USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 895 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 100 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 MET CE :methyl 171:sc= -0.193 (180deg=-0.754) USER MOD Set 2.2: A 103 THR OG1 : rot -139:sc= -0.366 USER MOD Set 3.1: A 65 MET CE :methyl 154:sc= -0.271 (180deg=-1.31) USER MOD Set 3.2: A 83 SER OG : rot 115:sc= 1.13 USER MOD Set 4.1: A 45 ASN : amide:sc= 1.09 K(o=2.4,f=-5.1!) USER MOD Set 4.2: A 66 THR OG1 : rot -55:sc= 1.27 USER MOD Set 4.3: A 68 MET CE :methyl -143:sc=-0.00746 (180deg=-0.348) USER MOD Set 5.1: A 43 MET CE :methyl -155:sc= -1.47! (180deg=-2.45) USER MOD Set 5.2: A 110 TYR OH : rot 180:sc=-0.00289 USER MOD Set 6.1: A 3 THR OG1 : rot 180:sc= -0.281 USER MOD Set 6.2: A 6 GLN :FLIP amide:sc= -0.948 F(o=-2.3!,f=-1.2) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.181 (180deg=-0.673) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.12 (180deg=0) USER MOD Single : A 8 GLN : amide:sc=-0.00257 K(o=-0.0026,f=-1.7) USER MOD Single : A 9 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.102 F(o=-0.85,f=-0.1) USER MOD Single : A 16 SER OG : rot -83:sc= 1.26 USER MOD Single : A 18 ASN : amide:sc= -0.054 X(o=-0.054,f=-0.48) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0261 (180deg=-0.251) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -115:sc= 1.13 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 163:sc= -0.122 (180deg=-0.283) USER MOD Single : A 38 MET CE :methyl 174:sc= -0.0111 (180deg=-0.035) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.402 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -147:sc= -0.26 (180deg=-0.762) USER MOD Single : A 72 ASN : amide:sc= 0.0809 K(o=0.081,f=-5.6!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0.0588 X(o=0.059,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.04 K(o=1,f=-0.067) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.135 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 1.07 K(o=1.1,f=-0.075) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 97 ASN : amide:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 105 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.19) USER MOD Single : A 106 GLN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 141:sc= 1.29 (180deg=0.235) USER MOD Single : A 116 MET CE :methyl 173:sc= -0.526 (180deg=-0.599) USER MOD Single : A 117 ASN : amide:sc=-0.00471 X(o=-0.0047,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.560 2.437 -7.455 1.00 0.00 N ATOM 2 CA MET A 1 16.480 1.494 -7.205 1.00 0.00 C ATOM 3 C MET A 1 15.935 1.750 -5.805 1.00 0.00 C ATOM 4 O MET A 1 16.647 2.242 -4.928 1.00 0.00 O ATOM 5 CB MET A 1 17.001 0.051 -7.357 1.00 0.00 C ATOM 6 CG MET A 1 16.016 -1.042 -6.928 1.00 0.00 C ATOM 7 SD MET A 1 16.305 -2.731 -7.540 1.00 0.00 S ATOM 8 CE MET A 1 16.311 -2.467 -9.340 1.00 0.00 C ATOM 0 H1 MET A 1 18.377 1.932 -7.854 1.00 0.00 H new ATOM 0 H2 MET A 1 17.239 3.162 -8.128 1.00 0.00 H new ATOM 0 H3 MET A 1 17.837 2.892 -6.562 1.00 0.00 H new ATOM 0 HA MET A 1 15.675 1.628 -7.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.271 -0.114 -8.400 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.914 -0.053 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.008 -1.077 -5.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.018 -0.737 -7.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.121 -3.413 -9.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.533 -1.751 -9.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.282 -2.079 -9.648 1.00 0.00 H new ATOM 18 N VAL A 2 14.676 1.379 -5.594 1.00 0.00 N ATOM 19 CA VAL A 2 14.056 1.421 -4.286 1.00 0.00 C ATOM 20 C VAL A 2 14.859 0.564 -3.287 1.00 0.00 C ATOM 21 O VAL A 2 15.350 -0.519 -3.633 1.00 0.00 O ATOM 22 CB VAL A 2 12.575 1.027 -4.455 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.372 -0.381 -5.048 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.799 1.212 -3.150 1.00 0.00 C ATOM 0 H VAL A 2 14.059 1.040 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 2 14.070 2.421 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 2 12.164 1.714 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.306 -0.588 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.835 -0.431 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.832 -1.121 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.758 0.926 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.238 0.585 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.847 2.257 -2.843 1.00 0.00 H new ATOM 34 N THR A 3 14.979 1.013 -2.035 1.00 0.00 N ATOM 35 CA THR A 3 15.580 0.221 -0.964 1.00 0.00 C ATOM 36 C THR A 3 14.590 0.067 0.189 1.00 0.00 C ATOM 37 O THR A 3 13.619 0.813 0.252 1.00 0.00 O ATOM 38 CB THR A 3 16.913 0.845 -0.514 1.00 0.00 C ATOM 39 OG1 THR A 3 16.835 2.228 -0.259 1.00 0.00 O ATOM 40 CG2 THR A 3 18.008 0.571 -1.533 1.00 0.00 C ATOM 0 H THR A 3 14.662 1.936 -1.737 1.00 0.00 H new ATOM 0 HA THR A 3 15.808 -0.778 -1.335 1.00 0.00 H new ATOM 0 HB THR A 3 17.157 0.365 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.713 2.559 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.941 1.021 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.143 -0.505 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.726 1.000 -2.494 1.00 0.00 H new ATOM 48 N PRO A 4 14.809 -0.880 1.117 1.00 0.00 N ATOM 49 CA PRO A 4 13.976 -1.009 2.310 1.00 0.00 C ATOM 50 C PRO A 4 14.076 0.216 3.219 1.00 0.00 C ATOM 51 O PRO A 4 13.112 0.600 3.888 1.00 0.00 O ATOM 52 CB PRO A 4 14.504 -2.261 3.009 1.00 0.00 C ATOM 53 CG PRO A 4 15.921 -2.460 2.484 1.00 0.00 C ATOM 54 CD PRO A 4 15.809 -1.938 1.061 1.00 0.00 C ATOM 0 HA PRO A 4 12.919 -1.085 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.502 -2.135 4.092 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.879 -3.126 2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.654 -1.902 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.223 -3.507 2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.766 -1.556 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.507 -2.729 0.375 1.00 0.00 H new ATOM 62 N GLU A 5 15.276 0.784 3.298 1.00 0.00 N ATOM 63 CA GLU A 5 15.598 1.862 4.228 1.00 0.00 C ATOM 64 C GLU A 5 14.668 3.065 4.028 1.00 0.00 C ATOM 65 O GLU A 5 13.929 3.429 4.946 1.00 0.00 O ATOM 66 CB GLU A 5 17.082 2.256 4.136 1.00 0.00 C ATOM 67 CG GLU A 5 17.442 2.834 5.512 1.00 0.00 C ATOM 68 CD GLU A 5 18.834 3.447 5.613 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.811 2.665 5.672 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.937 4.687 5.779 1.00 0.00 O ATOM 0 H GLU A 5 16.062 0.505 2.711 1.00 0.00 H new ATOM 0 HA GLU A 5 15.430 1.493 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.703 1.392 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.244 2.991 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.707 3.596 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.356 2.041 6.255 1.00 0.00 H new ATOM 77 N GLN A 6 14.632 3.599 2.803 1.00 0.00 N ATOM 78 CA GLN A 6 13.823 4.729 2.329 1.00 0.00 C ATOM 79 C GLN A 6 12.301 4.478 2.365 1.00 0.00 C ATOM 80 O GLN A 6 11.536 5.146 1.671 1.00 0.00 O ATOM 81 CB GLN A 6 14.315 5.122 0.919 1.00 0.00 C ATOM 82 CG GLN A 6 14.053 4.050 -0.139 1.00 0.00 C ATOM 83 CD GLN A 6 14.696 4.382 -1.480 1.00 0.00 C ATOM 84 OE1 GLN A 6 13.902 4.452 -2.531 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 15.914 4.466 -1.612 1.00 0.00 N flip ATOM 0 H GLN A 6 15.215 3.222 2.056 1.00 0.00 H new ATOM 0 HA GLN A 6 13.966 5.558 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.825 6.047 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.385 5.327 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.435 3.093 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.978 3.933 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.521 4.411 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.319 4.591 -2.540 1.00 0.00 H new ATOM 94 N LEU A 7 11.848 3.484 3.132 1.00 0.00 N ATOM 95 CA LEU A 7 10.467 3.048 3.247 1.00 0.00 C ATOM 96 C LEU A 7 10.118 2.835 4.720 1.00 0.00 C ATOM 97 O LEU A 7 9.129 3.380 5.194 1.00 0.00 O ATOM 98 CB LEU A 7 10.263 1.751 2.453 1.00 0.00 C ATOM 99 CG LEU A 7 10.630 1.823 0.947 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.489 0.400 0.400 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.767 2.757 0.088 1.00 0.00 C ATOM 0 H LEU A 7 12.475 2.935 3.720 1.00 0.00 H new ATOM 0 HA LEU A 7 9.808 3.813 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.859 0.965 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.218 1.453 2.540 1.00 0.00 H new ATOM 0 HG LEU A 7 11.636 2.238 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.737 0.392 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.167 -0.265 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.463 0.058 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.115 2.726 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.727 2.433 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.845 3.776 0.467 1.00 0.00 H new ATOM 113 N GLN A 8 10.928 2.087 5.482 1.00 0.00 N ATOM 114 CA GLN A 8 10.651 1.772 6.893 1.00 0.00 C ATOM 115 C GLN A 8 10.484 3.001 7.786 1.00 0.00 C ATOM 116 O GLN A 8 9.914 2.901 8.867 1.00 0.00 O ATOM 117 CB GLN A 8 11.779 0.901 7.462 1.00 0.00 C ATOM 118 CG GLN A 8 11.635 -0.569 7.042 1.00 0.00 C ATOM 119 CD GLN A 8 12.982 -1.281 6.997 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.189 -2.331 7.600 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.900 -0.752 6.215 1.00 0.00 N ATOM 0 H GLN A 8 11.798 1.681 5.137 1.00 0.00 H new ATOM 0 HA GLN A 8 9.697 1.244 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.741 1.284 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.777 0.970 8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.975 -1.083 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.163 -0.622 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.709 0.121 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.802 -1.215 6.102 1.00 0.00 H new ATOM 130 N HIS A 9 11.003 4.150 7.376 1.00 0.00 N ATOM 131 CA HIS A 9 10.912 5.388 8.137 1.00 0.00 C ATOM 132 C HIS A 9 9.987 6.401 7.443 1.00 0.00 C ATOM 133 O HIS A 9 9.946 7.561 7.855 1.00 0.00 O ATOM 134 CB HIS A 9 12.334 5.908 8.425 1.00 0.00 C ATOM 135 CG HIS A 9 13.014 5.250 9.605 1.00 0.00 C ATOM 136 ND1 HIS A 9 13.840 5.875 10.510 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.923 3.939 9.984 1.00 0.00 C ATOM 138 CE1 HIS A 9 14.205 4.968 11.432 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.638 3.774 11.174 1.00 0.00 N ATOM 0 H HIS A 9 11.506 4.250 6.494 1.00 0.00 H new ATOM 0 HA HIS A 9 10.441 5.209 9.104 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.949 5.759 7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.286 6.982 8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.390 3.163 9.454 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.862 5.169 12.265 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.715 2.924 11.732 1.00 0.00 H new ATOM 147 N HIS A 10 9.220 5.999 6.422 1.00 0.00 N ATOM 148 CA HIS A 10 8.533 6.894 5.497 1.00 0.00 C ATOM 149 C HIS A 10 7.105 6.381 5.264 1.00 0.00 C ATOM 150 O HIS A 10 6.903 5.308 4.700 1.00 0.00 O ATOM 151 CB HIS A 10 9.347 6.985 4.194 1.00 0.00 C ATOM 152 CG HIS A 10 10.791 7.390 4.408 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.823 6.574 4.794 1.00 0.00 N flip ATOM 154 CD2 HIS A 10 11.298 8.662 4.305 1.00 0.00 C flip ATOM 155 CE1 HIS A 10 12.968 7.362 4.944 1.00 0.00 C flip ATOM 156 NE2 HIS A 10 12.606 8.611 4.601 1.00 0.00 N flip ATOM 0 H HIS A 10 9.059 5.013 6.215 1.00 0.00 H new ATOM 0 HA HIS A 10 8.454 7.900 5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.320 6.019 3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.871 7.705 3.528 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.742 9.547 4.034 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.944 7.034 5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.239 9.410 4.570 1.00 0.00 H new ATOM 164 N ARG A 11 6.095 7.118 5.737 1.00 0.00 N ATOM 165 CA ARG A 11 4.693 6.818 5.431 1.00 0.00 C ATOM 166 C ARG A 11 4.435 7.106 3.954 1.00 0.00 C ATOM 167 O ARG A 11 5.046 8.001 3.378 1.00 0.00 O ATOM 168 CB ARG A 11 3.792 7.654 6.355 1.00 0.00 C ATOM 169 CG ARG A 11 2.303 7.729 5.971 1.00 0.00 C ATOM 170 CD ARG A 11 1.592 8.700 6.925 1.00 0.00 C ATOM 171 NE ARG A 11 0.258 8.214 7.293 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.055 7.418 8.326 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.872 6.963 9.165 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.326 7.073 8.484 1.00 0.00 N ATOM 0 H ARG A 11 6.224 7.932 6.338 1.00 0.00 H new ATOM 0 HA ARG A 11 4.467 5.766 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.865 7.247 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.187 8.669 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.196 8.067 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.848 6.740 6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.193 8.833 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.506 9.678 6.452 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.515 8.514 6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.850 7.218 9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.604 6.359 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.032 7.412 7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.598 6.469 9.259 1.00 0.00 H new ATOM 188 N PHE A 12 3.465 6.407 3.370 1.00 0.00 N ATOM 189 CA PHE A 12 2.998 6.643 2.016 1.00 0.00 C ATOM 190 C PHE A 12 1.491 6.525 2.004 1.00 0.00 C ATOM 191 O PHE A 12 0.890 5.830 2.823 1.00 0.00 O ATOM 192 CB PHE A 12 3.615 5.604 1.069 1.00 0.00 C ATOM 193 CG PHE A 12 4.970 6.024 0.563 1.00 0.00 C ATOM 194 CD1 PHE A 12 6.114 5.819 1.352 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.075 6.680 -0.674 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.364 6.268 0.906 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.317 7.159 -1.109 1.00 0.00 C ATOM 198 CZ PHE A 12 7.458 6.944 -0.318 1.00 0.00 C ATOM 0 H PHE A 12 2.974 5.646 3.839 1.00 0.00 H new ATOM 0 HA PHE A 12 3.294 7.637 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.704 4.650 1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.947 5.445 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.030 5.315 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.198 6.815 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.248 6.094 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.397 7.690 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.418 7.304 -0.657 1.00 0.00 H new ATOM 208 N VAL A 13 0.878 7.160 1.019 1.00 0.00 N ATOM 209 CA VAL A 13 -0.565 7.158 0.873 1.00 0.00 C ATOM 210 C VAL A 13 -1.016 7.041 -0.564 1.00 0.00 C ATOM 211 O VAL A 13 -0.571 7.819 -1.405 1.00 0.00 O ATOM 212 CB VAL A 13 -1.144 8.402 1.572 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.354 9.671 1.253 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.599 8.674 1.195 1.00 0.00 C ATOM 0 H VAL A 13 1.368 7.691 0.299 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.957 6.264 1.358 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.074 8.168 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.803 10.519 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.678 9.550 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.372 9.851 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.951 9.563 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.672 8.834 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.214 7.819 1.477 1.00 0.00 H new ATOM 224 N LEU A 14 -1.914 6.084 -0.817 1.00 0.00 N ATOM 225 CA LEU A 14 -2.501 5.837 -2.120 1.00 0.00 C ATOM 226 C LEU A 14 -3.163 7.115 -2.569 1.00 0.00 C ATOM 227 O LEU A 14 -4.033 7.649 -1.880 1.00 0.00 O ATOM 228 CB LEU A 14 -3.502 4.691 -2.046 1.00 0.00 C ATOM 229 CG LEU A 14 -3.864 4.102 -3.412 1.00 0.00 C ATOM 230 CD1 LEU A 14 -4.470 2.712 -3.187 1.00 0.00 C ATOM 231 CD2 LEU A 14 -4.840 4.914 -4.250 1.00 0.00 C ATOM 0 H LEU A 14 -2.256 5.448 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.736 5.543 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.091 3.901 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.411 5.045 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.933 4.088 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.736 2.271 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.742 2.075 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.363 2.800 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.023 4.401 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.780 5.024 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.418 5.899 -4.448 1.00 0.00 H new ATOM 243 N GLU A 15 -2.695 7.623 -3.699 1.00 0.00 N ATOM 244 CA GLU A 15 -3.113 8.908 -4.195 1.00 0.00 C ATOM 245 C GLU A 15 -4.042 8.703 -5.375 1.00 0.00 C ATOM 246 O GLU A 15 -5.130 9.277 -5.418 1.00 0.00 O ATOM 247 CB GLU A 15 -1.850 9.720 -4.501 1.00 0.00 C ATOM 248 CG GLU A 15 -2.076 11.231 -4.540 1.00 0.00 C ATOM 249 CD GLU A 15 -2.330 11.835 -5.922 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.032 11.227 -6.768 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.833 12.966 -6.129 1.00 0.00 O ATOM 0 H GLU A 15 -2.014 7.149 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.689 9.480 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.095 9.495 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.448 9.398 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.926 11.468 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.204 11.720 -4.106 1.00 0.00 H new ATOM 258 N SER A 16 -3.671 7.806 -6.288 1.00 0.00 N ATOM 259 CA SER A 16 -4.544 7.451 -7.381 1.00 0.00 C ATOM 260 C SER A 16 -4.429 5.969 -7.727 1.00 0.00 C ATOM 261 O SER A 16 -3.403 5.323 -7.500 1.00 0.00 O ATOM 262 CB SER A 16 -4.317 8.400 -8.571 1.00 0.00 C ATOM 263 OG SER A 16 -3.125 9.176 -8.513 1.00 0.00 O ATOM 0 H SER A 16 -2.774 7.320 -6.284 1.00 0.00 H new ATOM 0 HA SER A 16 -5.582 7.587 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.302 7.810 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.168 9.077 -8.642 1.00 0.00 H new ATOM 0 HG SER A 16 -3.280 9.974 -7.965 1.00 0.00 H new ATOM 269 N VAL A 17 -5.519 5.422 -8.262 1.00 0.00 N ATOM 270 CA VAL A 17 -5.604 4.074 -8.801 1.00 0.00 C ATOM 271 C VAL A 17 -4.922 4.101 -10.183 1.00 0.00 C ATOM 272 O VAL A 17 -4.521 5.166 -10.680 1.00 0.00 O ATOM 273 CB VAL A 17 -7.107 3.657 -8.838 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.357 2.165 -9.096 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.834 3.982 -7.513 1.00 0.00 C ATOM 0 H VAL A 17 -6.401 5.930 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.093 3.326 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.495 4.238 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.430 1.972 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.931 1.886 -10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.888 1.576 -8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.877 3.674 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.354 3.447 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.784 5.054 -7.324 1.00 0.00 H new ATOM 285 N ASN A 18 -4.803 2.943 -10.831 1.00 0.00 N ATOM 286 CA ASN A 18 -4.393 2.757 -12.217 1.00 0.00 C ATOM 287 C ASN A 18 -5.074 3.736 -13.183 1.00 0.00 C ATOM 288 O ASN A 18 -4.451 4.141 -14.164 1.00 0.00 O ATOM 289 CB ASN A 18 -4.662 1.294 -12.641 1.00 0.00 C ATOM 290 CG ASN A 18 -5.956 1.122 -13.418 1.00 0.00 C ATOM 291 OD1 ASN A 18 -7.027 1.039 -12.829 1.00 0.00 O ATOM 292 ND2 ASN A 18 -5.892 1.073 -14.732 1.00 0.00 N ATOM 0 H ASN A 18 -5.004 2.055 -10.370 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.326 2.971 -12.273 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.830 0.941 -13.251 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.694 0.665 -11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.745 0.964 -15.280 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.989 1.144 -15.202 1.00 0.00 H new ATOM 299 N GLY A 19 -6.333 4.096 -12.916 1.00 0.00 N ATOM 300 CA GLY A 19 -7.194 4.808 -13.845 1.00 0.00 C ATOM 301 C GLY A 19 -7.579 6.203 -13.364 1.00 0.00 C ATOM 302 O GLY A 19 -7.347 7.171 -14.093 1.00 0.00 O ATOM 0 H GLY A 19 -6.786 3.892 -12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.689 4.890 -14.807 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.100 4.225 -14.009 1.00 0.00 H new ATOM 306 N LYS A 20 -8.142 6.334 -12.156 1.00 0.00 N ATOM 307 CA LYS A 20 -8.514 7.628 -11.577 1.00 0.00 C ATOM 308 C LYS A 20 -8.064 7.746 -10.120 1.00 0.00 C ATOM 309 O LYS A 20 -7.855 6.722 -9.465 1.00 0.00 O ATOM 310 CB LYS A 20 -10.040 7.830 -11.691 1.00 0.00 C ATOM 311 CG LYS A 20 -10.444 8.314 -13.093 1.00 0.00 C ATOM 312 CD LYS A 20 -11.533 9.398 -13.048 1.00 0.00 C ATOM 313 CE LYS A 20 -11.592 10.222 -14.340 1.00 0.00 C ATOM 314 NZ LYS A 20 -10.378 11.046 -14.551 1.00 0.00 N ATOM 0 H LYS A 20 -8.353 5.540 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.003 8.411 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.549 6.892 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.368 8.555 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.566 8.706 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.803 7.467 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.502 8.929 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.345 10.063 -12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.722 9.550 -15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.466 10.872 -14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.577 11.783 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.101 11.493 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.603 10.441 -14.890 1.00 0.00 H new ATOM 328 N PRO A 21 -7.968 8.968 -9.566 1.00 0.00 N ATOM 329 CA PRO A 21 -7.918 9.159 -8.129 1.00 0.00 C ATOM 330 C PRO A 21 -9.252 8.764 -7.494 1.00 0.00 C ATOM 331 O PRO A 21 -10.297 8.698 -8.154 1.00 0.00 O ATOM 332 CB PRO A 21 -7.551 10.629 -7.908 1.00 0.00 C ATOM 333 CG PRO A 21 -8.073 11.323 -9.161 1.00 0.00 C ATOM 334 CD PRO A 21 -7.980 10.252 -10.251 1.00 0.00 C ATOM 0 HA PRO A 21 -7.174 8.523 -7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.016 11.027 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.475 10.761 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.099 11.667 -9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.473 12.198 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.826 10.319 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.077 10.382 -10.847 1.00 0.00 H new ATOM 342 N VAL A 22 -9.212 8.513 -6.192 1.00 0.00 N ATOM 343 CA VAL A 22 -10.363 8.106 -5.392 1.00 0.00 C ATOM 344 C VAL A 22 -10.313 8.820 -4.041 1.00 0.00 C ATOM 345 O VAL A 22 -9.274 9.378 -3.677 1.00 0.00 O ATOM 346 CB VAL A 22 -10.403 6.564 -5.295 1.00 0.00 C ATOM 347 CG1 VAL A 22 -9.209 5.968 -4.529 1.00 0.00 C ATOM 348 CG2 VAL A 22 -11.733 6.085 -4.696 1.00 0.00 C ATOM 0 H VAL A 22 -8.354 8.589 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.301 8.403 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.323 6.194 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.301 4.882 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.281 6.240 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.198 6.359 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.735 4.997 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.852 6.501 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.557 6.417 -5.328 1.00 0.00 H new ATOM 358 N THR A 23 -11.421 8.804 -3.302 1.00 0.00 N ATOM 359 CA THR A 23 -11.525 9.457 -2.003 1.00 0.00 C ATOM 360 C THR A 23 -12.096 8.511 -0.945 1.00 0.00 C ATOM 361 O THR A 23 -12.755 7.514 -1.258 1.00 0.00 O ATOM 362 CB THR A 23 -12.322 10.779 -2.107 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.787 11.072 -3.418 1.00 0.00 O ATOM 364 CG2 THR A 23 -11.484 11.965 -1.645 1.00 0.00 C ATOM 0 H THR A 23 -12.278 8.333 -3.593 1.00 0.00 H new ATOM 0 HA THR A 23 -10.519 9.718 -1.674 1.00 0.00 H new ATOM 0 HB THR A 23 -13.186 10.627 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.282 11.918 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.071 12.880 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.188 11.819 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.593 12.046 -2.268 1.00 0.00 H new ATOM 372 N SER A 24 -11.809 8.836 0.314 1.00 0.00 N ATOM 373 CA SER A 24 -12.194 8.099 1.505 1.00 0.00 C ATOM 374 C SER A 24 -12.319 9.129 2.638 1.00 0.00 C ATOM 375 O SER A 24 -11.716 8.987 3.698 1.00 0.00 O ATOM 376 CB SER A 24 -11.102 7.051 1.736 1.00 0.00 C ATOM 377 OG SER A 24 -11.361 6.170 2.806 1.00 0.00 O ATOM 0 H SER A 24 -11.269 9.672 0.538 1.00 0.00 H new ATOM 0 HA SER A 24 -13.147 7.575 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.975 6.468 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.157 7.562 1.922 1.00 0.00 H new ATOM 0 HG SER A 24 -10.692 6.304 3.509 1.00 0.00 H new ATOM 383 N ASP A 25 -13.021 10.236 2.368 1.00 0.00 N ATOM 384 CA ASP A 25 -13.208 11.382 3.268 1.00 0.00 C ATOM 385 C ASP A 25 -11.904 11.806 3.956 1.00 0.00 C ATOM 386 O ASP A 25 -11.836 11.879 5.183 1.00 0.00 O ATOM 387 CB ASP A 25 -14.285 11.153 4.341 1.00 0.00 C ATOM 388 CG ASP A 25 -15.641 10.654 3.844 1.00 0.00 C ATOM 389 OD1 ASP A 25 -16.160 11.159 2.821 1.00 0.00 O ATOM 390 OD2 ASP A 25 -16.242 9.767 4.492 1.00 0.00 O ATOM 0 H ASP A 25 -13.497 10.364 1.475 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.548 12.184 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.900 10.434 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.440 12.090 4.875 1.00 0.00 H new ATOM 395 N LYS A 26 -10.842 12.084 3.191 1.00 0.00 N ATOM 396 CA LYS A 26 -9.562 12.569 3.730 1.00 0.00 C ATOM 397 C LYS A 26 -8.809 11.493 4.524 1.00 0.00 C ATOM 398 O LYS A 26 -7.663 11.740 4.896 1.00 0.00 O ATOM 399 CB LYS A 26 -9.815 13.848 4.566 1.00 0.00 C ATOM 400 CG LYS A 26 -8.724 14.922 4.581 1.00 0.00 C ATOM 401 CD LYS A 26 -7.766 14.865 5.789 1.00 0.00 C ATOM 402 CE LYS A 26 -6.740 16.008 5.876 1.00 0.00 C ATOM 403 NZ LYS A 26 -5.683 15.925 4.846 1.00 0.00 N ATOM 0 H LYS A 26 -10.844 11.979 2.176 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.906 12.817 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.733 14.309 4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.998 13.543 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.137 14.834 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.200 15.902 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.361 14.864 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.227 13.918 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.259 16.961 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.277 15.997 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.025 16.722 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.164 15.030 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.115 15.964 3.901 1.00 0.00 H new ATOM 417 N ASN A 27 -9.358 10.291 4.703 1.00 0.00 N ATOM 418 CA ASN A 27 -8.720 9.150 5.352 1.00 0.00 C ATOM 419 C ASN A 27 -8.507 8.069 4.280 1.00 0.00 C ATOM 420 O ASN A 27 -9.238 7.079 4.263 1.00 0.00 O ATOM 421 CB ASN A 27 -9.585 8.664 6.530 1.00 0.00 C ATOM 422 CG ASN A 27 -9.797 9.729 7.601 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.872 10.439 7.999 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.014 9.885 8.091 1.00 0.00 N ATOM 0 H ASN A 27 -10.303 10.079 4.384 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.752 9.417 5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.555 8.341 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.113 7.792 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.191 10.595 8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.777 9.295 7.759 1.00 0.00 H new ATOM 431 N PRO A 28 -7.571 8.270 3.329 1.00 0.00 N ATOM 432 CA PRO A 28 -7.357 7.396 2.172 1.00 0.00 C ATOM 433 C PRO A 28 -6.806 6.013 2.546 1.00 0.00 C ATOM 434 O PRO A 28 -6.348 5.838 3.677 1.00 0.00 O ATOM 435 CB PRO A 28 -6.360 8.142 1.278 1.00 0.00 C ATOM 436 CG PRO A 28 -5.592 8.999 2.274 1.00 0.00 C ATOM 437 CD PRO A 28 -6.653 9.393 3.274 1.00 0.00 C ATOM 0 HA PRO A 28 -8.307 7.196 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.703 7.456 0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.865 8.749 0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.781 8.442 2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.145 9.870 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.216 9.591 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.165 10.304 2.964 1.00 0.00 H new ATOM 445 N PRO A 29 -6.765 5.073 1.574 1.00 0.00 N ATOM 446 CA PRO A 29 -5.997 3.827 1.637 1.00 0.00 C ATOM 447 C PRO A 29 -4.480 4.087 1.763 1.00 0.00 C ATOM 448 O PRO A 29 -3.696 3.879 0.837 1.00 0.00 O ATOM 449 CB PRO A 29 -6.395 3.033 0.375 1.00 0.00 C ATOM 450 CG PRO A 29 -7.086 4.014 -0.559 1.00 0.00 C ATOM 451 CD PRO A 29 -7.595 5.099 0.370 1.00 0.00 C ATOM 0 HA PRO A 29 -6.227 3.248 2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.516 2.598 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.060 2.208 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.395 4.414 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.901 3.540 -1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.539 6.074 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.642 4.928 0.622 1.00 0.00 H new ATOM 459 N GLU A 30 -4.032 4.596 2.904 1.00 0.00 N ATOM 460 CA GLU A 30 -2.636 4.855 3.213 1.00 0.00 C ATOM 461 C GLU A 30 -2.020 3.693 3.994 1.00 0.00 C ATOM 462 O GLU A 30 -2.710 2.771 4.440 1.00 0.00 O ATOM 463 CB GLU A 30 -2.502 6.212 3.915 1.00 0.00 C ATOM 464 CG GLU A 30 -3.098 6.257 5.315 1.00 0.00 C ATOM 465 CD GLU A 30 -3.259 7.695 5.805 1.00 0.00 C ATOM 466 OE1 GLU A 30 -2.236 8.366 6.093 1.00 0.00 O ATOM 467 OE2 GLU A 30 -4.406 8.155 5.988 1.00 0.00 O ATOM 0 H GLU A 30 -4.658 4.849 3.668 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.061 4.920 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.446 6.474 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.985 6.973 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.068 5.760 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.457 5.706 6.003 1.00 0.00 H new ATOM 474 N ILE A 31 -0.697 3.727 4.126 1.00 0.00 N ATOM 475 CA ILE A 31 0.106 2.624 4.620 1.00 0.00 C ATOM 476 C ILE A 31 1.304 3.201 5.369 1.00 0.00 C ATOM 477 O ILE A 31 1.623 4.388 5.256 1.00 0.00 O ATOM 478 CB ILE A 31 0.498 1.749 3.405 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.940 0.334 3.813 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.538 2.425 2.490 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.086 -0.565 2.587 1.00 0.00 C ATOM 0 H ILE A 31 -0.143 4.548 3.884 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.432 1.989 5.324 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.414 1.641 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.889 0.385 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.210 -0.096 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.773 1.764 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.132 3.361 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.445 2.629 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.399 -1.561 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.129 -0.632 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.834 -0.145 1.914 1.00 0.00 H new ATOM 493 N SER A 32 1.993 2.376 6.137 1.00 0.00 N ATOM 494 CA SER A 32 3.298 2.699 6.660 1.00 0.00 C ATOM 495 C SER A 32 4.111 1.414 6.721 1.00 0.00 C ATOM 496 O SER A 32 3.578 0.297 6.686 1.00 0.00 O ATOM 497 CB SER A 32 3.161 3.429 8.005 1.00 0.00 C ATOM 498 OG SER A 32 2.196 2.825 8.849 1.00 0.00 O ATOM 0 H SER A 32 1.654 1.455 6.415 1.00 0.00 H new ATOM 0 HA SER A 32 3.835 3.393 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.127 3.439 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.884 4.468 7.825 1.00 0.00 H new ATOM 0 HG SER A 32 2.144 3.320 9.693 1.00 0.00 H new ATOM 504 N PHE A 33 5.419 1.594 6.812 1.00 0.00 N ATOM 505 CA PHE A 33 6.376 0.529 6.979 1.00 0.00 C ATOM 506 C PHE A 33 7.232 0.898 8.180 1.00 0.00 C ATOM 507 O PHE A 33 7.206 2.037 8.655 1.00 0.00 O ATOM 508 CB PHE A 33 7.202 0.366 5.696 1.00 0.00 C ATOM 509 CG PHE A 33 6.372 0.091 4.458 1.00 0.00 C ATOM 510 CD1 PHE A 33 6.009 -1.228 4.134 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.931 1.152 3.642 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.264 -1.480 2.970 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.148 0.888 2.504 1.00 0.00 C ATOM 514 CZ PHE A 33 4.858 -0.431 2.137 1.00 0.00 C ATOM 0 H PHE A 33 5.850 2.517 6.770 1.00 0.00 H new ATOM 0 HA PHE A 33 5.895 -0.433 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.786 1.272 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.911 -0.450 5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.302 -2.044 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.195 2.169 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.001 -2.496 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.769 1.707 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.326 -0.637 1.220 1.00 0.00 H new ATOM 524 N GLY A 34 7.997 -0.073 8.650 1.00 0.00 N ATOM 525 CA GLY A 34 8.858 -0.004 9.811 1.00 0.00 C ATOM 526 C GLY A 34 9.226 -1.442 10.140 1.00 0.00 C ATOM 527 O GLY A 34 8.986 -2.324 9.315 1.00 0.00 O ATOM 0 H GLY A 34 8.033 -0.987 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.748 0.590 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.347 0.470 10.649 1.00 0.00 H new ATOM 531 N GLU A 35 9.800 -1.677 11.317 1.00 0.00 N ATOM 532 CA GLU A 35 9.876 -2.986 11.966 1.00 0.00 C ATOM 533 C GLU A 35 10.269 -4.090 10.999 1.00 0.00 C ATOM 534 O GLU A 35 9.468 -4.947 10.629 1.00 0.00 O ATOM 535 CB GLU A 35 8.577 -3.320 12.707 1.00 0.00 C ATOM 536 CG GLU A 35 8.541 -2.559 14.022 1.00 0.00 C ATOM 537 CD GLU A 35 7.331 -3.013 14.833 1.00 0.00 C ATOM 538 OE1 GLU A 35 6.201 -2.540 14.555 1.00 0.00 O ATOM 539 OE2 GLU A 35 7.487 -3.899 15.703 1.00 0.00 O ATOM 0 H GLU A 35 10.240 -0.938 11.865 1.00 0.00 H new ATOM 0 HA GLU A 35 10.673 -2.924 12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.716 -3.052 12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.515 -4.392 12.892 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.458 -2.737 14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.486 -1.487 13.834 1.00 0.00 H new ATOM 546 N LYS A 36 11.537 -4.076 10.612 1.00 0.00 N ATOM 547 CA LYS A 36 12.132 -5.120 9.776 1.00 0.00 C ATOM 548 C LYS A 36 11.432 -5.241 8.408 1.00 0.00 C ATOM 549 O LYS A 36 11.446 -6.326 7.823 1.00 0.00 O ATOM 550 CB LYS A 36 12.130 -6.466 10.538 1.00 0.00 C ATOM 551 CG LYS A 36 12.645 -6.414 11.988 1.00 0.00 C ATOM 552 CD LYS A 36 12.105 -7.588 12.806 1.00 0.00 C ATOM 553 CE LYS A 36 10.637 -7.320 13.158 1.00 0.00 C ATOM 554 NZ LYS A 36 10.057 -8.405 13.966 1.00 0.00 N ATOM 0 H LYS A 36 12.190 -3.336 10.869 1.00 0.00 H new ATOM 0 HA LYS A 36 13.164 -4.838 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.112 -6.855 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.739 -7.178 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.735 -6.435 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.343 -5.475 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.193 -8.514 12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.693 -7.715 13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.561 -6.380 13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.060 -7.203 12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.064 -8.184 14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.106 -9.298 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.591 -8.501 14.853 1.00 0.00 H new ATOM 568 N MET A 37 10.851 -4.147 7.896 1.00 0.00 N ATOM 569 CA MET A 37 10.060 -4.032 6.663 1.00 0.00 C ATOM 570 C MET A 37 8.644 -4.615 6.811 1.00 0.00 C ATOM 571 O MET A 37 7.956 -4.794 5.806 1.00 0.00 O ATOM 572 CB MET A 37 10.828 -4.559 5.420 1.00 0.00 C ATOM 573 CG MET A 37 11.298 -3.443 4.481 1.00 0.00 C ATOM 574 SD MET A 37 10.527 -3.377 2.846 1.00 0.00 S ATOM 575 CE MET A 37 8.926 -2.636 3.244 1.00 0.00 C ATOM 0 H MET A 37 10.928 -3.248 8.372 1.00 0.00 H new ATOM 0 HA MET A 37 9.910 -2.968 6.483 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.693 -5.133 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.184 -5.243 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.127 -2.487 4.976 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.375 -3.544 4.345 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.464 -2.256 2.333 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.278 -3.389 3.692 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.070 -1.816 3.947 1.00 0.00 H new ATOM 585 N MET A 38 8.147 -4.854 8.031 1.00 0.00 N ATOM 586 CA MET A 38 6.732 -5.146 8.233 1.00 0.00 C ATOM 587 C MET A 38 5.865 -4.031 7.658 1.00 0.00 C ATOM 588 O MET A 38 6.194 -2.841 7.726 1.00 0.00 O ATOM 589 CB MET A 38 6.369 -5.304 9.712 1.00 0.00 C ATOM 590 CG MET A 38 6.673 -6.706 10.247 1.00 0.00 C ATOM 591 SD MET A 38 5.588 -7.189 11.616 1.00 0.00 S ATOM 592 CE MET A 38 4.045 -7.557 10.733 1.00 0.00 C ATOM 0 H MET A 38 8.704 -4.850 8.885 1.00 0.00 H new ATOM 0 HA MET A 38 6.545 -6.089 7.720 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.920 -4.568 10.298 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.309 -5.090 9.847 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.571 -7.428 9.437 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.710 -6.745 10.581 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.316 -7.969 11.431 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.650 -6.641 10.294 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.242 -8.282 9.943 1.00 0.00 H new ATOM 602 N ILE A 39 4.697 -4.436 7.174 1.00 0.00 N ATOM 603 CA ILE A 39 3.721 -3.584 6.529 1.00 0.00 C ATOM 604 C ILE A 39 2.548 -3.439 7.488 1.00 0.00 C ATOM 605 O ILE A 39 2.060 -4.444 8.019 1.00 0.00 O ATOM 606 CB ILE A 39 3.241 -4.217 5.205 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.386 -4.818 4.365 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.455 -3.151 4.432 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.922 -5.329 3.000 1.00 0.00 C ATOM 0 H ILE A 39 4.397 -5.410 7.225 1.00 0.00 H new ATOM 0 HA ILE A 39 4.158 -2.614 6.295 1.00 0.00 H new ATOM 0 HB ILE A 39 2.598 -5.067 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.158 -4.063 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.843 -5.639 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.103 -3.571 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.601 -2.826 5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.102 -2.297 4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.773 -5.740 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.171 -6.106 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.491 -4.506 2.430 1.00 0.00 H new ATOM 621 N SER A 40 2.053 -2.214 7.643 1.00 0.00 N ATOM 622 CA SER A 40 0.836 -1.920 8.378 1.00 0.00 C ATOM 623 C SER A 40 0.031 -0.913 7.555 1.00 0.00 C ATOM 624 O SER A 40 0.614 0.033 7.027 1.00 0.00 O ATOM 625 CB SER A 40 1.223 -1.340 9.739 1.00 0.00 C ATOM 626 OG SER A 40 2.279 -2.057 10.366 1.00 0.00 O ATOM 0 H SER A 40 2.499 -1.384 7.252 1.00 0.00 H new ATOM 0 HA SER A 40 0.232 -2.812 8.543 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.522 -0.299 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.350 -1.344 10.392 1.00 0.00 H new ATOM 0 HG SER A 40 2.487 -1.644 11.230 1.00 0.00 H new ATOM 632 N GLY A 41 -1.280 -1.095 7.408 1.00 0.00 N ATOM 633 CA GLY A 41 -2.094 -0.190 6.610 1.00 0.00 C ATOM 634 C GLY A 41 -3.556 -0.595 6.645 1.00 0.00 C ATOM 635 O GLY A 41 -3.945 -1.549 7.330 1.00 0.00 O ATOM 0 H GLY A 41 -1.799 -1.863 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.986 0.828 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.738 -0.189 5.580 1.00 0.00 H new ATOM 639 N SER A 42 -4.362 0.118 5.869 1.00 0.00 N ATOM 640 CA SER A 42 -5.706 -0.286 5.529 1.00 0.00 C ATOM 641 C SER A 42 -5.979 0.133 4.091 1.00 0.00 C ATOM 642 O SER A 42 -5.217 0.885 3.481 1.00 0.00 O ATOM 643 CB SER A 42 -6.701 0.311 6.537 1.00 0.00 C ATOM 644 OG SER A 42 -7.985 -0.256 6.351 1.00 0.00 O ATOM 0 H SER A 42 -4.088 1.009 5.454 1.00 0.00 H new ATOM 0 HA SER A 42 -5.825 -1.368 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.356 0.123 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.752 1.393 6.412 1.00 0.00 H new ATOM 0 HG SER A 42 -8.610 0.130 6.999 1.00 0.00 H new ATOM 650 N MET A 43 -7.069 -0.388 3.547 1.00 0.00 N ATOM 651 CA MET A 43 -7.715 0.142 2.366 1.00 0.00 C ATOM 652 C MET A 43 -9.185 0.371 2.700 1.00 0.00 C ATOM 653 O MET A 43 -9.723 1.438 2.405 1.00 0.00 O ATOM 654 CB MET A 43 -7.576 -0.774 1.139 1.00 0.00 C ATOM 655 CG MET A 43 -6.241 -1.507 0.965 1.00 0.00 C ATOM 656 SD MET A 43 -4.763 -0.534 0.549 1.00 0.00 S ATOM 657 CE MET A 43 -5.070 -0.230 -1.201 1.00 0.00 C ATOM 0 H MET A 43 -7.536 -1.211 3.928 1.00 0.00 H new ATOM 0 HA MET A 43 -7.224 1.076 2.093 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.369 -1.520 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.752 -0.174 0.246 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.035 -2.043 1.891 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.374 -2.257 0.185 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.123 -0.056 -1.712 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.564 -1.097 -1.640 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.709 0.646 -1.311 1.00 0.00 H new ATOM 667 N CYS A 44 -9.808 -0.610 3.354 1.00 0.00 N ATOM 668 CA CYS A 44 -11.108 -0.522 3.990 1.00 0.00 C ATOM 669 C CYS A 44 -11.112 -1.477 5.201 1.00 0.00 C ATOM 670 O CYS A 44 -11.415 -1.074 6.321 1.00 0.00 O ATOM 671 CB CYS A 44 -12.176 -0.855 2.947 1.00 0.00 C ATOM 672 SG CYS A 44 -13.870 -0.861 3.547 1.00 0.00 S ATOM 0 H CYS A 44 -9.390 -1.535 3.455 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.326 0.478 4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.100 -0.135 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.955 -1.836 2.527 1.00 0.00 H new ATOM 677 N ASN A 45 -10.726 -2.743 5.006 1.00 0.00 N ATOM 678 CA ASN A 45 -10.780 -3.815 6.006 1.00 0.00 C ATOM 679 C ASN A 45 -9.547 -3.963 6.891 1.00 0.00 C ATOM 680 O ASN A 45 -9.473 -4.939 7.638 1.00 0.00 O ATOM 681 CB ASN A 45 -11.115 -5.165 5.340 1.00 0.00 C ATOM 682 CG ASN A 45 -12.600 -5.420 5.439 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.056 -5.732 6.524 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.389 -5.237 4.399 1.00 0.00 N ATOM 0 H ASN A 45 -10.353 -3.061 4.112 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.577 -3.508 6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.806 -5.154 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.564 -5.970 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.397 -5.357 4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.991 -4.976 3.497 1.00 0.00 H new ATOM 691 N ARG A 46 -8.602 -3.027 6.872 1.00 0.00 N ATOM 692 CA ARG A 46 -7.272 -3.131 7.500 1.00 0.00 C ATOM 693 C ARG A 46 -6.462 -4.285 6.916 1.00 0.00 C ATOM 694 O ARG A 46 -7.001 -5.142 6.221 1.00 0.00 O ATOM 695 CB ARG A 46 -7.384 -3.194 9.042 1.00 0.00 C ATOM 696 CG ARG A 46 -7.057 -1.871 9.748 1.00 0.00 C ATOM 697 CD ARG A 46 -5.691 -1.908 10.444 1.00 0.00 C ATOM 698 NE ARG A 46 -5.560 -0.849 11.454 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.876 -0.930 12.751 1.00 0.00 C ATOM 700 NH1 ARG A 46 -6.389 -2.042 13.270 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.663 0.114 13.539 1.00 0.00 N ATOM 0 H ARG A 46 -8.740 -2.133 6.400 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.717 -2.223 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.396 -3.496 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.712 -3.968 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.070 -1.060 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.832 -1.652 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.551 -2.880 10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.902 -1.799 9.700 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.188 0.044 11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.549 -2.856 12.676 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.623 -2.081 14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.261 0.969 13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.901 0.062 14.530 1.00 0.00 H new ATOM 715 N PHE A 47 -5.154 -4.299 7.164 1.00 0.00 N ATOM 716 CA PHE A 47 -4.268 -5.430 6.913 1.00 0.00 C ATOM 717 C PHE A 47 -2.973 -5.230 7.704 1.00 0.00 C ATOM 718 O PHE A 47 -2.690 -4.133 8.204 1.00 0.00 O ATOM 719 CB PHE A 47 -3.949 -5.542 5.417 1.00 0.00 C ATOM 720 CG PHE A 47 -3.294 -4.333 4.789 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.086 -3.327 4.205 1.00 0.00 C ATOM 722 CD2 PHE A 47 -1.892 -4.240 4.738 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.475 -2.252 3.540 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.291 -3.149 4.092 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.078 -2.167 3.473 1.00 0.00 C ATOM 0 H PHE A 47 -4.667 -3.495 7.559 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.761 -6.349 7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.297 -6.403 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.876 -5.748 4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.163 -3.382 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.281 -5.005 5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.084 -1.488 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.214 -3.065 4.071 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.609 -1.349 2.947 1.00 0.00 H new ATOM 735 N SER A 48 -2.146 -6.270 7.769 1.00 0.00 N ATOM 736 CA SER A 48 -0.744 -6.195 8.190 1.00 0.00 C ATOM 737 C SER A 48 0.011 -7.406 7.609 1.00 0.00 C ATOM 738 O SER A 48 -0.648 -8.396 7.276 1.00 0.00 O ATOM 739 CB SER A 48 -0.636 -6.200 9.727 1.00 0.00 C ATOM 740 OG SER A 48 -1.874 -6.245 10.429 1.00 0.00 O ATOM 0 H SER A 48 -2.438 -7.216 7.524 1.00 0.00 H new ATOM 0 HA SER A 48 -0.306 -5.267 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.036 -7.059 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.094 -5.307 10.039 1.00 0.00 H new ATOM 0 HG SER A 48 -1.703 -6.246 11.394 1.00 0.00 H new ATOM 746 N GLY A 49 1.351 -7.404 7.536 1.00 0.00 N ATOM 747 CA GLY A 49 2.100 -8.608 7.170 1.00 0.00 C ATOM 748 C GLY A 49 3.617 -8.396 7.167 1.00 0.00 C ATOM 749 O GLY A 49 4.102 -7.262 7.225 1.00 0.00 O ATOM 0 H GLY A 49 1.931 -6.587 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.853 -9.408 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.784 -8.938 6.181 1.00 0.00 H new ATOM 753 N GLU A 50 4.374 -9.495 7.089 1.00 0.00 N ATOM 754 CA GLU A 50 5.821 -9.504 6.874 1.00 0.00 C ATOM 755 C GLU A 50 6.148 -9.029 5.453 1.00 0.00 C ATOM 756 O GLU A 50 6.117 -9.822 4.507 1.00 0.00 O ATOM 757 CB GLU A 50 6.389 -10.919 7.073 1.00 0.00 C ATOM 758 CG GLU A 50 6.610 -11.305 8.539 1.00 0.00 C ATOM 759 CD GLU A 50 7.134 -12.743 8.662 1.00 0.00 C ATOM 760 OE1 GLU A 50 8.002 -13.153 7.851 1.00 0.00 O ATOM 761 OE2 GLU A 50 6.647 -13.462 9.563 1.00 0.00 O ATOM 0 H GLU A 50 3.982 -10.432 7.177 1.00 0.00 H new ATOM 0 HA GLU A 50 6.275 -8.829 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.709 -11.639 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.337 -10.996 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.320 -10.616 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.674 -11.208 9.088 1.00 0.00 H new ATOM 768 N GLY A 51 6.451 -7.740 5.291 1.00 0.00 N ATOM 769 CA GLY A 51 7.155 -7.247 4.110 1.00 0.00 C ATOM 770 C GLY A 51 8.645 -7.578 4.204 1.00 0.00 C ATOM 771 O GLY A 51 9.156 -7.912 5.278 1.00 0.00 O ATOM 0 H GLY A 51 6.217 -7.015 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.732 -7.696 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.020 -6.169 4.021 1.00 0.00 H new ATOM 775 N LYS A 52 9.348 -7.468 3.078 1.00 0.00 N ATOM 776 CA LYS A 52 10.791 -7.624 2.929 1.00 0.00 C ATOM 777 C LYS A 52 11.124 -7.131 1.533 1.00 0.00 C ATOM 778 O LYS A 52 10.413 -7.507 0.602 1.00 0.00 O ATOM 779 CB LYS A 52 11.160 -9.108 3.047 1.00 0.00 C ATOM 780 CG LYS A 52 12.582 -9.421 2.556 1.00 0.00 C ATOM 781 CD LYS A 52 12.867 -10.883 2.866 1.00 0.00 C ATOM 782 CE LYS A 52 14.162 -11.359 2.226 1.00 0.00 C ATOM 783 NZ LYS A 52 14.677 -12.573 2.880 1.00 0.00 N ATOM 0 H LYS A 52 8.894 -7.254 2.190 1.00 0.00 H new ATOM 0 HA LYS A 52 11.337 -7.071 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.066 -9.417 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.446 -9.700 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.667 -9.233 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.308 -8.776 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.924 -11.020 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.040 -11.497 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.993 -11.559 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.910 -10.568 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.560 -12.868 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.861 -12.375 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.973 -13.335 2.801 1.00 0.00 H new ATOM 797 N LEU A 53 12.200 -6.364 1.377 1.00 0.00 N ATOM 798 CA LEU A 53 12.577 -5.794 0.089 1.00 0.00 C ATOM 799 C LEU A 53 14.043 -6.058 -0.197 1.00 0.00 C ATOM 800 O LEU A 53 14.934 -5.773 0.608 1.00 0.00 O ATOM 801 CB LEU A 53 12.234 -4.299 0.019 1.00 0.00 C ATOM 802 CG LEU A 53 12.774 -3.564 -1.226 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.488 -4.245 -2.573 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.207 -2.149 -1.254 1.00 0.00 C ATOM 0 H LEU A 53 12.833 -6.121 2.139 1.00 0.00 H new ATOM 0 HA LEU A 53 11.995 -6.285 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.150 -4.189 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.626 -3.809 0.910 1.00 0.00 H new ATOM 0 HG LEU A 53 13.859 -3.574 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.910 -3.646 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.940 -5.237 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.411 -4.336 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.584 -1.623 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.119 -2.194 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.512 -1.617 -0.353 1.00 0.00 H new ATOM 816 N SER A 54 14.277 -6.594 -1.387 1.00 0.00 N ATOM 817 CA SER A 54 15.582 -6.844 -1.950 1.00 0.00 C ATOM 818 C SER A 54 15.548 -6.619 -3.469 1.00 0.00 C ATOM 819 O SER A 54 16.501 -6.063 -4.006 1.00 0.00 O ATOM 820 CB SER A 54 15.942 -8.270 -1.530 1.00 0.00 C ATOM 821 OG SER A 54 17.270 -8.648 -1.827 1.00 0.00 O ATOM 0 H SER A 54 13.521 -6.877 -2.010 1.00 0.00 H new ATOM 0 HA SER A 54 16.352 -6.162 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.780 -8.372 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.261 -8.964 -2.023 1.00 0.00 H new ATOM 0 HG SER A 54 17.423 -9.569 -1.528 1.00 0.00 H new ATOM 827 N ASN A 55 14.456 -6.982 -4.158 1.00 0.00 N ATOM 828 CA ASN A 55 14.412 -7.124 -5.616 1.00 0.00 C ATOM 829 C ASN A 55 13.363 -6.225 -6.292 1.00 0.00 C ATOM 830 O ASN A 55 12.896 -6.525 -7.392 1.00 0.00 O ATOM 831 CB ASN A 55 14.168 -8.604 -5.946 1.00 0.00 C ATOM 832 CG ASN A 55 14.445 -8.915 -7.411 1.00 0.00 C ATOM 833 OD1 ASN A 55 15.356 -8.367 -8.014 1.00 0.00 O ATOM 834 ND2 ASN A 55 13.695 -9.814 -8.017 1.00 0.00 N ATOM 0 H ASN A 55 13.565 -7.188 -3.707 1.00 0.00 H new ATOM 0 HA ASN A 55 15.369 -6.791 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.805 -9.226 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.136 -8.863 -5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.874 -10.054 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.936 -10.269 -7.511 1.00 0.00 H new ATOM 841 N GLY A 56 12.953 -5.126 -5.657 1.00 0.00 N ATOM 842 CA GLY A 56 11.901 -4.240 -6.163 1.00 0.00 C ATOM 843 C GLY A 56 10.486 -4.781 -5.938 1.00 0.00 C ATOM 844 O GLY A 56 9.518 -4.171 -6.381 1.00 0.00 O ATOM 0 H GLY A 56 13.346 -4.822 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.991 -3.268 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.055 -4.079 -7.230 1.00 0.00 H new ATOM 848 N GLU A 57 10.336 -5.905 -5.235 1.00 0.00 N ATOM 849 CA GLU A 57 9.060 -6.591 -5.053 1.00 0.00 C ATOM 850 C GLU A 57 8.792 -6.732 -3.555 1.00 0.00 C ATOM 851 O GLU A 57 9.741 -6.819 -2.767 1.00 0.00 O ATOM 852 CB GLU A 57 9.143 -7.944 -5.773 1.00 0.00 C ATOM 853 CG GLU A 57 7.814 -8.716 -5.796 1.00 0.00 C ATOM 854 CD GLU A 57 7.927 -9.977 -6.656 1.00 0.00 C ATOM 855 OE1 GLU A 57 8.694 -10.898 -6.294 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.284 -10.053 -7.727 1.00 0.00 O ATOM 0 H GLU A 57 11.114 -6.371 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 57 8.227 -6.033 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.475 -7.780 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.901 -8.558 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.530 -8.989 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.024 -8.075 -6.186 1.00 0.00 H new ATOM 863 N LEU A 58 7.526 -6.716 -3.147 1.00 0.00 N ATOM 864 CA LEU A 58 7.082 -6.870 -1.766 1.00 0.00 C ATOM 865 C LEU A 58 5.941 -7.886 -1.679 1.00 0.00 C ATOM 866 O LEU A 58 5.019 -7.880 -2.488 1.00 0.00 O ATOM 867 CB LEU A 58 6.610 -5.500 -1.262 1.00 0.00 C ATOM 868 CG LEU A 58 6.698 -5.290 0.253 1.00 0.00 C ATOM 869 CD1 LEU A 58 8.141 -5.097 0.718 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.947 -4.028 0.674 1.00 0.00 C ATOM 0 H LEU A 58 6.750 -6.590 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 58 7.903 -7.237 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.202 -4.728 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.575 -5.355 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 58 6.265 -6.184 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.159 -4.951 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.727 -5.979 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.568 -4.222 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.025 -3.902 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.382 -3.162 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.898 -4.119 0.394 1.00 0.00 H new ATOM 882 N THR A 59 5.966 -8.739 -0.662 1.00 0.00 N ATOM 883 CA THR A 59 5.015 -9.826 -0.435 1.00 0.00 C ATOM 884 C THR A 59 4.394 -9.736 0.967 1.00 0.00 C ATOM 885 O THR A 59 4.903 -9.026 1.843 1.00 0.00 O ATOM 886 CB THR A 59 5.731 -11.183 -0.622 1.00 0.00 C ATOM 887 OG1 THR A 59 7.069 -11.139 -0.133 1.00 0.00 O ATOM 888 CG2 THR A 59 5.751 -11.647 -2.076 1.00 0.00 C ATOM 0 H THR A 59 6.683 -8.691 0.062 1.00 0.00 H new ATOM 0 HA THR A 59 4.206 -9.740 -1.161 1.00 0.00 H new ATOM 0 HB THR A 59 5.151 -11.901 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.494 -12.012 -0.264 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.267 -12.605 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.728 -11.758 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.272 -10.909 -2.686 1.00 0.00 H new ATOM 896 N ALA A 60 3.324 -10.501 1.209 1.00 0.00 N ATOM 897 CA ALA A 60 2.738 -10.745 2.519 1.00 0.00 C ATOM 898 C ALA A 60 2.309 -12.204 2.684 1.00 0.00 C ATOM 899 O ALA A 60 1.293 -12.629 2.133 1.00 0.00 O ATOM 900 CB ALA A 60 1.542 -9.827 2.732 1.00 0.00 C ATOM 0 H ALA A 60 2.826 -10.985 0.462 1.00 0.00 H new ATOM 0 HA ALA A 60 3.501 -10.534 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.109 -10.016 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.866 -8.788 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.794 -10.019 1.963 1.00 0.00 H new ATOM 906 N LYS A 61 3.058 -12.960 3.491 1.00 0.00 N ATOM 907 CA LYS A 61 2.776 -14.361 3.793 1.00 0.00 C ATOM 908 C LYS A 61 1.555 -14.491 4.725 1.00 0.00 C ATOM 909 O LYS A 61 1.721 -14.748 5.919 1.00 0.00 O ATOM 910 CB LYS A 61 4.048 -15.016 4.366 1.00 0.00 C ATOM 911 CG LYS A 61 3.955 -16.554 4.409 1.00 0.00 C ATOM 912 CD LYS A 61 4.640 -17.128 5.659 1.00 0.00 C ATOM 913 CE LYS A 61 4.445 -18.648 5.716 1.00 0.00 C ATOM 914 NZ LYS A 61 4.749 -19.199 7.054 1.00 0.00 N ATOM 0 H LYS A 61 3.892 -12.607 3.960 1.00 0.00 H new ATOM 0 HA LYS A 61 2.508 -14.894 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.906 -14.724 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.225 -14.638 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.908 -16.856 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.418 -16.972 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.704 -16.890 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.225 -16.666 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.416 -18.891 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.087 -19.123 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.604 -20.229 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.738 -18.991 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.119 -18.766 7.759 1.00 0.00 H new ATOM 928 N GLY A 62 0.336 -14.345 4.205 1.00 0.00 N ATOM 929 CA GLY A 62 -0.928 -14.582 4.909 1.00 0.00 C ATOM 930 C GLY A 62 -1.827 -13.353 4.866 1.00 0.00 C ATOM 931 O GLY A 62 -2.856 -13.365 4.188 1.00 0.00 O ATOM 0 H GLY A 62 0.195 -14.046 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.445 -15.429 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.724 -14.849 5.946 1.00 0.00 H new ATOM 935 N LEU A 63 -1.376 -12.275 5.511 1.00 0.00 N ATOM 936 CA LEU A 63 -1.943 -10.939 5.548 1.00 0.00 C ATOM 937 C LEU A 63 -3.312 -10.854 6.238 1.00 0.00 C ATOM 938 O LEU A 63 -4.354 -11.213 5.686 1.00 0.00 O ATOM 939 CB LEU A 63 -1.878 -10.352 4.141 1.00 0.00 C ATOM 940 CG LEU A 63 -2.259 -8.870 4.069 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.316 -8.125 3.123 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.693 -8.687 3.566 1.00 0.00 C ATOM 0 H LEU A 63 -0.525 -12.328 6.071 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.341 -10.308 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.867 -10.477 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.542 -10.920 3.490 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.179 -8.466 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.599 -7.073 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.292 -8.212 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.384 -8.559 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.932 -7.624 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.786 -9.117 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.383 -9.189 4.244 1.00 0.00 H new ATOM 954 N ALA A 64 -3.279 -10.348 7.474 1.00 0.00 N ATOM 955 CA ALA A 64 -4.369 -10.338 8.442 1.00 0.00 C ATOM 956 C ALA A 64 -5.325 -9.156 8.242 1.00 0.00 C ATOM 957 O ALA A 64 -5.052 -8.054 8.726 1.00 0.00 O ATOM 958 CB ALA A 64 -3.754 -10.285 9.845 1.00 0.00 C ATOM 0 H ALA A 64 -2.436 -9.908 7.844 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.963 -11.241 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.549 -10.276 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.122 -11.160 9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.153 -9.381 9.945 1.00 0.00 H new ATOM 964 N MET A 65 -6.448 -9.363 7.557 1.00 0.00 N ATOM 965 CA MET A 65 -7.498 -8.359 7.352 1.00 0.00 C ATOM 966 C MET A 65 -8.652 -8.548 8.358 1.00 0.00 C ATOM 967 O MET A 65 -8.626 -9.468 9.183 1.00 0.00 O ATOM 968 CB MET A 65 -8.037 -8.492 5.921 1.00 0.00 C ATOM 969 CG MET A 65 -7.134 -7.951 4.821 1.00 0.00 C ATOM 970 SD MET A 65 -8.076 -7.142 3.500 1.00 0.00 S ATOM 971 CE MET A 65 -6.789 -6.038 2.882 1.00 0.00 C ATOM 0 H MET A 65 -6.661 -10.258 7.116 1.00 0.00 H new ATOM 0 HA MET A 65 -7.072 -7.368 7.508 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.229 -9.546 5.722 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.996 -7.977 5.864 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.428 -7.240 5.250 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.548 -8.768 4.400 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.983 -5.803 1.835 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.788 -5.118 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.818 -6.525 2.971 1.00 0.00 H new ATOM 981 N THR A 66 -9.686 -7.703 8.282 1.00 0.00 N ATOM 982 CA THR A 66 -10.878 -7.712 9.150 1.00 0.00 C ATOM 983 C THR A 66 -12.178 -7.967 8.342 1.00 0.00 C ATOM 984 O THR A 66 -12.091 -8.533 7.247 1.00 0.00 O ATOM 985 CB THR A 66 -10.895 -6.492 10.095 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.306 -5.322 9.442 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.550 -6.196 10.768 1.00 0.00 C ATOM 0 H THR A 66 -9.720 -6.960 7.584 1.00 0.00 H new ATOM 0 HA THR A 66 -10.823 -8.568 9.823 1.00 0.00 H new ATOM 0 HB THR A 66 -11.612 -6.778 10.865 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.738 -5.168 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.651 -5.324 11.414 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.244 -7.056 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.797 -5.997 10.005 1.00 0.00 H new ATOM 995 N ARG A 67 -13.373 -7.688 8.903 1.00 0.00 N ATOM 996 CA ARG A 67 -14.690 -7.733 8.228 1.00 0.00 C ATOM 997 C ARG A 67 -15.530 -6.463 8.535 1.00 0.00 C ATOM 998 O ARG A 67 -16.682 -6.554 8.981 1.00 0.00 O ATOM 999 CB ARG A 67 -15.442 -9.034 8.597 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.888 -10.342 8.002 1.00 0.00 C ATOM 1001 CD ARG A 67 -15.042 -10.410 6.477 1.00 0.00 C ATOM 1002 NE ARG A 67 -14.953 -11.789 5.952 1.00 0.00 N ATOM 1003 CZ ARG A 67 -15.194 -12.136 4.678 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -15.551 -11.220 3.791 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -15.076 -13.399 4.281 1.00 0.00 N ATOM 0 H ARG A 67 -13.451 -7.413 9.882 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.524 -7.742 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.447 -9.129 9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.480 -8.929 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.833 -10.436 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.404 -11.189 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.003 -9.980 6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.269 -9.798 6.011 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.690 -12.529 6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.644 -10.245 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.733 -11.490 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.799 -14.119 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.262 -13.648 3.310 1.00 0.00 H new ATOM 1019 N MET A 68 -14.946 -5.273 8.385 1.00 0.00 N ATOM 1020 CA MET A 68 -15.580 -3.945 8.374 1.00 0.00 C ATOM 1021 C MET A 68 -16.120 -3.612 6.966 1.00 0.00 C ATOM 1022 O MET A 68 -16.090 -4.466 6.082 1.00 0.00 O ATOM 1023 CB MET A 68 -14.543 -2.887 8.790 1.00 0.00 C ATOM 1024 CG MET A 68 -13.946 -3.168 10.172 1.00 0.00 C ATOM 1025 SD MET A 68 -12.818 -1.906 10.834 1.00 0.00 S ATOM 1026 CE MET A 68 -11.541 -1.853 9.549 1.00 0.00 C ATOM 0 H MET A 68 -13.936 -5.203 8.258 1.00 0.00 H new ATOM 0 HA MET A 68 -16.415 -3.946 9.075 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.743 -2.856 8.051 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.012 -1.903 8.793 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.766 -3.299 10.879 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.410 -4.116 10.127 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.565 -1.705 10.012 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.542 -2.792 8.996 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.747 -1.029 8.865 1.00 0.00 H new ATOM 1036 N MET A 69 -16.643 -2.396 6.738 1.00 0.00 N ATOM 1037 CA MET A 69 -17.029 -1.849 5.434 1.00 0.00 C ATOM 1038 C MET A 69 -16.902 -0.322 5.407 1.00 0.00 C ATOM 1039 O MET A 69 -16.652 0.291 6.450 1.00 0.00 O ATOM 1040 CB MET A 69 -18.446 -2.295 5.068 1.00 0.00 C ATOM 1041 CG MET A 69 -19.593 -1.538 5.754 1.00 0.00 C ATOM 1042 SD MET A 69 -19.715 -1.677 7.564 1.00 0.00 S ATOM 1043 CE MET A 69 -19.740 -3.481 7.717 1.00 0.00 C ATOM 0 H MET A 69 -16.815 -1.738 7.498 1.00 0.00 H new ATOM 0 HA MET A 69 -16.342 -2.242 4.684 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.568 -2.198 3.989 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.544 -3.354 5.306 1.00 0.00 H new ATOM 0 HG2 MET A 69 -19.499 -0.482 5.502 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.532 -1.886 5.324 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.360 -3.765 8.567 1.00 0.00 H new ATOM 0 HE2 MET A 69 -20.150 -3.918 6.806 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.725 -3.847 7.870 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.102 0.301 4.236 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.807 1.712 4.007 1.00 0.00 C ATOM 1055 C CYS A 70 -17.860 2.382 3.124 1.00 0.00 C ATOM 1056 O CYS A 70 -18.396 1.792 2.182 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.409 1.887 3.413 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.031 1.247 4.435 1.00 0.00 S ATOM 0 H CYS A 70 -17.478 -0.173 3.415 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.835 2.208 4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.380 1.389 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.241 2.949 3.232 1.00 0.00 H new ATOM 1063 N ALA A 71 -18.062 3.672 3.401 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.925 4.623 2.708 1.00 0.00 C ATOM 1065 C ALA A 71 -18.364 5.023 1.327 1.00 0.00 C ATOM 1066 O ALA A 71 -18.595 6.138 0.851 1.00 0.00 O ATOM 1067 CB ALA A 71 -19.112 5.830 3.638 1.00 0.00 C ATOM 0 H ALA A 71 -17.582 4.114 4.185 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.891 4.166 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.754 6.566 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.573 5.503 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.142 6.279 3.851 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.574 4.157 0.692 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.359 4.116 -0.750 1.00 0.00 C ATOM 1075 C ASN A 72 -17.154 2.624 -1.049 1.00 0.00 C ATOM 1076 O ASN A 72 -16.418 1.978 -0.298 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.068 4.922 -1.038 1.00 0.00 C ATOM 1078 CG ASN A 72 -15.786 5.271 -2.491 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -16.470 4.841 -3.411 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -14.788 6.103 -2.735 1.00 0.00 N ATOM 0 H ASN A 72 -17.047 3.439 1.189 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.168 4.534 -1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.113 5.850 -0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.220 4.354 -0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.585 6.389 -3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.221 6.459 -1.965 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.663 2.072 -2.159 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.544 0.640 -2.446 1.00 0.00 C ATOM 1089 C PRO A 73 -16.209 0.304 -3.103 1.00 0.00 C ATOM 1090 O PRO A 73 -15.697 -0.796 -2.927 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.717 0.308 -3.375 1.00 0.00 C ATOM 1092 CG PRO A 73 -19.010 1.645 -4.053 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.725 2.654 -2.958 1.00 0.00 C ATOM 0 HA PRO A 73 -17.575 0.051 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.452 -0.462 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.580 -0.060 -2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.373 1.804 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.042 1.705 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.420 3.612 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.614 2.839 -2.354 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.599 1.255 -3.812 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.320 1.032 -4.473 1.00 0.00 C ATOM 1103 C GLN A 74 -13.217 0.731 -3.444 1.00 0.00 C ATOM 1104 O GLN A 74 -12.259 0.035 -3.762 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.014 2.261 -5.341 1.00 0.00 C ATOM 1106 CG GLN A 74 -13.081 1.958 -6.526 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.941 3.195 -7.414 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.786 3.471 -8.269 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.919 4.002 -7.191 1.00 0.00 N ATOM 0 H GLN A 74 -15.977 2.193 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.365 0.155 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.950 2.670 -5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.559 3.032 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.102 1.652 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.478 1.126 -7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.226 3.764 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.823 4.864 -7.728 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.358 1.208 -2.201 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.455 0.872 -1.091 1.00 0.00 C ATOM 1120 C LEU A 75 -12.609 -0.584 -0.658 1.00 0.00 C ATOM 1121 O LEU A 75 -11.640 -1.183 -0.213 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.706 1.771 0.135 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.486 3.268 -0.127 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.049 4.066 1.051 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.003 3.591 -0.338 1.00 0.00 C ATOM 0 H LEU A 75 -14.109 1.844 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.444 1.035 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.729 1.620 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.048 1.455 0.944 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.007 3.545 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.898 5.131 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.115 3.863 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.536 3.773 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.886 4.659 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.439 3.311 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.628 3.033 -1.196 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.814 -1.142 -0.769 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.129 -2.506 -0.349 1.00 0.00 C ATOM 1139 C ASN A 76 -13.673 -3.528 -1.394 1.00 0.00 C ATOM 1140 O ASN A 76 -13.506 -4.705 -1.090 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.645 -2.601 -0.153 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.042 -3.615 0.894 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.376 -4.754 0.602 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -16.118 -3.190 2.138 1.00 0.00 N ATOM 0 H ASN A 76 -14.615 -0.648 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.604 -2.731 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.031 -1.622 0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.113 -2.864 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.458 -3.813 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.836 -2.237 2.370 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.481 -3.090 -2.639 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.844 -3.877 -3.691 1.00 0.00 C ATOM 1153 C GLU A 77 -11.319 -3.863 -3.511 1.00 0.00 C ATOM 1154 O GLU A 77 -10.670 -4.889 -3.724 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.275 -3.330 -5.064 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.290 -4.246 -5.768 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.667 -5.562 -6.237 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -12.951 -5.542 -7.264 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -13.860 -6.596 -5.558 1.00 0.00 O ATOM 0 H GLU A 77 -13.770 -2.162 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.163 -4.917 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.711 -2.339 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.396 -3.212 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.114 -4.460 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.713 -3.722 -6.625 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.738 -2.752 -3.023 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.298 -2.697 -2.752 1.00 0.00 C ATOM 1168 C LEU A 78 -8.860 -3.790 -1.779 1.00 0.00 C ATOM 1169 O LEU A 78 -7.686 -4.161 -1.781 1.00 0.00 O ATOM 1170 CB LEU A 78 -8.828 -1.353 -2.162 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.169 -0.327 -3.090 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -7.095 -0.922 -3.999 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -9.185 0.481 -3.880 1.00 0.00 C ATOM 0 H LEU A 78 -11.241 -1.890 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.840 -2.837 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.693 -0.874 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.123 -1.573 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.651 0.363 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.674 -0.137 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.306 -1.362 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.538 -1.692 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.665 1.193 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.785 -0.190 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.835 1.021 -3.192 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.768 -4.284 -0.940 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.451 -5.275 0.075 1.00 0.00 C ATOM 1187 C ASP A 79 -9.003 -6.592 -0.536 1.00 0.00 C ATOM 1188 O ASP A 79 -8.240 -7.322 0.102 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.648 -5.527 0.992 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.907 -4.358 1.932 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -9.932 -3.749 2.442 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -12.090 -4.128 2.251 1.00 0.00 O ATOM 0 H ASP A 79 -10.749 -4.004 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.627 -4.867 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.536 -5.708 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.472 -6.430 1.577 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.435 -6.934 -1.754 1.00 0.00 N ATOM 1198 CA ASN A 80 -8.982 -8.106 -2.451 1.00 0.00 C ATOM 1199 C ASN A 80 -7.952 -7.766 -3.515 1.00 0.00 C ATOM 1200 O ASN A 80 -7.047 -8.576 -3.682 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.163 -8.859 -3.020 1.00 0.00 C ATOM 1202 CG ASN A 80 -10.910 -8.151 -4.124 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.541 -8.259 -5.290 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.986 -7.485 -3.777 1.00 0.00 N ATOM 0 H ASN A 80 -10.119 -6.386 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.478 -8.758 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.812 -9.819 -3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.861 -9.072 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.556 -7.029 -4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.253 -7.423 -2.794 1.00 0.00 H new ATOM 1211 N THR A 81 -8.005 -6.571 -4.116 1.00 0.00 N ATOM 1212 CA THR A 81 -6.888 -5.980 -4.851 1.00 0.00 C ATOM 1213 C THR A 81 -5.604 -6.158 -4.028 1.00 0.00 C ATOM 1214 O THR A 81 -4.781 -7.013 -4.345 1.00 0.00 O ATOM 1215 CB THR A 81 -7.170 -4.508 -5.179 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.423 -4.338 -5.797 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.100 -3.912 -6.087 1.00 0.00 C ATOM 0 H THR A 81 -8.838 -5.982 -4.103 1.00 0.00 H new ATOM 0 HA THR A 81 -6.759 -6.489 -5.806 1.00 0.00 H new ATOM 0 HB THR A 81 -7.165 -3.986 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.132 -4.418 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.338 -2.869 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.130 -3.971 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.066 -4.469 -7.023 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.419 -5.391 -2.951 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.121 -5.326 -2.297 1.00 0.00 C ATOM 1227 C ILE A 82 -3.751 -6.663 -1.655 1.00 0.00 C ATOM 1228 O ILE A 82 -2.579 -7.037 -1.622 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.075 -4.151 -1.299 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.616 -3.720 -1.084 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.739 -4.469 0.058 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.046 -2.876 -2.233 1.00 0.00 C ATOM 0 H ILE A 82 -6.144 -4.816 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.361 -5.133 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.654 -3.339 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.548 -3.150 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.999 -4.609 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.670 -3.598 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.788 -4.721 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.229 -5.312 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.013 -2.609 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.081 -3.450 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.639 -1.968 -2.347 1.00 0.00 H new ATOM 1244 N SER A 83 -4.743 -7.389 -1.136 1.00 0.00 N ATOM 1245 CA SER A 83 -4.493 -8.643 -0.463 1.00 0.00 C ATOM 1246 C SER A 83 -3.868 -9.648 -1.417 1.00 0.00 C ATOM 1247 O SER A 83 -2.932 -10.350 -1.032 1.00 0.00 O ATOM 1248 CB SER A 83 -5.809 -9.212 0.050 1.00 0.00 C ATOM 1249 OG SER A 83 -6.154 -8.606 1.268 1.00 0.00 O ATOM 0 H SER A 83 -5.726 -7.120 -1.175 1.00 0.00 H new ATOM 0 HA SER A 83 -3.808 -8.460 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.597 -9.045 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.721 -10.290 0.183 1.00 0.00 H new ATOM 0 HG SER A 83 -6.976 -8.085 1.153 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.407 -9.751 -2.629 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.933 -10.697 -3.614 1.00 0.00 C ATOM 1257 C GLU A 84 -2.649 -10.183 -4.263 1.00 0.00 C ATOM 1258 O GLU A 84 -1.749 -10.992 -4.484 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.066 -10.955 -4.599 1.00 0.00 C ATOM 1260 CG GLU A 84 -4.683 -11.965 -5.686 1.00 0.00 C ATOM 1261 CD GLU A 84 -5.912 -12.377 -6.491 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.863 -12.945 -5.904 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -5.957 -12.137 -7.715 1.00 0.00 O ATOM 0 H GLU A 84 -5.186 -9.176 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.664 -11.651 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.937 -11.323 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.356 -10.015 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.936 -11.528 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.229 -12.844 -5.230 1.00 0.00 H new ATOM 1270 N MET A 85 -2.503 -8.862 -4.455 1.00 0.00 N ATOM 1271 CA MET A 85 -1.274 -8.257 -4.962 1.00 0.00 C ATOM 1272 C MET A 85 -0.112 -8.694 -4.077 1.00 0.00 C ATOM 1273 O MET A 85 0.919 -9.164 -4.545 1.00 0.00 O ATOM 1274 CB MET A 85 -1.381 -6.721 -4.951 1.00 0.00 C ATOM 1275 CG MET A 85 -2.288 -6.160 -6.045 1.00 0.00 C ATOM 1276 SD MET A 85 -2.540 -4.367 -6.001 1.00 0.00 S ATOM 1277 CE MET A 85 -1.020 -3.834 -6.821 1.00 0.00 C ATOM 0 H MET A 85 -3.241 -8.186 -4.260 1.00 0.00 H new ATOM 0 HA MET A 85 -1.111 -8.583 -5.989 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.756 -6.399 -3.980 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.384 -6.295 -5.065 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.867 -6.427 -7.014 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.260 -6.648 -5.974 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.073 -2.765 -7.027 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.167 -4.037 -6.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.902 -4.378 -7.758 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.296 -8.571 -2.765 1.00 0.00 N ATOM 1288 CA LEU A 86 0.735 -8.875 -1.792 1.00 0.00 C ATOM 1289 C LEU A 86 0.897 -10.380 -1.598 1.00 0.00 C ATOM 1290 O LEU A 86 1.977 -10.809 -1.197 1.00 0.00 O ATOM 1291 CB LEU A 86 0.365 -8.213 -0.461 1.00 0.00 C ATOM 1292 CG LEU A 86 0.567 -6.685 -0.351 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.837 -6.383 0.452 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.676 -5.886 -1.651 1.00 0.00 C ATOM 0 H LEU A 86 -1.173 -8.255 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 86 1.686 -8.488 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.683 -8.431 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.950 -8.688 0.327 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.358 -6.361 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.973 -5.304 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.744 -6.806 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.698 -6.824 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.815 -4.830 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.527 -6.246 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.237 -6.012 -2.233 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.137 -11.199 -1.830 1.00 0.00 N ATOM 1307 CA LYS A 87 0.013 -12.640 -1.687 1.00 0.00 C ATOM 1308 C LYS A 87 0.887 -13.165 -2.831 1.00 0.00 C ATOM 1309 O LYS A 87 1.696 -14.069 -2.605 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.359 -13.336 -1.667 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.747 -13.786 -0.250 1.00 0.00 C ATOM 1312 CD LYS A 87 -3.182 -14.333 -0.204 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.607 -14.682 1.233 1.00 0.00 C ATOM 1314 NZ LYS A 87 -5.024 -15.109 1.314 1.00 0.00 N ATOM 0 H LYS A 87 -1.067 -10.890 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 87 0.498 -12.863 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.118 -12.656 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.338 -14.200 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.053 -14.554 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.655 -12.945 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.868 -13.594 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.254 -15.221 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.968 -15.478 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.454 -13.815 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.263 -15.333 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.638 -14.341 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.167 -15.953 0.723 1.00 0.00 H new ATOM 1328 N GLU A 88 0.716 -12.608 -4.035 1.00 0.00 N ATOM 1329 CA GLU A 88 1.542 -12.868 -5.208 1.00 0.00 C ATOM 1330 C GLU A 88 2.957 -12.332 -4.966 1.00 0.00 C ATOM 1331 O GLU A 88 3.904 -13.116 -4.924 1.00 0.00 O ATOM 1332 CB GLU A 88 0.925 -12.204 -6.456 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.361 -12.872 -6.962 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.101 -14.181 -7.713 1.00 0.00 C ATOM 1335 OE1 GLU A 88 0.462 -14.132 -8.830 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -0.532 -15.246 -7.212 1.00 0.00 O ATOM 0 H GLU A 88 -0.031 -11.939 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 88 1.590 -13.943 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.712 -11.160 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.663 -12.211 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.018 -13.070 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.888 -12.181 -7.620 1.00 0.00 H new ATOM 1343 N GLY A 89 3.096 -11.014 -4.802 1.00 0.00 N ATOM 1344 CA GLY A 89 4.347 -10.286 -4.936 1.00 0.00 C ATOM 1345 C GLY A 89 4.062 -9.033 -5.742 1.00 0.00 C ATOM 1346 O GLY A 89 3.932 -9.101 -6.963 1.00 0.00 O ATOM 0 H GLY A 89 2.310 -10.409 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.747 -10.028 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.096 -10.900 -5.435 1.00 0.00 H new ATOM 1350 N ALA A 90 3.898 -7.900 -5.059 1.00 0.00 N ATOM 1351 CA ALA A 90 3.606 -6.635 -5.715 1.00 0.00 C ATOM 1352 C ALA A 90 4.915 -5.930 -6.036 1.00 0.00 C ATOM 1353 O ALA A 90 5.830 -5.921 -5.215 1.00 0.00 O ATOM 1354 CB ALA A 90 2.735 -5.761 -4.816 1.00 0.00 C ATOM 0 H ALA A 90 3.964 -7.838 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 90 3.059 -6.820 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.524 -4.818 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.798 -6.277 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.260 -5.564 -3.881 1.00 0.00 H new ATOM 1360 N GLN A 91 4.998 -5.309 -7.206 1.00 0.00 N ATOM 1361 CA GLN A 91 6.128 -4.510 -7.610 1.00 0.00 C ATOM 1362 C GLN A 91 5.971 -3.169 -6.903 1.00 0.00 C ATOM 1363 O GLN A 91 4.865 -2.622 -6.856 1.00 0.00 O ATOM 1364 CB GLN A 91 6.136 -4.371 -9.138 1.00 0.00 C ATOM 1365 CG GLN A 91 5.921 -5.678 -9.929 1.00 0.00 C ATOM 1366 CD GLN A 91 6.624 -6.892 -9.323 1.00 0.00 C ATOM 1367 OE1 GLN A 91 7.845 -6.930 -9.212 1.00 0.00 O ATOM 1368 NE2 GLN A 91 5.885 -7.913 -8.919 1.00 0.00 N ATOM 0 H GLN A 91 4.261 -5.353 -7.910 1.00 0.00 H new ATOM 0 HA GLN A 91 7.082 -4.961 -7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.359 -3.663 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.089 -3.938 -9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.852 -5.882 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.277 -5.536 -10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.870 -7.877 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.330 -8.736 -8.513 1.00 0.00 H new ATOM 1377 N VAL A 92 7.061 -2.674 -6.335 1.00 0.00 N ATOM 1378 CA VAL A 92 7.143 -1.572 -5.396 1.00 0.00 C ATOM 1379 C VAL A 92 8.219 -0.641 -5.930 1.00 0.00 C ATOM 1380 O VAL A 92 9.405 -0.885 -5.731 1.00 0.00 O ATOM 1381 CB VAL A 92 7.415 -2.159 -3.990 1.00 0.00 C ATOM 1382 CG1 VAL A 92 7.921 -1.155 -2.935 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.119 -2.731 -3.414 1.00 0.00 C ATOM 0 H VAL A 92 7.981 -3.065 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 92 6.227 -0.989 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 92 8.198 -2.898 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.079 -1.671 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.861 -0.717 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.181 -0.366 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.312 -3.144 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.374 -1.939 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.746 -3.518 -4.069 1.00 0.00 H new ATOM 1393 N ASP A 93 7.804 0.415 -6.630 1.00 0.00 N ATOM 1394 CA ASP A 93 8.728 1.345 -7.281 1.00 0.00 C ATOM 1395 C ASP A 93 8.593 2.730 -6.678 1.00 0.00 C ATOM 1396 O ASP A 93 7.711 3.509 -7.054 1.00 0.00 O ATOM 1397 CB ASP A 93 8.606 1.368 -8.817 1.00 0.00 C ATOM 1398 CG ASP A 93 9.944 0.941 -9.413 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.948 1.643 -9.138 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.002 -0.106 -10.094 1.00 0.00 O ATOM 0 H ASP A 93 6.820 0.650 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 93 9.735 0.976 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.813 0.696 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.339 2.367 -9.161 1.00 0.00 H new ATOM 1405 N LEU A 94 9.441 3.027 -5.693 1.00 0.00 N ATOM 1406 CA LEU A 94 9.519 4.345 -5.081 1.00 0.00 C ATOM 1407 C LEU A 94 10.595 5.149 -5.801 1.00 0.00 C ATOM 1408 O LEU A 94 11.787 4.856 -5.684 1.00 0.00 O ATOM 1409 CB LEU A 94 9.675 4.237 -3.560 1.00 0.00 C ATOM 1410 CG LEU A 94 9.663 5.555 -2.752 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.056 6.135 -2.502 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.736 6.625 -3.327 1.00 0.00 C ATOM 0 H LEU A 94 10.096 2.352 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 94 8.588 4.899 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.873 3.602 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.613 3.722 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 94 9.254 5.257 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.968 7.059 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.654 5.416 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.540 6.344 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.783 7.519 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.050 6.872 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.713 6.249 -3.345 1.00 0.00 H new ATOM 1424 N THR A 95 10.148 6.108 -6.604 1.00 0.00 N ATOM 1425 CA THR A 95 10.963 7.126 -7.258 1.00 0.00 C ATOM 1426 C THR A 95 11.156 8.307 -6.284 1.00 0.00 C ATOM 1427 O THR A 95 10.919 8.181 -5.085 1.00 0.00 O ATOM 1428 CB THR A 95 10.334 7.481 -8.625 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.256 8.165 -9.443 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.083 8.358 -8.556 1.00 0.00 C ATOM 0 H THR A 95 9.157 6.201 -6.828 1.00 0.00 H new ATOM 0 HA THR A 95 11.967 6.771 -7.491 1.00 0.00 H new ATOM 0 HB THR A 95 10.050 6.511 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.836 8.377 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.718 8.551 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.311 7.846 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.328 9.303 -8.072 1.00 0.00 H new ATOM 1438 N ALA A 96 11.601 9.466 -6.772 1.00 0.00 N ATOM 1439 CA ALA A 96 11.969 10.617 -5.950 1.00 0.00 C ATOM 1440 C ALA A 96 10.877 11.123 -4.981 1.00 0.00 C ATOM 1441 O ALA A 96 11.219 11.800 -4.010 1.00 0.00 O ATOM 1442 CB ALA A 96 12.413 11.743 -6.886 1.00 0.00 C ATOM 0 H ALA A 96 11.718 9.633 -7.771 1.00 0.00 H new ATOM 0 HA ALA A 96 12.772 10.285 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.694 12.616 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.269 11.411 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.593 12.005 -7.555 1.00 0.00 H new ATOM 1448 N ASN A 97 9.582 10.855 -5.219 1.00 0.00 N ATOM 1449 CA ASN A 97 8.484 11.234 -4.306 1.00 0.00 C ATOM 1450 C ASN A 97 7.250 10.317 -4.398 1.00 0.00 C ATOM 1451 O ASN A 97 6.253 10.572 -3.723 1.00 0.00 O ATOM 1452 CB ASN A 97 8.041 12.720 -4.445 1.00 0.00 C ATOM 1453 CG ASN A 97 8.582 13.504 -5.626 1.00 0.00 C ATOM 1454 OD1 ASN A 97 7.953 13.618 -6.678 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.767 14.060 -5.479 1.00 0.00 N ATOM 0 H ASN A 97 9.263 10.366 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 97 8.925 11.102 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 97 6.952 12.743 -4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.329 13.244 -3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.178 14.595 -6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.274 13.955 -4.600 1.00 0.00 H new ATOM 1462 N GLN A 98 7.263 9.258 -5.212 1.00 0.00 N ATOM 1463 CA GLN A 98 6.042 8.560 -5.615 1.00 0.00 C ATOM 1464 C GLN A 98 6.297 7.051 -5.631 1.00 0.00 C ATOM 1465 O GLN A 98 7.344 6.621 -6.108 1.00 0.00 O ATOM 1466 CB GLN A 98 5.652 9.102 -6.996 1.00 0.00 C ATOM 1467 CG GLN A 98 4.254 8.680 -7.443 1.00 0.00 C ATOM 1468 CD GLN A 98 4.132 8.775 -8.959 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.543 9.700 -9.523 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.716 7.826 -9.667 1.00 0.00 N ATOM 0 H GLN A 98 8.116 8.863 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 98 5.222 8.731 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.706 10.191 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.379 8.758 -7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.054 7.659 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.506 9.317 -6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.202 7.063 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.681 7.855 -10.686 1.00 0.00 H new ATOM 1479 N LEU A 99 5.365 6.255 -5.105 1.00 0.00 N ATOM 1480 CA LEU A 99 5.469 4.812 -4.878 1.00 0.00 C ATOM 1481 C LEU A 99 4.467 4.105 -5.791 1.00 0.00 C ATOM 1482 O LEU A 99 3.268 4.308 -5.600 1.00 0.00 O ATOM 1483 CB LEU A 99 5.158 4.524 -3.391 1.00 0.00 C ATOM 1484 CG LEU A 99 4.900 3.039 -3.054 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.065 2.127 -3.446 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.619 2.865 -1.555 1.00 0.00 C ATOM 0 H LEU A 99 4.461 6.623 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 99 6.471 4.448 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.992 4.879 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.283 5.105 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 99 4.030 2.744 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.824 1.097 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.237 2.198 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.964 2.436 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.440 1.812 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.478 3.213 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.739 3.447 -1.280 1.00 0.00 H new ATOM 1498 N THR A 100 4.898 3.292 -6.761 1.00 0.00 N ATOM 1499 CA THR A 100 3.933 2.566 -7.592 1.00 0.00 C ATOM 1500 C THR A 100 3.694 1.238 -6.848 1.00 0.00 C ATOM 1501 O THR A 100 4.623 0.717 -6.222 1.00 0.00 O ATOM 1502 CB THR A 100 4.463 2.326 -9.033 1.00 0.00 C ATOM 1503 OG1 THR A 100 3.344 2.283 -9.909 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.101 0.950 -9.268 1.00 0.00 C ATOM 0 H THR A 100 5.878 3.123 -6.986 1.00 0.00 H new ATOM 0 HA THR A 100 3.012 3.134 -7.726 1.00 0.00 H new ATOM 0 HB THR A 100 5.194 3.118 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.653 2.134 -10.827 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.440 0.878 -10.301 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.951 0.824 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.366 0.170 -9.072 1.00 0.00 H new ATOM 1512 N LEU A 101 2.497 0.664 -6.974 1.00 0.00 N ATOM 1513 CA LEU A 101 2.145 -0.714 -6.666 1.00 0.00 C ATOM 1514 C LEU A 101 1.621 -1.327 -7.956 1.00 0.00 C ATOM 1515 O LEU A 101 0.581 -0.869 -8.433 1.00 0.00 O ATOM 1516 CB LEU A 101 1.015 -0.719 -5.628 1.00 0.00 C ATOM 1517 CG LEU A 101 1.428 -0.796 -4.161 1.00 0.00 C ATOM 1518 CD1 LEU A 101 1.668 -2.242 -3.723 1.00 0.00 C ATOM 1519 CD2 LEU A 101 2.642 0.053 -3.811 1.00 0.00 C ATOM 0 H LEU A 101 1.694 1.191 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 101 3.000 -1.265 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.422 0.185 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.361 -1.565 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 101 0.584 -0.380 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.961 -2.260 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.753 -2.819 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.462 -2.679 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.870 -0.058 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.497 -0.274 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.429 1.100 -4.029 1.00 0.00 H new ATOM 1531 N ALA A 102 2.272 -2.352 -8.505 1.00 0.00 N ATOM 1532 CA ALA A 102 1.776 -3.075 -9.677 1.00 0.00 C ATOM 1533 C ALA A 102 1.783 -4.576 -9.394 1.00 0.00 C ATOM 1534 O ALA A 102 2.684 -5.076 -8.726 1.00 0.00 O ATOM 1535 CB ALA A 102 2.634 -2.729 -10.899 1.00 0.00 C ATOM 0 H ALA A 102 3.160 -2.706 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 102 0.750 -2.776 -9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.262 -3.269 -11.770 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.583 -1.657 -11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.669 -3.015 -10.710 1.00 0.00 H new ATOM 1541 N THR A 103 0.772 -5.313 -9.841 1.00 0.00 N ATOM 1542 CA THR A 103 0.682 -6.758 -9.823 1.00 0.00 C ATOM 1543 C THR A 103 -0.372 -7.187 -10.844 1.00 0.00 C ATOM 1544 O THR A 103 -1.100 -6.336 -11.375 1.00 0.00 O ATOM 1545 CB THR A 103 0.241 -7.233 -8.430 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.630 -6.348 -7.400 1.00 0.00 O ATOM 1547 CG2 THR A 103 0.925 -8.538 -8.118 1.00 0.00 C ATOM 0 H THR A 103 -0.057 -4.883 -10.251 1.00 0.00 H new ATOM 0 HA THR A 103 1.653 -7.191 -10.063 1.00 0.00 H new ATOM 0 HB THR A 103 -0.846 -7.307 -8.462 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.942 -6.863 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.618 -8.883 -7.131 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.647 -9.282 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.005 -8.395 -8.132 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.536 -8.498 -11.042 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.584 -9.071 -11.870 1.00 0.00 C ATOM 1557 C ALA A 104 -2.966 -8.479 -11.575 1.00 0.00 C ATOM 1558 O ALA A 104 -3.719 -8.289 -12.529 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.612 -10.595 -11.725 1.00 0.00 C ATOM 0 H ALA A 104 0.072 -9.199 -10.619 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.344 -8.813 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.403 -11.006 -12.352 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.652 -11.008 -12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.801 -10.858 -10.684 1.00 0.00 H new ATOM 1565 N LYS A 105 -3.303 -8.154 -10.315 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.599 -7.561 -9.988 1.00 0.00 C ATOM 1567 C LYS A 105 -4.849 -6.286 -10.784 1.00 0.00 C ATOM 1568 O LYS A 105 -5.766 -6.238 -11.601 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.785 -7.301 -8.481 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.210 -8.507 -7.627 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.707 -8.854 -7.668 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.135 -9.466 -9.008 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.963 -10.668 -8.831 1.00 0.00 N ATOM 0 H LYS A 105 -2.692 -8.294 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.343 -8.304 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.847 -6.914 -8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.531 -6.516 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.644 -9.379 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.928 -8.314 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.936 -9.553 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.290 -7.952 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.691 -8.725 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.248 -9.720 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.214 -11.057 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.431 -11.380 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.831 -10.419 -8.314 1.00 0.00 H new ATOM 1587 N GLN A 106 -4.093 -5.237 -10.479 1.00 0.00 N ATOM 1588 CA GLN A 106 -4.203 -3.888 -11.009 1.00 0.00 C ATOM 1589 C GLN A 106 -3.053 -3.089 -10.404 1.00 0.00 C ATOM 1590 O GLN A 106 -2.087 -3.651 -9.883 1.00 0.00 O ATOM 1591 CB GLN A 106 -5.591 -3.239 -10.809 1.00 0.00 C ATOM 1592 CG GLN A 106 -6.102 -3.383 -9.397 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.349 -2.535 -9.143 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -8.448 -2.807 -9.621 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.187 -1.471 -8.381 1.00 0.00 N ATOM 0 H GLN A 106 -3.332 -5.316 -9.805 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.119 -3.907 -12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.533 -2.181 -11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.303 -3.694 -11.497 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.331 -4.430 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.318 -3.092 -8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.269 -1.258 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.980 -0.861 -8.181 1.00 0.00 H new ATOM 1604 N THR A 107 -3.142 -1.772 -10.507 1.00 0.00 N ATOM 1605 CA THR A 107 -2.036 -0.864 -10.319 1.00 0.00 C ATOM 1606 C THR A 107 -2.529 0.294 -9.453 1.00 0.00 C ATOM 1607 O THR A 107 -3.667 0.724 -9.634 1.00 0.00 O ATOM 1608 CB THR A 107 -1.582 -0.392 -11.713 1.00 0.00 C ATOM 1609 OG1 THR A 107 -1.832 -1.348 -12.744 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.106 -0.082 -11.693 1.00 0.00 C ATOM 0 H THR A 107 -4.016 -1.297 -10.731 1.00 0.00 H new ATOM 0 HA THR A 107 -1.187 -1.329 -9.818 1.00 0.00 H new ATOM 0 HB THR A 107 -2.170 0.498 -11.940 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.524 -0.991 -13.603 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.209 0.251 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.091 0.705 -10.965 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.450 -0.978 -11.418 1.00 0.00 H new ATOM 1618 N LEU A 108 -1.741 0.774 -8.494 1.00 0.00 N ATOM 1619 CA LEU A 108 -2.017 1.945 -7.673 1.00 0.00 C ATOM 1620 C LEU A 108 -0.742 2.791 -7.639 1.00 0.00 C ATOM 1621 O LEU A 108 0.346 2.277 -7.895 1.00 0.00 O ATOM 1622 CB LEU A 108 -2.385 1.549 -6.229 1.00 0.00 C ATOM 1623 CG LEU A 108 -3.519 0.543 -5.954 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -4.861 0.971 -6.558 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.214 -0.920 -6.284 1.00 0.00 C ATOM 0 H LEU A 108 -0.851 0.335 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.859 2.491 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.483 1.150 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.636 2.468 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.601 0.576 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.618 0.221 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.161 1.930 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.759 1.067 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.083 -1.535 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.979 -1.012 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.362 -1.256 -5.693 1.00 0.00 H new ATOM 1637 N THR A 109 -0.840 4.059 -7.252 1.00 0.00 N ATOM 1638 CA THR A 109 0.306 4.937 -7.070 1.00 0.00 C ATOM 1639 C THR A 109 0.070 5.782 -5.815 1.00 0.00 C ATOM 1640 O THR A 109 -0.909 6.534 -5.732 1.00 0.00 O ATOM 1641 CB THR A 109 0.535 5.754 -8.350 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.845 4.891 -9.430 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.707 6.714 -8.222 1.00 0.00 C ATOM 0 H THR A 109 -1.733 4.510 -7.053 1.00 0.00 H new ATOM 0 HA THR A 109 1.228 4.378 -6.908 1.00 0.00 H new ATOM 0 HB THR A 109 -0.386 6.312 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.988 5.421 -10.242 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.827 7.268 -9.153 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.518 7.412 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.617 6.151 -8.015 1.00 0.00 H new ATOM 1651 N TYR A 110 0.935 5.598 -4.816 1.00 0.00 N ATOM 1652 CA TYR A 110 0.954 6.306 -3.549 1.00 0.00 C ATOM 1653 C TYR A 110 1.929 7.488 -3.651 1.00 0.00 C ATOM 1654 O TYR A 110 2.867 7.477 -4.449 1.00 0.00 O ATOM 1655 CB TYR A 110 1.361 5.381 -2.370 1.00 0.00 C ATOM 1656 CG TYR A 110 0.475 4.200 -1.981 1.00 0.00 C ATOM 1657 CD1 TYR A 110 -0.058 3.313 -2.942 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.233 3.946 -0.616 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -0.891 2.252 -2.552 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.610 2.898 -0.218 1.00 0.00 C ATOM 1661 CZ TYR A 110 -1.180 2.048 -1.185 1.00 0.00 C ATOM 1662 OH TYR A 110 -2.002 1.036 -0.800 1.00 0.00 O ATOM 0 H TYR A 110 1.683 4.908 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 110 -0.055 6.664 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.350 4.982 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.467 6.011 -1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.177 3.452 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.703 4.566 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.310 1.592 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.822 2.743 0.830 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.091 1.040 0.176 1.00 0.00 H new ATOM 1672 N LYS A 111 1.733 8.490 -2.800 1.00 0.00 N ATOM 1673 CA LYS A 111 2.562 9.676 -2.644 1.00 0.00 C ATOM 1674 C LYS A 111 3.438 9.510 -1.407 1.00 0.00 C ATOM 1675 O LYS A 111 2.956 8.945 -0.418 1.00 0.00 O ATOM 1676 CB LYS A 111 1.610 10.857 -2.395 1.00 0.00 C ATOM 1677 CG LYS A 111 2.266 12.231 -2.577 1.00 0.00 C ATOM 1678 CD LYS A 111 2.392 12.620 -4.056 1.00 0.00 C ATOM 1679 CE LYS A 111 1.118 13.359 -4.495 1.00 0.00 C ATOM 1680 NZ LYS A 111 0.909 13.347 -5.955 1.00 0.00 N ATOM 0 H LYS A 111 0.939 8.494 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 111 3.186 9.834 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.762 10.777 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.214 10.785 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.678 12.985 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.255 12.223 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.265 13.256 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.539 11.730 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.256 12.903 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.169 14.392 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.103 13.222 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.235 14.248 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.447 12.563 -6.376 1.00 0.00 H new ATOM 1694 N LEU A 112 4.624 10.123 -1.396 1.00 0.00 N ATOM 1695 CA LEU A 112 5.391 10.448 -0.189 1.00 0.00 C ATOM 1696 C LEU A 112 4.701 11.621 0.532 1.00 0.00 C ATOM 1697 O LEU A 112 5.247 12.716 0.688 1.00 0.00 O ATOM 1698 CB LEU A 112 6.852 10.757 -0.579 1.00 0.00 C ATOM 1699 CG LEU A 112 7.822 11.026 0.595 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.081 9.807 1.486 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.148 11.523 0.007 1.00 0.00 C ATOM 0 H LEU A 112 5.092 10.416 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 112 5.419 9.606 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.238 9.919 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.856 11.627 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 112 7.354 11.769 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.771 10.080 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.141 9.467 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.516 9.006 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.853 11.721 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.560 10.762 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.975 12.440 -0.557 1.00 0.00 H new ATOM 1713 N ALA A 113 3.445 11.425 0.916 1.00 0.00 N ATOM 1714 CA ALA A 113 2.720 12.254 1.863 1.00 0.00 C ATOM 1715 C ALA A 113 2.838 11.555 3.215 1.00 0.00 C ATOM 1716 O ALA A 113 1.988 10.757 3.615 1.00 0.00 O ATOM 1717 CB ALA A 113 1.288 12.490 1.372 1.00 0.00 C ATOM 0 H ALA A 113 2.884 10.652 0.560 1.00 0.00 H new ATOM 0 HA ALA A 113 3.131 13.258 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.755 13.113 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.313 12.992 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.776 11.533 1.271 1.00 0.00 H new ATOM 1723 N ASP A 114 3.960 11.825 3.881 1.00 0.00 N ATOM 1724 CA ASP A 114 4.342 11.238 5.158 1.00 0.00 C ATOM 1725 C ASP A 114 4.146 12.217 6.317 1.00 0.00 C ATOM 1726 O ASP A 114 4.720 12.035 7.389 1.00 0.00 O ATOM 1727 CB ASP A 114 5.782 10.705 5.100 1.00 0.00 C ATOM 1728 CG ASP A 114 6.818 11.806 5.260 1.00 0.00 C ATOM 1729 OD1 ASP A 114 6.766 12.781 4.483 1.00 0.00 O ATOM 1730 OD2 ASP A 114 7.723 11.673 6.117 1.00 0.00 O ATOM 0 H ASP A 114 4.653 12.485 3.529 1.00 0.00 H new ATOM 0 HA ASP A 114 3.679 10.394 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.923 9.962 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.940 10.198 4.148 1.00 0.00 H new ATOM 1735 N LEU A 115 3.303 13.232 6.112 1.00 0.00 N ATOM 1736 CA LEU A 115 2.905 14.263 7.073 1.00 0.00 C ATOM 1737 C LEU A 115 4.040 15.255 7.392 1.00 0.00 C ATOM 1738 O LEU A 115 3.917 16.059 8.323 1.00 0.00 O ATOM 1739 CB LEU A 115 2.248 13.651 8.332 1.00 0.00 C ATOM 1740 CG LEU A 115 1.187 12.555 8.075 1.00 0.00 C ATOM 1741 CD1 LEU A 115 0.634 12.028 9.401 1.00 0.00 C ATOM 1742 CD2 LEU A 115 0.027 13.034 7.190 1.00 0.00 C ATOM 0 H LEU A 115 2.849 13.364 5.208 1.00 0.00 H new ATOM 0 HA LEU A 115 2.135 14.865 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.033 13.229 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.782 14.455 8.902 1.00 0.00 H new ATOM 0 HG LEU A 115 1.696 11.756 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.111 11.258 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.446 11.604 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.172 12.846 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.683 12.219 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.476 13.873 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.415 13.351 6.222 1.00 0.00 H new ATOM 1754 N MET A 116 5.107 15.252 6.588 1.00 0.00 N ATOM 1755 CA MET A 116 6.254 16.156 6.651 1.00 0.00 C ATOM 1756 C MET A 116 5.897 17.640 6.530 1.00 0.00 C ATOM 1757 O MET A 116 4.760 18.015 6.234 1.00 0.00 O ATOM 1758 CB MET A 116 7.260 15.763 5.558 1.00 0.00 C ATOM 1759 CG MET A 116 6.744 15.882 4.111 1.00 0.00 C ATOM 1760 SD MET A 116 6.754 17.536 3.355 1.00 0.00 S ATOM 1761 CE MET A 116 8.541 17.798 3.174 1.00 0.00 C ATOM 0 H MET A 116 5.196 14.576 5.830 1.00 0.00 H new ATOM 0 HA MET A 116 6.687 16.043 7.645 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.147 16.388 5.662 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.574 14.734 5.730 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.343 15.221 3.484 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.721 15.506 4.086 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.719 18.714 2.611 1.00 0.00 H new ATOM 0 HE2 MET A 116 8.998 17.883 4.160 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.980 16.954 2.642 1.00 0.00 H new ATOM 1771 N ASN A 117 6.914 18.484 6.721 1.00 0.00 N ATOM 1772 CA ASN A 117 6.889 19.908 6.424 1.00 0.00 C ATOM 1773 C ASN A 117 7.745 20.157 5.191 1.00 0.00 C ATOM 1774 O ASN A 117 7.597 21.156 4.482 1.00 0.00 O ATOM 1775 CB ASN A 117 7.437 20.681 7.622 1.00 0.00 C ATOM 1776 CG ASN A 117 7.507 22.169 7.336 1.00 0.00 C ATOM 1777 OD1 ASN A 117 6.501 22.861 7.418 1.00 0.00 O ATOM 1778 ND2 ASN A 117 8.670 22.700 6.994 1.00 0.00 N ATOM 0 H ASN A 117 7.809 18.177 7.102 1.00 0.00 H new ATOM 0 HA ASN A 117 5.870 20.244 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.803 20.506 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 117 8.431 20.310 7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.736 23.698 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 117 9.500 22.111 6.930 1.00 0.00 H new TER 1785 ASN A 117