A 60 -11.031 -0.243 -5.170 1.00 10.00 O ATOM 910 CB LYS A 60 -12.368 -0.759 -2.852 1.00 10.00 C ATOM 911 CG LYS A 60 -12.590 0.761 -2.740 1.00 10.00 C ATOM 912 CD LYS A 60 -14.038 1.148 -3.096 1.00 10.00 C ATOM 913 CE LYS A 60 -14.055 1.744 -4.512 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.372 2.213 -4.981 1.00 10.00 N ATOM 0 H LYS A 60 -9.725 0.343 -2.110 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.822 -2.235 -2.939 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.907 -1.135 -3.721 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.794 -1.248 -1.976 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.364 1.089 -1.725 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.900 1.281 -3.404 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.686 0.273 -3.047 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.423 1.871 -2.377 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.357 2.580 -4.545 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.686 0.992 -5.210 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.243 2.884 -5.765 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.933 1.401 -5.309 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.871 2.685 -4.200 1.00 10.00 H new ATOM 928 N GLU A 61 -8.951 -0.622 -4.371 1.00 10.00 N ATOM 929 CA GLU A 61 -8.143 -0.123 -5.485 1.00 10.00 C ATOM 930 C GLU A 61 -8.255 1.391 -5.717 1.00 10.00 C ATOM 931 O GLU A 61 -7.249 2.047 -5.950 1.00 10.00 O ATOM 932 CB GLU A 61 -8.267 -1.031 -6.729 1.00 10.00 C ATOM 933 CG GLU A 61 -9.374 -0.792 -7.768 1.00 10.00 C ATOM 934 CD GLU A 61 -9.851 -2.120 -8.381 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.765 -2.769 -7.815 1.00 10.00 O ATOM 936 OE2 GLU A 61 -9.229 -2.552 -9.373 1.00 10.00 O ATOM 0 H GLU A 61 -8.369 -0.963 -3.606 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.096 -0.208 -5.195 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.315 -0.982 -7.258 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.380 -2.054 -6.370 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.215 -0.282 -7.298 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -9.003 -0.136 -8.556 1.00 10.00 H new ATOM 943 N GLU A 62 -9.446 1.966 -5.581 1.00 10.00 N ATOM 944 CA GLU A 62 -9.737 3.379 -5.788 1.00 10.00 C ATOM 945 C GLU A 62 -8.919 4.289 -4.856 1.00 10.00 C ATOM 946 O GLU A 62 -8.311 5.259 -5.299 1.00 10.00 O ATOM 947 CB GLU A 62 -11.254 3.554 -5.607 1.00 10.00 C ATOM 948 CG GLU A 62 -11.912 4.614 -6.504 1.00 10.00 C ATOM 949 CD GLU A 62 -13.142 4.049 -7.211 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.179 3.891 -6.524 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.014 3.710 -8.403 1.00 10.00 O ATOM 0 H GLU A 62 -10.273 1.433 -5.311 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.441 3.685 -6.791 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.737 2.595 -5.794 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.450 3.812 -4.566 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.199 5.477 -5.903 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.193 4.966 -7.244 1.00 10.00 H new ATOM 958 N THR A 63 -8.886 3.988 -3.553 1.00 10.00 N ATOM 959 CA THR A 63 -8.139 4.787 -2.592 1.00 10.00 C ATOM 960 C THR A 63 -6.640 4.694 -2.898 1.00 10.00 C ATOM 961 O THR A 63 -5.959 5.706 -3.093 1.00 10.00 O ATOM 962 CB THR A 63 -8.491 4.311 -1.172 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.636 2.901 -1.145 1.00 10.00 O ATOM 964 CG2 THR A 63 -9.824 4.909 -0.719 1.00 10.00 C ATOM 0 H THR A 63 -9.373 3.191 -3.144 1.00 10.00 H new ATOM 0 HA THR A 63 -8.410 5.840 -2.665 1.00 10.00 H new ATOM 0 HB THR A 63 -7.683 4.630 -0.513 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.171 2.642 -0.366 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.056 4.561 0.288 1.00 10.00 H new ATOM 0 HG22 THR A 63 -9.754 5.997 -0.719 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.614 4.596 -1.402 1.00 10.00 H new ATOM 972 N LEU A 64 -6.125 3.461 -2.952 1.00 10.00 N ATOM 973 CA LEU A 64 -4.726 3.228 -3.256 1.00 10.00 C ATOM 974 C LEU A 64 -4.309 3.848 -4.599 1.00 10.00 C ATOM 975 O LEU A 64 -3.246 4.451 -4.669 1.00 10.00 O ATOM 976 CB LEU A 64 -4.284 1.767 -3.064 1.00 10.00 C ATOM 977 CG LEU A 64 -5.141 0.621 -3.577 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.219 -0.499 -4.064 1.00 10.00 C ATOM 979 CD2 LEU A 64 -6.125 0.082 -2.531 1.00 10.00 C ATOM 0 H LEU A 64 -6.666 2.612 -2.787 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.157 3.769 -2.500 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.303 1.666 -3.528 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.148 1.611 -1.994 1.00 10.00 H new ATOM 0 HG LEU A 64 -5.752 1.005 -4.394 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.820 -1.329 -4.435 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.583 -0.124 -4.866 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.596 -0.843 -3.238 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.705 -0.734 -2.963 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -5.572 -0.284 -1.666 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.798 0.880 -2.220 1.00 10.00 H new ATOM 991 N MET A 65 -5.131 3.761 -5.647 1.00 10.00 N ATOM 992 CA MET A 65 -4.859 4.368 -6.950 1.00 10.00 C ATOM 993 C MET A 65 -4.339 5.799 -6.834 1.00 10.00 C ATOM 994 O MET A 65 -3.378 6.152 -7.517 1.00 10.00 O ATOM 995 CB MET A 65 -6.125 4.362 -7.820 1.00 10.00 C ATOM 996 CG MET A 65 -6.264 3.082 -8.649 1.00 10.00 C ATOM 997 SD MET A 65 -6.080 3.318 -10.432 1.00 10.00 S ATOM 998 CE MET A 65 -7.620 4.186 -10.806 1.00 10.00 C ATOM 0 H MET A 65 -6.018 3.259 -5.613 1.00 10.00 H new ATOM 0 HA MET A 65 -4.080 3.765 -7.416 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.001 4.473 -7.181 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.106 5.223 -8.488 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.517 2.363 -8.312 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.242 2.642 -8.453 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.663 4.407 -11.873 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.468 3.558 -10.531 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.659 5.117 -10.241 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.973 6.622 -5.993 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.507 7.979 -5.791 1.00 10.00 C ATOM 1010 C GLU A 66 -3.349 7.971 -4.805 1.00 10.00 C ATOM 1011 O GLU A 66 -2.333 8.606 -5.057 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.638 8.882 -5.305 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.633 9.202 -6.423 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.546 10.343 -5.998 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -7.002 11.455 -5.812 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.754 10.078 -5.833 1.00 10.00 O ATOM 0 H GLU A 66 -5.799 6.368 -5.452 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.161 8.382 -6.743 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.161 8.397 -4.481 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.220 9.810 -4.915 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.096 9.474 -7.332 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.227 8.318 -6.656 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.485 7.264 -3.682 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.479 7.276 -2.627 1.00 10.00 C ATOM 1025 C TYR A 67 -1.076 6.957 -3.166 1.00 10.00 C ATOM 1026 O TYR A 67 -0.126 7.701 -2.937 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.911 6.290 -1.535 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.208 6.428 -0.196 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.065 7.689 0.416 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.762 5.274 0.480 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.438 7.802 1.668 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.185 5.386 1.757 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.975 6.651 2.326 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.484 6.750 3.588 1.00 10.00 O ATOM 0 H TYR A 67 -4.291 6.672 -3.482 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.411 8.278 -2.204 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.983 6.405 -1.373 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.751 5.277 -1.904 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.439 8.573 -0.080 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.864 4.304 0.017 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.312 8.773 2.124 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.903 4.497 2.301 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.048 5.908 3.836 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.960 5.873 -3.935 1.00 10.00 N ATOM 1045 CA LEU A 68 0.274 5.425 -4.573 1.00 10.00 C ATOM 1046 C LEU A 68 0.790 6.418 -5.621 1.00 10.00 C ATOM 1047 O LEU A 68 1.932 6.295 -6.063 1.00 10.00 O ATOM 1048 CB LEU A 68 0.040 4.056 -5.230 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.472 2.970 -4.274 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.728 1.681 -5.064 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.474 2.724 -3.102 1.00 10.00 C ATOM 0 H LEU A 68 -1.752 5.263 -4.136 1.00 10.00 H new ATOM 0 HA LEU A 68 1.036 5.352 -3.797 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.677 4.175 -6.042 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.975 3.717 -5.677 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.406 3.319 -3.834 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -1.092 0.907 -4.389 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.474 1.869 -5.836 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.200 1.349 -5.530 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.062 1.947 -2.459 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.446 2.405 -3.479 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.591 3.644 -2.530 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.046 7.380 -6.023 1.00 10.00 N ATOM 1064 CA GLU A 69 0.272 8.450 -6.953 1.00 10.00 C ATOM 1065 C GLU A 69 0.182 9.818 -6.262 1.00 10.00 C ATOM 1066 O GLU A 69 0.121 10.848 -6.929 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.632 8.303 -8.194 1.00 10.00 C ATOM 1068 CG GLU A 69 0.157 8.165 -9.507 1.00 10.00 C ATOM 1069 CD GLU A 69 0.474 9.513 -10.136 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -0.469 10.072 -10.738 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.646 9.933 -10.034 1.00 10.00 O ATOM 0 H GLU A 69 -1.008 7.430 -5.688 1.00 10.00 H new ATOM 0 HA GLU A 69 1.305 8.379 -7.294 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.271 7.429 -8.068 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.288 9.171 -8.262 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.086 7.629 -9.315 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.418 7.564 -10.212 1.00 10.00 H new ATOM 1078 N ASN A 70 0.159 9.846 -4.921 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.013 11.071 -4.149 1.00 10.00 C ATOM 1080 C ASN A 70 0.023 10.760 -2.644 1.00 10.00 C ATOM 1081 O ASN A 70 -0.952 10.992 -1.927 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.316 11.786 -4.584 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.046 13.120 -5.273 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.236 13.921 -4.812 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.758 13.399 -6.361 1.00 10.00 N ATOM 0 H ASN A 70 0.260 9.011 -4.345 1.00 10.00 H new ATOM 0 HA ASN A 70 0.812 11.755 -4.348 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.875 11.138 -5.259 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.945 11.953 -3.709 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.638 14.295 -6.833 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.424 12.717 -6.724 1.00 10.00 H new ATOM 1092 N PRO A 71 1.149 10.244 -2.121 1.00 10.00 N ATOM 1093 CA PRO A 71 1.235 9.907 -0.712 1.00 10.00 C ATOM 1094 C PRO A 71 1.198 11.171 0.145 1.00 10.00 C ATOM 1095 O PRO A 71 0.414 11.257 1.091 1.00 10.00 O ATOM 1096 CB PRO A 71 2.518 9.085 -0.549 1.00 10.00 C ATOM 1097 CG PRO A 71 3.371 9.457 -1.766 1.00 10.00 C ATOM 1098 CD PRO A 71 2.355 9.853 -2.837 1.00 10.00 C ATOM 0 HA PRO A 71 0.385 9.317 -0.370 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.029 9.328 0.383 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.304 8.016 -0.526 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.050 10.279 -1.539 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.985 8.618 -2.092 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.731 10.675 -3.446 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.155 9.021 -3.512 1.00 10.00 H new ATOM 1106 N LYS A 72 1.993 12.183 -0.217 1.00 10.00 N ATOM 1107 CA LYS A 72 2.008 13.479 0.452 1.00 10.00 C ATOM 1108 C LYS A 72 0.797 14.331 0.063 1.00 10.00 C ATOM 1109 O LYS A 72 0.950 15.496 -0.300 1.00 10.00 O ATOM 1110 CB LYS A 72 3.337 14.217 0.210 1.00 10.00 C ATOM 1111 CG LYS A 72 3.690 14.614 -1.239 1.00 10.00 C ATOM 1112 CD LYS A 72 4.354 13.487 -2.045 1.00 10.00 C ATOM 1113 CE LYS A 72 5.409 14.010 -3.028 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.813 14.781 -4.137 1.00 10.00 N ATOM 0 H LYS A 72 2.651 12.120 -0.994 1.00 10.00 H new ATOM 0 HA LYS A 72 1.932 13.297 1.524 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.330 15.125 0.813 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.142 13.588 0.590 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.781 14.928 -1.752 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.358 15.475 -1.218 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.820 12.780 -1.359 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.589 12.939 -2.596 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.120 14.639 -2.493 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.971 13.169 -3.435 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.566 15.112 -4.773 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.154 14.175 -4.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.299 15.599 -3.754 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.406 13.759 0.132 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.627 14.478 -0.197 1.00 10.00 C ATOM 1130 C LYS A 73 -2.754 14.128 0.769 1.00 10.00 C ATOM 1131 O LYS A 73 -3.277 15.013 1.439 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.021 14.244 -1.666 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.390 15.590 -2.302 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.359 15.456 -3.482 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.975 16.838 -3.750 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.696 16.895 -5.037 1.00 10.00 N ATOM 0 H LYS A 73 -0.556 12.791 0.416 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.437 15.545 -0.081 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.195 13.784 -2.209 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.864 13.555 -1.725 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.838 16.232 -1.544 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.480 16.085 -2.642 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -2.835 15.095 -4.367 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.139 14.729 -3.254 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.661 17.090 -2.941 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.187 17.591 -3.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.093 17.847 -5.171 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -4.038 16.682 -5.813 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.466 16.196 -5.035 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.124 12.844 0.844 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.189 12.381 1.730 1.00 10.00 C ATOM 1152 C TYR A 74 -3.976 12.883 3.162 1.00 10.00 C ATOM 1153 O TYR A 74 -4.908 13.375 3.792 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.257 10.848 1.723 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.219 10.248 0.716 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.872 10.166 -0.645 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.459 9.739 1.149 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.741 9.538 -1.555 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.294 9.054 0.251 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.949 8.973 -1.107 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.788 8.328 -1.965 1.00 10.00 O ATOM 0 H TYR A 74 -2.693 12.102 0.293 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.131 12.786 1.360 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.259 10.457 1.525 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.541 10.508 2.719 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.939 10.585 -0.991 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.769 9.876 2.175 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -5.480 9.489 -2.602 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.202 8.589 0.606 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.572 8.003 -1.474 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.759 12.708 3.683 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.404 13.089 5.041 1.00 10.00 C ATOM 1173 C ILE A 75 -0.878 13.234 5.114 1.00 10.00 C ATOM 1174 O ILE A 75 -0.172 12.235 4.966 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.968 12.055 6.045 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.673 12.404 7.514 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.492 10.617 5.786 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.337 13.708 7.963 1.00 10.00 C ATOM 0 H ILE A 75 -1.987 12.292 3.162 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.847 14.047 5.313 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.043 12.106 5.874 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.017 11.589 8.151 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.595 12.485 7.653 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.929 9.950 6.529 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.804 10.304 4.790 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.405 10.576 5.855 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.092 13.900 9.008 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -2.974 14.532 7.348 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -4.418 13.622 7.854 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.326 14.441 5.316 1.00 10.00 N ATOM 1191 CA PRO A 76 1.115 14.622 5.431 1.00 10.00 C ATOM 1192 C PRO A 76 1.633 14.160 6.806 1.00 10.00 C ATOM 1193 O PRO A 76 2.228 14.940 7.544 1.00 10.00 O ATOM 1194 CB PRO A 76 1.356 16.104 5.114 1.00 10.00 C ATOM 1195 CG PRO A 76 0.061 16.784 5.554 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.010 15.727 5.284 1.00 10.00 C ATOM 0 HA PRO A 76 1.682 14.002 4.736 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.217 16.494 5.656 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.550 16.260 4.053 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.092 17.063 6.607 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.125 17.697 4.988 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.797 15.769 6.037 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.485 15.892 4.317 1.00 10.00 H new ATOM 1204 N GLY A 77 1.449 12.871 7.126 1.00 10.00 N ATOM 1205 CA GLY A 77 2.090 12.190 8.255 1.00 10.00 C ATOM 1206 C GLY A 77 2.338 10.713 7.931 1.00 10.00 C ATOM 1207 O GLY A 77 2.364 9.877 8.831 1.00 10.00 O ATOM 0 H GLY A 77 0.833 12.259 6.591 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.035 12.679 8.491 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.459 12.272 9.140 1.00 10.00 H new ATOM 1211 N THR A 78 2.520 10.391 6.644 1.00 10.00 N ATOM 1212 CA THR A 78 2.981 9.083 6.189 1.00 10.00 C ATOM 1213 C THR A 78 4.506 9.134 6.049 1.00 10.00 C ATOM 1214 O THR A 78 5.176 9.876 6.765 1.00 10.00 O ATOM 1215 CB THR A 78 2.246 8.707 4.885 1.00 10.00 C ATOM 1216 OG1 THR A 78 2.577 7.405 4.432 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.522 9.686 3.730 1.00 10.00 C ATOM 0 H THR A 78 2.347 11.046 5.881 1.00 10.00 H new ATOM 0 HA THR A 78 2.748 8.296 6.906 1.00 10.00 H new ATOM 0 HB THR A 78 1.190 8.753 5.152 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.776 6.970 4.073 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.976 9.365 2.843 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.196 10.686 4.015 1.00 10.00 H new ATOM 0 HG23 THR A 78 3.590 9.701 3.513 1.00 10.00 H new ATOM 1225 N LYS A 79 5.052 8.377 5.097 1.00 10.00 N ATOM 1226 CA LYS A 79 6.467 8.354 4.767 1.00 10.00 C ATOM 1227 C LYS A 79 6.608 8.452 3.250 1.00 10.00 C ATOM 1228 O LYS A 79 7.070 7.527 2.585 1.00 10.00 O ATOM 1229 CB LYS A 79 7.096 7.105 5.395 1.00 10.00 C ATOM 1230 CG LYS A 79 6.657 5.793 4.722 1.00 10.00 C ATOM 1231 CD LYS A 79 6.240 4.693 5.700 1.00 10.00 C ATOM 1232 CE LYS A 79 7.389 4.156 6.566 1.00 10.00 C ATOM 1233 NZ LYS A 79 7.822 5.104 7.612 1.00 10.00 N ATOM 0 H LYS A 79 4.499 7.744 4.519 1.00 10.00 H new ATOM 0 HA LYS A 79 7.012 9.203 5.180 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.181 7.187 5.339 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.833 7.068 6.452 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.823 6.003 4.052 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.476 5.423 4.105 1.00 10.00 H new ATOM 0 HD2 LYS A 79 5.457 5.079 6.353 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.806 3.866 5.137 1.00 10.00 H new ATOM 0 HE2 LYS A 79 7.076 3.224 7.037 1.00 10.00 H new ATOM 0 HE3 LYS A 79 8.238 3.919 5.925 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 8.276 4.581 8.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 8.500 5.781 7.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 6.996 5.619 7.978 1.00 10.00 H new ATOM 1247 N MET A 80 6.140 9.572 2.696 1.00 10.00 N ATOM 1248 CA MET A 80 6.206 9.815 1.266 1.00 10.00 C ATOM 1249 C MET A 80 7.640 9.655 0.766 1.00 10.00 C ATOM 1250 O MET A 80 8.580 9.848 1.538 1.00 10.00 O ATOM 1251 CB MET A 80 5.662 11.213 0.956 1.00 10.00 C ATOM 1252 CG MET A 80 6.680 12.333 1.237 1.00 10.00 C ATOM 1253 SD MET A 80 7.787 12.715 -0.152 1.00 10.00 S ATOM 1254 CE MET A 80 9.003 13.752 0.684 1.00 10.00 C ATOM 0 H MET A 80 5.708 10.328 3.228 1.00 10.00 H new ATOM 0 HA MET A 80 5.590 9.082 0.745 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.363 11.256 -0.091 1.00 10.00 H new ATOM 0 HB3 MET A 80 4.765 11.388 1.551 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.138 13.238 1.512 1.00 10.00 H new ATOM 0 HG3 MET A 80 7.284 12.049 2.099 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.760 14.074 -0.031 1.00 10.00 H new ATOM 0 HE2 MET A 80 8.507 14.626 1.106 1.00 10.00 H new ATOM 0 HE3 MET A 80 9.478 13.183 1.483 1.00 10.00 H new ATOM 1264 N ILE A 81 7.802 9.347 -0.525 1.00 10.00 N ATOM 1265 CA ILE A 81 9.130 9.240 -1.104 1.00 10.00 C ATOM 1266 C ILE A 81 9.249 9.839 -2.503 1.00 10.00 C ATOM 1267 O ILE A 81 10.218 10.538 -2.788 1.00 10.00 O ATOM 1268 CB ILE A 81 9.640 7.778 -1.054 1.00 10.00 C ATOM 1269 CG1 ILE A 81 8.570 6.780 -1.549 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.097 7.393 0.361 1.00 10.00 C ATOM 1271 CD1 ILE A 81 9.080 5.342 -1.673 1.00 10.00 C ATOM 0 H ILE A 81 7.036 9.171 -1.175 1.00 10.00 H new ATOM 0 HA ILE A 81 9.781 9.853 -0.481 1.00 10.00 H new ATOM 0 HB ILE A 81 10.496 7.722 -1.726 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.724 6.798 -0.862 1.00 10.00 H new ATOM 0 HG13 ILE A 81 8.200 7.110 -2.520 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.449 6.361 0.362 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.906 8.053 0.674 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.261 7.491 1.053 1.00 10.00 H new ATOM 0 HD11 ILE A 81 8.274 4.699 -2.026 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.907 5.309 -2.383 1.00 10.00 H new ATOM 0 HD13 ILE A 81 9.423 4.992 -0.699 1.00 10.00 H new ATOM 1283 N PHE A 82 8.286 9.570 -3.383 1.00 10.00 N ATOM 1284 CA PHE A 82 8.289 10.056 -4.752 1.00 10.00 C ATOM 1285 C PHE A 82 6.928 10.676 -5.057 1.00 10.00 C ATOM 1286 O PHE A 82 6.037 10.670 -4.207 1.00 10.00 O ATOM 1287 CB PHE A 82 8.679 8.905 -5.697 1.00 10.00 C ATOM 1288 CG PHE A 82 7.997 7.565 -5.455 1.00 10.00 C ATOM 1289 CD1 PHE A 82 6.596 7.447 -5.542 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.771 6.411 -5.219 1.00 10.00 C ATOM 1291 CE1 PHE A 82 5.977 6.191 -5.433 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.151 5.154 -5.096 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.755 5.042 -5.218 1.00 10.00 C ATOM 0 H PHE A 82 7.472 8.999 -3.156 1.00 10.00 H new ATOM 0 HA PHE A 82 9.032 10.840 -4.901 1.00 10.00 H new ATOM 0 HB2 PHE A 82 8.466 9.216 -6.720 1.00 10.00 H new ATOM 0 HB3 PHE A 82 9.757 8.757 -5.627 1.00 10.00 H new ATOM 0 HD1 PHE A 82 5.993 8.330 -5.694 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.844 6.492 -5.132 1.00 10.00 H new ATOM 0 HE1 PHE A 82 4.903 6.109 -5.515 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.748 4.274 -4.908 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.282 4.074 -5.146 1.00 10.00 H new ATOM 1303 N ALA A 83 6.765 11.224 -6.265 1.00 10.00 N ATOM 1304 CA ALA A 83 5.486 11.750 -6.717 1.00 10.00 C ATOM 1305 C ALA A 83 4.457 10.622 -6.765 1.00 10.00 C ATOM 1306 O ALA A 83 3.456 10.661 -6.052 1.00 10.00 O ATOM 1307 CB ALA A 83 5.651 12.417 -8.085 1.00 10.00 C ATOM 0 H ALA A 83 7.516 11.312 -6.950 1.00 10.00 H new ATOM 0 HA ALA A 83 5.129 12.506 -6.018 1.00 10.00 H new ATOM 0 HB1 ALA A 83 4.690 12.808 -8.417 1.00 10.00 H new ATOM 0 HB2 ALA A 83 6.368 13.234 -8.007 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.013 11.684 -8.806 1.00 10.00 H new ATOM 1313 N GLY A 84 4.743 9.608 -7.580 1.00 10.00 N ATOM 1314 CA GLY A 84 3.892 8.453 -7.755 1.00 10.00 C ATOM 1315 C GLY A 84 4.664 7.359 -8.472 1.00 10.00 C ATOM 1316 O GLY A 84 5.847 7.541 -8.754 1.00 10.00 O ATOM 0 H GLY A 84 5.592 9.575 -8.144 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.546 8.093 -6.786 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.006 8.724 -8.330 1.00 10.00 H new ATOM 1320 N ILE A 85 3.991 6.240 -8.757 1.00 10.00 N ATOM 1321 CA ILE A 85 4.551 5.096 -9.468 1.00 10.00 C ATOM 1322 C ILE A 85 5.212 5.530 -10.779 1.00 10.00 C ATOM 1323 O ILE A 85 6.433 5.662 -10.841 1.00 10.00 O ATOM 1324 CB ILE A 85 3.459 4.013 -9.628 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.297 3.216 -8.348 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.620 3.029 -10.800 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.524 2.376 -8.034 1.00 10.00 C ATOM 0 H ILE A 85 3.016 6.105 -8.491 1.00 10.00 H new ATOM 0 HA ILE A 85 5.358 4.646 -8.889 1.00 10.00 H new ATOM 0 HB ILE A 85 2.571 4.599 -9.863 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.104 3.898 -7.520 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.426 2.566 -8.435 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.790 2.323 -10.799 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.626 3.581 -11.740 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.559 2.485 -10.692 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.360 1.824 -7.109 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.703 1.674 -8.849 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.391 3.027 -7.919 1.00 10.00 H new ATOM 1339 N LYS A 86 4.421 5.684 -11.843 1.00 10.00 N ATOM 1340 CA LYS A 86 4.897 6.118 -13.153 1.00 10.00 C ATOM 1341 C LYS A 86 3.902 7.068 -13.819 1.00 10.00 C ATOM 1342 O LYS A 86 4.260 8.167 -14.230 1.00 10.00 O ATOM 1343 CB LYS A 86 5.151 4.917 -14.078 1.00 10.00 C ATOM 1344 CG LYS A 86 5.882 3.744 -13.410 1.00 10.00 C ATOM 1345 CD LYS A 86 6.803 3.077 -14.426 1.00 10.00 C ATOM 1346 CE LYS A 86 8.188 3.744 -14.377 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.884 3.698 -15.678 1.00 10.00 N ATOM 0 H LYS A 86 3.417 5.507 -11.816 1.00 10.00 H new ATOM 0 HA LYS A 86 5.836 6.647 -12.991 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.195 4.562 -14.462 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.735 5.252 -14.936 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.460 4.100 -12.557 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.161 3.022 -13.027 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.892 2.013 -14.208 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.381 3.163 -15.427 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.077 4.782 -14.065 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.800 3.248 -13.623 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.812 4.160 -15.592 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.016 2.708 -15.966 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.315 4.194 -16.394 1.00 10.00 H new ATOM 1361 N LYS A 87 2.667 6.592 -13.986 1.00 10.00 N ATOM 1362 CA LYS A 87 1.582 7.262 -14.676 1.00 10.00 C ATOM 1363 C LYS A 87 0.289 6.548 -14.261 1.00 10.00 C ATOM 1364 O LYS A 87 0.146 6.210 -13.089 1.00 10.00 O ATOM 1365 CB LYS A 87 1.859 7.299 -16.189 1.00 10.00 C ATOM 1366 CG LYS A 87 2.194 5.928 -16.802 1.00 10.00 C ATOM 1367 CD LYS A 87 2.440 6.001 -18.316 1.00 10.00 C ATOM 1368 CE LYS A 87 1.268 6.649 -19.068 1.00 10.00 C ATOM 1369 NZ LYS A 87 1.334 6.397 -20.523 1.00 10.00 N ATOM 0 H LYS A 87 2.390 5.680 -13.622 1.00 10.00 H new ATOM 0 HA LYS A 87 1.483 8.312 -14.401 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.986 7.708 -16.697 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.687 7.982 -16.379 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.080 5.522 -16.313 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.376 5.236 -16.604 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.350 6.570 -18.507 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.606 4.996 -18.704 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.328 6.262 -18.676 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.271 7.724 -18.886 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.524 6.852 -20.991 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.219 6.789 -20.903 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 1.305 5.373 -20.700 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.618 6.255 -15.200 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.902 5.623 -14.904 1.00 10.00 C ATOM 1385 C LYS A 88 -1.845 4.108 -15.109 1.00 10.00 C ATOM 1386 O LYS A 88 -2.482 3.358 -14.379 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.050 6.300 -15.676 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.141 5.941 -17.169 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.407 6.514 -17.828 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.358 8.042 -17.995 1.00 10.00 C ATOM 1391 NZ LYS A 88 -5.569 8.566 -18.664 1.00 10.00 N ATOM 0 H LYS A 88 -0.478 6.452 -16.191 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.117 5.772 -13.846 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.993 6.035 -15.198 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.939 7.381 -15.585 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.260 6.321 -17.687 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.134 4.857 -17.281 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.542 6.051 -18.806 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.276 6.247 -17.226 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.253 8.510 -17.016 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.477 8.315 -18.575 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -5.495 9.599 -18.757 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.656 8.139 -19.608 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.409 8.328 -18.098 1.00 10.00 H new ATOM 1405 N THR A 89 -1.092 3.661 -16.114 1.00 10.00 N ATOM 1406 CA THR A 89 -1.020 2.266 -16.506 1.00 10.00 C ATOM 1407 C THR A 89 -0.328 1.441 -15.425 1.00 10.00 C ATOM 1408 O THR A 89 -0.946 0.596 -14.787 1.00 10.00 O ATOM 1409 CB THR A 89 -0.282 2.214 -17.852 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.870 3.177 -18.712 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.357 0.819 -18.477 1.00 10.00 C ATOM 0 H THR A 89 -0.508 4.273 -16.684 1.00 10.00 H new ATOM 0 HA THR A 89 -2.013 1.831 -16.621 1.00 10.00 H new ATOM 0 HB THR A 89 0.774 2.436 -17.697 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.413 3.164 -19.579 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.175 0.817 -19.428 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.100 0.094 -17.804 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.400 0.551 -18.644 1.00 10.00 H new ATOM 1419 N GLU A 90 0.955 1.712 -15.185 1.00 10.00 N ATOM 1420 CA GLU A 90 1.741 0.913 -14.269 1.00 10.00 C ATOM 1421 C GLU A 90 1.090 0.794 -12.885 1.00 10.00 C ATOM 1422 O GLU A 90 1.111 -0.282 -12.295 1.00 10.00 O ATOM 1423 CB GLU A 90 3.151 1.501 -14.162 1.00 10.00 C ATOM 1424 CG GLU A 90 4.238 0.599 -14.794 1.00 10.00 C ATOM 1425 CD GLU A 90 4.753 0.990 -16.172 1.00 10.00 C ATOM 1426 OE1 GLU A 90 4.395 2.097 -16.635 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.558 0.178 -16.698 1.00 10.00 O ATOM 0 H GLU A 90 1.465 2.482 -15.617 1.00 10.00 H new ATOM 0 HA GLU A 90 1.796 -0.099 -14.669 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.169 2.476 -14.649 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.390 1.665 -13.111 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.088 0.567 -14.113 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.841 -0.414 -14.857 1.00 10.00 H new ATOM 1434 N ARG A 91 0.529 1.881 -12.340 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.157 1.800 -11.061 1.00 10.00 C ATOM 1436 C ARG A 91 -1.277 0.753 -11.125 1.00 10.00 C ATOM 1437 O ARG A 91 -1.383 -0.115 -10.260 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.653 3.186 -10.620 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.662 3.854 -11.559 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.302 5.137 -11.013 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.606 5.351 -11.665 1.00 10.00 N ATOM 1442 CZ ARG A 91 -4.329 6.481 -11.664 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.852 7.596 -11.099 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -5.532 6.483 -12.252 1.00 10.00 N ATOM 0 H ARG A 91 0.540 2.809 -12.763 1.00 10.00 H new ATOM 0 HA ARG A 91 0.544 1.468 -10.295 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.107 3.093 -9.633 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.209 3.844 -10.513 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.162 4.086 -12.499 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.453 3.139 -11.786 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.431 5.061 -9.933 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.647 5.989 -11.196 1.00 10.00 H new ATOM 0 HE ARG A 91 -4.000 4.557 -12.170 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.930 7.593 -10.663 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -4.411 8.449 -11.104 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -5.886 5.634 -12.692 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -6.094 7.334 -12.260 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.082 0.808 -12.185 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.191 -0.111 -12.400 1.00 10.00 C ATOM 1460 C GLU A 92 -2.666 -1.542 -12.525 1.00 10.00 C ATOM 1461 O GLU A 92 -3.235 -2.485 -11.968 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.967 0.324 -13.654 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.020 1.399 -13.350 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.420 0.904 -13.684 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.680 0.744 -14.896 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -7.189 0.674 -12.730 1.00 10.00 O ATOM 0 H GLU A 92 -1.978 1.502 -12.926 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.872 -0.086 -11.549 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.266 0.706 -14.397 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -4.456 -0.545 -14.094 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.970 1.674 -12.296 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -4.802 2.299 -13.925 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.559 -1.705 -13.248 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.919 -3.005 -13.406 1.00 10.00 C ATOM 1475 C ASP A 93 -0.509 -3.523 -12.025 1.00 10.00 C ATOM 1476 O ASP A 93 -0.776 -4.670 -11.677 1.00 10.00 O ATOM 1477 CB ASP A 93 0.265 -2.911 -14.375 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.148 -2.608 -15.811 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.280 -2.996 -16.182 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.686 -2.008 -16.521 1.00 10.00 O ATOM 0 H ASP A 93 -1.086 -0.945 -13.736 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.616 -3.718 -13.845 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.946 -2.134 -14.029 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.817 -3.851 -14.354 1.00 10.00 H new ATOM 1485 N LEU A 94 0.078 -2.654 -11.199 1.00 10.00 N ATOM 1486 CA LEU A 94 0.381 -2.949 -9.804 1.00 10.00 C ATOM 1487 C LEU A 94 -0.845 -3.546 -9.110 1.00 10.00 C ATOM 1488 O LEU A 94 -0.777 -4.669 -8.603 1.00 10.00 O ATOM 1489 CB LEU A 94 0.887 -1.678 -9.093 1.00 10.00 C ATOM 1490 CG LEU A 94 2.076 -1.950 -8.169 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.757 -0.646 -7.772 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.700 -2.720 -6.916 1.00 10.00 C ATOM 0 H LEU A 94 0.358 -1.716 -11.487 1.00 10.00 H new ATOM 0 HA LEU A 94 1.176 -3.693 -9.755 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.175 -0.939 -9.841 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.073 -1.243 -8.512 1.00 10.00 H new ATOM 0 HG LEU A 94 2.762 -2.575 -8.741 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.600 -0.861 -7.115 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.115 -0.136 -8.666 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.044 -0.007 -7.250 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.589 -2.879 -6.306 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.966 -2.151 -6.346 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.275 -3.684 -7.195 1.00 10.00 H new ATOM 1504 N ILE A 95 -1.965 -2.809 -9.108 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.210 -3.270 -8.500 1.00 10.00 C ATOM 1506 C ILE A 95 -3.563 -4.666 -8.995 1.00 10.00 C ATOM 1507 O ILE A 95 -3.983 -5.497 -8.197 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.373 -2.287 -8.754 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.392 -1.177 -7.698 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.750 -2.978 -8.702 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.213 -0.214 -7.767 1.00 10.00 C ATOM 0 H ILE A 95 -2.028 -1.881 -9.527 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.052 -3.312 -7.422 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.202 -1.882 -9.751 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.315 -0.608 -7.805 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.412 -1.635 -6.709 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.533 -2.243 -8.887 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.796 -3.756 -9.464 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -5.896 -3.424 -7.718 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.310 0.537 -6.983 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.284 -0.766 -7.627 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.201 0.277 -8.740 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.431 -4.919 -10.297 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.754 -6.222 -10.863 1.00 10.00 C ATOM 1525 C ALA A 96 -3.086 -7.354 -10.089 1.00 10.00 C ATOM 1526 O ALA A 96 -3.762 -8.287 -9.654 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.339 -6.281 -12.324 1.00 10.00 C ATOM 0 H ALA A 96 -3.102 -4.235 -10.978 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.833 -6.353 -10.787 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.587 -7.260 -12.733 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -3.868 -5.510 -12.884 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.265 -6.115 -12.404 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.764 -7.272 -9.907 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.077 -8.259 -9.092 1.00 10.00 C ATOM 1535 C TYR A 97 -1.622 -8.200 -7.681 1.00 10.00 C ATOM 1536 O TYR A 97 -2.100 -9.205 -7.162 1.00 10.00 O ATOM 1537 CB TYR A 97 0.433 -8.035 -9.057 1.00 10.00 C ATOM 1538 CG TYR A 97 1.165 -9.037 -8.178 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.073 -10.413 -8.464 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.940 -8.608 -7.082 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.779 -11.347 -7.690 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.722 -9.537 -6.369 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.625 -10.908 -6.660 1.00 10.00 C ATOM 1544 OH TYR A 97 3.475 -11.801 -6.076 1.00 10.00 O ATOM 0 H TYR A 97 -1.166 -6.548 -10.306 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.253 -9.238 -9.538 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.827 -8.095 -10.072 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.636 -7.027 -8.695 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.456 -10.751 -9.283 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.934 -7.568 -6.789 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.671 -12.403 -7.887 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.397 -9.195 -5.598 1.00 10.00 H new ATOM 0 HH TYR A 97 3.997 -11.349 -5.381 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.512 -7.018 -7.071 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.867 -6.780 -5.690 1.00 10.00 C ATOM 1556 C LEU A 98 -3.180 -7.463 -5.317 1.00 10.00 C ATOM 1557 O LEU A 98 -3.201 -8.199 -4.340 1.00 10.00 O ATOM 1558 CB LEU A 98 -1.852 -5.269 -5.399 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.001 -4.924 -4.169 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.067 -3.891 -4.501 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.840 -4.406 -3.008 1.00 10.00 C ATOM 0 H LEU A 98 -1.163 -6.185 -7.545 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.118 -7.238 -5.044 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.464 -4.737 -6.268 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -2.873 -4.921 -5.242 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.526 -5.857 -3.867 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.650 -3.671 -3.607 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.725 -4.284 -5.276 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.409 -2.978 -4.858 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.190 -4.177 -2.163 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.368 -3.503 -3.315 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.563 -5.167 -2.714 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.253 -7.270 -6.088 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.527 -7.951 -5.896 1.00 10.00 C ATOM 1575 C LYS A 99 -5.330 -9.437 -5.598 1.00 10.00 C ATOM 1576 O LYS A 99 -5.713 -9.906 -4.527 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.447 -7.746 -7.113 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.419 -6.580 -6.894 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.570 -6.632 -7.911 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.603 -5.561 -7.536 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.854 -5.628 -8.315 1.00 10.00 N ATOM 0 H LYS A 99 -4.256 -6.623 -6.877 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.012 -7.507 -5.027 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.842 -7.555 -7.999 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.010 -8.660 -7.302 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.820 -6.620 -5.881 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.886 -5.634 -6.989 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.193 -6.457 -8.919 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.031 -7.620 -7.910 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.842 -5.658 -6.477 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -9.155 -4.577 -7.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -11.259 -4.674 -8.404 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.653 -6.009 -9.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -11.533 -6.249 -7.829 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.734 -10.182 -6.530 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.565 -11.602 -6.354 1.00 10.00 C ATOM 1597 C LYS A 100 -3.586 -11.862 -5.209 1.00 10.00 C ATOM 1598 O LYS A 100 -3.861 -12.691 -4.350 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.122 -12.229 -7.683 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.820 -13.714 -7.463 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.498 -14.663 -8.456 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.829 -14.658 -9.835 1.00 10.00 C ATOM 1603 NZ LYS A 100 -4.403 -15.700 -10.711 1.00 10.00 N ATOM 0 H LYS A 100 -4.365 -9.815 -7.408 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.507 -12.074 -6.076 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.904 -12.112 -8.433 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.237 -11.718 -8.063 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.742 -13.863 -7.519 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.128 -13.987 -6.454 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.481 -15.676 -8.053 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.545 -14.380 -8.564 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -3.954 -13.680 -10.299 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -2.757 -14.823 -9.723 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.931 -15.673 -11.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -4.262 -16.635 -10.277 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.421 -15.527 -10.836 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.445 -11.176 -5.206 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.356 -11.435 -4.278 1.00 10.00 C ATOM 1619 C ALA A 101 -1.842 -11.316 -2.835 1.00 10.00 C ATOM 1620 O ALA A 101 -1.600 -12.179 -1.996 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.223 -10.449 -4.560 1.00 10.00 C ATOM 0 H ALA A 101 -2.252 -10.416 -5.858 1.00 10.00 H new ATOM 0 HA ALA A 101 -0.988 -12.452 -4.416 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.600 -10.634 -3.870 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.126 -10.579 -5.584 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.586 -9.430 -4.427 1.00 10.00 H new ATOM 1627 N THR A 102 -2.546 -10.222 -2.552 1.00 10.00 N ATOM 1628 CA THR A 102 -3.053 -9.955 -1.225 1.00 10.00 C ATOM 1629 C THR A 102 -4.155 -10.932 -0.829 1.00 10.00 C ATOM 1630 O THR A 102 -4.229 -11.312 0.337 1.00 10.00 O ATOM 1631 CB THR A 102 -3.549 -8.512 -1.100 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.567 -8.260 -2.040 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.420 -7.494 -1.248 1.00 10.00 C ATOM 0 H THR A 102 -2.776 -9.504 -3.239 1.00 10.00 H new ATOM 0 HA THR A 102 -2.221 -10.095 -0.535 1.00 10.00 H new ATOM 0 HB THR A 102 -3.954 -8.397 -0.094 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.186 -8.262 -2.943 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.824 -6.486 -1.152 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.674 -7.662 -0.471 1.00 10.00 H new ATOM 0 HG23 THR A 102 -1.955 -7.606 -2.227 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.028 -11.286 -1.779 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.099 -12.249 -1.559 1.00 10.00 C ATOM 1643 C ASN A 103 -5.504 -13.611 -1.192 1.00 10.00 C ATOM 1644 O ASN A 103 -5.814 -14.146 -0.130 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.990 -12.296 -2.809 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.273 -13.100 -2.613 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.286 -14.163 -2.010 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.391 -12.590 -3.125 1.00 10.00 N ATOM 0 H ASN A 103 -5.006 -10.907 -2.726 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.728 -11.949 -0.720 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.250 -11.278 -3.099 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.423 -12.727 -3.634 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.275 -13.087 -3.017 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.364 -11.702 -3.626 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.607 -14.102 -2.051 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.923 -15.380 -1.955 1.00 10.00 C ATOM 1657 C GLU A 104 -4.944 -16.522 -1.822 1.00 10.00 C ATOM 1658 O GLU A 104 -5.713 -16.682 -2.799 1.00 10.00 O ATOM 1659 CB GLU A 104 -2.816 -15.305 -0.883 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.404 -15.600 -1.418 1.00 10.00 C ATOM 1661 CD GLU A 104 -1.182 -17.070 -1.757 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -0.961 -17.845 -0.800 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -1.171 -17.380 -2.969 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.961 -17.209 -0.776 1.00 10.00 O ATOM 0 H GLU A 104 -4.326 -13.580 -2.881 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.387 -15.618 -2.874 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -2.824 -14.311 -0.437 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.047 -16.013 -0.087 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.228 -14.998 -2.310 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -0.669 -15.291 -0.674 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.352 5.263 0.736 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.699 3.982 0.514 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.034 3.152 1.331 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.204 3.977 2.097 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.414 5.280 1.744 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.719 6.078 0.244 1.00 10.00 H new HETATM 0 H5 IMD A 105 1.934 6.159 2.175 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.501 3.634 2.856 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.426 3.661 -0.232 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.229 1.193 1.485 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.700 1.391 3.727 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.096 0.183 -0.950 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.768 1.450 -0.823 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.533 1.375 3.989 1.00 10.00 C HETATM 1686 NA HEC A 110 1.280 0.877 1.393 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.416 1.039 2.433 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.920 0.773 1.959 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.815 0.426 0.633 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.594 0.466 0.300 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.970 0.236 -0.328 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.188 0.887 2.782 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.465 -0.239 3.804 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.224 -0.933 4.385 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.975 -0.723 5.595 1.00 10.00 O HETATM 1696 O2A HEC A 110 -0.519 -1.619 3.611 1.00 10.00 O HETATM 1697 NB HEC A 110 3.401 0.892 -0.495 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.409 0.412 -1.285 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.958 0.162 -2.600 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.257 0.616 -2.588 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.529 1.047 -1.238 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.256 -0.512 -3.759 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.239 0.597 -3.749 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.641 1.236 -5.012 1.00 10.00 C HETATM 1705 NC HEC A 110 5.263 1.433 1.560 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.093 1.520 0.498 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.457 1.577 0.963 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.405 1.493 2.337 1.00 10.00 C HETATM 1709 C4C HEC A 110 5.998 1.433 2.695 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.688 1.564 0.076 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.570 1.314 3.300 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.861 2.122 3.074 1.00 10.00 C HETATM 1713 ND HEC A 110 3.135 1.357 3.476 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.197 1.413 4.305 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.705 1.544 5.655 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.344 1.667 5.581 1.00 10.00 C HETATM 1717 C4D HEC A 110 1.981 1.459 4.198 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.514 1.659 6.922 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.451 2.075 6.730 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.753 3.491 7.251 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.797 4.558 6.144 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.094 4.372 5.130 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.552 5.546 6.304 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.137 0.772 7.037 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.148 2.544 6.870 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 3.842 1.744 7.776 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.705 0.644 -0.509 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.661 2.421 -0.597 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.583 1.617 0.695 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.969 -1.524 -3.472 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.365 0.056 -4.025 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.928 -0.555 -4.616 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.622 -0.557 0.039 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.536 1.164 -0.405 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.585 -0.036 -1.311 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.994 3.769 7.982 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.710 3.481 7.773 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.277 1.878 2.097 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.635 3.188 3.116 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.586 1.874 3.849 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.748 0.686 -5.310 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.376 2.273 -4.805 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.374 1.203 -5.818 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -3.044 0.178 4.628 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -3.089 -0.993 3.325 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.410 2.026 6.410 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.568 1.361 7.545 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.158 1.834 3.321 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -3.034 0.937 2.096 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.258 1.295 4.799 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.515 1.722 -1.569 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.428 -0.238 -1.701 1.00 10.00 H new HETATM 0 HHA HEC A 110 -0.123 1.624 4.402 1.00 10.00 H new HETATM 0 H2D HEC A 110 2.350 6.225 5.627 1.00 10.00 H new HETATM 0 H2A HEC A 110 0.258 -1.965 4.097 1.00 10.00 H new