USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 CYS SG : rot 101:sc= 0.965 USER MOD Set 1.2: A 90 CYS SG : rot 32:sc= -0.15 USER MOD Set 2.1: A 62 CYS SG : rot 170:sc= 1.12 USER MOD Set 2.2: A 76 CYS SG : rot -56:sc= 0.757 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0.495 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -145:sc= 0.605 (180deg=-0.00301) USER MOD Set 4.1: A 44 ASN : amide:sc= 0.993 X(o=2,f=1.7) USER MOD Set 4.2: A 48 SER OG : rot 163:sc= 0.714 USER MOD Set 4.3: A 57 ASN :FLIP amide:sc= 0.257 X(o=1.7,f=2) USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0.664 USER MOD Set 5.2: A 49 LYS NZ :NH3+ 169:sc= 0.742 (180deg=0) USER MOD Set 6.1: A 28 CYS SG : rot -88:sc= 0.793 USER MOD Set 6.2: A 110 CYS SG : rot 67:sc= 0.0631 USER MOD Set 7.1: A 1 GLY N :NH3+ -175:sc= 0.511 (180deg=0.295) USER MOD Set 7.2: A 39 SER OG : rot 180:sc= 0.24 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -41:sc= 0.391 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.09 (180deg=0.972) USER MOD Single : A 16 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-2) USER MOD Single : A 21 ASN : amide:sc= 0.0176 K(o=0.018,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.179 (180deg=-3.9!) USER MOD Single : A 25 ASN : amide:sc= 0.67 K(o=0.67,f=-3.5!) USER MOD Single : A 32 HIS : no HD1:sc= -2.98! C(o=-3!,f=-7.4!) USER MOD Single : A 34 SER OG : rot -118:sc= 1.12 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 158:sc= 0.954 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0.857 (180deg=0.754) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.949 K(o=0.95,f=-0.71) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.205) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0402 K(o=-0.04,f=-0.86) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.952) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -86:sc= 0.97 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 0.863 (180deg=0.817) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : A 108 ASN : amide:sc= 0.994 K(o=0.99,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 1.39 K(o=1.4,f=-0.017) USER MOD Single : A 113 SER OG : rot 42:sc= 0.746 USER MOD Single : A 118 SER OG : rot 74:sc= 1.25 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 CYS SG : rot 180:sc= -0.257 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.727 -7.865 10.131 1.00 0.00 N ATOM 2 CA GLY A 1 -8.029 -7.247 8.825 1.00 0.00 C ATOM 3 C GLY A 1 -8.802 -8.184 7.914 1.00 0.00 C ATOM 4 O GLY A 1 -9.563 -9.030 8.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.274 -7.163 10.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.609 -8.197 10.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.084 -8.671 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.606 -6.336 8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.098 -6.956 8.339 1.00 0.00 H new ATOM 10 N LYS A 2 -8.616 -8.036 6.599 1.00 0.00 N ATOM 11 CA LYS A 2 -9.272 -8.810 5.537 1.00 0.00 C ATOM 12 C LYS A 2 -8.480 -8.794 4.212 1.00 0.00 C ATOM 13 O LYS A 2 -7.595 -7.952 4.013 1.00 0.00 O ATOM 14 CB LYS A 2 -10.716 -8.296 5.341 1.00 0.00 C ATOM 15 CG LYS A 2 -10.795 -6.903 4.684 1.00 0.00 C ATOM 16 CD LYS A 2 -12.235 -6.426 4.456 1.00 0.00 C ATOM 17 CE LYS A 2 -12.956 -7.261 3.387 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.323 -6.743 3.116 1.00 0.00 N ATOM 0 H LYS A 2 -7.972 -7.339 6.226 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.302 -9.853 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.266 -9.009 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.214 -8.260 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.275 -6.181 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.271 -6.928 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.788 -6.482 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.226 -5.379 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.374 -7.253 2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.018 -8.298 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.779 -7.331 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.886 -6.774 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.262 -5.761 2.778 1.00 0.00 H new ATOM 32 N THR A 3 -8.856 -9.685 3.284 1.00 0.00 N ATOM 33 CA THR A 3 -8.267 -9.807 1.939 1.00 0.00 C ATOM 34 C THR A 3 -9.265 -9.355 0.875 1.00 0.00 C ATOM 35 O THR A 3 -10.445 -9.700 0.946 1.00 0.00 O ATOM 36 CB THR A 3 -7.797 -11.243 1.666 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.176 -11.798 2.807 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.799 -11.288 0.508 1.00 0.00 C ATOM 0 H THR A 3 -9.600 -10.362 3.452 1.00 0.00 H new ATOM 0 HA THR A 3 -7.394 -9.156 1.894 1.00 0.00 H new ATOM 0 HB THR A 3 -8.684 -11.822 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.612 -11.120 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.484 -12.318 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.271 -10.900 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.929 -10.679 0.753 1.00 0.00 H new ATOM 46 N PHE A 4 -8.786 -8.594 -0.110 1.00 0.00 N ATOM 47 CA PHE A 4 -9.562 -8.057 -1.234 1.00 0.00 C ATOM 48 C PHE A 4 -9.307 -8.855 -2.524 1.00 0.00 C ATOM 49 O PHE A 4 -8.276 -9.519 -2.675 1.00 0.00 O ATOM 50 CB PHE A 4 -9.214 -6.561 -1.438 1.00 0.00 C ATOM 51 CG PHE A 4 -9.654 -5.650 -0.294 1.00 0.00 C ATOM 52 CD1 PHE A 4 -8.968 -5.650 0.940 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.788 -4.824 -0.447 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.449 -4.888 2.018 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.265 -4.060 0.633 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.605 -4.104 1.871 1.00 0.00 C ATOM 0 H PHE A 4 -7.804 -8.322 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.622 -8.150 -0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.136 -6.466 -1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.679 -6.215 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.070 -6.238 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.293 -4.778 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.928 -4.905 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.140 -3.439 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.985 -3.537 2.708 1.00 0.00 H new ATOM 66 N THR A 5 -10.236 -8.742 -3.479 1.00 0.00 N ATOM 67 CA THR A 5 -10.080 -9.182 -4.879 1.00 0.00 C ATOM 68 C THR A 5 -9.781 -7.956 -5.736 1.00 0.00 C ATOM 69 O THR A 5 -9.989 -6.833 -5.277 1.00 0.00 O ATOM 70 CB THR A 5 -11.304 -9.980 -5.345 1.00 0.00 C ATOM 71 OG1 THR A 5 -10.989 -10.545 -6.596 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.579 -9.146 -5.495 1.00 0.00 C ATOM 0 H THR A 5 -11.150 -8.328 -3.297 1.00 0.00 H new ATOM 0 HA THR A 5 -9.241 -9.871 -4.977 1.00 0.00 H new ATOM 0 HB THR A 5 -11.516 -10.726 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.753 -11.065 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.396 -9.787 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.836 -8.699 -4.535 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.414 -8.358 -6.229 1.00 0.00 H new ATOM 80 N ARG A 6 -9.283 -8.131 -6.963 1.00 0.00 N ATOM 81 CA ARG A 6 -8.819 -7.009 -7.795 1.00 0.00 C ATOM 82 C ARG A 6 -9.928 -5.976 -8.038 1.00 0.00 C ATOM 83 O ARG A 6 -9.720 -4.793 -7.780 1.00 0.00 O ATOM 84 CB ARG A 6 -8.208 -7.531 -9.103 1.00 0.00 C ATOM 85 CG ARG A 6 -7.477 -6.409 -9.865 1.00 0.00 C ATOM 86 CD ARG A 6 -6.754 -6.932 -11.110 1.00 0.00 C ATOM 87 NE ARG A 6 -5.660 -7.852 -10.750 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.290 -8.959 -11.380 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.917 -9.414 -12.446 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.253 -9.624 -10.933 1.00 0.00 N ATOM 0 H ARG A 6 -9.189 -9.044 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.035 -6.483 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.510 -8.339 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.993 -7.949 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.195 -5.644 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.756 -5.932 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.465 -7.446 -11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.354 -6.093 -11.679 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.124 -7.608 -9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.722 -8.910 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.598 -10.270 -12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.746 -9.288 -10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.953 -10.478 -11.404 1.00 0.00 H new ATOM 104 N CYS A 7 -11.131 -6.407 -8.429 1.00 0.00 N ATOM 105 CA CYS A 7 -12.283 -5.508 -8.619 1.00 0.00 C ATOM 106 C CYS A 7 -12.680 -4.768 -7.331 1.00 0.00 C ATOM 107 O CYS A 7 -12.947 -3.567 -7.366 1.00 0.00 O ATOM 108 CB CYS A 7 -13.458 -6.311 -9.195 1.00 0.00 C ATOM 109 SG CYS A 7 -14.906 -5.314 -9.644 1.00 0.00 S ATOM 0 H CYS A 7 -11.338 -7.387 -8.624 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.994 -4.730 -9.325 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.115 -6.848 -10.079 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.762 -7.061 -8.464 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.835 -6.088 -10.120 1.00 0.00 H new ATOM 114 N GLY A 8 -12.605 -5.446 -6.179 1.00 0.00 N ATOM 115 CA GLY A 8 -12.845 -4.849 -4.861 1.00 0.00 C ATOM 116 C GLY A 8 -11.801 -3.787 -4.528 1.00 0.00 C ATOM 117 O GLY A 8 -12.163 -2.678 -4.150 1.00 0.00 O ATOM 0 H GLY A 8 -12.373 -6.438 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.839 -4.403 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.828 -5.628 -4.099 1.00 0.00 H new ATOM 121 N LEU A 9 -10.512 -4.085 -4.731 1.00 0.00 N ATOM 122 CA LEU A 9 -9.409 -3.149 -4.528 1.00 0.00 C ATOM 123 C LEU A 9 -9.476 -1.959 -5.492 1.00 0.00 C ATOM 124 O LEU A 9 -9.396 -0.831 -5.018 1.00 0.00 O ATOM 125 CB LEU A 9 -8.085 -3.929 -4.628 1.00 0.00 C ATOM 126 CG LEU A 9 -6.865 -3.052 -4.294 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.921 -2.537 -2.850 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.562 -3.824 -4.522 1.00 0.00 C ATOM 0 H LEU A 9 -10.204 -5.004 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.482 -2.706 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.115 -4.780 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.977 -4.330 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.890 -2.193 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.044 -1.922 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.823 -1.940 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.936 -3.383 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.713 -3.185 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.546 -4.707 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.499 -4.131 -5.566 1.00 0.00 H new ATOM 140 N VAL A 10 -9.694 -2.179 -6.793 1.00 0.00 N ATOM 141 CA VAL A 10 -9.901 -1.101 -7.787 1.00 0.00 C ATOM 142 C VAL A 10 -10.957 -0.103 -7.284 1.00 0.00 C ATOM 143 O VAL A 10 -10.742 1.105 -7.303 1.00 0.00 O ATOM 144 CB VAL A 10 -10.318 -1.662 -9.174 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.848 -0.577 -10.126 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.156 -2.362 -9.896 1.00 0.00 C ATOM 0 H VAL A 10 -9.733 -3.115 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.948 -0.587 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.111 -2.375 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.123 -1.031 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.724 -0.102 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.073 0.172 -10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.499 -2.736 -10.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.343 -1.652 -10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.800 -3.195 -9.290 1.00 0.00 H new ATOM 156 N HIS A 11 -12.078 -0.612 -6.770 1.00 0.00 N ATOM 157 CA HIS A 11 -13.173 0.200 -6.224 1.00 0.00 C ATOM 158 C HIS A 11 -12.806 0.902 -4.904 1.00 0.00 C ATOM 159 O HIS A 11 -13.109 2.082 -4.731 1.00 0.00 O ATOM 160 CB HIS A 11 -14.413 -0.686 -6.031 1.00 0.00 C ATOM 161 CG HIS A 11 -15.090 -1.159 -7.296 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.292 -1.870 -7.315 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.685 -0.939 -8.584 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.577 -2.069 -8.612 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.633 -1.520 -9.396 1.00 0.00 N ATOM 0 H HIS A 11 -12.256 -1.615 -6.719 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.381 0.992 -6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.124 -1.560 -5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.141 -0.134 -5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.797 -0.413 -8.901 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.446 -2.598 -8.976 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.621 -1.532 -10.416 1.00 0.00 H new ATOM 173 N GLU A 12 -12.128 0.208 -3.990 1.00 0.00 N ATOM 174 CA GLU A 12 -11.725 0.733 -2.682 1.00 0.00 C ATOM 175 C GLU A 12 -10.714 1.877 -2.813 1.00 0.00 C ATOM 176 O GLU A 12 -10.813 2.883 -2.119 1.00 0.00 O ATOM 177 CB GLU A 12 -11.167 -0.426 -1.839 1.00 0.00 C ATOM 178 CG GLU A 12 -11.390 -0.284 -0.330 1.00 0.00 C ATOM 179 CD GLU A 12 -12.865 -0.097 0.074 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.784 -0.576 -0.630 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.131 0.554 1.109 1.00 0.00 O ATOM 0 H GLU A 12 -11.836 -0.758 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.595 1.158 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.626 -1.356 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.097 -0.513 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.997 -1.170 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.814 0.568 0.033 1.00 0.00 H new ATOM 188 N LEU A 13 -9.794 1.776 -3.771 1.00 0.00 N ATOM 189 CA LEU A 13 -8.834 2.836 -4.087 1.00 0.00 C ATOM 190 C LEU A 13 -9.492 4.005 -4.831 1.00 0.00 C ATOM 191 O LEU A 13 -9.198 5.160 -4.533 1.00 0.00 O ATOM 192 CB LEU A 13 -7.698 2.223 -4.908 1.00 0.00 C ATOM 193 CG LEU A 13 -6.926 1.107 -4.194 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.944 0.487 -5.188 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.169 1.591 -2.955 1.00 0.00 C ATOM 0 H LEU A 13 -9.692 0.947 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.441 3.253 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.111 1.826 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.999 3.013 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.653 0.375 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.385 -0.310 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.494 0.077 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.252 1.252 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.645 0.752 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.448 2.355 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.875 2.011 -2.239 1.00 0.00 H new ATOM 207 N ARG A 14 -10.433 3.727 -5.740 1.00 0.00 N ATOM 208 CA ARG A 14 -11.263 4.773 -6.376 1.00 0.00 C ATOM 209 C ARG A 14 -12.062 5.583 -5.335 1.00 0.00 C ATOM 210 O ARG A 14 -12.142 6.808 -5.438 1.00 0.00 O ATOM 211 CB ARG A 14 -12.214 4.166 -7.420 1.00 0.00 C ATOM 212 CG ARG A 14 -11.528 3.834 -8.753 1.00 0.00 C ATOM 213 CD ARG A 14 -12.452 2.954 -9.600 1.00 0.00 C ATOM 214 NE ARG A 14 -11.900 2.679 -10.936 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.446 1.858 -11.830 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.611 1.282 -11.629 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.829 1.581 -12.957 1.00 0.00 N ATOM 0 H ARG A 14 -10.645 2.781 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.581 5.457 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.657 3.257 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -13.031 4.863 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.290 4.752 -9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.585 3.319 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.626 2.011 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.420 3.444 -9.704 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.035 3.153 -11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.125 1.459 -10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.000 0.658 -12.336 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.919 1.997 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.260 0.950 -13.633 1.00 0.00 H new ATOM 231 N LYS A 15 -12.594 4.930 -4.296 1.00 0.00 N ATOM 232 CA LYS A 15 -13.243 5.579 -3.141 1.00 0.00 C ATOM 233 C LYS A 15 -12.257 6.406 -2.288 1.00 0.00 C ATOM 234 O LYS A 15 -12.635 7.438 -1.729 1.00 0.00 O ATOM 235 CB LYS A 15 -13.915 4.497 -2.272 1.00 0.00 C ATOM 236 CG LYS A 15 -15.187 3.899 -2.898 1.00 0.00 C ATOM 237 CD LYS A 15 -15.555 2.532 -2.295 1.00 0.00 C ATOM 238 CE LYS A 15 -15.688 2.561 -0.764 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.941 1.207 -0.209 1.00 0.00 N ATOM 0 H LYS A 15 -12.587 3.912 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.985 6.279 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.200 3.695 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.166 4.927 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.017 4.590 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.043 3.791 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.496 2.192 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.794 1.803 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.776 2.969 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.503 3.228 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.924 1.249 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.872 0.870 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.204 0.552 -0.541 1.00 0.00 H new ATOM 253 N HIS A 16 -10.990 5.989 -2.227 1.00 0.00 N ATOM 254 CA HIS A 16 -9.942 6.567 -1.371 1.00 0.00 C ATOM 255 C HIS A 16 -9.025 7.597 -2.079 1.00 0.00 C ATOM 256 O HIS A 16 -8.068 8.089 -1.475 1.00 0.00 O ATOM 257 CB HIS A 16 -9.157 5.414 -0.720 1.00 0.00 C ATOM 258 CG HIS A 16 -9.967 4.570 0.242 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.317 4.731 0.583 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.471 3.508 0.936 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.592 3.737 1.444 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.504 2.992 1.682 1.00 0.00 N ATOM 0 H HIS A 16 -10.650 5.211 -2.792 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.429 7.165 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.763 4.770 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.301 5.829 -0.188 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.456 3.140 0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.562 3.562 1.886 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.452 2.186 2.305 1.00 0.00 H new ATOM 270 N GLY A 17 -9.319 7.954 -3.338 1.00 0.00 N ATOM 271 CA GLY A 17 -8.658 9.050 -4.066 1.00 0.00 C ATOM 272 C GLY A 17 -7.428 8.625 -4.872 1.00 0.00 C ATOM 273 O GLY A 17 -6.449 9.370 -4.928 1.00 0.00 O ATOM 0 H GLY A 17 -10.035 7.481 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.380 9.507 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.361 9.817 -3.351 1.00 0.00 H new ATOM 277 N PHE A 18 -7.463 7.440 -5.487 1.00 0.00 N ATOM 278 CA PHE A 18 -6.444 6.948 -6.418 1.00 0.00 C ATOM 279 C PHE A 18 -6.944 7.118 -7.864 1.00 0.00 C ATOM 280 O PHE A 18 -8.113 6.851 -8.159 1.00 0.00 O ATOM 281 CB PHE A 18 -6.133 5.480 -6.105 1.00 0.00 C ATOM 282 CG PHE A 18 -5.412 5.220 -4.789 1.00 0.00 C ATOM 283 CD1 PHE A 18 -6.035 5.476 -3.554 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.107 4.693 -4.800 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.352 5.248 -2.352 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.426 4.441 -3.596 1.00 0.00 C ATOM 287 CZ PHE A 18 -4.047 4.723 -2.369 1.00 0.00 C ATOM 0 H PHE A 18 -8.225 6.776 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.525 7.523 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.070 4.923 -6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.526 5.076 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.048 5.851 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.624 4.480 -5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.829 5.476 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.427 4.031 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.525 4.538 -1.442 1.00 0.00 H new ATOM 297 N GLU A 19 -6.068 7.565 -8.766 1.00 0.00 N ATOM 298 CA GLU A 19 -6.430 7.911 -10.148 1.00 0.00 C ATOM 299 C GLU A 19 -6.609 6.656 -11.017 1.00 0.00 C ATOM 300 O GLU A 19 -5.823 5.710 -10.929 1.00 0.00 O ATOM 301 CB GLU A 19 -5.365 8.819 -10.782 1.00 0.00 C ATOM 302 CG GLU A 19 -5.019 10.092 -9.999 1.00 0.00 C ATOM 303 CD GLU A 19 -6.212 11.052 -9.876 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.431 11.870 -10.799 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.922 11.013 -8.843 1.00 0.00 O ATOM 0 H GLU A 19 -5.078 7.699 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.380 8.443 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.452 8.238 -10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.707 9.108 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.673 9.818 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.194 10.605 -10.493 1.00 0.00 H new ATOM 312 N GLU A 20 -7.609 6.654 -11.899 1.00 0.00 N ATOM 313 CA GLU A 20 -7.948 5.508 -12.751 1.00 0.00 C ATOM 314 C GLU A 20 -6.850 5.139 -13.769 1.00 0.00 C ATOM 315 O GLU A 20 -6.745 3.975 -14.157 1.00 0.00 O ATOM 316 CB GLU A 20 -9.314 5.703 -13.429 1.00 0.00 C ATOM 317 CG GLU A 20 -9.441 6.925 -14.350 1.00 0.00 C ATOM 318 CD GLU A 20 -9.964 8.170 -13.616 1.00 0.00 C ATOM 319 OE1 GLU A 20 -9.213 8.752 -12.798 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.128 8.573 -13.853 1.00 0.00 O ATOM 0 H GLU A 20 -8.217 7.460 -12.046 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.018 4.650 -12.083 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.539 4.809 -14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.075 5.778 -12.652 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.468 7.148 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.113 6.685 -15.174 1.00 0.00 H new ATOM 327 N ASN A 21 -5.983 6.085 -14.150 1.00 0.00 N ATOM 328 CA ASN A 21 -4.816 5.832 -15.006 1.00 0.00 C ATOM 329 C ASN A 21 -3.596 5.285 -14.233 1.00 0.00 C ATOM 330 O ASN A 21 -2.683 4.728 -14.846 1.00 0.00 O ATOM 331 CB ASN A 21 -4.461 7.103 -15.797 1.00 0.00 C ATOM 332 CG ASN A 21 -3.812 8.200 -14.955 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.210 8.469 -13.830 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.785 8.856 -15.465 1.00 0.00 N ATOM 0 H ASN A 21 -6.073 7.061 -13.869 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.094 5.042 -15.704 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.785 6.836 -16.609 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.368 7.499 -16.254 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.325 9.586 -14.921 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.452 8.633 -16.403 1.00 0.00 H new ATOM 341 N LEU A 22 -3.585 5.403 -12.897 1.00 0.00 N ATOM 342 CA LEU A 22 -2.567 4.819 -12.011 1.00 0.00 C ATOM 343 C LEU A 22 -3.028 3.493 -11.389 1.00 0.00 C ATOM 344 O LEU A 22 -2.194 2.705 -10.954 1.00 0.00 O ATOM 345 CB LEU A 22 -2.202 5.833 -10.909 1.00 0.00 C ATOM 346 CG LEU A 22 -1.663 7.194 -11.387 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.309 8.050 -10.162 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.438 7.075 -12.307 1.00 0.00 C ATOM 0 H LEU A 22 -4.303 5.921 -12.390 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.687 4.596 -12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.088 6.011 -10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.455 5.378 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.450 7.663 -11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.926 9.016 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.201 8.201 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.548 7.541 -9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.110 8.070 -12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.369 6.572 -11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.703 6.498 -13.193 1.00 0.00 H new ATOM 360 N MET A 23 -4.337 3.225 -11.370 1.00 0.00 N ATOM 361 CA MET A 23 -4.976 2.070 -10.721 1.00 0.00 C ATOM 362 C MET A 23 -4.318 0.726 -11.076 1.00 0.00 C ATOM 363 O MET A 23 -3.995 -0.052 -10.175 1.00 0.00 O ATOM 364 CB MET A 23 -6.474 2.111 -11.080 1.00 0.00 C ATOM 365 CG MET A 23 -7.377 1.278 -10.158 1.00 0.00 C ATOM 366 SD MET A 23 -7.297 1.748 -8.417 1.00 0.00 S ATOM 367 CE MET A 23 -7.800 3.480 -8.561 1.00 0.00 C ATOM 0 H MET A 23 -5.015 3.835 -11.828 1.00 0.00 H new ATOM 0 HA MET A 23 -4.845 2.144 -9.641 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.811 3.147 -11.057 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.598 1.758 -12.104 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.408 1.369 -10.500 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.102 0.228 -10.252 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.359 3.772 -7.672 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.915 4.109 -8.656 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.430 3.604 -9.442 1.00 0.00 H new ATOM 377 N ARG A 24 -4.018 0.487 -12.362 1.00 0.00 N ATOM 378 CA ARG A 24 -3.308 -0.715 -12.839 1.00 0.00 C ATOM 379 C ARG A 24 -1.940 -0.912 -12.167 1.00 0.00 C ATOM 380 O ARG A 24 -1.627 -2.019 -11.732 1.00 0.00 O ATOM 381 CB ARG A 24 -3.128 -0.660 -14.367 1.00 0.00 C ATOM 382 CG ARG A 24 -4.461 -0.598 -15.126 1.00 0.00 C ATOM 383 CD ARG A 24 -4.280 -0.688 -16.646 1.00 0.00 C ATOM 384 NE ARG A 24 -3.869 -2.040 -17.061 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.515 -2.424 -18.281 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.486 -1.586 -19.296 1.00 0.00 N ATOM 387 NH2 ARG A 24 -3.180 -3.676 -18.503 1.00 0.00 N ATOM 0 H ARG A 24 -4.265 1.132 -13.113 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.929 -1.568 -12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.528 0.213 -14.625 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.571 -1.538 -14.694 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.103 -1.413 -14.792 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.972 0.333 -14.879 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.214 -0.422 -17.141 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.531 0.036 -16.968 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.855 -2.756 -16.335 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.741 -0.608 -19.157 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.209 -1.915 -20.221 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.192 -4.351 -17.738 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.908 -3.973 -19.440 1.00 0.00 H new ATOM 401 N ASN A 25 -1.146 0.156 -12.025 1.00 0.00 N ATOM 402 CA ASN A 25 0.120 0.123 -11.281 1.00 0.00 C ATOM 403 C ASN A 25 -0.127 -0.138 -9.790 1.00 0.00 C ATOM 404 O ASN A 25 0.504 -1.024 -9.218 1.00 0.00 O ATOM 405 CB ASN A 25 0.907 1.432 -11.465 1.00 0.00 C ATOM 406 CG ASN A 25 1.579 1.531 -12.827 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.645 0.966 -13.043 1.00 0.00 O ATOM 408 ND2 ASN A 25 0.998 2.250 -13.770 1.00 0.00 N ATOM 0 H ASN A 25 -1.363 1.070 -12.423 1.00 0.00 H new ATOM 0 HA ASN A 25 0.716 -0.696 -11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.231 2.278 -11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.665 1.508 -10.685 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.436 2.338 -14.687 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.111 2.717 -13.582 1.00 0.00 H new ATOM 415 N TRP A 26 -1.078 0.573 -9.172 1.00 0.00 N ATOM 416 CA TRP A 26 -1.373 0.458 -7.743 1.00 0.00 C ATOM 417 C TRP A 26 -1.848 -0.945 -7.344 1.00 0.00 C ATOM 418 O TRP A 26 -1.278 -1.524 -6.418 1.00 0.00 O ATOM 419 CB TRP A 26 -2.381 1.541 -7.334 1.00 0.00 C ATOM 420 CG TRP A 26 -1.793 2.900 -7.109 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.064 4.018 -7.819 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.867 3.317 -6.056 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.401 5.096 -7.265 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.675 4.728 -6.150 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.186 2.644 -5.017 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.106 5.441 -5.227 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.618 3.346 -4.099 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.755 4.743 -4.194 1.00 0.00 C ATOM 0 H TRP A 26 -1.668 1.250 -9.656 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.443 0.617 -7.196 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.145 1.616 -8.108 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.883 1.223 -6.420 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.703 4.062 -8.689 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.443 6.046 -7.634 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.284 1.572 -4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.207 6.513 -5.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.133 2.809 -3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.358 5.278 -3.475 1.00 0.00 H new ATOM 439 N VAL A 27 -2.818 -1.535 -8.054 1.00 0.00 N ATOM 440 CA VAL A 27 -3.297 -2.889 -7.703 1.00 0.00 C ATOM 441 C VAL A 27 -2.216 -3.948 -7.929 1.00 0.00 C ATOM 442 O VAL A 27 -2.078 -4.848 -7.111 1.00 0.00 O ATOM 443 CB VAL A 27 -4.616 -3.317 -8.386 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.714 -2.269 -8.166 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.458 -3.650 -9.878 1.00 0.00 C ATOM 0 H VAL A 27 -3.281 -1.112 -8.858 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.525 -2.821 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.916 -4.247 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.631 -2.595 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.896 -2.151 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.396 -1.315 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.424 -3.942 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.087 -2.773 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.751 -4.471 -9.995 1.00 0.00 H new ATOM 455 N CYS A 28 -1.392 -3.814 -8.978 1.00 0.00 N ATOM 456 CA CYS A 28 -0.306 -4.761 -9.260 1.00 0.00 C ATOM 457 C CYS A 28 0.811 -4.681 -8.208 1.00 0.00 C ATOM 458 O CYS A 28 1.302 -5.707 -7.740 1.00 0.00 O ATOM 459 CB CYS A 28 0.218 -4.485 -10.669 1.00 0.00 C ATOM 460 SG CYS A 28 1.183 -5.839 -11.388 1.00 0.00 S ATOM 0 H CYS A 28 -1.459 -3.050 -9.651 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.689 -5.780 -9.208 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.628 -4.271 -11.322 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.836 -3.588 -10.644 1.00 0.00 H new ATOM 0 HG CYS A 28 2.433 -5.705 -11.057 1.00 0.00 H new ATOM 465 N LEU A 29 1.125 -3.459 -7.762 1.00 0.00 N ATOM 466 CA LEU A 29 2.045 -3.169 -6.662 1.00 0.00 C ATOM 467 C LEU A 29 1.528 -3.780 -5.349 1.00 0.00 C ATOM 468 O LEU A 29 2.222 -4.566 -4.707 1.00 0.00 O ATOM 469 CB LEU A 29 2.251 -1.640 -6.640 1.00 0.00 C ATOM 470 CG LEU A 29 3.306 -1.075 -5.671 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.530 0.405 -6.012 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.894 -1.198 -4.201 1.00 0.00 C ATOM 0 H LEU A 29 0.729 -2.615 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 29 3.022 -3.633 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.517 -1.323 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.294 -1.176 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 29 4.218 -1.659 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.275 0.825 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.882 0.492 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.592 0.950 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.678 -0.783 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.966 -0.650 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.744 -2.249 -3.952 1.00 0.00 H new ATOM 484 N VAL A 30 0.278 -3.491 -4.982 1.00 0.00 N ATOM 485 CA VAL A 30 -0.363 -4.054 -3.779 1.00 0.00 C ATOM 486 C VAL A 30 -0.413 -5.589 -3.816 1.00 0.00 C ATOM 487 O VAL A 30 -0.186 -6.235 -2.790 1.00 0.00 O ATOM 488 CB VAL A 30 -1.779 -3.466 -3.596 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.621 -4.241 -2.574 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.688 -2.001 -3.142 1.00 0.00 C ATOM 0 H VAL A 30 -0.325 -2.859 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 30 0.249 -3.773 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.271 -3.544 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.605 -3.780 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.731 -5.274 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.125 -4.220 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.692 -1.596 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.153 -1.946 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.154 -1.420 -3.894 1.00 0.00 H new ATOM 500 N GLU A 31 -0.670 -6.180 -4.988 1.00 0.00 N ATOM 501 CA GLU A 31 -0.718 -7.634 -5.146 1.00 0.00 C ATOM 502 C GLU A 31 0.664 -8.291 -4.988 1.00 0.00 C ATOM 503 O GLU A 31 0.736 -9.404 -4.467 1.00 0.00 O ATOM 504 CB GLU A 31 -1.313 -8.004 -6.517 1.00 0.00 C ATOM 505 CG GLU A 31 -2.844 -7.886 -6.551 1.00 0.00 C ATOM 506 CD GLU A 31 -3.441 -8.026 -7.959 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.747 -8.444 -8.910 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.660 -7.784 -8.113 1.00 0.00 O ATOM 0 H GLU A 31 -0.850 -5.664 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.356 -8.016 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.886 -7.354 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.026 -9.025 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.273 -8.652 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.135 -6.921 -6.137 1.00 0.00 H new ATOM 515 N HIS A 32 1.767 -7.620 -5.351 1.00 0.00 N ATOM 516 CA HIS A 32 3.115 -8.136 -5.096 1.00 0.00 C ATOM 517 C HIS A 32 3.512 -7.982 -3.615 1.00 0.00 C ATOM 518 O HIS A 32 4.223 -8.831 -3.072 1.00 0.00 O ATOM 519 CB HIS A 32 4.127 -7.495 -6.075 1.00 0.00 C ATOM 520 CG HIS A 32 4.891 -6.284 -5.605 1.00 0.00 C ATOM 521 ND1 HIS A 32 4.873 -5.029 -6.209 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.739 -6.240 -4.540 1.00 0.00 C ATOM 523 CE1 HIS A 32 5.634 -4.240 -5.437 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.182 -4.945 -4.437 1.00 0.00 N ATOM 0 H HIS A 32 1.749 -6.716 -5.823 1.00 0.00 H new ATOM 0 HA HIS A 32 3.125 -9.209 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.851 -8.260 -6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.587 -7.219 -6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.011 -7.066 -3.899 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.785 -3.183 -5.598 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.816 -4.583 -3.725 1.00 0.00 H new ATOM 532 N GLU A 33 3.059 -6.897 -2.977 1.00 0.00 N ATOM 533 CA GLU A 33 3.443 -6.522 -1.618 1.00 0.00 C ATOM 534 C GLU A 33 2.712 -7.383 -0.573 1.00 0.00 C ATOM 535 O GLU A 33 3.335 -8.211 0.088 1.00 0.00 O ATOM 536 CB GLU A 33 3.180 -5.021 -1.395 1.00 0.00 C ATOM 537 CG GLU A 33 4.290 -4.058 -1.840 1.00 0.00 C ATOM 538 CD GLU A 33 5.699 -4.355 -1.284 1.00 0.00 C ATOM 539 OE1 GLU A 33 5.833 -4.993 -0.215 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.694 -3.938 -1.922 1.00 0.00 O ATOM 0 H GLU A 33 2.402 -6.244 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 33 4.510 -6.708 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.264 -4.753 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.995 -4.861 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.340 -4.069 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.009 -3.047 -1.544 1.00 0.00 H new ATOM 547 N SER A 34 1.396 -7.218 -0.417 1.00 0.00 N ATOM 548 CA SER A 34 0.608 -7.914 0.619 1.00 0.00 C ATOM 549 C SER A 34 -0.305 -9.013 0.066 1.00 0.00 C ATOM 550 O SER A 34 -0.883 -9.773 0.844 1.00 0.00 O ATOM 551 CB SER A 34 -0.275 -6.907 1.364 1.00 0.00 C ATOM 552 OG SER A 34 -1.250 -6.349 0.493 1.00 0.00 O ATOM 0 H SER A 34 0.840 -6.597 -1.005 1.00 0.00 H new ATOM 0 HA SER A 34 1.338 -8.384 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.769 -7.399 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.344 -6.113 1.781 1.00 0.00 H new ATOM 0 HG SER A 34 -1.108 -5.382 0.419 1.00 0.00 H new ATOM 558 N SER A 35 -0.466 -9.076 -1.258 1.00 0.00 N ATOM 559 CA SER A 35 -1.473 -9.883 -1.962 1.00 0.00 C ATOM 560 C SER A 35 -2.904 -9.356 -1.717 1.00 0.00 C ATOM 561 O SER A 35 -3.869 -10.126 -1.727 1.00 0.00 O ATOM 562 CB SER A 35 -1.349 -11.394 -1.673 1.00 0.00 C ATOM 563 OG SER A 35 -0.016 -11.881 -1.814 1.00 0.00 O ATOM 0 H SER A 35 0.125 -8.545 -1.898 1.00 0.00 H new ATOM 0 HA SER A 35 -1.265 -9.768 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.698 -11.594 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.004 -11.943 -2.350 1.00 0.00 H new ATOM 0 HG SER A 35 0.004 -12.841 -1.618 1.00 0.00 H new ATOM 569 N ARG A 36 -3.045 -8.039 -1.468 1.00 0.00 N ATOM 570 CA ARG A 36 -4.294 -7.346 -1.126 1.00 0.00 C ATOM 571 C ARG A 36 -4.833 -7.745 0.259 1.00 0.00 C ATOM 572 O ARG A 36 -6.047 -7.798 0.458 1.00 0.00 O ATOM 573 CB ARG A 36 -5.399 -7.494 -2.189 1.00 0.00 C ATOM 574 CG ARG A 36 -4.992 -7.577 -3.660 1.00 0.00 C ATOM 575 CD ARG A 36 -6.269 -7.485 -4.512 1.00 0.00 C ATOM 576 NE ARG A 36 -6.144 -8.252 -5.749 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.262 -9.563 -5.911 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.645 -10.375 -4.947 1.00 0.00 N ATOM 579 NH2 ARG A 36 -5.973 -10.062 -7.088 1.00 0.00 N ATOM 0 H ARG A 36 -2.249 -7.402 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.017 -6.292 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.968 -8.393 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.078 -6.648 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.307 -6.768 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.468 -8.512 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.118 -7.855 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.475 -6.441 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.941 -7.713 -6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.867 -10.002 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.720 -11.377 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.669 -9.446 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.052 -11.066 -7.250 1.00 0.00 H new ATOM 593 N ASP A 37 -3.956 -8.018 1.222 1.00 0.00 N ATOM 594 CA ASP A 37 -4.335 -8.471 2.571 1.00 0.00 C ATOM 595 C ASP A 37 -3.890 -7.477 3.652 1.00 0.00 C ATOM 596 O ASP A 37 -2.688 -7.285 3.862 1.00 0.00 O ATOM 597 CB ASP A 37 -3.759 -9.872 2.831 1.00 0.00 C ATOM 598 CG ASP A 37 -4.181 -10.428 4.199 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.353 -10.223 4.590 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.340 -11.078 4.861 1.00 0.00 O ATOM 0 H ASP A 37 -2.948 -7.932 1.092 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.423 -8.523 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.092 -10.551 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.671 -9.831 2.777 1.00 0.00 H new ATOM 605 N THR A 38 -4.850 -6.837 4.339 1.00 0.00 N ATOM 606 CA THR A 38 -4.523 -5.837 5.375 1.00 0.00 C ATOM 607 C THR A 38 -3.887 -6.487 6.594 1.00 0.00 C ATOM 608 O THR A 38 -3.095 -5.854 7.280 1.00 0.00 O ATOM 609 CB THR A 38 -5.721 -5.002 5.839 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.728 -5.807 6.386 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.364 -4.188 4.729 1.00 0.00 C ATOM 0 H THR A 38 -5.849 -6.990 4.200 1.00 0.00 H new ATOM 0 HA THR A 38 -3.818 -5.162 4.890 1.00 0.00 H new ATOM 0 HB THR A 38 -5.303 -4.325 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.299 -5.265 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.205 -3.623 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.630 -3.498 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.719 -4.858 3.946 1.00 0.00 H new ATOM 619 N SER A 39 -4.179 -7.761 6.847 1.00 0.00 N ATOM 620 CA SER A 39 -3.655 -8.520 7.989 1.00 0.00 C ATOM 621 C SER A 39 -2.171 -8.915 7.842 1.00 0.00 C ATOM 622 O SER A 39 -1.580 -9.466 8.774 1.00 0.00 O ATOM 623 CB SER A 39 -4.500 -9.787 8.180 1.00 0.00 C ATOM 624 OG SER A 39 -5.865 -9.497 8.462 1.00 0.00 O ATOM 0 H SER A 39 -4.800 -8.310 6.253 1.00 0.00 H new ATOM 0 HA SER A 39 -3.718 -7.865 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.441 -10.398 7.279 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.082 -10.379 8.995 1.00 0.00 H new ATOM 0 HG SER A 39 -6.361 -10.335 8.573 1.00 0.00 H new ATOM 630 N LYS A 40 -1.553 -8.661 6.682 1.00 0.00 N ATOM 631 CA LYS A 40 -0.200 -9.117 6.361 1.00 0.00 C ATOM 632 C LYS A 40 0.897 -8.289 7.068 1.00 0.00 C ATOM 633 O LYS A 40 0.801 -7.060 7.175 1.00 0.00 O ATOM 634 CB LYS A 40 -0.046 -9.115 4.828 1.00 0.00 C ATOM 635 CG LYS A 40 1.155 -9.930 4.315 1.00 0.00 C ATOM 636 CD LYS A 40 1.055 -11.454 4.513 1.00 0.00 C ATOM 637 CE LYS A 40 -0.218 -12.108 3.944 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.302 -12.038 2.461 1.00 0.00 N ATOM 0 H LYS A 40 -1.987 -8.125 5.931 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.063 -10.130 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.958 -9.512 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.055 -8.085 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.282 -9.727 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.055 -9.574 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.923 -11.922 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.109 -11.670 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.251 -13.152 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.092 -11.620 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.041 -12.688 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.537 -11.067 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.613 -12.310 2.048 1.00 0.00 H new ATOM 652 N THR A 41 1.971 -8.974 7.477 1.00 0.00 N ATOM 653 CA THR A 41 3.157 -8.440 8.173 1.00 0.00 C ATOM 654 C THR A 41 4.401 -9.244 7.803 1.00 0.00 C ATOM 655 O THR A 41 4.295 -10.384 7.349 1.00 0.00 O ATOM 656 CB THR A 41 3.003 -8.467 9.705 1.00 0.00 C ATOM 657 OG1 THR A 41 2.614 -9.760 10.117 1.00 0.00 O ATOM 658 CG2 THR A 41 2.009 -7.460 10.277 1.00 0.00 C ATOM 0 H THR A 41 2.044 -9.980 7.323 1.00 0.00 H new ATOM 0 HA THR A 41 3.259 -7.403 7.852 1.00 0.00 H new ATOM 0 HB THR A 41 3.982 -8.185 10.093 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.518 -9.777 11.092 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.974 -7.559 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.323 -6.450 10.015 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.019 -7.651 9.863 1.00 0.00 H new ATOM 666 N ASN A 42 5.584 -8.667 8.039 1.00 0.00 N ATOM 667 CA ASN A 42 6.882 -9.319 7.813 1.00 0.00 C ATOM 668 C ASN A 42 8.002 -8.660 8.636 1.00 0.00 C ATOM 669 O ASN A 42 8.130 -7.434 8.628 1.00 0.00 O ATOM 670 CB ASN A 42 7.221 -9.265 6.311 1.00 0.00 C ATOM 671 CG ASN A 42 6.940 -10.573 5.579 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.453 -11.629 5.933 1.00 0.00 O ATOM 673 ND2 ASN A 42 6.139 -10.536 4.528 1.00 0.00 N ATOM 0 H ASN A 42 5.670 -7.717 8.399 1.00 0.00 H new ATOM 0 HA ASN A 42 6.807 -10.356 8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.645 -8.465 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.274 -9.010 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.944 -11.390 4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.716 -9.654 4.240 1.00 0.00 H new ATOM 680 N THR A 43 8.813 -9.457 9.345 1.00 0.00 N ATOM 681 CA THR A 43 9.940 -8.977 10.170 1.00 0.00 C ATOM 682 C THR A 43 11.169 -8.743 9.297 1.00 0.00 C ATOM 683 O THR A 43 11.506 -9.574 8.454 1.00 0.00 O ATOM 684 CB THR A 43 10.261 -9.976 11.289 1.00 0.00 C ATOM 685 OG1 THR A 43 9.065 -10.320 11.957 1.00 0.00 O ATOM 686 CG2 THR A 43 11.209 -9.384 12.334 1.00 0.00 C ATOM 0 H THR A 43 8.706 -10.471 9.364 1.00 0.00 H new ATOM 0 HA THR A 43 9.651 -8.032 10.631 1.00 0.00 H new ATOM 0 HB THR A 43 10.736 -10.840 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.262 -10.960 12.673 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.408 -10.127 13.107 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.146 -9.098 11.855 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.749 -8.505 12.786 1.00 0.00 H new ATOM 694 N ASN A 44 11.849 -7.620 9.516 1.00 0.00 N ATOM 695 CA ASN A 44 13.072 -7.227 8.812 1.00 0.00 C ATOM 696 C ASN A 44 14.338 -7.704 9.549 1.00 0.00 C ATOM 697 O ASN A 44 14.337 -7.898 10.769 1.00 0.00 O ATOM 698 CB ASN A 44 13.102 -5.697 8.661 1.00 0.00 C ATOM 699 CG ASN A 44 11.906 -5.120 7.907 1.00 0.00 C ATOM 700 OD1 ASN A 44 11.396 -5.686 6.947 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.447 -3.955 8.319 1.00 0.00 N ATOM 0 H ASN A 44 11.556 -6.934 10.211 1.00 0.00 H new ATOM 0 HA ASN A 44 13.065 -7.702 7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.145 -5.246 9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.017 -5.412 8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.661 -3.517 7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.878 -3.491 9.119 1.00 0.00 H new ATOM 708 N ARG A 45 15.458 -7.805 8.820 1.00 0.00 N ATOM 709 CA ARG A 45 16.771 -8.211 9.363 1.00 0.00 C ATOM 710 C ARG A 45 17.334 -7.226 10.405 1.00 0.00 C ATOM 711 O ARG A 45 18.144 -7.604 11.251 1.00 0.00 O ATOM 712 CB ARG A 45 17.790 -8.391 8.222 1.00 0.00 C ATOM 713 CG ARG A 45 17.318 -9.415 7.180 1.00 0.00 C ATOM 714 CD ARG A 45 18.407 -9.689 6.134 1.00 0.00 C ATOM 715 NE ARG A 45 17.944 -10.650 5.114 1.00 0.00 N ATOM 716 CZ ARG A 45 17.961 -11.977 5.198 1.00 0.00 C ATOM 717 NH1 ARG A 45 18.409 -12.611 6.262 1.00 0.00 N ATOM 718 NH2 ARG A 45 17.516 -12.697 4.190 1.00 0.00 N ATOM 0 H ARG A 45 15.482 -7.605 7.820 1.00 0.00 H new ATOM 0 HA ARG A 45 16.606 -9.158 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.960 -7.431 7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.745 -8.712 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.047 -10.346 7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.420 -9.046 6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.694 -8.754 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.297 -10.080 6.627 1.00 0.00 H new ATOM 0 HE ARG A 45 17.571 -10.253 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.760 -12.082 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.405 -13.631 6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.161 -12.237 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.526 -13.715 4.247 1.00 0.00 H new ATOM 732 N ASN A 46 16.866 -5.974 10.365 1.00 0.00 N ATOM 733 CA ASN A 46 17.263 -4.881 11.265 1.00 0.00 C ATOM 734 C ASN A 46 16.342 -4.721 12.504 1.00 0.00 C ATOM 735 O ASN A 46 16.464 -3.738 13.239 1.00 0.00 O ATOM 736 CB ASN A 46 17.358 -3.581 10.442 1.00 0.00 C ATOM 737 CG ASN A 46 18.344 -3.679 9.277 1.00 0.00 C ATOM 738 OD1 ASN A 46 19.449 -4.193 9.406 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.972 -3.198 8.104 1.00 0.00 N ATOM 0 H ASN A 46 16.172 -5.680 9.678 1.00 0.00 H new ATOM 0 HA ASN A 46 18.237 -5.128 11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.371 -3.331 10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.660 -2.764 11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.605 -3.254 7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.052 -2.770 7.997 1.00 0.00 H new ATOM 746 N GLY A 47 15.405 -5.653 12.734 1.00 0.00 N ATOM 747 CA GLY A 47 14.554 -5.729 13.939 1.00 0.00 C ATOM 748 C GLY A 47 13.227 -4.966 13.862 1.00 0.00 C ATOM 749 O GLY A 47 12.399 -5.093 14.763 1.00 0.00 O ATOM 0 H GLY A 47 15.210 -6.400 12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.338 -6.778 14.144 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.122 -5.349 14.788 1.00 0.00 H new ATOM 753 N SER A 48 13.003 -4.187 12.807 1.00 0.00 N ATOM 754 CA SER A 48 11.709 -3.573 12.476 1.00 0.00 C ATOM 755 C SER A 48 10.742 -4.593 11.839 1.00 0.00 C ATOM 756 O SER A 48 11.117 -5.729 11.530 1.00 0.00 O ATOM 757 CB SER A 48 11.959 -2.363 11.557 1.00 0.00 C ATOM 758 OG SER A 48 12.899 -2.661 10.526 1.00 0.00 O ATOM 0 H SER A 48 13.735 -3.955 12.136 1.00 0.00 H new ATOM 0 HA SER A 48 11.224 -3.232 13.391 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.017 -2.047 11.109 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.326 -1.526 12.151 1.00 0.00 H new ATOM 0 HG SER A 48 12.831 -1.988 9.817 1.00 0.00 H new ATOM 764 N LYS A 49 9.485 -4.201 11.617 1.00 0.00 N ATOM 765 CA LYS A 49 8.468 -5.005 10.924 1.00 0.00 C ATOM 766 C LYS A 49 7.766 -4.176 9.832 1.00 0.00 C ATOM 767 O LYS A 49 7.868 -2.947 9.791 1.00 0.00 O ATOM 768 CB LYS A 49 7.457 -5.568 11.950 1.00 0.00 C ATOM 769 CG LYS A 49 6.939 -6.982 11.651 1.00 0.00 C ATOM 770 CD LYS A 49 5.848 -7.376 12.659 1.00 0.00 C ATOM 771 CE LYS A 49 5.435 -8.851 12.540 1.00 0.00 C ATOM 772 NZ LYS A 49 6.455 -9.775 13.103 1.00 0.00 N ATOM 0 H LYS A 49 9.135 -3.293 11.921 1.00 0.00 H new ATOM 0 HA LYS A 49 8.954 -5.845 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.926 -5.571 12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.605 -4.891 12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.539 -7.023 10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.762 -7.695 11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.207 -7.184 13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.973 -6.745 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.487 -9.002 13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.268 -9.095 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.056 -10.733 13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.290 -9.790 12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.733 -9.449 14.051 1.00 0.00 H new ATOM 786 N ASP A 50 7.056 -4.853 8.937 1.00 0.00 N ATOM 787 CA ASP A 50 6.145 -4.272 7.949 1.00 0.00 C ATOM 788 C ASP A 50 4.685 -4.573 8.327 1.00 0.00 C ATOM 789 O ASP A 50 4.416 -5.575 8.990 1.00 0.00 O ATOM 790 CB ASP A 50 6.597 -4.677 6.525 1.00 0.00 C ATOM 791 CG ASP A 50 5.865 -5.783 5.751 1.00 0.00 C ATOM 792 OD1 ASP A 50 4.677 -6.074 6.003 1.00 0.00 O ATOM 793 OD2 ASP A 50 6.516 -6.320 4.825 1.00 0.00 O ATOM 0 H ASP A 50 7.100 -5.870 8.875 1.00 0.00 H new ATOM 0 HA ASP A 50 6.190 -3.183 7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.560 -3.778 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.644 -4.974 6.594 1.00 0.00 H new ATOM 798 N TYR A 51 3.765 -3.682 7.941 1.00 0.00 N ATOM 799 CA TYR A 51 2.352 -3.696 8.335 1.00 0.00 C ATOM 800 C TYR A 51 1.408 -3.190 7.229 1.00 0.00 C ATOM 801 O TYR A 51 1.708 -2.227 6.517 1.00 0.00 O ATOM 802 CB TYR A 51 2.172 -2.797 9.569 1.00 0.00 C ATOM 803 CG TYR A 51 2.966 -3.180 10.796 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.252 -2.642 10.990 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.396 -4.011 11.780 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.967 -2.928 12.164 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.108 -4.301 12.959 1.00 0.00 C ATOM 808 CZ TYR A 51 4.396 -3.755 13.158 1.00 0.00 C ATOM 809 OH TYR A 51 5.083 -4.036 14.301 1.00 0.00 O ATOM 0 H TYR A 51 3.992 -2.903 7.323 1.00 0.00 H new ATOM 0 HA TYR A 51 2.090 -4.734 8.542 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.440 -1.778 9.292 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.115 -2.787 9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.690 -2.007 10.234 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.411 -4.427 11.630 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.955 -2.516 12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.670 -4.940 13.711 1.00 0.00 H new ATOM 0 HH TYR A 51 4.541 -4.618 14.874 1.00 0.00 H new ATOM 819 N GLY A 52 0.226 -3.803 7.114 1.00 0.00 N ATOM 820 CA GLY A 52 -0.871 -3.306 6.275 1.00 0.00 C ATOM 821 C GLY A 52 -0.705 -3.569 4.784 1.00 0.00 C ATOM 822 O GLY A 52 0.288 -4.136 4.331 1.00 0.00 O ATOM 0 H GLY A 52 0.001 -4.668 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.802 -3.765 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.971 -2.232 6.431 1.00 0.00 H new ATOM 826 N LEU A 53 -1.677 -3.109 3.996 1.00 0.00 N ATOM 827 CA LEU A 53 -1.813 -3.466 2.578 1.00 0.00 C ATOM 828 C LEU A 53 -0.633 -3.071 1.674 1.00 0.00 C ATOM 829 O LEU A 53 -0.361 -3.750 0.685 1.00 0.00 O ATOM 830 CB LEU A 53 -3.108 -2.824 2.046 1.00 0.00 C ATOM 831 CG LEU A 53 -3.758 -3.691 0.959 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.704 -4.700 1.594 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.573 -2.858 -0.015 1.00 0.00 C ATOM 0 H LEU A 53 -2.402 -2.471 4.325 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.836 -4.555 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.810 -2.682 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.887 -1.836 1.642 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.948 -4.188 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.161 -5.311 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.147 -5.341 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.483 -4.172 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.016 -3.509 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.364 -2.337 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.925 -2.129 -0.501 1.00 0.00 H new ATOM 845 N PHE A 54 0.085 -2.009 2.033 1.00 0.00 N ATOM 846 CA PHE A 54 1.258 -1.516 1.302 1.00 0.00 C ATOM 847 C PHE A 54 2.577 -1.926 1.984 1.00 0.00 C ATOM 848 O PHE A 54 3.637 -1.453 1.574 1.00 0.00 O ATOM 849 CB PHE A 54 1.129 0.004 1.115 1.00 0.00 C ATOM 850 CG PHE A 54 -0.109 0.435 0.346 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.338 0.582 1.016 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.047 0.673 -1.041 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.499 0.942 0.312 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.207 1.056 -1.741 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.434 1.187 -1.068 1.00 0.00 C ATOM 0 H PHE A 54 -0.135 -1.452 2.859 1.00 0.00 H new ATOM 0 HA PHE A 54 1.291 -1.981 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.118 0.480 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.013 0.371 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.389 0.416 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.890 0.562 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.441 1.030 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.154 1.250 -2.802 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.322 1.475 -1.610 1.00 0.00 H new ATOM 865 N GLN A 55 2.508 -2.790 3.013 1.00 0.00 N ATOM 866 CA GLN A 55 3.649 -3.380 3.722 1.00 0.00 C ATOM 867 C GLN A 55 4.565 -2.275 4.296 1.00 0.00 C ATOM 868 O GLN A 55 5.757 -2.184 3.997 1.00 0.00 O ATOM 869 CB GLN A 55 4.364 -4.385 2.800 1.00 0.00 C ATOM 870 CG GLN A 55 3.495 -5.561 2.308 1.00 0.00 C ATOM 871 CD GLN A 55 3.076 -6.565 3.382 1.00 0.00 C ATOM 872 OE1 GLN A 55 3.638 -7.644 3.528 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.024 -6.290 4.126 1.00 0.00 N ATOM 0 H GLN A 55 1.614 -3.108 3.387 1.00 0.00 H new ATOM 0 HA GLN A 55 3.308 -3.946 4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.746 -3.848 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.227 -4.789 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.596 -5.156 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.043 -6.094 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.543 -5.397 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.691 -6.970 4.809 1.00 0.00 H new ATOM 882 N ILE A 56 3.965 -1.372 5.076 1.00 0.00 N ATOM 883 CA ILE A 56 4.555 -0.118 5.568 1.00 0.00 C ATOM 884 C ILE A 56 5.372 -0.367 6.844 1.00 0.00 C ATOM 885 O ILE A 56 4.922 -1.090 7.729 1.00 0.00 O ATOM 886 CB ILE A 56 3.435 0.931 5.805 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.478 1.000 4.587 1.00 0.00 C ATOM 888 CG2 ILE A 56 4.067 2.302 6.047 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.407 2.096 4.620 1.00 0.00 C ATOM 0 H ILE A 56 3.006 -1.499 5.399 1.00 0.00 H new ATOM 0 HA ILE A 56 5.239 0.275 4.816 1.00 0.00 H new ATOM 0 HB ILE A 56 2.855 0.633 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.079 1.137 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.977 0.037 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.282 3.040 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.713 2.255 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.657 2.590 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.802 2.041 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.769 1.955 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.888 3.073 4.676 1.00 0.00 H new ATOM 901 N ASN A 57 6.557 0.238 6.963 1.00 0.00 N ATOM 902 CA ASN A 57 7.489 -0.041 8.060 1.00 0.00 C ATOM 903 C ASN A 57 7.420 0.979 9.209 1.00 0.00 C ATOM 904 O ASN A 57 7.342 2.193 8.990 1.00 0.00 O ATOM 905 CB ASN A 57 8.922 -0.129 7.512 1.00 0.00 C ATOM 906 CG ASN A 57 9.122 -1.304 6.563 1.00 0.00 C ATOM 907 OD1 ASN A 57 8.966 -2.523 7.048 1.00 0.00 O flip ATOM 908 ND2 ASN A 57 9.427 -1.137 5.389 1.00 0.00 N flip ATOM 0 H ASN A 57 6.898 0.935 6.301 1.00 0.00 H new ATOM 0 HA ASN A 57 7.187 -0.996 8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.164 0.797 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.619 -0.218 8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.546 -0.193 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.562 -1.942 4.778 1.00 0.00 H new ATOM 915 N ASP A 58 7.540 0.475 10.445 1.00 0.00 N ATOM 916 CA ASP A 58 7.477 1.251 11.694 1.00 0.00 C ATOM 917 C ASP A 58 8.649 2.226 11.934 1.00 0.00 C ATOM 918 O ASP A 58 8.616 3.046 12.855 1.00 0.00 O ATOM 919 CB ASP A 58 7.350 0.294 12.883 1.00 0.00 C ATOM 920 CG ASP A 58 8.650 -0.465 13.205 1.00 0.00 C ATOM 921 OD1 ASP A 58 8.890 -1.523 12.583 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.421 -0.004 14.080 1.00 0.00 O ATOM 0 H ASP A 58 7.689 -0.520 10.610 1.00 0.00 H new ATOM 0 HA ASP A 58 6.598 1.887 11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.042 0.859 13.762 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.560 -0.428 12.675 1.00 0.00 H new ATOM 927 N ARG A 59 9.690 2.121 11.103 1.00 0.00 N ATOM 928 CA ARG A 59 10.926 2.908 11.164 1.00 0.00 C ATOM 929 C ARG A 59 10.972 4.030 10.109 1.00 0.00 C ATOM 930 O ARG A 59 11.913 4.823 10.078 1.00 0.00 O ATOM 931 CB ARG A 59 12.088 1.908 11.046 1.00 0.00 C ATOM 932 CG ARG A 59 13.454 2.479 11.456 1.00 0.00 C ATOM 933 CD ARG A 59 14.514 1.386 11.645 1.00 0.00 C ATOM 934 NE ARG A 59 14.235 0.536 12.820 1.00 0.00 N ATOM 935 CZ ARG A 59 14.902 -0.560 13.166 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.943 -0.990 12.488 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.533 -1.260 14.216 1.00 0.00 N ATOM 0 H ARG A 59 9.694 1.453 10.332 1.00 0.00 H new ATOM 0 HA ARG A 59 10.993 3.448 12.109 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.869 1.039 11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.148 1.557 10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.793 3.182 10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.346 3.040 12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.556 0.764 10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.494 1.849 11.758 1.00 0.00 H new ATOM 0 HE ARG A 59 13.460 0.816 13.421 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.263 -0.478 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.430 -1.836 12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.730 -0.963 14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.049 -2.100 14.476 1.00 0.00 H new ATOM 951 N TYR A 60 9.948 4.110 9.251 1.00 0.00 N ATOM 952 CA TYR A 60 9.928 4.972 8.057 1.00 0.00 C ATOM 953 C TYR A 60 8.650 5.809 7.868 1.00 0.00 C ATOM 954 O TYR A 60 8.758 6.972 7.472 1.00 0.00 O ATOM 955 CB TYR A 60 10.134 4.099 6.809 1.00 0.00 C ATOM 956 CG TYR A 60 11.508 3.476 6.663 1.00 0.00 C ATOM 957 CD1 TYR A 60 11.823 2.282 7.339 1.00 0.00 C ATOM 958 CD2 TYR A 60 12.465 4.080 5.827 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.097 1.698 7.197 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.742 3.504 5.680 1.00 0.00 C ATOM 961 CZ TYR A 60 14.063 2.312 6.367 1.00 0.00 C ATOM 962 OH TYR A 60 15.299 1.756 6.221 1.00 0.00 O ATOM 0 H TYR A 60 9.092 3.568 9.367 1.00 0.00 H new ATOM 0 HA TYR A 60 10.734 5.691 8.203 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.392 3.300 6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.935 4.706 5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.084 1.811 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.220 4.988 5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.335 0.784 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.476 3.974 5.042 1.00 0.00 H new ATOM 0 HH TYR A 60 15.836 2.307 5.615 1.00 0.00 H new ATOM 972 N TRP A 61 7.460 5.260 8.155 1.00 0.00 N ATOM 973 CA TRP A 61 6.185 5.890 7.763 1.00 0.00 C ATOM 974 C TRP A 61 5.041 5.715 8.777 1.00 0.00 C ATOM 975 O TRP A 61 4.313 6.673 9.027 1.00 0.00 O ATOM 976 CB TRP A 61 5.766 5.311 6.406 1.00 0.00 C ATOM 977 CG TRP A 61 6.764 5.352 5.287 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.396 4.272 4.771 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.229 6.496 4.505 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.229 4.665 3.744 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.153 6.024 3.522 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.933 7.878 4.492 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.749 6.874 2.581 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.507 8.739 3.536 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.418 8.239 2.585 1.00 0.00 C ATOM 0 H TRP A 61 7.352 4.379 8.658 1.00 0.00 H new ATOM 0 HA TRP A 61 6.363 6.964 7.716 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.479 4.271 6.560 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.873 5.842 6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.267 3.255 5.112 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.826 4.030 3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.254 8.281 5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.454 6.484 1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.247 9.787 3.532 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.862 8.905 1.859 1.00 0.00 H new ATOM 996 N CYS A 62 4.890 4.532 9.386 1.00 0.00 N ATOM 997 CA CYS A 62 3.981 4.302 10.522 1.00 0.00 C ATOM 998 C CYS A 62 4.730 4.190 11.861 1.00 0.00 C ATOM 999 O CYS A 62 5.952 4.102 11.901 1.00 0.00 O ATOM 1000 CB CYS A 62 3.101 3.074 10.254 1.00 0.00 C ATOM 1001 SG CYS A 62 3.964 1.603 9.642 1.00 0.00 S ATOM 0 H CYS A 62 5.401 3.696 9.102 1.00 0.00 H new ATOM 0 HA CYS A 62 3.335 5.175 10.614 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.586 2.811 11.178 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.335 3.351 9.529 1.00 0.00 H new ATOM 0 HG CYS A 62 3.155 0.586 9.660 1.00 0.00 H new ATOM 1006 N SER A 63 3.996 4.234 12.970 1.00 0.00 N ATOM 1007 CA SER A 63 4.533 4.180 14.338 1.00 0.00 C ATOM 1008 C SER A 63 4.001 2.974 15.124 1.00 0.00 C ATOM 1009 O SER A 63 2.825 2.629 15.023 1.00 0.00 O ATOM 1010 CB SER A 63 4.154 5.463 15.079 1.00 0.00 C ATOM 1011 OG SER A 63 5.169 5.798 16.009 1.00 0.00 O ATOM 0 H SER A 63 2.979 4.311 12.947 1.00 0.00 H new ATOM 0 HA SER A 63 5.616 4.079 14.263 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.017 6.277 14.368 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.204 5.328 15.596 1.00 0.00 H new ATOM 0 HG SER A 63 4.922 6.621 16.480 1.00 0.00 H new ATOM 1017 N LYS A 64 4.860 2.326 15.911 1.00 0.00 N ATOM 1018 CA LYS A 64 4.577 1.035 16.574 1.00 0.00 C ATOM 1019 C LYS A 64 4.196 1.114 18.065 1.00 0.00 C ATOM 1020 O LYS A 64 3.832 0.096 18.662 1.00 0.00 O ATOM 1021 CB LYS A 64 5.763 0.089 16.376 1.00 0.00 C ATOM 1022 CG LYS A 64 7.067 0.729 16.858 1.00 0.00 C ATOM 1023 CD LYS A 64 8.072 -0.346 17.251 1.00 0.00 C ATOM 1024 CE LYS A 64 9.361 0.320 17.718 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.097 0.982 16.607 1.00 0.00 N ATOM 0 H LYS A 64 5.793 2.684 16.115 1.00 0.00 H new ATOM 0 HA LYS A 64 3.679 0.653 16.088 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.587 -0.838 16.921 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.851 -0.173 15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.485 1.356 16.070 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.868 1.379 17.710 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.663 -0.970 18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.273 -1.000 16.403 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.127 1.058 18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.005 -0.428 18.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.116 0.980 16.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.925 0.466 15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.766 1.963 16.507 1.00 0.00 H new ATOM 1039 N GLY A 65 4.317 2.296 18.678 1.00 0.00 N ATOM 1040 CA GLY A 65 4.100 2.512 20.114 1.00 0.00 C ATOM 1041 C GLY A 65 2.619 2.627 20.483 1.00 0.00 C ATOM 1042 O GLY A 65 1.750 2.103 19.786 1.00 0.00 O ATOM 0 H GLY A 65 4.574 3.148 18.180 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.545 1.688 20.671 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.617 3.421 20.422 1.00 0.00 H new ATOM 1046 N ALA A 66 2.320 3.315 21.587 1.00 0.00 N ATOM 1047 CA ALA A 66 0.949 3.514 22.084 1.00 0.00 C ATOM 1048 C ALA A 66 0.142 4.573 21.297 1.00 0.00 C ATOM 1049 O ALA A 66 -1.029 4.810 21.595 1.00 0.00 O ATOM 1050 CB ALA A 66 1.036 3.851 23.579 1.00 0.00 C ATOM 0 H ALA A 66 3.030 3.757 22.171 1.00 0.00 H new ATOM 0 HA ALA A 66 0.389 2.591 21.931 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.033 4.004 23.976 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.515 3.028 24.110 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.622 4.760 23.714 1.00 0.00 H new ATOM 1056 N SER A 67 0.743 5.210 20.291 1.00 0.00 N ATOM 1057 CA SER A 67 0.190 6.363 19.569 1.00 0.00 C ATOM 1058 C SER A 67 0.833 6.545 18.172 1.00 0.00 C ATOM 1059 O SER A 67 1.962 6.082 17.953 1.00 0.00 O ATOM 1060 CB SER A 67 0.376 7.631 20.426 1.00 0.00 C ATOM 1061 OG SER A 67 1.742 7.876 20.744 1.00 0.00 O ATOM 0 H SER A 67 1.660 4.930 19.942 1.00 0.00 H new ATOM 0 HA SER A 67 -0.872 6.183 19.400 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.029 8.490 19.892 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.196 7.530 21.348 1.00 0.00 H new ATOM 0 HG SER A 67 1.811 8.690 21.286 1.00 0.00 H new ATOM 1067 N PRO A 68 0.137 7.203 17.216 1.00 0.00 N ATOM 1068 CA PRO A 68 0.714 7.614 15.936 1.00 0.00 C ATOM 1069 C PRO A 68 1.702 8.776 16.134 1.00 0.00 C ATOM 1070 O PRO A 68 1.647 9.486 17.141 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.485 8.025 15.076 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.479 8.566 16.099 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.250 7.651 17.302 1.00 0.00 C ATOM 0 HA PRO A 68 1.287 6.817 15.462 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.212 8.782 14.340 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.895 7.178 14.525 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.283 9.611 16.341 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.505 8.510 15.736 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.430 8.184 18.236 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.935 6.803 17.282 1.00 0.00 H new ATOM 1081 N GLY A 69 2.610 8.983 15.170 1.00 0.00 N ATOM 1082 CA GLY A 69 3.673 9.994 15.294 1.00 0.00 C ATOM 1083 C GLY A 69 4.805 9.833 14.287 1.00 0.00 C ATOM 1084 O GLY A 69 5.917 9.447 14.648 1.00 0.00 O ATOM 0 H GLY A 69 2.631 8.463 14.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.233 10.984 15.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.088 9.948 16.301 1.00 0.00 H new ATOM 1088 N LYS A 70 4.504 10.134 13.022 1.00 0.00 N ATOM 1089 CA LYS A 70 5.395 10.058 11.851 1.00 0.00 C ATOM 1090 C LYS A 70 4.974 11.084 10.780 1.00 0.00 C ATOM 1091 O LYS A 70 3.975 11.788 10.942 1.00 0.00 O ATOM 1092 CB LYS A 70 5.353 8.629 11.258 1.00 0.00 C ATOM 1093 CG LYS A 70 5.969 7.516 12.108 1.00 0.00 C ATOM 1094 CD LYS A 70 7.483 7.632 12.325 1.00 0.00 C ATOM 1095 CE LYS A 70 8.019 6.546 13.272 1.00 0.00 C ATOM 1096 NZ LYS A 70 7.637 6.791 14.690 1.00 0.00 N ATOM 0 H LYS A 70 3.572 10.459 12.766 1.00 0.00 H new ATOM 0 HA LYS A 70 6.412 10.290 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.312 8.372 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.864 8.645 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.477 7.507 13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.757 6.557 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.993 7.558 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.715 8.615 12.734 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.638 5.574 12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.105 6.503 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.407 6.478 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.466 7.807 14.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.772 6.259 14.913 1.00 0.00 H new ATOM 1110 N ASP A 71 5.674 11.105 9.643 1.00 0.00 N ATOM 1111 CA ASP A 71 5.340 11.952 8.482 1.00 0.00 C ATOM 1112 C ASP A 71 3.958 11.626 7.871 1.00 0.00 C ATOM 1113 O ASP A 71 3.318 12.499 7.288 1.00 0.00 O ATOM 1114 CB ASP A 71 6.456 11.831 7.430 1.00 0.00 C ATOM 1115 CG ASP A 71 6.351 12.883 6.310 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.214 14.088 6.616 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.459 12.518 5.116 1.00 0.00 O ATOM 0 H ASP A 71 6.502 10.528 9.495 1.00 0.00 H new ATOM 0 HA ASP A 71 5.271 12.982 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.423 11.930 7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.424 10.835 6.988 1.00 0.00 H new ATOM 1122 N CYS A 72 3.466 10.394 8.064 1.00 0.00 N ATOM 1123 CA CYS A 72 2.118 9.953 7.666 1.00 0.00 C ATOM 1124 C CYS A 72 1.096 9.936 8.820 1.00 0.00 C ATOM 1125 O CYS A 72 -0.077 9.655 8.582 1.00 0.00 O ATOM 1126 CB CYS A 72 2.225 8.580 6.994 1.00 0.00 C ATOM 1127 SG CYS A 72 3.403 8.523 5.615 1.00 0.00 S ATOM 0 H CYS A 72 4.008 9.656 8.513 1.00 0.00 H new ATOM 0 HA CYS A 72 1.728 10.689 6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.520 7.843 7.741 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.240 8.288 6.630 1.00 0.00 H new ATOM 0 HG CYS A 72 4.515 7.982 6.016 1.00 0.00 H new ATOM 1132 N ASN A 73 1.524 10.229 10.058 1.00 0.00 N ATOM 1133 CA ASN A 73 0.677 10.410 11.248 1.00 0.00 C ATOM 1134 C ASN A 73 -0.312 9.243 11.480 1.00 0.00 C ATOM 1135 O ASN A 73 -1.524 9.438 11.594 1.00 0.00 O ATOM 1136 CB ASN A 73 0.013 11.801 11.196 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.658 12.191 12.514 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.278 11.749 13.593 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.673 13.036 12.465 1.00 0.00 N ATOM 0 H ASN A 73 2.515 10.352 10.266 1.00 0.00 H new ATOM 0 HA ASN A 73 1.310 10.378 12.135 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.765 12.548 10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.730 11.814 10.398 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.141 13.321 13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.988 13.403 11.567 1.00 0.00 H new ATOM 1146 N VAL A 74 0.217 8.014 11.515 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.566 6.770 11.555 1.00 0.00 C ATOM 1148 C VAL A 74 0.190 5.659 12.292 1.00 0.00 C ATOM 1149 O VAL A 74 1.413 5.548 12.205 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.988 6.354 10.124 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.202 5.926 9.247 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.046 5.246 10.157 1.00 0.00 C ATOM 0 H VAL A 74 1.224 7.852 11.516 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.478 6.949 12.124 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.420 7.245 9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.158 5.646 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.904 6.755 9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.703 5.073 9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.322 4.976 9.138 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.642 4.372 10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.928 5.601 10.689 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.552 4.853 13.049 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.041 3.748 13.863 1.00 0.00 C ATOM 1164 C LYS A 75 -0.075 2.417 13.084 1.00 0.00 C ATOM 1165 O LYS A 75 -1.074 2.096 12.443 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.880 3.711 15.156 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.130 3.106 16.350 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.892 3.238 17.680 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.030 2.228 17.895 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.361 2.734 17.462 1.00 0.00 N ATOM 0 H LYS A 75 -1.565 4.954 13.116 1.00 0.00 H new ATOM 0 HA LYS A 75 1.008 3.900 14.118 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.192 4.725 15.408 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.787 3.134 14.976 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.062 2.051 16.153 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.840 3.594 16.445 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.179 3.135 18.498 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.306 4.244 17.743 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.802 1.313 17.348 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.076 1.964 18.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.109 2.148 17.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.476 3.720 17.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.429 2.688 16.425 1.00 0.00 H new ATOM 1184 N CYS A 76 0.995 1.618 13.151 1.00 0.00 N ATOM 1185 CA CYS A 76 1.145 0.304 12.495 1.00 0.00 C ATOM 1186 C CYS A 76 -0.053 -0.642 12.695 1.00 0.00 C ATOM 1187 O CYS A 76 -0.445 -1.348 11.772 1.00 0.00 O ATOM 1188 CB CYS A 76 2.396 -0.370 13.070 1.00 0.00 C ATOM 1189 SG CYS A 76 3.935 0.539 12.839 1.00 0.00 S ATOM 0 H CYS A 76 1.822 1.877 13.688 1.00 0.00 H new ATOM 0 HA CYS A 76 1.217 0.489 11.423 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.244 -0.530 14.137 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.502 -1.354 12.612 1.00 0.00 H new ATOM 0 HG CYS A 76 4.115 0.773 11.573 1.00 0.00 H new ATOM 1194 N SER A 77 -0.663 -0.638 13.884 1.00 0.00 N ATOM 1195 CA SER A 77 -1.809 -1.505 14.206 1.00 0.00 C ATOM 1196 C SER A 77 -3.112 -1.071 13.501 1.00 0.00 C ATOM 1197 O SER A 77 -3.918 -1.919 13.116 1.00 0.00 O ATOM 1198 CB SER A 77 -1.997 -1.549 15.730 1.00 0.00 C ATOM 1199 OG SER A 77 -2.872 -2.597 16.120 1.00 0.00 O ATOM 0 H SER A 77 -0.378 -0.033 14.655 1.00 0.00 H new ATOM 0 HA SER A 77 -1.586 -2.503 13.830 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.029 -1.684 16.213 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.395 -0.595 16.076 1.00 0.00 H new ATOM 0 HG SER A 77 -2.968 -2.597 17.095 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.302 0.230 13.229 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.452 0.725 12.455 1.00 0.00 C ATOM 1207 C ASP A 78 -4.384 0.305 10.975 1.00 0.00 C ATOM 1208 O ASP A 78 -5.416 0.221 10.309 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.569 2.252 12.584 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.123 2.669 13.951 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.365 2.763 14.093 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.314 2.910 14.875 1.00 0.00 O ATOM 0 H ASP A 78 -2.666 0.965 13.538 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.347 0.266 12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.589 2.705 12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.219 2.634 11.797 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.191 -0.039 10.473 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.999 -0.546 9.111 1.00 0.00 C ATOM 1219 C LEU A 79 -3.520 -1.984 8.936 1.00 0.00 C ATOM 1220 O LEU A 79 -3.701 -2.429 7.803 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.515 -0.455 8.698 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.778 0.862 9.008 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.620 0.790 8.389 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.508 2.086 8.452 1.00 0.00 C ATOM 0 H LEU A 79 -2.325 0.028 11.007 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.591 0.090 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.977 -1.267 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.451 -0.633 7.625 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.731 0.976 10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.158 1.714 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.165 -0.052 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.534 0.656 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.947 2.987 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.595 1.997 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.503 2.147 8.892 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.783 -2.693 10.043 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.243 -4.087 10.075 1.00 0.00 C ATOM 1238 C LEU A 80 -5.777 -4.216 10.176 1.00 0.00 C ATOM 1239 O LEU A 80 -6.285 -5.324 10.383 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.536 -4.843 11.219 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.996 -4.751 11.241 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.472 -5.543 12.449 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.345 -5.271 9.951 1.00 0.00 C ATOM 0 H LEU A 80 -3.677 -2.295 10.976 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.973 -4.543 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.916 -4.464 12.168 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.816 -5.895 11.160 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.727 -3.698 11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.384 -5.486 12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.881 -5.120 13.367 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.779 -6.585 12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.262 -5.180 10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.612 -6.318 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.699 -4.685 9.103 1.00 0.00 H new ATOM 1255 N THR A 81 -6.516 -3.102 10.071 1.00 0.00 N ATOM 1256 CA THR A 81 -7.989 -3.046 10.169 1.00 0.00 C ATOM 1257 C THR A 81 -8.675 -3.509 8.879 1.00 0.00 C ATOM 1258 O THR A 81 -8.027 -3.871 7.898 1.00 0.00 O ATOM 1259 CB THR A 81 -8.464 -1.650 10.606 1.00 0.00 C ATOM 1260 OG1 THR A 81 -8.039 -0.666 9.694 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.971 -1.288 12.010 1.00 0.00 C ATOM 0 H THR A 81 -6.097 -2.186 9.911 1.00 0.00 H new ATOM 0 HA THR A 81 -8.288 -3.751 10.944 1.00 0.00 H new ATOM 0 HB THR A 81 -9.553 -1.683 10.624 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.133 -0.374 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.330 -0.294 12.277 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.350 -2.016 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.881 -1.296 12.026 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.006 -3.558 8.893 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.858 -4.030 7.789 1.00 0.00 C ATOM 1271 C ASP A 82 -11.146 -2.979 6.697 1.00 0.00 C ATOM 1272 O ASP A 82 -11.758 -3.294 5.675 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.165 -4.567 8.383 1.00 0.00 C ATOM 1274 CG ASP A 82 -13.017 -3.477 9.058 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.609 -2.984 10.138 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -14.101 -3.139 8.526 1.00 0.00 O ATOM 0 H ASP A 82 -10.548 -3.259 9.704 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.304 -4.814 7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.749 -5.038 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.933 -5.342 9.113 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.677 -1.749 6.895 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.655 -0.679 5.892 1.00 0.00 C ATOM 1283 C ASP A 83 -9.200 -0.291 5.598 1.00 0.00 C ATOM 1284 O ASP A 83 -8.433 0.079 6.491 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.485 0.530 6.354 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.710 1.590 5.252 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.891 1.692 4.306 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.714 2.334 5.358 1.00 0.00 O ATOM 0 H ASP A 83 -10.287 -1.456 7.791 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.112 -1.039 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.453 0.179 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.985 1.000 7.201 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.821 -0.365 4.322 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.458 -0.099 3.848 1.00 0.00 C ATOM 1295 C ILE A 84 -7.033 1.369 4.017 1.00 0.00 C ATOM 1296 O ILE A 84 -5.843 1.647 3.890 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.295 -0.565 2.377 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -8.006 0.396 1.405 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.823 -1.996 2.179 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.777 0.100 -0.074 1.00 0.00 C ATOM 0 H ILE A 84 -9.464 -0.617 3.572 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.786 -0.680 4.480 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.228 -0.558 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.077 0.365 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.672 1.413 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.694 -2.291 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.269 -2.680 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.881 -2.032 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.317 0.829 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.712 0.162 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.139 -0.902 -0.305 1.00 0.00 H new ATOM 1312 N THR A 85 -7.968 2.301 4.271 1.00 0.00 N ATOM 1313 CA THR A 85 -7.750 3.764 4.245 1.00 0.00 C ATOM 1314 C THR A 85 -6.591 4.241 5.111 1.00 0.00 C ATOM 1315 O THR A 85 -5.838 5.119 4.698 1.00 0.00 O ATOM 1316 CB THR A 85 -9.054 4.501 4.566 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.886 5.876 4.306 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.524 4.331 6.010 1.00 0.00 C ATOM 0 H THR A 85 -8.928 2.052 4.508 1.00 0.00 H new ATOM 0 HA THR A 85 -7.446 4.013 3.228 1.00 0.00 H new ATOM 0 HB THR A 85 -9.820 4.058 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.719 6.351 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.453 4.882 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.693 3.274 6.216 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.762 4.715 6.688 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.361 3.608 6.264 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.229 3.928 7.145 1.00 0.00 C ATOM 1328 C LYS A 86 -3.873 3.684 6.450 1.00 0.00 C ATOM 1329 O LYS A 86 -2.928 4.454 6.628 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.353 3.105 8.442 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.701 3.238 9.177 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.012 4.668 9.639 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.291 4.661 10.488 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.636 6.019 10.986 1.00 0.00 N ATOM 0 H LYS A 86 -6.955 2.857 6.616 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.262 4.990 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.190 2.054 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.556 3.405 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.499 2.897 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.699 2.578 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.179 5.064 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.138 5.322 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.118 4.271 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.161 3.987 11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.506 5.970 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.858 6.381 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.786 6.657 10.179 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.797 2.647 5.610 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.632 2.308 4.796 1.00 0.00 C ATOM 1350 C ALA A 87 -2.627 3.070 3.461 1.00 0.00 C ATOM 1351 O ALA A 87 -1.579 3.545 3.036 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.624 0.782 4.605 1.00 0.00 C ATOM 0 H ALA A 87 -4.574 2.000 5.476 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.716 2.615 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.764 0.496 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.562 0.294 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.541 0.473 4.102 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.792 3.253 2.835 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.939 3.911 1.539 1.00 0.00 C ATOM 1360 C ALA A 88 -3.627 5.413 1.589 1.00 0.00 C ATOM 1361 O ALA A 88 -2.912 5.917 0.730 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.351 3.633 1.015 1.00 0.00 C ATOM 0 H ALA A 88 -4.680 2.939 3.227 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.202 3.498 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.481 4.116 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.494 2.558 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.084 4.027 1.719 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.073 6.138 2.617 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.731 7.557 2.796 1.00 0.00 C ATOM 1370 C LYS A 89 -2.239 7.760 3.119 1.00 0.00 C ATOM 1371 O LYS A 89 -1.624 8.729 2.670 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.618 8.149 3.897 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.091 8.253 3.458 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.023 8.717 4.586 1.00 0.00 C ATOM 1375 CE LYS A 89 -6.699 10.139 5.064 1.00 0.00 C ATOM 1376 NZ LYS A 89 -7.667 10.609 6.090 1.00 0.00 N ATOM 0 H LYS A 89 -4.679 5.764 3.347 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.915 8.078 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.549 7.529 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.249 9.139 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.167 8.949 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.425 7.281 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.056 8.680 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.944 8.027 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.691 10.163 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.711 10.820 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.416 11.573 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.626 10.610 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.637 9.973 6.912 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.629 6.805 3.829 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.179 6.752 4.047 1.00 0.00 C ATOM 1392 C CYS A 90 0.567 6.450 2.737 1.00 0.00 C ATOM 1393 O CYS A 90 1.570 7.096 2.438 1.00 0.00 O ATOM 1394 CB CYS A 90 0.097 5.734 5.160 1.00 0.00 C ATOM 1395 SG CYS A 90 1.831 5.506 5.617 1.00 0.00 S ATOM 0 H CYS A 90 -2.134 6.038 4.274 1.00 0.00 H new ATOM 0 HA CYS A 90 0.201 7.721 4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.455 6.040 6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.306 4.770 4.851 1.00 0.00 H new ATOM 0 HG CYS A 90 2.474 6.624 5.452 1.00 0.00 H new ATOM 1400 N ALA A 91 0.022 5.578 1.884 1.00 0.00 N ATOM 1401 CA ALA A 91 0.526 5.325 0.536 1.00 0.00 C ATOM 1402 C ALA A 91 0.484 6.577 -0.360 1.00 0.00 C ATOM 1403 O ALA A 91 1.466 6.829 -1.055 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.242 4.145 -0.062 1.00 0.00 C ATOM 0 H ALA A 91 -0.798 5.018 2.118 1.00 0.00 H new ATOM 0 HA ALA A 91 1.583 5.066 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.124 3.945 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.094 3.262 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.304 4.386 -0.104 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.553 7.429 -0.288 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.531 8.741 -0.960 1.00 0.00 C ATOM 1412 C LYS A 92 0.596 9.648 -0.428 1.00 0.00 C ATOM 1413 O LYS A 92 1.305 10.277 -1.212 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.880 9.475 -0.832 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.149 8.696 -1.208 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.142 7.965 -2.558 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.778 8.831 -3.777 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.759 9.923 -4.023 1.00 0.00 N ATOM 0 H LYS A 92 -1.413 7.235 0.226 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.341 8.533 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.984 9.810 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.837 10.369 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.340 7.961 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.988 9.392 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.437 7.136 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.129 7.533 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.789 9.264 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.717 8.197 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.397 10.554 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.665 9.513 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.901 10.466 -3.147 1.00 0.00 H new ATOM 1432 N LYS A 93 0.810 9.683 0.893 1.00 0.00 N ATOM 1433 CA LYS A 93 1.887 10.463 1.527 1.00 0.00 C ATOM 1434 C LYS A 93 3.298 9.920 1.206 1.00 0.00 C ATOM 1435 O LYS A 93 4.265 10.679 1.225 1.00 0.00 O ATOM 1436 CB LYS A 93 1.600 10.563 3.036 1.00 0.00 C ATOM 1437 CG LYS A 93 2.552 11.470 3.837 1.00 0.00 C ATOM 1438 CD LYS A 93 2.628 12.914 3.323 1.00 0.00 C ATOM 1439 CE LYS A 93 3.386 13.777 4.339 1.00 0.00 C ATOM 1440 NZ LYS A 93 3.472 15.199 3.921 1.00 0.00 N ATOM 0 H LYS A 93 0.237 9.167 1.560 1.00 0.00 H new ATOM 0 HA LYS A 93 1.893 11.468 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.582 10.927 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.639 9.560 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.232 11.484 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.552 11.036 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.133 12.942 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.624 13.310 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.889 13.715 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.392 13.379 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.993 15.741 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.970 15.264 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.513 15.590 3.820 1.00 0.00 H new ATOM 1454 N ILE A 94 3.420 8.644 0.832 1.00 0.00 N ATOM 1455 CA ILE A 94 4.656 8.080 0.260 1.00 0.00 C ATOM 1456 C ILE A 94 4.787 8.478 -1.216 1.00 0.00 C ATOM 1457 O ILE A 94 5.848 8.939 -1.625 1.00 0.00 O ATOM 1458 CB ILE A 94 4.713 6.547 0.448 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.780 6.171 1.944 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.957 6.018 -0.290 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.484 4.695 2.238 1.00 0.00 C ATOM 0 H ILE A 94 2.663 7.965 0.916 1.00 0.00 H new ATOM 0 HA ILE A 94 5.508 8.496 0.798 1.00 0.00 H new ATOM 0 HB ILE A 94 3.808 6.097 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.773 6.413 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.070 6.788 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.018 4.936 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.883 6.263 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.852 6.480 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.552 4.517 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.480 4.450 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.209 4.068 1.719 1.00 0.00 H new ATOM 1473 N TYR A 95 3.716 8.376 -2.007 1.00 0.00 N ATOM 1474 CA TYR A 95 3.680 8.766 -3.426 1.00 0.00 C ATOM 1475 C TYR A 95 4.079 10.234 -3.669 1.00 0.00 C ATOM 1476 O TYR A 95 4.710 10.552 -4.679 1.00 0.00 O ATOM 1477 CB TYR A 95 2.304 8.383 -4.006 1.00 0.00 C ATOM 1478 CG TYR A 95 1.748 9.222 -5.145 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.195 10.492 -4.880 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.716 8.711 -6.457 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.656 11.265 -5.925 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.182 9.478 -7.509 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.654 10.764 -7.247 1.00 0.00 C ATOM 1484 OH TYR A 95 0.132 11.515 -8.256 1.00 0.00 O ATOM 0 H TYR A 95 2.824 8.011 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 95 4.447 8.212 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.363 7.351 -4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.581 8.406 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.185 10.873 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.104 7.723 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.244 12.241 -5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.175 9.085 -8.515 1.00 0.00 H new ATOM 0 HH TYR A 95 0.209 11.026 -9.102 1.00 0.00 H new ATOM 1494 N LYS A 96 3.809 11.113 -2.698 1.00 0.00 N ATOM 1495 CA LYS A 96 4.295 12.499 -2.636 1.00 0.00 C ATOM 1496 C LYS A 96 5.835 12.631 -2.652 1.00 0.00 C ATOM 1497 O LYS A 96 6.356 13.643 -3.125 1.00 0.00 O ATOM 1498 CB LYS A 96 3.742 13.112 -1.338 1.00 0.00 C ATOM 1499 CG LYS A 96 2.264 13.535 -1.413 1.00 0.00 C ATOM 1500 CD LYS A 96 2.048 14.805 -2.250 1.00 0.00 C ATOM 1501 CE LYS A 96 0.566 15.205 -2.223 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.314 16.442 -3.008 1.00 0.00 N ATOM 0 H LYS A 96 3.222 10.870 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 96 3.949 13.018 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.860 12.389 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.344 13.983 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.679 12.720 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.887 13.702 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.660 15.617 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.368 14.632 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.038 14.391 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.250 15.358 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.698 16.680 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.871 17.225 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.592 16.288 -3.998 1.00 0.00 H new ATOM 1516 N ARG A 97 6.552 11.620 -2.145 1.00 0.00 N ATOM 1517 CA ARG A 97 8.021 11.531 -2.130 1.00 0.00 C ATOM 1518 C ARG A 97 8.530 10.667 -3.296 1.00 0.00 C ATOM 1519 O ARG A 97 9.471 11.050 -3.990 1.00 0.00 O ATOM 1520 CB ARG A 97 8.509 10.933 -0.792 1.00 0.00 C ATOM 1521 CG ARG A 97 7.888 11.519 0.489 1.00 0.00 C ATOM 1522 CD ARG A 97 8.066 13.030 0.654 1.00 0.00 C ATOM 1523 NE ARG A 97 7.593 13.459 1.983 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.651 14.682 2.489 1.00 0.00 C ATOM 1525 NH1 ARG A 97 8.101 15.710 1.797 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.250 14.883 3.723 1.00 0.00 N ATOM 0 H ARG A 97 6.108 10.808 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 97 8.420 12.539 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.314 9.861 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.590 11.060 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.822 11.290 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.329 11.019 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.116 13.295 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.512 13.555 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 97 7.178 12.739 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.420 15.578 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.130 16.637 2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.900 14.103 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.289 15.819 4.126 1.00 0.00 H new ATOM 1540 N HIS A 98 7.877 9.525 -3.531 1.00 0.00 N ATOM 1541 CA HIS A 98 8.235 8.478 -4.496 1.00 0.00 C ATOM 1542 C HIS A 98 6.969 7.738 -4.986 1.00 0.00 C ATOM 1543 O HIS A 98 6.472 6.837 -4.306 1.00 0.00 O ATOM 1544 CB HIS A 98 9.204 7.486 -3.820 1.00 0.00 C ATOM 1545 CG HIS A 98 10.508 8.071 -3.352 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.579 8.432 -4.173 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.839 8.314 -2.051 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.528 8.894 -3.340 1.00 0.00 C ATOM 1549 NE2 HIS A 98 12.113 8.837 -2.061 1.00 0.00 N ATOM 0 H HIS A 98 7.027 9.291 -3.018 1.00 0.00 H new ATOM 0 HA HIS A 98 8.718 8.932 -5.361 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.699 7.038 -2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.419 6.680 -4.521 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.223 8.132 -1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.494 9.261 -3.655 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.648 9.130 -1.243 1.00 0.00 H new ATOM 1557 N ARG A 99 6.444 8.103 -6.167 1.00 0.00 N ATOM 1558 CA ARG A 99 5.137 7.652 -6.681 1.00 0.00 C ATOM 1559 C ARG A 99 4.922 6.129 -6.677 1.00 0.00 C ATOM 1560 O ARG A 99 3.856 5.671 -6.272 1.00 0.00 O ATOM 1561 CB ARG A 99 4.846 8.275 -8.038 1.00 0.00 C ATOM 1562 CG ARG A 99 5.828 7.923 -9.157 1.00 0.00 C ATOM 1563 CD ARG A 99 5.330 8.703 -10.364 1.00 0.00 C ATOM 1564 NE ARG A 99 6.140 8.436 -11.565 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.898 8.885 -12.793 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.864 9.656 -13.064 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.706 8.559 -13.778 1.00 0.00 N ATOM 0 H ARG A 99 6.926 8.734 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 99 4.401 8.016 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.846 7.972 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.829 9.359 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.847 8.207 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.837 6.851 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.291 8.441 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.353 9.770 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 99 6.966 7.850 -11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.220 9.926 -12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.708 9.983 -14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.515 7.964 -13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.524 8.901 -14.721 1.00 0.00 H new ATOM 1581 N PHE A 100 5.957 5.366 -7.047 1.00 0.00 N ATOM 1582 CA PHE A 100 5.981 3.896 -7.004 1.00 0.00 C ATOM 1583 C PHE A 100 7.357 3.310 -6.616 1.00 0.00 C ATOM 1584 O PHE A 100 7.451 2.128 -6.290 1.00 0.00 O ATOM 1585 CB PHE A 100 5.570 3.338 -8.371 1.00 0.00 C ATOM 1586 CG PHE A 100 4.219 3.762 -8.910 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.048 3.385 -8.230 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.125 4.496 -10.109 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.792 3.743 -8.738 1.00 0.00 C ATOM 1590 CE2 PHE A 100 2.864 4.856 -10.617 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.697 4.479 -9.930 1.00 0.00 C ATOM 0 H PHE A 100 6.829 5.765 -7.396 1.00 0.00 H new ATOM 0 HA PHE A 100 5.278 3.599 -6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.330 3.627 -9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.584 2.250 -8.311 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.116 2.818 -7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.022 4.782 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.895 3.452 -8.211 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.792 5.422 -11.534 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.728 4.755 -10.319 1.00 0.00 H new ATOM 1601 N ASP A 101 8.427 4.117 -6.628 1.00 0.00 N ATOM 1602 CA ASP A 101 9.819 3.672 -6.441 1.00 0.00 C ATOM 1603 C ASP A 101 10.146 3.217 -5.002 1.00 0.00 C ATOM 1604 O ASP A 101 11.153 2.543 -4.777 1.00 0.00 O ATOM 1605 CB ASP A 101 10.747 4.811 -6.901 1.00 0.00 C ATOM 1606 CG ASP A 101 12.233 4.417 -6.922 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.624 3.613 -7.801 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.012 4.936 -6.090 1.00 0.00 O ATOM 0 H ASP A 101 8.348 5.124 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 101 9.975 2.779 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.450 5.131 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.615 5.667 -6.239 1.00 0.00 H new ATOM 1613 N ALA A 102 9.272 3.530 -4.035 1.00 0.00 N ATOM 1614 CA ALA A 102 9.370 3.073 -2.645 1.00 0.00 C ATOM 1615 C ALA A 102 9.068 1.567 -2.455 1.00 0.00 C ATOM 1616 O ALA A 102 9.285 1.039 -1.362 1.00 0.00 O ATOM 1617 CB ALA A 102 8.447 3.950 -1.788 1.00 0.00 C ATOM 0 H ALA A 102 8.459 4.122 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 102 10.406 3.181 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.503 3.629 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.761 4.991 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.421 3.854 -2.143 1.00 0.00 H new ATOM 1623 N TRP A 103 8.607 0.872 -3.504 1.00 0.00 N ATOM 1624 CA TRP A 103 8.252 -0.551 -3.490 1.00 0.00 C ATOM 1625 C TRP A 103 9.009 -1.323 -4.584 1.00 0.00 C ATOM 1626 O TRP A 103 8.954 -0.993 -5.770 1.00 0.00 O ATOM 1627 CB TRP A 103 6.729 -0.673 -3.621 1.00 0.00 C ATOM 1628 CG TRP A 103 5.933 -0.039 -2.513 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.633 -0.625 -1.334 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.302 1.281 -2.460 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.826 0.204 -0.583 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.575 1.393 -1.235 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.255 2.391 -3.333 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.811 2.527 -0.916 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.501 3.537 -3.020 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.768 3.602 -1.822 1.00 0.00 C ATOM 0 H TRP A 103 8.467 1.302 -4.418 1.00 0.00 H new ATOM 0 HA TRP A 103 8.555 -1.006 -2.547 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.426 -0.224 -4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.469 -1.730 -3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.975 -1.601 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.461 -0.033 0.339 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.809 2.359 -4.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.263 2.573 0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.485 4.372 -3.705 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.173 4.475 -1.598 1.00 0.00 H new ATOM 1647 N TYR A 104 9.726 -2.373 -4.174 1.00 0.00 N ATOM 1648 CA TYR A 104 10.719 -3.068 -5.005 1.00 0.00 C ATOM 1649 C TYR A 104 10.143 -3.922 -6.149 1.00 0.00 C ATOM 1650 O TYR A 104 10.678 -3.905 -7.260 1.00 0.00 O ATOM 1651 CB TYR A 104 11.602 -3.904 -4.066 1.00 0.00 C ATOM 1652 CG TYR A 104 12.907 -4.362 -4.680 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.901 -3.410 -4.972 1.00 0.00 C ATOM 1654 CD2 TYR A 104 13.143 -5.728 -4.932 1.00 0.00 C ATOM 1655 CE1 TYR A 104 15.136 -3.819 -5.513 1.00 0.00 C ATOM 1656 CE2 TYR A 104 14.376 -6.145 -5.470 1.00 0.00 C ATOM 1657 CZ TYR A 104 15.378 -5.190 -5.761 1.00 0.00 C ATOM 1658 OH TYR A 104 16.572 -5.582 -6.287 1.00 0.00 O ATOM 0 H TYR A 104 9.633 -2.772 -3.240 1.00 0.00 H new ATOM 0 HA TYR A 104 11.296 -2.308 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.820 -3.317 -3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 104 11.040 -4.780 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.717 -2.363 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.377 -6.457 -4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.897 -3.086 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.556 -7.193 -5.660 1.00 0.00 H new ATOM 0 HH TYR A 104 16.578 -6.556 -6.395 1.00 0.00 H new ATOM 1668 N GLY A 105 9.026 -4.620 -5.919 1.00 0.00 N ATOM 1669 CA GLY A 105 8.357 -5.457 -6.931 1.00 0.00 C ATOM 1670 C GLY A 105 7.722 -4.655 -8.066 1.00 0.00 C ATOM 1671 O GLY A 105 7.579 -5.180 -9.169 1.00 0.00 O ATOM 0 H GLY A 105 8.552 -4.622 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.082 -6.154 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.586 -6.055 -6.444 1.00 0.00 H new ATOM 1675 N TRP A 106 7.420 -3.370 -7.851 1.00 0.00 N ATOM 1676 CA TRP A 106 6.890 -2.515 -8.911 1.00 0.00 C ATOM 1677 C TRP A 106 7.938 -2.283 -10.012 1.00 0.00 C ATOM 1678 O TRP A 106 7.637 -2.396 -11.201 1.00 0.00 O ATOM 1679 CB TRP A 106 6.351 -1.200 -8.345 1.00 0.00 C ATOM 1680 CG TRP A 106 5.945 -0.246 -9.423 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.764 -0.231 -10.082 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.768 0.776 -10.059 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.805 0.723 -11.082 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.020 1.375 -11.116 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.077 1.252 -9.841 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.557 2.384 -11.930 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.631 2.254 -10.656 1.00 0.00 C ATOM 1688 CH2 TRP A 106 7.875 2.822 -11.698 1.00 0.00 C ATOM 0 H TRP A 106 7.535 -2.902 -6.952 1.00 0.00 H new ATOM 0 HA TRP A 106 6.049 -3.032 -9.372 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.494 -1.406 -7.703 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.113 -0.736 -7.719 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.919 -0.866 -9.861 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.031 0.920 -11.717 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.664 0.840 -9.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 5.967 2.819 -12.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.643 2.590 -10.482 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.305 3.593 -12.319 1.00 0.00 H new ATOM 1699 N LYS A 107 9.188 -2.019 -9.618 1.00 0.00 N ATOM 1700 CA LYS A 107 10.317 -1.764 -10.526 1.00 0.00 C ATOM 1701 C LYS A 107 11.047 -3.037 -11.008 1.00 0.00 C ATOM 1702 O LYS A 107 11.762 -2.975 -12.010 1.00 0.00 O ATOM 1703 CB LYS A 107 11.266 -0.718 -9.902 1.00 0.00 C ATOM 1704 CG LYS A 107 11.754 -1.048 -8.480 1.00 0.00 C ATOM 1705 CD LYS A 107 12.556 0.090 -7.835 1.00 0.00 C ATOM 1706 CE LYS A 107 13.841 0.429 -8.603 1.00 0.00 C ATOM 1707 NZ LYS A 107 14.549 1.576 -7.980 1.00 0.00 N ATOM 0 H LYS A 107 9.452 -1.975 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 107 9.903 -1.349 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.135 -0.605 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.757 0.245 -9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.893 -1.278 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.372 -1.945 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.930 0.980 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.813 -0.188 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.497 -0.441 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.598 0.667 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.405 1.795 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.923 2.406 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.816 1.331 -7.005 1.00 0.00 H new ATOM 1721 N ASN A 108 10.834 -4.189 -10.360 1.00 0.00 N ATOM 1722 CA ASN A 108 11.413 -5.482 -10.769 1.00 0.00 C ATOM 1723 C ASN A 108 10.456 -6.381 -11.579 1.00 0.00 C ATOM 1724 O ASN A 108 10.923 -7.120 -12.447 1.00 0.00 O ATOM 1725 CB ASN A 108 11.941 -6.229 -9.533 1.00 0.00 C ATOM 1726 CG ASN A 108 13.283 -5.668 -9.077 1.00 0.00 C ATOM 1727 OD1 ASN A 108 14.342 -6.134 -9.480 1.00 0.00 O ATOM 1728 ND2 ASN A 108 13.282 -4.647 -8.242 1.00 0.00 N ATOM 0 H ASN A 108 10.249 -4.254 -9.527 1.00 0.00 H new ATOM 0 HA ASN A 108 12.232 -5.248 -11.449 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.217 -6.151 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.047 -7.289 -9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 108 14.165 -4.243 -7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 108 12.398 -4.262 -7.909 1.00 0.00 H new ATOM 1735 N HIS A 109 9.137 -6.312 -11.342 1.00 0.00 N ATOM 1736 CA HIS A 109 8.154 -7.250 -11.918 1.00 0.00 C ATOM 1737 C HIS A 109 6.986 -6.555 -12.648 1.00 0.00 C ATOM 1738 O HIS A 109 6.631 -6.955 -13.759 1.00 0.00 O ATOM 1739 CB HIS A 109 7.630 -8.176 -10.806 1.00 0.00 C ATOM 1740 CG HIS A 109 8.708 -8.891 -10.035 1.00 0.00 C ATOM 1741 ND1 HIS A 109 9.676 -9.736 -10.584 1.00 0.00 N ATOM 1742 CD2 HIS A 109 8.893 -8.823 -8.684 1.00 0.00 C ATOM 1743 CE1 HIS A 109 10.424 -10.148 -9.547 1.00 0.00 C ATOM 1744 NE2 HIS A 109 9.980 -9.617 -8.394 1.00 0.00 N ATOM 0 H HIS A 109 8.718 -5.601 -10.743 1.00 0.00 H new ATOM 0 HA HIS A 109 8.670 -7.830 -12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.032 -7.587 -10.111 1.00 0.00 H new ATOM 0 HB3 HIS A 109 6.965 -8.917 -11.250 1.00 0.00 H new ATOM 0 HD2 HIS A 109 8.302 -8.257 -7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 109 11.269 -10.816 -9.628 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.378 -9.775 -7.468 1.00 0.00 H new ATOM 1752 N CYS A 110 6.427 -5.474 -12.087 1.00 0.00 N ATOM 1753 CA CYS A 110 5.276 -4.762 -12.681 1.00 0.00 C ATOM 1754 C CYS A 110 5.625 -3.944 -13.944 1.00 0.00 C ATOM 1755 O CYS A 110 4.725 -3.464 -14.633 1.00 0.00 O ATOM 1756 CB CYS A 110 4.589 -3.890 -11.620 1.00 0.00 C ATOM 1757 SG CYS A 110 4.155 -4.748 -10.079 1.00 0.00 S ATOM 0 H CYS A 110 6.755 -5.066 -11.212 1.00 0.00 H new ATOM 0 HA CYS A 110 4.582 -5.529 -13.024 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.245 -3.054 -11.379 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.681 -3.469 -12.051 1.00 0.00 H new ATOM 0 HG CYS A 110 5.241 -5.096 -9.456 1.00 0.00 H new ATOM 1762 N GLN A 111 6.913 -3.819 -14.287 1.00 0.00 N ATOM 1763 CA GLN A 111 7.374 -3.206 -15.542 1.00 0.00 C ATOM 1764 C GLN A 111 7.137 -4.106 -16.770 1.00 0.00 C ATOM 1765 O GLN A 111 7.066 -3.595 -17.890 1.00 0.00 O ATOM 1766 CB GLN A 111 8.878 -2.876 -15.454 1.00 0.00 C ATOM 1767 CG GLN A 111 9.284 -1.971 -14.279 1.00 0.00 C ATOM 1768 CD GLN A 111 8.550 -0.629 -14.265 1.00 0.00 C ATOM 1769 OE1 GLN A 111 8.696 0.206 -15.149 1.00 0.00 O ATOM 1770 NE2 GLN A 111 7.733 -0.369 -13.267 1.00 0.00 N ATOM 0 H GLN A 111 7.676 -4.145 -13.693 1.00 0.00 H new ATOM 0 HA GLN A 111 6.787 -2.297 -15.673 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.435 -3.810 -15.381 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.183 -2.395 -16.384 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.088 -2.494 -13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.358 -1.789 -14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.601 -1.055 -12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.231 0.518 -13.237 1.00 0.00 H new ATOM 1779 N GLY A 112 7.011 -5.431 -16.586 1.00 0.00 N ATOM 1780 CA GLY A 112 6.868 -6.397 -17.685 1.00 0.00 C ATOM 1781 C GLY A 112 5.443 -6.490 -18.237 1.00 0.00 C ATOM 1782 O GLY A 112 5.261 -6.704 -19.433 1.00 0.00 O ATOM 0 H GLY A 112 7.006 -5.864 -15.662 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.544 -6.118 -18.493 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.178 -7.382 -17.335 1.00 0.00 H new ATOM 1786 N SER A 113 4.440 -6.309 -17.377 1.00 0.00 N ATOM 1787 CA SER A 113 2.999 -6.332 -17.671 1.00 0.00 C ATOM 1788 C SER A 113 2.193 -5.892 -16.436 1.00 0.00 C ATOM 1789 O SER A 113 2.541 -6.243 -15.304 1.00 0.00 O ATOM 1790 CB SER A 113 2.536 -7.744 -18.075 1.00 0.00 C ATOM 1791 OG SER A 113 2.744 -8.013 -19.456 1.00 0.00 O ATOM 0 H SER A 113 4.621 -6.130 -16.389 1.00 0.00 H new ATOM 0 HA SER A 113 2.825 -5.644 -18.498 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.073 -8.483 -17.480 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.477 -7.856 -17.842 1.00 0.00 H new ATOM 0 HG SER A 113 3.620 -7.669 -19.728 1.00 0.00 H new ATOM 1797 N LEU A 114 1.095 -5.155 -16.652 1.00 0.00 N ATOM 1798 CA LEU A 114 0.104 -4.800 -15.630 1.00 0.00 C ATOM 1799 C LEU A 114 -1.234 -5.527 -15.886 1.00 0.00 C ATOM 1800 O LEU A 114 -1.580 -5.751 -17.052 1.00 0.00 O ATOM 1801 CB LEU A 114 -0.103 -3.276 -15.648 1.00 0.00 C ATOM 1802 CG LEU A 114 1.133 -2.441 -15.259 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.818 -0.960 -15.492 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.537 -2.666 -13.795 1.00 0.00 C ATOM 0 H LEU A 114 0.866 -4.778 -17.572 1.00 0.00 H new ATOM 0 HA LEU A 114 0.469 -5.111 -14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.421 -2.980 -16.648 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.918 -3.028 -14.968 1.00 0.00 H new ATOM 0 HG LEU A 114 1.973 -2.755 -15.879 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.684 -0.357 -15.221 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.579 -0.800 -16.543 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.034 -0.668 -14.878 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.412 -2.059 -13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.712 -2.380 -13.142 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.774 -3.719 -13.641 1.00 0.00 H new ATOM 1816 N PRO A 115 -2.017 -5.851 -14.839 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.328 -6.470 -14.979 1.00 0.00 C ATOM 1818 C PRO A 115 -4.333 -5.477 -15.564 1.00 0.00 C ATOM 1819 O PRO A 115 -4.247 -4.273 -15.319 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.726 -6.895 -13.565 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.037 -5.862 -12.678 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.740 -5.588 -13.435 1.00 0.00 C ATOM 0 HA PRO A 115 -3.309 -7.320 -15.661 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.808 -6.882 -13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.389 -7.907 -13.340 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.638 -4.960 -12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.848 -6.249 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.417 -4.557 -13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.936 -6.228 -13.072 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.300 -5.984 -16.328 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.438 -5.196 -16.809 1.00 0.00 C ATOM 1832 C ASP A 116 -7.487 -4.985 -15.698 1.00 0.00 C ATOM 1833 O ASP A 116 -7.715 -5.838 -14.837 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.048 -5.860 -18.055 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.229 -5.073 -18.656 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.247 -3.821 -18.565 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.148 -5.717 -19.214 1.00 0.00 O ATOM 0 H ASP A 116 -5.318 -6.957 -16.633 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.081 -4.206 -17.092 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.273 -5.972 -18.813 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.386 -6.863 -17.794 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.136 -3.823 -15.754 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.160 -3.338 -14.814 1.00 0.00 C ATOM 1844 C ILE A 117 -10.424 -2.827 -15.527 1.00 0.00 C ATOM 1845 O ILE A 117 -11.348 -2.354 -14.877 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.566 -2.231 -13.915 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -8.142 -1.020 -14.778 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.412 -2.781 -13.050 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.783 0.203 -13.948 1.00 0.00 C ATOM 0 H ILE A 117 -7.954 -3.151 -16.499 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.465 -4.186 -14.201 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.330 -1.884 -13.220 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.286 -1.300 -15.392 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.953 -0.765 -15.460 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.012 -1.982 -12.427 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.785 -3.585 -12.415 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.624 -3.166 -13.697 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.494 1.020 -14.610 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.645 0.505 -13.354 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.952 -0.038 -13.285 1.00 0.00 H new ATOM 1861 N SER A 118 -10.471 -2.887 -16.857 1.00 0.00 N ATOM 1862 CA SER A 118 -11.558 -2.320 -17.681 1.00 0.00 C ATOM 1863 C SER A 118 -12.948 -2.939 -17.416 1.00 0.00 C ATOM 1864 O SER A 118 -13.971 -2.337 -17.749 1.00 0.00 O ATOM 1865 CB SER A 118 -11.218 -2.458 -19.175 1.00 0.00 C ATOM 1866 OG SER A 118 -9.953 -1.890 -19.500 1.00 0.00 O ATOM 0 H SER A 118 -9.743 -3.339 -17.411 1.00 0.00 H new ATOM 0 HA SER A 118 -11.626 -1.271 -17.391 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.220 -3.513 -19.449 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.994 -1.973 -19.767 1.00 0.00 H new ATOM 0 HG SER A 118 -9.238 -2.472 -19.168 1.00 0.00 H new ATOM 1872 N SER A 119 -13.011 -4.117 -16.789 1.00 0.00 N ATOM 1873 CA SER A 119 -14.250 -4.776 -16.349 1.00 0.00 C ATOM 1874 C SER A 119 -14.740 -4.319 -14.955 1.00 0.00 C ATOM 1875 O SER A 119 -15.833 -4.710 -14.534 1.00 0.00 O ATOM 1876 CB SER A 119 -14.033 -6.297 -16.338 1.00 0.00 C ATOM 1877 OG SER A 119 -13.644 -6.788 -17.618 1.00 0.00 O ATOM 0 H SER A 119 -12.176 -4.658 -16.565 1.00 0.00 H new ATOM 0 HA SER A 119 -15.026 -4.489 -17.058 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.267 -6.549 -15.605 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.951 -6.792 -16.023 1.00 0.00 H new ATOM 0 HG SER A 119 -13.514 -7.758 -17.570 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.952 -3.507 -14.232 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.223 -3.043 -12.867 1.00 0.00 C ATOM 1885 C CYS A 120 -14.914 -1.662 -12.853 1.00 0.00 C ATOM 1886 O CYS A 120 -15.978 -1.539 -12.208 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.899 -3.018 -12.085 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.930 -4.553 -12.129 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.370 -0.693 -13.433 1.00 0.00 O ATOM 0 H CYS A 120 -13.073 -3.142 -14.600 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.917 -3.733 -12.388 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.282 -2.209 -12.477 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.117 -2.777 -11.045 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.841 -4.399 -11.436 1.00 0.00 H new