USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 83 ASN :FLIP amide:sc= -0.0861 F(o=-1.3!,f=-0.093) USER MOD Set 1.2: A 97 MET CE :methyl -122:sc= -0.0068 (180deg=-0.923) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= -0.714 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -166:sc= 0.33 (180deg=0.183) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.0705 (180deg=-0.103) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.022) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 MET CE :methyl -161:sc= -0.124 (180deg=-0.843) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.02 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 26 MET CE :methyl 135:sc= -0.554 (180deg=-1.02) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 36:sc= 0.293 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc=-0.00741 (180deg=-0.187) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -70:sc= 0.957 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.484! X(o=-0.48!,f=-0.8) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00569) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 80 LYS NZ :NH3+ -107:sc= 0.736 (180deg=0.458) USER MOD Single : A 92 LYS NZ :NH3+ -173:sc=-0.000891 (180deg=-0.0866) USER MOD Single : A 95 HIS : no HD1:sc= 0.552 K(o=0.55,f=-7.6!) USER MOD Single : A 100 SER OG : rot -113:sc= 1.94 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.654 -19.166 15.601 1.00 14.11 N ATOM 2 CA MET A 1 5.705 -19.221 16.748 1.00 53.34 C ATOM 3 C MET A 1 5.828 -17.988 17.664 1.00 31.54 C ATOM 4 O MET A 1 5.244 -17.952 18.748 1.00 74.11 O ATOM 5 CB MET A 1 5.925 -20.508 17.564 1.00 50.03 C ATOM 6 CG MET A 1 7.331 -20.659 18.129 1.00 20.50 C ATOM 7 SD MET A 1 7.512 -22.141 19.144 1.00 12.41 S ATOM 8 CE MET A 1 9.251 -22.058 19.571 1.00 1.12 C ATOM 0 H1 MET A 1 6.584 -20.045 15.050 1.00 14.11 H new ATOM 0 H2 MET A 1 6.417 -18.357 14.993 1.00 14.11 H new ATOM 0 H3 MET A 1 7.625 -19.058 15.958 1.00 14.11 H new ATOM 0 HA MET A 1 4.697 -19.222 16.333 1.00 53.34 H new ATOM 0 HB2 MET A 1 5.211 -20.529 18.387 1.00 50.03 H new ATOM 0 HB3 MET A 1 5.706 -21.368 16.931 1.00 50.03 H new ATOM 0 HG2 MET A 1 8.047 -20.695 17.308 1.00 20.50 H new ATOM 0 HG3 MET A 1 7.575 -19.781 18.727 1.00 20.50 H new ATOM 0 HE1 MET A 1 9.513 -22.910 20.198 1.00 1.12 H new ATOM 0 HE2 MET A 1 9.851 -22.080 18.661 1.00 1.12 H new ATOM 0 HE3 MET A 1 9.449 -21.134 20.114 1.00 1.12 H new ATOM 20 N LYS A 2 6.586 -16.973 17.234 1.00 1.43 N ATOM 21 CA LYS A 2 6.732 -15.733 18.011 1.00 12.51 C ATOM 22 C LYS A 2 6.373 -14.501 17.165 1.00 41.32 C ATOM 23 O LYS A 2 7.241 -13.903 16.529 1.00 11.23 O ATOM 24 CB LYS A 2 8.165 -15.582 18.544 1.00 45.20 C ATOM 25 CG LYS A 2 8.665 -16.763 19.371 1.00 63.15 C ATOM 26 CD LYS A 2 10.033 -16.476 19.990 1.00 30.14 C ATOM 27 CE LYS A 2 11.061 -16.053 18.942 1.00 22.03 C ATOM 28 NZ LYS A 2 11.270 -17.097 17.905 1.00 60.23 N ATOM 0 H LYS A 2 7.106 -16.983 16.357 1.00 1.43 H new ATOM 0 HA LYS A 2 6.042 -15.798 18.852 1.00 12.51 H new ATOM 0 HB2 LYS A 2 8.839 -15.436 17.700 1.00 45.20 H new ATOM 0 HB3 LYS A 2 8.218 -14.680 19.154 1.00 45.20 H new ATOM 0 HG2 LYS A 2 7.947 -16.985 20.160 1.00 63.15 H new ATOM 0 HG3 LYS A 2 8.729 -17.649 18.740 1.00 63.15 H new ATOM 0 HD2 LYS A 2 9.934 -15.689 20.738 1.00 30.14 H new ATOM 0 HD3 LYS A 2 10.390 -17.366 20.508 1.00 30.14 H new ATOM 0 HE2 LYS A 2 10.731 -15.130 18.464 1.00 22.03 H new ATOM 0 HE3 LYS A 2 12.010 -15.837 19.433 1.00 22.03 H new ATOM 0 HZ1 LYS A 2 12.046 -16.810 17.275 1.00 60.23 H new ATOM 0 HZ2 LYS A 2 11.511 -17.999 18.364 1.00 60.23 H new ATOM 0 HZ3 LYS A 2 10.399 -17.214 17.349 1.00 60.23 H new ATOM 42 N PRO A 3 5.084 -14.120 17.116 1.00 41.53 N ATOM 43 CA PRO A 3 4.647 -12.924 16.391 1.00 71.12 C ATOM 44 C PRO A 3 4.778 -11.641 17.231 1.00 24.02 C ATOM 45 O PRO A 3 3.867 -11.275 17.981 1.00 70.03 O ATOM 46 CB PRO A 3 3.183 -13.242 16.077 1.00 70.23 C ATOM 47 CG PRO A 3 2.725 -14.089 17.223 1.00 24.22 C ATOM 48 CD PRO A 3 3.945 -14.826 17.739 1.00 75.13 C ATOM 0 HA PRO A 3 5.253 -12.723 15.508 1.00 71.12 H new ATOM 0 HB2 PRO A 3 2.589 -12.332 15.995 1.00 70.23 H new ATOM 0 HB3 PRO A 3 3.087 -13.772 15.129 1.00 70.23 H new ATOM 0 HG2 PRO A 3 2.285 -13.473 18.007 1.00 24.22 H new ATOM 0 HG3 PRO A 3 1.956 -14.792 16.901 1.00 24.22 H new ATOM 0 HD2 PRO A 3 4.001 -14.791 18.827 1.00 75.13 H new ATOM 0 HD3 PRO A 3 3.925 -15.878 17.455 1.00 75.13 H new ATOM 56 N GLU A 4 5.927 -10.973 17.124 1.00 51.52 N ATOM 57 CA GLU A 4 6.170 -9.734 17.877 1.00 52.54 C ATOM 58 C GLU A 4 5.306 -8.574 17.345 1.00 45.22 C ATOM 59 O GLU A 4 5.741 -7.765 16.520 1.00 45.24 O ATOM 60 CB GLU A 4 7.672 -9.356 17.888 1.00 44.23 C ATOM 61 CG GLU A 4 8.311 -9.129 16.514 1.00 10.22 C ATOM 62 CD GLU A 4 8.524 -10.414 15.726 1.00 4.21 C ATOM 63 OE1 GLU A 4 9.483 -11.151 16.028 1.00 42.22 O ATOM 64 OE2 GLU A 4 7.738 -10.688 14.792 1.00 41.42 O ATOM 0 H GLU A 4 6.702 -11.264 16.528 1.00 51.52 H new ATOM 0 HA GLU A 4 5.874 -9.921 18.909 1.00 52.54 H new ATOM 0 HB2 GLU A 4 7.795 -8.449 18.480 1.00 44.23 H new ATOM 0 HB3 GLU A 4 8.223 -10.146 18.398 1.00 44.23 H new ATOM 0 HG2 GLU A 4 7.679 -8.457 15.934 1.00 10.22 H new ATOM 0 HG3 GLU A 4 9.271 -8.629 16.646 1.00 10.22 H new ATOM 71 N HIS A 5 4.064 -8.513 17.819 1.00 34.42 N ATOM 72 CA HIS A 5 3.112 -7.496 17.368 1.00 3.32 C ATOM 73 C HIS A 5 3.432 -6.118 17.968 1.00 34.43 C ATOM 74 O HIS A 5 3.252 -5.883 19.166 1.00 32.53 O ATOM 75 CB HIS A 5 1.676 -7.912 17.721 1.00 20.50 C ATOM 76 CG HIS A 5 0.636 -6.923 17.280 1.00 12.23 C ATOM 77 ND1 HIS A 5 0.254 -6.771 15.964 1.00 71.12 N ATOM 78 CD2 HIS A 5 -0.098 -6.024 17.984 1.00 11.02 C ATOM 79 CE1 HIS A 5 -0.662 -5.830 15.876 1.00 41.44 C ATOM 80 NE2 HIS A 5 -0.894 -5.362 17.084 1.00 62.42 N ATOM 0 H HIS A 5 3.691 -9.156 18.517 1.00 34.42 H new ATOM 0 HA HIS A 5 3.201 -7.416 16.285 1.00 3.32 H new ATOM 0 HB2 HIS A 5 1.464 -8.878 17.263 1.00 20.50 H new ATOM 0 HB3 HIS A 5 1.601 -8.048 18.800 1.00 20.50 H new ATOM 0 HD2 HIS A 5 -0.062 -5.861 19.051 1.00 11.02 H new ATOM 0 HE1 HIS A 5 -1.142 -5.498 14.967 1.00 41.44 H new ATOM 0 HE2 HIS A 5 -1.560 -4.624 17.314 1.00 62.42 H new ATOM 89 N ARG A 6 3.910 -5.211 17.125 1.00 63.32 N ATOM 90 CA ARG A 6 4.209 -3.839 17.541 1.00 34.54 C ATOM 91 C ARG A 6 3.335 -2.837 16.774 1.00 13.32 C ATOM 92 O ARG A 6 2.488 -3.226 15.968 1.00 43.34 O ATOM 93 CB ARG A 6 5.694 -3.529 17.299 1.00 51.34 C ATOM 94 CG ARG A 6 6.647 -4.551 17.917 1.00 20.32 C ATOM 95 CD ARG A 6 8.108 -4.232 17.600 1.00 50.04 C ATOM 96 NE ARG A 6 8.323 -4.026 16.167 1.00 43.10 N ATOM 97 CZ ARG A 6 9.250 -4.607 15.456 1.00 54.44 C ATOM 98 NH1 ARG A 6 10.074 -5.449 15.988 1.00 43.02 N ATOM 99 NH2 ARG A 6 9.346 -4.338 14.197 1.00 41.22 N ATOM 0 H ARG A 6 4.101 -5.399 16.141 1.00 63.32 H new ATOM 0 HA ARG A 6 3.991 -3.746 18.605 1.00 34.54 H new ATOM 0 HB2 ARG A 6 5.875 -3.481 16.225 1.00 51.34 H new ATOM 0 HB3 ARG A 6 5.920 -2.543 17.705 1.00 51.34 H new ATOM 0 HG2 ARG A 6 6.506 -4.572 18.998 1.00 20.32 H new ATOM 0 HG3 ARG A 6 6.404 -5.546 17.545 1.00 20.32 H new ATOM 0 HD2 ARG A 6 8.411 -3.338 18.145 1.00 50.04 H new ATOM 0 HD3 ARG A 6 8.742 -5.048 17.949 1.00 50.04 H new ATOM 0 HE ARG A 6 7.699 -3.377 15.687 1.00 43.10 H new ATOM 0 HH11 ARG A 6 10.007 -5.670 16.981 1.00 43.02 H new ATOM 0 HH12 ARG A 6 10.792 -5.892 15.414 1.00 43.02 H new ATOM 0 HH21 ARG A 6 8.700 -3.676 13.766 1.00 41.22 H new ATOM 0 HH22 ARG A 6 10.068 -4.787 13.633 1.00 41.22 H new ATOM 113 N MET A 7 3.537 -1.552 17.037 1.00 53.40 N ATOM 114 CA MET A 7 2.856 -0.489 16.293 1.00 2.05 C ATOM 115 C MET A 7 3.883 0.346 15.517 1.00 54.43 C ATOM 116 O MET A 7 4.029 1.549 15.744 1.00 62.04 O ATOM 117 CB MET A 7 2.049 0.404 17.249 1.00 5.32 C ATOM 118 CG MET A 7 0.935 -0.329 17.986 1.00 32.24 C ATOM 119 SD MET A 7 -0.331 -0.972 16.871 1.00 45.24 S ATOM 120 CE MET A 7 -0.959 0.548 16.158 1.00 42.41 C ATOM 0 H MET A 7 4.169 -1.215 17.763 1.00 53.40 H new ATOM 0 HA MET A 7 2.164 -0.943 15.584 1.00 2.05 H new ATOM 0 HB2 MET A 7 2.728 0.843 17.980 1.00 5.32 H new ATOM 0 HB3 MET A 7 1.615 1.228 16.682 1.00 5.32 H new ATOM 0 HG2 MET A 7 1.363 -1.153 18.557 1.00 32.24 H new ATOM 0 HG3 MET A 7 0.472 0.349 18.703 1.00 32.24 H new ATOM 0 HE1 MET A 7 -1.941 0.367 15.722 1.00 42.41 H new ATOM 0 HE2 MET A 7 -1.042 1.308 16.935 1.00 42.41 H new ATOM 0 HE3 MET A 7 -0.276 0.895 15.383 1.00 42.41 H new ATOM 130 N ASP A 8 4.604 -0.308 14.609 1.00 12.32 N ATOM 131 CA ASP A 8 5.693 0.339 13.878 1.00 71.31 C ATOM 132 C ASP A 8 5.164 1.353 12.852 1.00 3.22 C ATOM 133 O ASP A 8 4.556 0.982 11.844 1.00 34.31 O ATOM 134 CB ASP A 8 6.567 -0.706 13.174 1.00 0.14 C ATOM 135 CG ASP A 8 7.129 -1.742 14.132 1.00 74.33 C ATOM 136 OD1 ASP A 8 7.690 -1.356 15.178 1.00 22.22 O ATOM 137 OD2 ASP A 8 7.031 -2.950 13.838 1.00 44.53 O ATOM 0 H ASP A 8 4.454 -1.286 14.361 1.00 12.32 H new ATOM 0 HA ASP A 8 6.297 0.879 14.608 1.00 71.31 H new ATOM 0 HB2 ASP A 8 5.978 -1.208 12.407 1.00 0.14 H new ATOM 0 HB3 ASP A 8 7.390 -0.203 12.666 1.00 0.14 H new ATOM 142 N THR A 9 5.387 2.635 13.126 1.00 42.32 N ATOM 143 CA THR A 9 5.047 3.698 12.175 1.00 14.14 C ATOM 144 C THR A 9 6.011 3.672 10.988 1.00 31.31 C ATOM 145 O THR A 9 6.976 2.908 10.981 1.00 43.21 O ATOM 146 CB THR A 9 5.118 5.099 12.829 1.00 10.11 C ATOM 147 OG1 THR A 9 6.476 5.399 13.198 1.00 22.51 O ATOM 148 CG2 THR A 9 4.219 5.177 14.061 1.00 31.42 C ATOM 0 H THR A 9 5.801 2.967 13.997 1.00 42.32 H new ATOM 0 HA THR A 9 4.025 3.514 11.843 1.00 14.14 H new ATOM 0 HB THR A 9 4.767 5.832 12.102 1.00 10.11 H new ATOM 0 HG1 THR A 9 6.514 6.287 13.610 1.00 22.51 H new ATOM 0 HG21 THR A 9 4.289 6.172 14.500 1.00 31.42 H new ATOM 0 HG22 THR A 9 3.187 4.980 13.771 1.00 31.42 H new ATOM 0 HG23 THR A 9 4.539 4.435 14.792 1.00 31.42 H new ATOM 156 N ILE A 10 5.772 4.525 9.994 1.00 25.50 N ATOM 157 CA ILE A 10 6.651 4.597 8.823 1.00 40.55 C ATOM 158 C ILE A 10 8.103 4.921 9.232 1.00 14.12 C ATOM 159 O ILE A 10 9.054 4.627 8.504 1.00 71.42 O ATOM 160 CB ILE A 10 6.132 5.628 7.791 1.00 55.04 C ATOM 161 CG1 ILE A 10 4.689 5.273 7.376 1.00 34.52 C ATOM 162 CG2 ILE A 10 7.047 5.674 6.567 1.00 31.43 C ATOM 163 CD1 ILE A 10 4.086 6.201 6.339 1.00 14.31 C ATOM 0 H ILE A 10 4.984 5.172 9.973 1.00 25.50 H new ATOM 0 HA ILE A 10 6.644 3.615 8.351 1.00 40.55 H new ATOM 0 HB ILE A 10 6.134 6.616 8.251 1.00 55.04 H new ATOM 0 HG12 ILE A 10 4.677 4.255 6.985 1.00 34.52 H new ATOM 0 HG13 ILE A 10 4.057 5.281 8.264 1.00 34.52 H new ATOM 0 HG21 ILE A 10 6.665 6.405 5.854 1.00 31.43 H new ATOM 0 HG22 ILE A 10 8.053 5.960 6.875 1.00 31.43 H new ATOM 0 HG23 ILE A 10 7.077 4.691 6.098 1.00 31.43 H new ATOM 0 HD11 ILE A 10 3.071 5.877 6.107 1.00 14.31 H new ATOM 0 HD12 ILE A 10 4.061 7.218 6.731 1.00 14.31 H new ATOM 0 HD13 ILE A 10 4.691 6.176 5.433 1.00 14.31 H new ATOM 175 N SER A 11 8.257 5.509 10.417 1.00 75.34 N ATOM 176 CA SER A 11 9.581 5.786 10.995 1.00 71.32 C ATOM 177 C SER A 11 10.287 4.496 11.469 1.00 12.22 C ATOM 178 O SER A 11 11.515 4.388 11.411 1.00 10.24 O ATOM 179 CB SER A 11 9.445 6.759 12.175 1.00 43.30 C ATOM 180 OG SER A 11 10.682 6.935 12.847 1.00 23.43 O ATOM 0 H SER A 11 7.477 5.807 11.004 1.00 75.34 H new ATOM 0 HA SER A 11 10.192 6.234 10.211 1.00 71.32 H new ATOM 0 HB2 SER A 11 9.085 7.723 11.814 1.00 43.30 H new ATOM 0 HB3 SER A 11 8.699 6.382 12.875 1.00 43.30 H new ATOM 0 HG SER A 11 10.563 7.561 13.592 1.00 23.43 H new ATOM 186 N LYS A 12 9.506 3.515 11.930 1.00 32.44 N ATOM 187 CA LYS A 12 10.060 2.273 12.501 1.00 74.44 C ATOM 188 C LYS A 12 9.843 1.034 11.616 1.00 24.32 C ATOM 189 O LYS A 12 10.052 -0.096 12.068 1.00 43.24 O ATOM 190 CB LYS A 12 9.470 2.025 13.898 1.00 64.25 C ATOM 191 CG LYS A 12 10.002 2.977 14.962 1.00 12.34 C ATOM 192 CD LYS A 12 11.503 2.775 15.162 1.00 43.43 C ATOM 193 CE LYS A 12 12.080 3.705 16.217 1.00 44.40 C ATOM 194 NZ LYS A 12 13.535 3.472 16.411 1.00 62.51 N ATOM 0 H LYS A 12 8.487 3.552 11.921 1.00 32.44 H new ATOM 0 HA LYS A 12 11.138 2.423 12.565 1.00 74.44 H new ATOM 0 HB2 LYS A 12 8.385 2.120 13.847 1.00 64.25 H new ATOM 0 HB3 LYS A 12 9.687 1.000 14.198 1.00 64.25 H new ATOM 0 HG2 LYS A 12 9.804 4.008 14.667 1.00 12.34 H new ATOM 0 HG3 LYS A 12 9.478 2.809 15.903 1.00 12.34 H new ATOM 0 HD2 LYS A 12 11.692 1.741 15.451 1.00 43.43 H new ATOM 0 HD3 LYS A 12 12.018 2.940 14.216 1.00 43.43 H new ATOM 0 HE2 LYS A 12 11.912 4.741 15.921 1.00 44.40 H new ATOM 0 HE3 LYS A 12 11.557 3.554 17.162 1.00 44.40 H new ATOM 0 HZ1 LYS A 12 13.897 4.123 17.137 1.00 62.51 H new ATOM 0 HZ2 LYS A 12 13.692 2.490 16.717 1.00 62.51 H new ATOM 0 HZ3 LYS A 12 14.036 3.640 15.515 1.00 62.51 H new ATOM 208 N LEU A 13 9.456 1.234 10.361 1.00 65.41 N ATOM 209 CA LEU A 13 9.268 0.112 9.432 1.00 21.25 C ATOM 210 C LEU A 13 10.596 -0.593 9.110 1.00 61.40 C ATOM 211 O LEU A 13 11.293 -0.237 8.158 1.00 14.21 O ATOM 212 CB LEU A 13 8.599 0.584 8.134 1.00 34.13 C ATOM 213 CG LEU A 13 7.183 1.154 8.297 1.00 2.22 C ATOM 214 CD1 LEU A 13 6.605 1.549 6.943 1.00 40.13 C ATOM 215 CD2 LEU A 13 6.275 0.153 9.006 1.00 53.52 C ATOM 0 H LEU A 13 9.266 2.153 9.960 1.00 65.41 H new ATOM 0 HA LEU A 13 8.616 -0.607 9.928 1.00 21.25 H new ATOM 0 HB2 LEU A 13 9.229 1.346 7.676 1.00 34.13 H new ATOM 0 HB3 LEU A 13 8.558 -0.255 7.440 1.00 34.13 H new ATOM 0 HG LEU A 13 7.243 2.050 8.915 1.00 2.22 H new ATOM 0 HD11 LEU A 13 5.601 1.951 7.079 1.00 40.13 H new ATOM 0 HD12 LEU A 13 7.240 2.307 6.483 1.00 40.13 H new ATOM 0 HD13 LEU A 13 6.560 0.672 6.297 1.00 40.13 H new ATOM 0 HD21 LEU A 13 5.277 0.578 9.111 1.00 53.52 H new ATOM 0 HD22 LEU A 13 6.219 -0.765 8.421 1.00 53.52 H new ATOM 0 HD23 LEU A 13 6.680 -0.070 9.993 1.00 53.52 H new ATOM 227 N GLU A 14 10.948 -1.582 9.929 1.00 3.31 N ATOM 228 CA GLU A 14 12.156 -2.380 9.708 1.00 51.11 C ATOM 229 C GLU A 14 11.909 -3.482 8.666 1.00 4.23 C ATOM 230 O GLU A 14 10.844 -4.105 8.640 1.00 52.11 O ATOM 231 CB GLU A 14 12.635 -3.004 11.031 1.00 43.13 C ATOM 232 CG GLU A 14 13.903 -3.850 10.890 1.00 72.10 C ATOM 233 CD GLU A 14 14.372 -4.455 12.206 1.00 74.52 C ATOM 234 OE1 GLU A 14 13.933 -5.577 12.543 1.00 20.34 O ATOM 235 OE2 GLU A 14 15.184 -3.814 12.905 1.00 15.01 O ATOM 0 H GLU A 14 10.413 -1.852 10.755 1.00 3.31 H new ATOM 0 HA GLU A 14 12.931 -1.716 9.326 1.00 51.11 H new ATOM 0 HB2 GLU A 14 12.819 -2.208 11.752 1.00 43.13 H new ATOM 0 HB3 GLU A 14 11.838 -3.626 11.439 1.00 43.13 H new ATOM 0 HG2 GLU A 14 13.719 -4.652 10.175 1.00 72.10 H new ATOM 0 HG3 GLU A 14 14.700 -3.232 10.478 1.00 72.10 H new ATOM 242 N GLU A 15 12.899 -3.711 7.808 1.00 2.43 N ATOM 243 CA GLU A 15 12.822 -4.765 6.793 1.00 31.13 C ATOM 244 C GLU A 15 12.488 -6.135 7.419 1.00 62.22 C ATOM 245 O GLU A 15 13.085 -6.546 8.420 1.00 22.33 O ATOM 246 CB GLU A 15 14.148 -4.841 6.018 1.00 23.20 C ATOM 247 CG GLU A 15 15.369 -5.070 6.906 1.00 63.15 C ATOM 248 CD GLU A 15 16.669 -5.117 6.121 1.00 42.23 C ATOM 249 OE1 GLU A 15 16.982 -6.177 5.538 1.00 64.33 O ATOM 250 OE2 GLU A 15 17.390 -4.097 6.083 1.00 5.51 O ATOM 0 H GLU A 15 13.769 -3.179 7.793 1.00 2.43 H new ATOM 0 HA GLU A 15 12.015 -4.513 6.106 1.00 31.13 H new ATOM 0 HB2 GLU A 15 14.085 -5.648 5.288 1.00 23.20 H new ATOM 0 HB3 GLU A 15 14.285 -3.915 5.459 1.00 23.20 H new ATOM 0 HG2 GLU A 15 15.427 -4.274 7.648 1.00 63.15 H new ATOM 0 HG3 GLU A 15 15.245 -6.006 7.451 1.00 63.15 H new ATOM 257 N GLY A 16 11.509 -6.823 6.841 1.00 1.34 N ATOM 258 CA GLY A 16 11.109 -8.140 7.329 1.00 1.52 C ATOM 259 C GLY A 16 9.936 -8.105 8.312 1.00 43.34 C ATOM 260 O GLY A 16 9.286 -9.127 8.540 1.00 51.02 O ATOM 0 H GLY A 16 10.978 -6.492 6.035 1.00 1.34 H new ATOM 0 HA2 GLY A 16 10.839 -8.766 6.478 1.00 1.52 H new ATOM 0 HA3 GLY A 16 11.963 -8.612 7.814 1.00 1.52 H new ATOM 264 N ALA A 17 9.659 -6.935 8.888 1.00 1.20 N ATOM 265 CA ALA A 17 8.614 -6.797 9.913 1.00 45.21 C ATOM 266 C ALA A 17 7.191 -6.826 9.323 1.00 45.34 C ATOM 267 O ALA A 17 6.969 -6.455 8.165 1.00 10.15 O ATOM 268 CB ALA A 17 8.823 -5.507 10.703 1.00 12.10 C ATOM 0 H ALA A 17 10.143 -6.065 8.664 1.00 1.20 H new ATOM 0 HA ALA A 17 8.703 -7.658 10.575 1.00 45.21 H new ATOM 0 HB1 ALA A 17 8.044 -5.414 11.460 1.00 12.10 H new ATOM 0 HB2 ALA A 17 9.799 -5.531 11.188 1.00 12.10 H new ATOM 0 HB3 ALA A 17 8.775 -4.654 10.026 1.00 12.10 H new ATOM 274 N GLU A 18 6.232 -7.277 10.135 1.00 70.15 N ATOM 275 CA GLU A 18 4.815 -7.274 9.756 1.00 50.45 C ATOM 276 C GLU A 18 4.009 -6.371 10.709 1.00 14.24 C ATOM 277 O GLU A 18 3.805 -6.701 11.879 1.00 65.41 O ATOM 278 CB GLU A 18 4.263 -8.709 9.778 1.00 15.31 C ATOM 279 CG GLU A 18 2.829 -8.833 9.269 1.00 44.24 C ATOM 280 CD GLU A 18 2.362 -10.280 9.174 1.00 65.34 C ATOM 281 OE1 GLU A 18 2.921 -11.038 8.351 1.00 21.21 O ATOM 282 OE2 GLU A 18 1.429 -10.667 9.909 1.00 31.55 O ATOM 0 H GLU A 18 6.412 -7.652 11.066 1.00 70.15 H new ATOM 0 HA GLU A 18 4.720 -6.878 8.745 1.00 50.45 H new ATOM 0 HB2 GLU A 18 4.909 -9.345 9.172 1.00 15.31 H new ATOM 0 HB3 GLU A 18 4.309 -9.089 10.799 1.00 15.31 H new ATOM 0 HG2 GLU A 18 2.163 -8.283 9.934 1.00 44.24 H new ATOM 0 HG3 GLU A 18 2.755 -8.366 8.287 1.00 44.24 H new ATOM 289 N THR A 19 3.551 -5.235 10.194 1.00 14.52 N ATOM 290 CA THR A 19 2.853 -4.226 11.011 1.00 3.14 C ATOM 291 C THR A 19 1.843 -3.428 10.169 1.00 63.51 C ATOM 292 O THR A 19 2.006 -3.311 8.954 1.00 43.12 O ATOM 293 CB THR A 19 3.869 -3.240 11.656 1.00 50.02 C ATOM 294 OG1 THR A 19 3.186 -2.207 12.389 1.00 55.42 O ATOM 295 CG2 THR A 19 4.767 -2.606 10.596 1.00 73.12 C ATOM 0 H THR A 19 3.647 -4.981 9.211 1.00 14.52 H new ATOM 0 HA THR A 19 2.317 -4.760 11.795 1.00 3.14 H new ATOM 0 HB THR A 19 4.489 -3.814 12.345 1.00 50.02 H new ATOM 0 HG1 THR A 19 3.723 -1.387 12.376 1.00 55.42 H new ATOM 0 HG21 THR A 19 5.467 -1.921 11.075 1.00 73.12 H new ATOM 0 HG22 THR A 19 5.321 -3.386 10.075 1.00 73.12 H new ATOM 0 HG23 THR A 19 4.154 -2.057 9.881 1.00 73.12 H new ATOM 303 N PRO A 20 0.766 -2.893 10.785 1.00 23.40 N ATOM 304 CA PRO A 20 -0.151 -1.968 10.095 1.00 55.04 C ATOM 305 C PRO A 20 0.492 -0.586 9.859 1.00 71.15 C ATOM 306 O PRO A 20 1.199 -0.065 10.721 1.00 74.12 O ATOM 307 CB PRO A 20 -1.341 -1.863 11.062 1.00 44.25 C ATOM 308 CG PRO A 20 -0.758 -2.147 12.407 1.00 4.43 C ATOM 309 CD PRO A 20 0.343 -3.153 12.180 1.00 14.12 C ATOM 0 HA PRO A 20 -0.429 -2.322 9.102 1.00 55.04 H new ATOM 0 HB2 PRO A 20 -1.794 -0.872 11.027 1.00 44.25 H new ATOM 0 HB3 PRO A 20 -2.122 -2.580 10.809 1.00 44.25 H new ATOM 0 HG2 PRO A 20 -0.367 -1.237 12.863 1.00 4.43 H new ATOM 0 HG3 PRO A 20 -1.515 -2.543 13.084 1.00 4.43 H new ATOM 0 HD2 PRO A 20 1.165 -3.013 12.882 1.00 14.12 H new ATOM 0 HD3 PRO A 20 -0.014 -4.175 12.307 1.00 14.12 H new ATOM 317 N VAL A 21 0.229 0.013 8.697 1.00 50.24 N ATOM 318 CA VAL A 21 0.840 1.300 8.333 1.00 41.04 C ATOM 319 C VAL A 21 -0.222 2.369 8.021 1.00 34.31 C ATOM 320 O VAL A 21 -1.252 2.082 7.414 1.00 65.12 O ATOM 321 CB VAL A 21 1.783 1.153 7.105 1.00 33.51 C ATOM 322 CG1 VAL A 21 2.954 0.225 7.425 1.00 62.22 C ATOM 323 CG2 VAL A 21 1.017 0.654 5.879 1.00 64.43 C ATOM 0 H VAL A 21 -0.401 -0.368 7.991 1.00 50.24 H new ATOM 0 HA VAL A 21 1.420 1.620 9.199 1.00 41.04 H new ATOM 0 HB VAL A 21 2.184 2.140 6.873 1.00 33.51 H new ATOM 0 HG11 VAL A 21 3.599 0.138 6.551 1.00 62.22 H new ATOM 0 HG12 VAL A 21 3.525 0.634 8.258 1.00 62.22 H new ATOM 0 HG13 VAL A 21 2.574 -0.760 7.695 1.00 62.22 H new ATOM 0 HG21 VAL A 21 1.701 0.561 5.036 1.00 64.43 H new ATOM 0 HG22 VAL A 21 0.575 -0.318 6.097 1.00 64.43 H new ATOM 0 HG23 VAL A 21 0.228 1.363 5.629 1.00 64.43 H new ATOM 333 N THR A 22 0.042 3.603 8.443 1.00 52.11 N ATOM 334 CA THR A 22 -0.880 4.726 8.201 1.00 64.21 C ATOM 335 C THR A 22 -0.187 5.838 7.403 1.00 65.22 C ATOM 336 O THR A 22 0.991 6.116 7.615 1.00 11.41 O ATOM 337 CB THR A 22 -1.411 5.325 9.531 1.00 44.14 C ATOM 338 OG1 THR A 22 -1.943 4.286 10.371 1.00 12.21 O ATOM 339 CG2 THR A 22 -2.500 6.361 9.269 1.00 5.33 C ATOM 0 H THR A 22 0.886 3.858 8.956 1.00 52.11 H new ATOM 0 HA THR A 22 -1.719 4.329 7.630 1.00 64.21 H new ATOM 0 HB THR A 22 -0.574 5.810 10.033 1.00 44.14 H new ATOM 0 HG1 THR A 22 -2.273 4.678 11.207 1.00 12.21 H new ATOM 0 HG21 THR A 22 -2.854 6.764 10.218 1.00 5.33 H new ATOM 0 HG22 THR A 22 -2.095 7.169 8.660 1.00 5.33 H new ATOM 0 HG23 THR A 22 -3.330 5.891 8.742 1.00 5.33 H new ATOM 347 N GLY A 23 -0.915 6.471 6.484 1.00 4.24 N ATOM 348 CA GLY A 23 -0.335 7.551 5.696 1.00 44.45 C ATOM 349 C GLY A 23 -1.357 8.322 4.866 1.00 73.44 C ATOM 350 O GLY A 23 -2.430 7.810 4.539 1.00 21.13 O ATOM 0 H GLY A 23 -1.890 6.258 6.271 1.00 4.24 H new ATOM 0 HA2 GLY A 23 0.174 8.245 6.365 1.00 44.45 H new ATOM 0 HA3 GLY A 23 0.422 7.137 5.030 1.00 44.45 H new ATOM 354 N ARG A 24 -1.017 9.559 4.522 1.00 70.54 N ATOM 355 CA ARG A 24 -1.879 10.410 3.697 1.00 33.41 C ATOM 356 C ARG A 24 -1.479 10.306 2.214 1.00 22.33 C ATOM 357 O ARG A 24 -0.360 10.655 1.842 1.00 32.24 O ATOM 358 CB ARG A 24 -1.780 11.863 4.191 1.00 74.25 C ATOM 359 CG ARG A 24 -2.132 12.014 5.672 1.00 50.45 C ATOM 360 CD ARG A 24 -1.932 13.439 6.185 1.00 31.00 C ATOM 361 NE ARG A 24 -0.526 13.849 6.163 1.00 34.01 N ATOM 362 CZ ARG A 24 0.197 14.064 7.231 1.00 52.54 C ATOM 363 NH1 ARG A 24 -0.286 13.840 8.411 1.00 0.31 N ATOM 364 NH2 ARG A 24 1.410 14.499 7.117 1.00 20.25 N ATOM 0 H ARG A 24 -0.142 10.002 4.803 1.00 70.54 H new ATOM 0 HA ARG A 24 -2.912 10.074 3.787 1.00 33.41 H new ATOM 0 HB2 ARG A 24 -0.767 12.230 4.024 1.00 74.25 H new ATOM 0 HB3 ARG A 24 -2.447 12.489 3.599 1.00 74.25 H new ATOM 0 HG2 ARG A 24 -3.170 11.720 5.826 1.00 50.45 H new ATOM 0 HG3 ARG A 24 -1.517 11.332 6.259 1.00 50.45 H new ATOM 0 HD2 ARG A 24 -2.518 14.127 5.575 1.00 31.00 H new ATOM 0 HD3 ARG A 24 -2.313 13.512 7.204 1.00 31.00 H new ATOM 0 HE ARG A 24 -0.081 13.975 5.254 1.00 34.01 H new ATOM 0 HH11 ARG A 24 -1.239 13.492 8.514 1.00 0.31 H new ATOM 0 HH12 ARG A 24 0.287 14.011 9.237 1.00 0.31 H new ATOM 0 HH21 ARG A 24 1.804 14.675 6.193 1.00 20.25 H new ATOM 0 HH22 ARG A 24 1.972 14.666 7.951 1.00 20.25 H new ATOM 378 N VAL A 25 -2.397 9.825 1.377 1.00 15.53 N ATOM 379 CA VAL A 25 -2.101 9.545 -0.037 1.00 50.12 C ATOM 380 C VAL A 25 -1.708 10.812 -0.821 1.00 22.40 C ATOM 381 O VAL A 25 -2.441 11.802 -0.842 1.00 75.43 O ATOM 382 CB VAL A 25 -3.305 8.870 -0.743 1.00 23.34 C ATOM 383 CG1 VAL A 25 -2.978 8.567 -2.206 1.00 73.30 C ATOM 384 CG2 VAL A 25 -3.722 7.595 -0.009 1.00 62.33 C ATOM 0 H VAL A 25 -3.358 9.619 1.650 1.00 15.53 H new ATOM 0 HA VAL A 25 -1.249 8.865 -0.033 1.00 50.12 H new ATOM 0 HB VAL A 25 -4.143 9.567 -0.718 1.00 23.34 H new ATOM 0 HG11 VAL A 25 -3.838 8.094 -2.680 1.00 73.30 H new ATOM 0 HG12 VAL A 25 -2.742 9.496 -2.726 1.00 73.30 H new ATOM 0 HG13 VAL A 25 -2.121 7.895 -2.256 1.00 73.30 H new ATOM 0 HG21 VAL A 25 -4.568 7.139 -0.523 1.00 62.33 H new ATOM 0 HG22 VAL A 25 -2.887 6.894 0.007 1.00 62.33 H new ATOM 0 HG23 VAL A 25 -4.008 7.841 1.014 1.00 62.33 H new ATOM 394 N MET A 26 -0.544 10.762 -1.472 1.00 14.42 N ATOM 395 CA MET A 26 -0.066 11.869 -2.312 1.00 0.11 C ATOM 396 C MET A 26 -0.096 11.491 -3.806 1.00 63.21 C ATOM 397 O MET A 26 -0.691 12.193 -4.622 1.00 34.43 O ATOM 398 CB MET A 26 1.361 12.269 -1.904 1.00 70.04 C ATOM 399 CG MET A 26 1.943 13.407 -2.736 1.00 13.01 C ATOM 400 SD MET A 26 3.634 13.827 -2.267 1.00 51.20 S ATOM 401 CE MET A 26 4.478 12.270 -2.548 1.00 22.12 C ATOM 0 H MET A 26 0.090 9.964 -1.435 1.00 14.42 H new ATOM 0 HA MET A 26 -0.735 12.716 -2.160 1.00 0.11 H new ATOM 0 HB2 MET A 26 1.360 12.563 -0.854 1.00 70.04 H new ATOM 0 HB3 MET A 26 2.011 11.398 -1.991 1.00 70.04 H new ATOM 0 HG2 MET A 26 1.922 13.127 -3.789 1.00 13.01 H new ATOM 0 HG3 MET A 26 1.312 14.289 -2.628 1.00 13.01 H new ATOM 0 HE1 MET A 26 5.415 12.454 -3.074 1.00 22.12 H new ATOM 0 HE2 MET A 26 4.687 11.791 -1.591 1.00 22.12 H new ATOM 0 HE3 MET A 26 3.846 11.617 -3.150 1.00 22.12 H new ATOM 411 N LYS A 27 0.561 10.381 -4.151 1.00 53.32 N ATOM 412 CA LYS A 27 0.651 9.927 -5.550 1.00 64.24 C ATOM 413 C LYS A 27 0.195 8.469 -5.695 1.00 73.24 C ATOM 414 O LYS A 27 0.596 7.608 -4.917 1.00 60.23 O ATOM 415 CB LYS A 27 2.101 10.052 -6.064 1.00 14.44 C ATOM 416 CG LYS A 27 2.667 11.471 -6.037 1.00 23.23 C ATOM 417 CD LYS A 27 1.785 12.441 -6.814 1.00 73.15 C ATOM 418 CE LYS A 27 2.401 13.832 -6.902 1.00 24.03 C ATOM 419 NZ LYS A 27 1.492 14.793 -7.582 1.00 63.24 N ATOM 0 H LYS A 27 1.040 9.776 -3.484 1.00 53.32 H new ATOM 0 HA LYS A 27 -0.008 10.563 -6.141 1.00 64.24 H new ATOM 0 HB2 LYS A 27 2.742 9.408 -5.462 1.00 14.44 H new ATOM 0 HB3 LYS A 27 2.143 9.678 -7.087 1.00 14.44 H new ATOM 0 HG2 LYS A 27 2.757 11.808 -5.004 1.00 23.23 H new ATOM 0 HG3 LYS A 27 3.671 11.471 -6.461 1.00 23.23 H new ATOM 0 HD2 LYS A 27 1.620 12.054 -7.820 1.00 73.15 H new ATOM 0 HD3 LYS A 27 0.809 12.507 -6.333 1.00 73.15 H new ATOM 0 HE2 LYS A 27 2.629 14.193 -5.899 1.00 24.03 H new ATOM 0 HE3 LYS A 27 3.345 13.778 -7.444 1.00 24.03 H new ATOM 0 HZ1 LYS A 27 1.944 15.729 -7.624 1.00 63.24 H new ATOM 0 HZ2 LYS A 27 1.295 14.461 -8.547 1.00 63.24 H new ATOM 0 HZ3 LYS A 27 0.600 14.863 -7.051 1.00 63.24 H new ATOM 433 N ILE A 28 -0.648 8.195 -6.687 1.00 3.15 N ATOM 434 CA ILE A 28 -1.045 6.816 -7.004 1.00 34.21 C ATOM 435 C ILE A 28 -0.646 6.439 -8.439 1.00 62.15 C ATOM 436 O ILE A 28 -1.129 7.033 -9.411 1.00 70.12 O ATOM 437 CB ILE A 28 -2.573 6.593 -6.828 1.00 73.44 C ATOM 438 CG1 ILE A 28 -2.985 6.823 -5.364 1.00 45.10 C ATOM 439 CG2 ILE A 28 -2.970 5.186 -7.286 1.00 65.11 C ATOM 440 CD1 ILE A 28 -4.455 6.577 -5.092 1.00 51.13 C ATOM 0 H ILE A 28 -1.071 8.903 -7.287 1.00 3.15 H new ATOM 0 HA ILE A 28 -0.516 6.175 -6.298 1.00 34.21 H new ATOM 0 HB ILE A 28 -3.100 7.315 -7.451 1.00 73.44 H new ATOM 0 HG12 ILE A 28 -2.393 6.169 -4.724 1.00 45.10 H new ATOM 0 HG13 ILE A 28 -2.741 7.848 -5.085 1.00 45.10 H new ATOM 0 HG21 ILE A 28 -4.043 5.050 -7.155 1.00 65.11 H new ATOM 0 HG22 ILE A 28 -2.714 5.060 -8.338 1.00 65.11 H new ATOM 0 HG23 ILE A 28 -2.435 4.445 -6.692 1.00 65.11 H new ATOM 0 HD11 ILE A 28 -4.666 6.760 -4.038 1.00 51.13 H new ATOM 0 HD12 ILE A 28 -5.056 7.249 -5.705 1.00 51.13 H new ATOM 0 HD13 ILE A 28 -4.703 5.544 -5.337 1.00 51.13 H new ATOM 452 N SER A 29 0.246 5.459 -8.565 1.00 63.23 N ATOM 453 CA SER A 29 0.638 4.924 -9.874 1.00 53.03 C ATOM 454 C SER A 29 -0.360 3.859 -10.341 1.00 2.43 C ATOM 455 O SER A 29 -0.570 2.855 -9.659 1.00 20.50 O ATOM 456 CB SER A 29 2.052 4.324 -9.815 1.00 62.15 C ATOM 457 OG SER A 29 3.014 5.307 -9.462 1.00 63.44 O ATOM 0 H SER A 29 0.715 5.015 -7.775 1.00 63.23 H new ATOM 0 HA SER A 29 0.636 5.747 -10.589 1.00 53.03 H new ATOM 0 HB2 SER A 29 2.075 3.512 -9.088 1.00 62.15 H new ATOM 0 HB3 SER A 29 2.307 3.893 -10.783 1.00 62.15 H new ATOM 0 HG SER A 29 3.904 4.897 -9.430 1.00 63.44 H new ATOM 463 N SER A 30 -0.971 4.090 -11.504 1.00 43.30 N ATOM 464 CA SER A 30 -2.000 3.186 -12.055 1.00 13.13 C ATOM 465 C SER A 30 -1.532 1.719 -12.092 1.00 20.44 C ATOM 466 O SER A 30 -0.333 1.444 -12.217 1.00 60.30 O ATOM 467 CB SER A 30 -2.390 3.637 -13.472 1.00 64.55 C ATOM 468 OG SER A 30 -2.774 5.006 -13.495 1.00 53.14 O ATOM 0 H SER A 30 -0.774 4.900 -12.092 1.00 43.30 H new ATOM 0 HA SER A 30 -2.864 3.240 -11.393 1.00 13.13 H new ATOM 0 HB2 SER A 30 -1.550 3.482 -14.149 1.00 64.55 H new ATOM 0 HB3 SER A 30 -3.212 3.021 -13.838 1.00 64.55 H new ATOM 0 HG SER A 30 -3.014 5.263 -14.410 1.00 53.14 H new ATOM 474 N PRO A 31 -2.471 0.755 -11.992 1.00 2.34 N ATOM 475 CA PRO A 31 -2.138 -0.682 -11.998 1.00 22.12 C ATOM 476 C PRO A 31 -1.410 -1.126 -13.282 1.00 1.44 C ATOM 477 O PRO A 31 -1.915 -0.954 -14.392 1.00 52.45 O ATOM 478 CB PRO A 31 -3.512 -1.376 -11.876 1.00 1.55 C ATOM 479 CG PRO A 31 -4.504 -0.341 -12.301 1.00 13.24 C ATOM 480 CD PRO A 31 -3.926 0.979 -11.866 1.00 64.13 C ATOM 0 HA PRO A 31 -1.448 -0.936 -11.193 1.00 22.12 H new ATOM 0 HB2 PRO A 31 -3.566 -2.260 -12.512 1.00 1.55 H new ATOM 0 HB3 PRO A 31 -3.699 -1.706 -10.854 1.00 1.55 H new ATOM 0 HG2 PRO A 31 -4.657 -0.365 -13.380 1.00 13.24 H new ATOM 0 HG3 PRO A 31 -5.475 -0.515 -11.837 1.00 13.24 H new ATOM 0 HD2 PRO A 31 -4.266 1.798 -12.500 1.00 64.13 H new ATOM 0 HD3 PRO A 31 -4.210 1.228 -10.844 1.00 64.13 H new ATOM 488 N ARG A 32 -0.215 -1.689 -13.118 1.00 72.52 N ATOM 489 CA ARG A 32 0.583 -2.177 -14.244 1.00 31.12 C ATOM 490 C ARG A 32 0.331 -3.676 -14.466 1.00 20.30 C ATOM 491 O ARG A 32 0.500 -4.483 -13.550 1.00 34.20 O ATOM 492 CB ARG A 32 2.072 -1.924 -13.970 1.00 61.34 C ATOM 493 CG ARG A 32 2.974 -2.120 -15.184 1.00 5.24 C ATOM 494 CD ARG A 32 4.431 -1.819 -14.848 1.00 72.14 C ATOM 495 NE ARG A 32 5.261 -1.694 -16.042 1.00 21.30 N ATOM 496 CZ ARG A 32 6.538 -1.447 -16.016 1.00 34.44 C ATOM 497 NH1 ARG A 32 7.167 -1.344 -14.891 1.00 1.12 N ATOM 498 NH2 ARG A 32 7.190 -1.301 -17.122 1.00 53.30 N ATOM 0 H ARG A 32 0.227 -1.820 -12.208 1.00 72.52 H new ATOM 0 HA ARG A 32 0.290 -1.640 -15.146 1.00 31.12 H new ATOM 0 HB2 ARG A 32 2.194 -0.905 -13.602 1.00 61.34 H new ATOM 0 HB3 ARG A 32 2.402 -2.592 -13.175 1.00 61.34 H new ATOM 0 HG2 ARG A 32 2.886 -3.145 -15.543 1.00 5.24 H new ATOM 0 HG3 ARG A 32 2.644 -1.469 -15.994 1.00 5.24 H new ATOM 0 HD2 ARG A 32 4.485 -0.895 -14.272 1.00 72.14 H new ATOM 0 HD3 ARG A 32 4.827 -2.613 -14.215 1.00 72.14 H new ATOM 0 HE ARG A 32 4.813 -1.807 -16.951 1.00 21.30 H new ATOM 0 HH11 ARG A 32 6.662 -1.457 -14.012 1.00 1.12 H new ATOM 0 HH12 ARG A 32 8.168 -1.150 -14.882 1.00 1.12 H new ATOM 0 HH21 ARG A 32 6.703 -1.379 -18.015 1.00 53.30 H new ATOM 0 HH22 ARG A 32 8.191 -1.107 -17.102 1.00 53.30 H new ATOM 512 N THR A 33 -0.080 -4.041 -15.678 1.00 63.34 N ATOM 513 CA THR A 33 -0.436 -5.434 -15.987 1.00 22.43 C ATOM 514 C THR A 33 0.771 -6.232 -16.513 1.00 12.30 C ATOM 515 O THR A 33 1.392 -5.865 -17.516 1.00 10.41 O ATOM 516 CB THR A 33 -1.580 -5.503 -17.030 1.00 42.10 C ATOM 517 OG1 THR A 33 -2.647 -4.616 -16.655 1.00 44.23 O ATOM 518 CG2 THR A 33 -2.132 -6.919 -17.151 1.00 62.22 C ATOM 0 H THR A 33 -0.176 -3.398 -16.464 1.00 63.34 H new ATOM 0 HA THR A 33 -0.771 -5.881 -15.051 1.00 22.43 H new ATOM 0 HB THR A 33 -1.167 -5.202 -17.993 1.00 42.10 H new ATOM 0 HG1 THR A 33 -3.364 -4.666 -17.322 1.00 44.23 H new ATOM 0 HG21 THR A 33 -2.933 -6.935 -17.890 1.00 62.22 H new ATOM 0 HG22 THR A 33 -1.336 -7.594 -17.464 1.00 62.22 H new ATOM 0 HG23 THR A 33 -2.522 -7.241 -16.186 1.00 62.22 H new ATOM 526 N PHE A 34 1.088 -7.326 -15.828 1.00 31.41 N ATOM 527 CA PHE A 34 2.192 -8.214 -16.216 1.00 52.24 C ATOM 528 C PHE A 34 1.667 -9.618 -16.558 1.00 14.54 C ATOM 529 O PHE A 34 0.480 -9.892 -16.415 1.00 74.52 O ATOM 530 CB PHE A 34 3.238 -8.293 -15.090 1.00 1.23 C ATOM 531 CG PHE A 34 2.696 -8.797 -13.767 1.00 41.44 C ATOM 532 CD1 PHE A 34 2.586 -10.159 -13.515 1.00 62.21 C ATOM 533 CD2 PHE A 34 2.306 -7.906 -12.775 1.00 73.32 C ATOM 534 CE1 PHE A 34 2.096 -10.621 -12.307 1.00 34.12 C ATOM 535 CE2 PHE A 34 1.819 -8.364 -11.565 1.00 30.42 C ATOM 536 CZ PHE A 34 1.713 -9.722 -11.331 1.00 52.44 C ATOM 0 H PHE A 34 0.592 -7.626 -14.989 1.00 31.41 H new ATOM 0 HA PHE A 34 2.667 -7.800 -17.105 1.00 52.24 H new ATOM 0 HB2 PHE A 34 4.049 -8.947 -15.409 1.00 1.23 H new ATOM 0 HB3 PHE A 34 3.668 -7.303 -14.939 1.00 1.23 H new ATOM 0 HD1 PHE A 34 2.887 -10.867 -14.273 1.00 62.21 H new ATOM 0 HD2 PHE A 34 2.384 -6.843 -12.951 1.00 73.32 H new ATOM 0 HE1 PHE A 34 2.013 -11.683 -12.127 1.00 34.12 H new ATOM 0 HE2 PHE A 34 1.521 -7.660 -10.802 1.00 30.42 H new ATOM 0 HZ PHE A 34 1.331 -10.080 -10.386 1.00 52.44 H new ATOM 546 N THR A 35 2.551 -10.499 -17.026 1.00 11.12 N ATOM 547 CA THR A 35 2.168 -11.884 -17.350 1.00 74.43 C ATOM 548 C THR A 35 2.427 -12.835 -16.165 1.00 4.42 C ATOM 549 O THR A 35 3.575 -13.184 -15.874 1.00 41.13 O ATOM 550 CB THR A 35 2.930 -12.403 -18.598 1.00 53.52 C ATOM 551 OG1 THR A 35 2.678 -11.549 -19.730 1.00 70.54 O ATOM 552 CG2 THR A 35 2.519 -13.834 -18.944 1.00 25.33 C ATOM 0 H THR A 35 3.535 -10.285 -17.191 1.00 11.12 H new ATOM 0 HA THR A 35 1.099 -11.871 -17.564 1.00 74.43 H new ATOM 0 HB THR A 35 3.994 -12.393 -18.361 1.00 53.52 H new ATOM 0 HG1 THR A 35 3.166 -11.887 -20.510 1.00 70.54 H new ATOM 0 HG21 THR A 35 3.070 -14.169 -19.823 1.00 25.33 H new ATOM 0 HG22 THR A 35 2.743 -14.490 -18.103 1.00 25.33 H new ATOM 0 HG23 THR A 35 1.450 -13.865 -19.153 1.00 25.33 H new ATOM 560 N THR A 36 1.357 -13.248 -15.481 1.00 1.21 N ATOM 561 CA THR A 36 1.475 -14.157 -14.323 1.00 54.33 C ATOM 562 C THR A 36 1.601 -15.633 -14.758 1.00 34.43 C ATOM 563 O THR A 36 1.768 -15.928 -15.942 1.00 11.22 O ATOM 564 CB THR A 36 0.276 -14.005 -13.348 1.00 4.10 C ATOM 565 OG1 THR A 36 0.523 -14.725 -12.127 1.00 73.30 O ATOM 566 CG2 THR A 36 -1.015 -14.516 -13.971 1.00 42.42 C ATOM 0 H THR A 36 0.400 -12.972 -15.703 1.00 1.21 H new ATOM 0 HA THR A 36 2.389 -13.869 -13.803 1.00 54.33 H new ATOM 0 HB THR A 36 0.167 -12.942 -13.133 1.00 4.10 H new ATOM 0 HG1 THR A 36 1.474 -14.666 -11.899 1.00 73.30 H new ATOM 0 HG21 THR A 36 -1.834 -14.395 -13.262 1.00 42.42 H new ATOM 0 HG22 THR A 36 -1.232 -13.949 -14.876 1.00 42.42 H new ATOM 0 HG23 THR A 36 -0.905 -15.571 -14.222 1.00 42.42 H new ATOM 574 N ARG A 37 1.540 -16.550 -13.787 1.00 40.21 N ATOM 575 CA ARG A 37 1.728 -17.988 -14.034 1.00 64.12 C ATOM 576 C ARG A 37 0.681 -18.554 -15.024 1.00 53.22 C ATOM 577 O ARG A 37 1.037 -18.994 -16.121 1.00 74.52 O ATOM 578 CB ARG A 37 1.679 -18.748 -12.689 1.00 32.51 C ATOM 579 CG ARG A 37 2.419 -20.091 -12.671 1.00 65.22 C ATOM 580 CD ARG A 37 1.700 -21.187 -13.457 1.00 35.31 C ATOM 581 NE ARG A 37 0.367 -21.470 -12.925 1.00 12.23 N ATOM 582 CZ ARG A 37 -0.151 -22.668 -12.835 1.00 12.24 C ATOM 583 NH1 ARG A 37 0.531 -23.720 -13.159 1.00 55.25 N ATOM 584 NH2 ARG A 37 -1.355 -22.814 -12.401 1.00 52.03 N ATOM 0 H ARG A 37 1.360 -16.320 -12.810 1.00 40.21 H new ATOM 0 HA ARG A 37 2.704 -18.128 -14.499 1.00 64.12 H new ATOM 0 HB2 ARG A 37 2.100 -18.109 -11.913 1.00 32.51 H new ATOM 0 HB3 ARG A 37 0.636 -18.923 -12.426 1.00 32.51 H new ATOM 0 HG2 ARG A 37 3.418 -19.953 -13.084 1.00 65.22 H new ATOM 0 HG3 ARG A 37 2.543 -20.416 -11.638 1.00 65.22 H new ATOM 0 HD2 ARG A 37 1.615 -20.886 -14.501 1.00 35.31 H new ATOM 0 HD3 ARG A 37 2.298 -22.098 -13.435 1.00 35.31 H new ATOM 0 HE ARG A 37 -0.195 -20.682 -12.603 1.00 12.23 H new ATOM 0 HH11 ARG A 37 1.490 -23.623 -13.492 1.00 55.25 H new ATOM 0 HH12 ARG A 37 0.109 -24.645 -13.082 1.00 55.25 H new ATOM 0 HH21 ARG A 37 -1.902 -21.997 -12.129 1.00 52.03 H new ATOM 0 HH22 ARG A 37 -1.762 -23.747 -12.330 1.00 52.03 H new ATOM 598 N LYS A 38 -0.600 -18.556 -14.635 1.00 43.22 N ATOM 599 CA LYS A 38 -1.662 -19.125 -15.485 1.00 53.44 C ATOM 600 C LYS A 38 -3.071 -18.649 -15.070 1.00 10.04 C ATOM 601 O LYS A 38 -3.330 -18.366 -13.899 1.00 14.42 O ATOM 602 CB LYS A 38 -1.601 -20.660 -15.429 1.00 25.44 C ATOM 603 CG LYS A 38 -2.623 -21.357 -16.321 1.00 71.22 C ATOM 604 CD LYS A 38 -2.571 -22.875 -16.164 1.00 13.21 C ATOM 605 CE LYS A 38 -3.566 -23.574 -17.083 1.00 71.13 C ATOM 606 NZ LYS A 38 -3.266 -23.326 -18.518 1.00 72.35 N ATOM 0 H LYS A 38 -0.928 -18.175 -13.747 1.00 43.22 H new ATOM 0 HA LYS A 38 -1.486 -18.774 -16.502 1.00 53.44 H new ATOM 0 HB2 LYS A 38 -0.601 -20.984 -15.718 1.00 25.44 H new ATOM 0 HB3 LYS A 38 -1.755 -20.982 -14.399 1.00 25.44 H new ATOM 0 HG2 LYS A 38 -3.623 -21.000 -16.075 1.00 71.22 H new ATOM 0 HG3 LYS A 38 -2.437 -21.093 -17.362 1.00 71.22 H new ATOM 0 HD2 LYS A 38 -1.564 -23.229 -16.383 1.00 13.21 H new ATOM 0 HD3 LYS A 38 -2.784 -23.141 -15.129 1.00 13.21 H new ATOM 0 HE2 LYS A 38 -3.548 -24.646 -16.889 1.00 71.13 H new ATOM 0 HE3 LYS A 38 -4.574 -23.226 -16.858 1.00 71.13 H new ATOM 0 HZ1 LYS A 38 -3.829 -23.972 -19.107 1.00 72.35 H new ATOM 0 HZ2 LYS A 38 -3.504 -22.342 -18.757 1.00 72.35 H new ATOM 0 HZ3 LYS A 38 -2.254 -23.490 -18.695 1.00 72.35 H new ATOM 620 N GLY A 39 -3.980 -18.568 -16.044 1.00 31.13 N ATOM 621 CA GLY A 39 -5.375 -18.227 -15.763 1.00 62.33 C ATOM 622 C GLY A 39 -5.635 -16.726 -15.761 1.00 4.32 C ATOM 623 O GLY A 39 -6.331 -16.201 -16.634 1.00 35.32 O ATOM 0 H GLY A 39 -3.776 -18.733 -17.030 1.00 31.13 H new ATOM 0 HA2 GLY A 39 -6.015 -18.700 -16.508 1.00 62.33 H new ATOM 0 HA3 GLY A 39 -5.655 -18.639 -14.794 1.00 62.33 H new ATOM 627 N ARG A 40 -5.070 -16.035 -14.779 1.00 62.31 N ATOM 628 CA ARG A 40 -5.221 -14.581 -14.661 1.00 40.05 C ATOM 629 C ARG A 40 -4.179 -13.836 -15.494 1.00 55.04 C ATOM 630 O ARG A 40 -3.181 -14.411 -15.925 1.00 14.51 O ATOM 631 CB ARG A 40 -5.120 -14.137 -13.194 1.00 55.42 C ATOM 632 CG ARG A 40 -6.343 -14.498 -12.362 1.00 13.22 C ATOM 633 CD ARG A 40 -6.229 -13.995 -10.929 1.00 41.43 C ATOM 634 NE ARG A 40 -7.478 -14.165 -10.190 1.00 31.43 N ATOM 635 CZ ARG A 40 -7.595 -13.983 -8.903 1.00 4.22 C ATOM 636 NH1 ARG A 40 -6.558 -13.708 -8.181 1.00 11.04 N ATOM 637 NH2 ARG A 40 -8.746 -14.109 -8.334 1.00 52.34 N ATOM 0 H ARG A 40 -4.499 -16.456 -14.046 1.00 62.31 H new ATOM 0 HA ARG A 40 -6.210 -14.331 -15.044 1.00 40.05 H new ATOM 0 HB2 ARG A 40 -4.238 -14.593 -12.745 1.00 55.42 H new ATOM 0 HB3 ARG A 40 -4.973 -13.058 -13.159 1.00 55.42 H new ATOM 0 HG2 ARG A 40 -7.234 -14.074 -12.825 1.00 13.22 H new ATOM 0 HG3 ARG A 40 -6.471 -15.580 -12.357 1.00 13.22 H new ATOM 0 HD2 ARG A 40 -5.429 -14.532 -10.419 1.00 41.43 H new ATOM 0 HD3 ARG A 40 -5.952 -12.941 -10.935 1.00 41.43 H new ATOM 0 HE ARG A 40 -8.309 -14.443 -10.712 1.00 31.43 H new ATOM 0 HH11 ARG A 40 -5.639 -13.632 -8.617 1.00 11.04 H new ATOM 0 HH12 ARG A 40 -6.659 -13.567 -7.176 1.00 11.04 H new ATOM 0 HH21 ARG A 40 -9.566 -14.351 -8.890 1.00 52.34 H new ATOM 0 HH22 ARG A 40 -8.836 -13.966 -7.328 1.00 52.34 H new ATOM 651 N GLU A 41 -4.447 -12.565 -15.755 1.00 41.05 N ATOM 652 CA GLU A 41 -3.473 -11.690 -16.409 1.00 60.42 C ATOM 653 C GLU A 41 -2.319 -11.330 -15.448 1.00 31.55 C ATOM 654 O GLU A 41 -1.168 -11.689 -15.696 1.00 42.41 O ATOM 655 CB GLU A 41 -4.179 -10.425 -16.931 1.00 31.01 C ATOM 656 CG GLU A 41 -4.970 -9.670 -15.865 1.00 54.35 C ATOM 657 CD GLU A 41 -5.843 -8.570 -16.440 1.00 72.14 C ATOM 658 OE1 GLU A 41 -5.299 -7.536 -16.858 1.00 10.14 O ATOM 659 OE2 GLU A 41 -7.085 -8.727 -16.452 1.00 61.14 O ATOM 0 H GLU A 41 -5.331 -12.112 -15.525 1.00 41.05 H new ATOM 0 HA GLU A 41 -3.036 -12.220 -17.256 1.00 60.42 H new ATOM 0 HB2 GLU A 41 -3.433 -9.755 -17.358 1.00 31.01 H new ATOM 0 HB3 GLU A 41 -4.854 -10.706 -17.739 1.00 31.01 H new ATOM 0 HG2 GLU A 41 -5.597 -10.375 -15.319 1.00 54.35 H new ATOM 0 HG3 GLU A 41 -4.276 -9.236 -15.145 1.00 54.35 H new ATOM 666 N GLY A 42 -2.643 -10.672 -14.326 1.00 22.42 N ATOM 667 CA GLY A 42 -1.622 -10.218 -13.382 1.00 72.54 C ATOM 668 C GLY A 42 -1.453 -8.696 -13.365 1.00 34.30 C ATOM 669 O GLY A 42 -1.120 -8.094 -14.379 1.00 11.52 O ATOM 0 H GLY A 42 -3.600 -10.445 -14.054 1.00 22.42 H new ATOM 0 HA2 GLY A 42 -1.884 -10.560 -12.381 1.00 72.54 H new ATOM 0 HA3 GLY A 42 -0.669 -10.681 -13.637 1.00 72.54 H new ATOM 673 N LYS A 43 -1.686 -8.072 -12.209 1.00 2.43 N ATOM 674 CA LYS A 43 -1.509 -6.615 -12.045 1.00 33.34 C ATOM 675 C LYS A 43 -0.805 -6.256 -10.725 1.00 63.55 C ATOM 676 O LYS A 43 -0.873 -6.999 -9.743 1.00 15.25 O ATOM 677 CB LYS A 43 -2.856 -5.872 -12.095 1.00 51.01 C ATOM 678 CG LYS A 43 -3.507 -5.779 -13.477 1.00 51.02 C ATOM 679 CD LYS A 43 -4.764 -4.905 -13.425 1.00 22.50 C ATOM 680 CE LYS A 43 -5.121 -4.292 -14.776 1.00 31.44 C ATOM 681 NZ LYS A 43 -5.666 -5.289 -15.727 1.00 71.20 N ATOM 0 H LYS A 43 -2.000 -8.550 -11.364 1.00 2.43 H new ATOM 0 HA LYS A 43 -0.882 -6.299 -12.879 1.00 33.34 H new ATOM 0 HB2 LYS A 43 -3.551 -6.370 -11.418 1.00 51.01 H new ATOM 0 HB3 LYS A 43 -2.708 -4.862 -11.714 1.00 51.01 H new ATOM 0 HG2 LYS A 43 -2.797 -5.362 -14.192 1.00 51.02 H new ATOM 0 HG3 LYS A 43 -3.766 -6.777 -13.830 1.00 51.02 H new ATOM 0 HD2 LYS A 43 -5.603 -5.505 -13.072 1.00 22.50 H new ATOM 0 HD3 LYS A 43 -4.615 -4.107 -12.698 1.00 22.50 H new ATOM 0 HE2 LYS A 43 -5.853 -3.498 -14.629 1.00 31.44 H new ATOM 0 HE3 LYS A 43 -4.233 -3.831 -15.208 1.00 31.44 H new ATOM 0 HZ1 LYS A 43 -5.670 -4.888 -16.686 1.00 71.20 H new ATOM 0 HZ2 LYS A 43 -5.073 -6.144 -15.712 1.00 71.20 H new ATOM 0 HZ3 LYS A 43 -6.638 -5.537 -15.451 1.00 71.20 H new ATOM 695 N LEU A 44 -0.140 -5.098 -10.724 1.00 54.22 N ATOM 696 CA LEU A 44 0.466 -4.528 -9.513 1.00 12.33 C ATOM 697 C LEU A 44 0.266 -3.002 -9.486 1.00 72.13 C ATOM 698 O LEU A 44 0.187 -2.366 -10.534 1.00 13.33 O ATOM 699 CB LEU A 44 1.964 -4.897 -9.436 1.00 40.55 C ATOM 700 CG LEU A 44 2.841 -4.494 -10.649 1.00 23.21 C ATOM 701 CD1 LEU A 44 3.257 -3.022 -10.581 1.00 75.12 C ATOM 702 CD2 LEU A 44 4.074 -5.396 -10.746 1.00 72.43 C ATOM 0 H LEU A 44 -0.005 -4.528 -11.559 1.00 54.22 H new ATOM 0 HA LEU A 44 -0.028 -4.950 -8.638 1.00 12.33 H new ATOM 0 HB2 LEU A 44 2.384 -4.433 -8.543 1.00 40.55 H new ATOM 0 HB3 LEU A 44 2.043 -5.976 -9.302 1.00 40.55 H new ATOM 0 HG LEU A 44 2.239 -4.626 -11.548 1.00 23.21 H new ATOM 0 HD11 LEU A 44 3.870 -2.777 -11.448 1.00 75.12 H new ATOM 0 HD12 LEU A 44 2.367 -2.392 -10.576 1.00 75.12 H new ATOM 0 HD13 LEU A 44 3.830 -2.847 -9.670 1.00 75.12 H new ATOM 0 HD21 LEU A 44 4.677 -5.097 -11.604 1.00 72.43 H new ATOM 0 HD22 LEU A 44 4.666 -5.302 -9.836 1.00 72.43 H new ATOM 0 HD23 LEU A 44 3.758 -6.432 -10.868 1.00 72.43 H new ATOM 714 N ALA A 45 0.176 -2.415 -8.298 1.00 64.21 N ATOM 715 CA ALA A 45 -0.023 -0.964 -8.168 1.00 31.34 C ATOM 716 C ALA A 45 0.878 -0.361 -7.081 1.00 10.32 C ATOM 717 O ALA A 45 1.288 -1.049 -6.146 1.00 71.32 O ATOM 718 CB ALA A 45 -1.491 -0.656 -7.875 1.00 72.33 C ATOM 0 H ALA A 45 0.237 -2.913 -7.410 1.00 64.21 H new ATOM 0 HA ALA A 45 0.256 -0.505 -9.117 1.00 31.34 H new ATOM 0 HB1 ALA A 45 -1.625 0.422 -7.781 1.00 72.33 H new ATOM 0 HB2 ALA A 45 -2.111 -1.029 -8.690 1.00 72.33 H new ATOM 0 HB3 ALA A 45 -1.786 -1.141 -6.944 1.00 72.33 H new ATOM 724 N ASN A 46 1.180 0.931 -7.209 1.00 33.13 N ATOM 725 CA ASN A 46 2.043 1.628 -6.244 1.00 11.42 C ATOM 726 C ASN A 46 1.360 2.888 -5.697 1.00 73.41 C ATOM 727 O ASN A 46 1.149 3.859 -6.424 1.00 13.04 O ATOM 728 CB ASN A 46 3.379 2.017 -6.894 1.00 45.40 C ATOM 729 CG ASN A 46 4.173 0.812 -7.359 1.00 12.51 C ATOM 730 OD1 ASN A 46 4.966 0.250 -6.614 1.00 24.22 O ATOM 731 ND2 ASN A 46 3.978 0.413 -8.600 1.00 11.40 N ATOM 0 H ASN A 46 0.842 1.520 -7.970 1.00 33.13 H new ATOM 0 HA ASN A 46 2.228 0.942 -5.418 1.00 11.42 H new ATOM 0 HB2 ASN A 46 3.188 2.672 -7.744 1.00 45.40 H new ATOM 0 HB3 ASN A 46 3.974 2.586 -6.180 1.00 45.40 H new ATOM 0 HD21 ASN A 46 4.495 -0.386 -8.966 1.00 11.40 H new ATOM 0 HD22 ASN A 46 3.310 0.904 -9.194 1.00 11.40 H new ATOM 738 N VAL A 47 1.012 2.867 -4.414 1.00 54.32 N ATOM 739 CA VAL A 47 0.408 4.029 -3.752 1.00 23.23 C ATOM 740 C VAL A 47 1.400 4.684 -2.778 1.00 1.42 C ATOM 741 O VAL A 47 1.858 4.055 -1.823 1.00 63.13 O ATOM 742 CB VAL A 47 -0.886 3.640 -2.986 1.00 53.02 C ATOM 743 CG1 VAL A 47 -1.488 4.849 -2.265 1.00 51.41 C ATOM 744 CG2 VAL A 47 -1.904 3.011 -3.936 1.00 31.05 C ATOM 0 H VAL A 47 1.137 2.057 -3.806 1.00 54.32 H new ATOM 0 HA VAL A 47 0.149 4.742 -4.534 1.00 23.23 H new ATOM 0 HB VAL A 47 -0.620 2.902 -2.229 1.00 53.02 H new ATOM 0 HG11 VAL A 47 -2.392 4.545 -1.738 1.00 51.41 H new ATOM 0 HG12 VAL A 47 -0.766 5.243 -1.549 1.00 51.41 H new ATOM 0 HG13 VAL A 47 -1.735 5.621 -2.994 1.00 51.41 H new ATOM 0 HG21 VAL A 47 -2.804 2.745 -3.381 1.00 31.05 H new ATOM 0 HG22 VAL A 47 -2.159 3.724 -4.720 1.00 31.05 H new ATOM 0 HG23 VAL A 47 -1.477 2.115 -4.385 1.00 31.05 H new ATOM 754 N ILE A 48 1.728 5.945 -3.030 1.00 43.34 N ATOM 755 CA ILE A 48 2.669 6.689 -2.189 1.00 61.50 C ATOM 756 C ILE A 48 1.930 7.476 -1.096 1.00 64.54 C ATOM 757 O ILE A 48 1.302 8.508 -1.363 1.00 1.45 O ATOM 758 CB ILE A 48 3.526 7.671 -3.036 1.00 4.55 C ATOM 759 CG1 ILE A 48 4.266 6.917 -4.160 1.00 44.02 C ATOM 760 CG2 ILE A 48 4.521 8.426 -2.152 1.00 44.25 C ATOM 761 CD1 ILE A 48 5.233 5.860 -3.667 1.00 61.22 C ATOM 0 H ILE A 48 1.356 6.480 -3.814 1.00 43.34 H new ATOM 0 HA ILE A 48 3.327 5.957 -1.720 1.00 61.50 H new ATOM 0 HB ILE A 48 2.855 8.398 -3.493 1.00 4.55 H new ATOM 0 HG12 ILE A 48 3.530 6.445 -4.811 1.00 44.02 H new ATOM 0 HG13 ILE A 48 4.813 7.638 -4.767 1.00 44.02 H new ATOM 0 HG21 ILE A 48 5.110 9.107 -2.767 1.00 44.25 H new ATOM 0 HG22 ILE A 48 3.978 8.995 -1.397 1.00 44.25 H new ATOM 0 HG23 ILE A 48 5.185 7.714 -1.662 1.00 44.25 H new ATOM 0 HD11 ILE A 48 5.711 5.378 -4.520 1.00 61.22 H new ATOM 0 HD12 ILE A 48 5.994 6.326 -3.041 1.00 61.22 H new ATOM 0 HD13 ILE A 48 4.691 5.114 -3.085 1.00 61.22 H new ATOM 773 N ILE A 49 1.999 6.974 0.134 1.00 53.41 N ATOM 774 CA ILE A 49 1.352 7.622 1.279 1.00 13.31 C ATOM 775 C ILE A 49 2.392 8.298 2.182 1.00 15.31 C ATOM 776 O ILE A 49 3.452 7.738 2.448 1.00 74.42 O ATOM 777 CB ILE A 49 0.534 6.600 2.114 1.00 73.11 C ATOM 778 CG1 ILE A 49 1.438 5.466 2.633 1.00 73.13 C ATOM 779 CG2 ILE A 49 -0.614 6.033 1.283 1.00 11.02 C ATOM 780 CD1 ILE A 49 0.719 4.457 3.508 1.00 52.14 C ATOM 0 H ILE A 49 2.499 6.116 0.367 1.00 53.41 H new ATOM 0 HA ILE A 49 0.673 8.378 0.883 1.00 13.31 H new ATOM 0 HB ILE A 49 0.116 7.120 2.976 1.00 73.11 H new ATOM 0 HG12 ILE A 49 1.877 4.946 1.781 1.00 73.13 H new ATOM 0 HG13 ILE A 49 2.261 5.902 3.199 1.00 73.13 H new ATOM 0 HG21 ILE A 49 -1.178 5.318 1.882 1.00 11.02 H new ATOM 0 HG22 ILE A 49 -1.272 6.844 0.971 1.00 11.02 H new ATOM 0 HG23 ILE A 49 -0.213 5.532 0.402 1.00 11.02 H new ATOM 0 HD11 ILE A 49 1.423 3.691 3.833 1.00 52.14 H new ATOM 0 HD12 ILE A 49 0.304 4.962 4.380 1.00 52.14 H new ATOM 0 HD13 ILE A 49 -0.087 3.992 2.940 1.00 52.14 H new ATOM 792 N ALA A 50 2.092 9.505 2.653 1.00 1.13 N ATOM 793 CA ALA A 50 3.026 10.243 3.507 1.00 53.14 C ATOM 794 C ALA A 50 2.406 10.620 4.857 1.00 71.33 C ATOM 795 O ALA A 50 1.363 11.272 4.923 1.00 25.43 O ATOM 796 CB ALA A 50 3.534 11.488 2.787 1.00 30.44 C ATOM 0 H ALA A 50 1.217 9.993 2.461 1.00 1.13 H new ATOM 0 HA ALA A 50 3.867 9.581 3.714 1.00 53.14 H new ATOM 0 HB1 ALA A 50 4.227 12.026 3.434 1.00 30.44 H new ATOM 0 HB2 ALA A 50 4.047 11.195 1.871 1.00 30.44 H new ATOM 0 HB3 ALA A 50 2.692 12.135 2.540 1.00 30.44 H new ATOM 802 N ASP A 51 3.061 10.190 5.928 1.00 32.54 N ATOM 803 CA ASP A 51 2.678 10.561 7.288 1.00 12.33 C ATOM 804 C ASP A 51 3.715 11.530 7.883 1.00 31.31 C ATOM 805 O ASP A 51 4.797 11.718 7.318 1.00 54.11 O ATOM 806 CB ASP A 51 2.549 9.300 8.154 1.00 12.51 C ATOM 807 CG ASP A 51 2.180 9.617 9.593 1.00 44.51 C ATOM 808 OD1 ASP A 51 1.036 10.046 9.834 1.00 34.41 O ATOM 809 OD2 ASP A 51 3.046 9.474 10.483 1.00 74.51 O ATOM 0 H ASP A 51 3.873 9.574 5.880 1.00 32.54 H new ATOM 0 HA ASP A 51 1.712 11.066 7.266 1.00 12.33 H new ATOM 0 HB2 ASP A 51 1.792 8.644 7.724 1.00 12.51 H new ATOM 0 HB3 ASP A 51 3.492 8.753 8.136 1.00 12.51 H new ATOM 814 N ASP A 52 3.390 12.140 9.019 1.00 0.15 N ATOM 815 CA ASP A 52 4.292 13.097 9.665 1.00 53.44 C ATOM 816 C ASP A 52 5.590 12.428 10.156 1.00 31.02 C ATOM 817 O ASP A 52 6.606 13.100 10.353 1.00 10.12 O ATOM 818 CB ASP A 52 3.572 13.785 10.824 1.00 53.43 C ATOM 819 CG ASP A 52 2.281 14.436 10.369 1.00 72.32 C ATOM 820 OD1 ASP A 52 2.344 15.425 9.613 1.00 71.42 O ATOM 821 OD2 ASP A 52 1.197 13.942 10.730 1.00 2.14 O ATOM 0 H ASP A 52 2.510 11.991 9.513 1.00 0.15 H new ATOM 0 HA ASP A 52 4.577 13.841 8.922 1.00 53.44 H new ATOM 0 HB2 ASP A 52 3.357 13.055 11.605 1.00 53.43 H new ATOM 0 HB3 ASP A 52 4.225 14.539 11.263 1.00 53.43 H new ATOM 826 N THR A 53 5.552 11.110 10.355 1.00 25.41 N ATOM 827 CA THR A 53 6.749 10.345 10.748 1.00 55.13 C ATOM 828 C THR A 53 7.567 9.895 9.527 1.00 55.40 C ATOM 829 O THR A 53 8.704 9.438 9.664 1.00 1.23 O ATOM 830 CB THR A 53 6.389 9.085 11.579 1.00 70.00 C ATOM 831 OG1 THR A 53 5.562 8.196 10.809 1.00 21.42 O ATOM 832 CG2 THR A 53 5.674 9.461 12.873 1.00 22.32 C ATOM 0 H THR A 53 4.709 10.545 10.252 1.00 25.41 H new ATOM 0 HA THR A 53 7.343 11.025 11.358 1.00 55.13 H new ATOM 0 HB THR A 53 7.321 8.580 11.835 1.00 70.00 H new ATOM 0 HG1 THR A 53 4.675 8.596 10.689 1.00 21.42 H new ATOM 0 HG21 THR A 53 5.435 8.557 13.433 1.00 22.32 H new ATOM 0 HG22 THR A 53 6.321 10.099 13.474 1.00 22.32 H new ATOM 0 HG23 THR A 53 4.754 9.996 12.638 1.00 22.32 H new ATOM 840 N GLY A 54 6.986 10.029 8.333 1.00 24.40 N ATOM 841 CA GLY A 54 7.652 9.580 7.110 1.00 75.25 C ATOM 842 C GLY A 54 6.669 9.081 6.053 1.00 4.14 C ATOM 843 O GLY A 54 5.490 8.890 6.341 1.00 3.04 O ATOM 0 H GLY A 54 6.064 10.441 8.188 1.00 24.40 H new ATOM 0 HA2 GLY A 54 8.237 10.402 6.697 1.00 75.25 H new ATOM 0 HA3 GLY A 54 8.352 8.781 7.355 1.00 75.25 H new ATOM 847 N GLU A 55 7.143 8.882 4.822 1.00 11.40 N ATOM 848 CA GLU A 55 6.285 8.375 3.735 1.00 72.35 C ATOM 849 C GLU A 55 6.728 6.984 3.247 1.00 23.32 C ATOM 850 O GLU A 55 7.895 6.602 3.373 1.00 43.12 O ATOM 851 CB GLU A 55 6.245 9.374 2.570 1.00 3.40 C ATOM 852 CG GLU A 55 7.607 9.828 2.078 1.00 75.14 C ATOM 853 CD GLU A 55 7.504 10.852 0.960 1.00 31.12 C ATOM 854 OE1 GLU A 55 7.147 10.469 -0.173 1.00 42.14 O ATOM 855 OE2 GLU A 55 7.777 12.048 1.210 1.00 33.22 O ATOM 0 H GLU A 55 8.109 9.061 4.548 1.00 11.40 H new ATOM 0 HA GLU A 55 5.279 8.267 4.139 1.00 72.35 H new ATOM 0 HB2 GLU A 55 5.706 8.920 1.738 1.00 3.40 H new ATOM 0 HB3 GLU A 55 5.675 10.250 2.880 1.00 3.40 H new ATOM 0 HG2 GLU A 55 8.167 10.256 2.909 1.00 75.14 H new ATOM 0 HG3 GLU A 55 8.170 8.964 1.726 1.00 75.14 H new ATOM 862 N LEU A 56 5.781 6.232 2.684 1.00 51.54 N ATOM 863 CA LEU A 56 6.012 4.830 2.311 1.00 22.04 C ATOM 864 C LEU A 56 5.444 4.499 0.918 1.00 22.24 C ATOM 865 O LEU A 56 4.452 5.087 0.477 1.00 61.45 O ATOM 866 CB LEU A 56 5.356 3.912 3.357 1.00 25.23 C ATOM 867 CG LEU A 56 5.551 2.403 3.134 1.00 2.01 C ATOM 868 CD1 LEU A 56 7.011 2.009 3.328 1.00 34.05 C ATOM 869 CD2 LEU A 56 4.641 1.597 4.055 1.00 62.54 C ATOM 0 H LEU A 56 4.842 6.570 2.474 1.00 51.54 H new ATOM 0 HA LEU A 56 7.089 4.668 2.278 1.00 22.04 H new ATOM 0 HB2 LEU A 56 5.752 4.170 4.339 1.00 25.23 H new ATOM 0 HB3 LEU A 56 4.287 4.122 3.379 1.00 25.23 H new ATOM 0 HG LEU A 56 5.276 2.175 2.104 1.00 2.01 H new ATOM 0 HD11 LEU A 56 7.123 0.937 3.165 1.00 34.05 H new ATOM 0 HD12 LEU A 56 7.632 2.552 2.615 1.00 34.05 H new ATOM 0 HD13 LEU A 56 7.323 2.256 4.343 1.00 34.05 H new ATOM 0 HD21 LEU A 56 4.796 0.533 3.879 1.00 62.54 H new ATOM 0 HD22 LEU A 56 4.875 1.831 5.094 1.00 62.54 H new ATOM 0 HD23 LEU A 56 3.601 1.850 3.851 1.00 62.54 H new ATOM 881 N ARG A 57 6.083 3.545 0.237 1.00 52.45 N ATOM 882 CA ARG A 57 5.574 3.009 -1.033 1.00 34.53 C ATOM 883 C ARG A 57 4.728 1.742 -0.789 1.00 64.45 C ATOM 884 O ARG A 57 5.265 0.677 -0.488 1.00 14.35 O ATOM 885 CB ARG A 57 6.745 2.663 -1.967 1.00 1.21 C ATOM 886 CG ARG A 57 6.315 2.212 -3.361 1.00 53.31 C ATOM 887 CD ARG A 57 7.449 1.529 -4.121 1.00 23.11 C ATOM 888 NE ARG A 57 8.680 2.320 -4.140 1.00 22.23 N ATOM 889 CZ ARG A 57 9.751 1.985 -4.811 1.00 22.33 C ATOM 890 NH1 ARG A 57 9.749 0.940 -5.577 1.00 2.10 N ATOM 891 NH2 ARG A 57 10.821 2.704 -4.720 1.00 63.14 N ATOM 0 H ARG A 57 6.960 3.124 0.544 1.00 52.45 H new ATOM 0 HA ARG A 57 4.948 3.771 -1.497 1.00 34.53 H new ATOM 0 HB2 ARG A 57 7.391 3.536 -2.062 1.00 1.21 H new ATOM 0 HB3 ARG A 57 7.341 1.874 -1.509 1.00 1.21 H new ATOM 0 HG2 ARG A 57 5.472 1.526 -3.275 1.00 53.31 H new ATOM 0 HG3 ARG A 57 5.967 3.075 -3.929 1.00 53.31 H new ATOM 0 HD2 ARG A 57 7.653 0.560 -3.665 1.00 23.11 H new ATOM 0 HD3 ARG A 57 7.130 1.339 -5.146 1.00 23.11 H new ATOM 0 HE ARG A 57 8.704 3.184 -3.598 1.00 22.23 H new ATOM 0 HH11 ARG A 57 8.907 0.371 -5.661 1.00 2.10 H new ATOM 0 HH12 ARG A 57 10.590 0.687 -6.096 1.00 2.10 H new ATOM 0 HH21 ARG A 57 10.830 3.532 -4.125 1.00 63.14 H new ATOM 0 HH22 ARG A 57 11.657 2.443 -5.243 1.00 63.14 H new ATOM 905 N ALA A 58 3.411 1.868 -0.904 1.00 62.30 N ATOM 906 CA ALA A 58 2.505 0.727 -0.714 1.00 42.43 C ATOM 907 C ALA A 58 2.265 -0.028 -2.034 1.00 35.41 C ATOM 908 O ALA A 58 1.772 0.547 -3.004 1.00 52.31 O ATOM 909 CB ALA A 58 1.182 1.202 -0.122 1.00 70.53 C ATOM 0 H ALA A 58 2.941 2.745 -1.127 1.00 62.30 H new ATOM 0 HA ALA A 58 2.977 0.033 -0.019 1.00 42.43 H new ATOM 0 HB1 ALA A 58 0.518 0.349 0.015 1.00 70.53 H new ATOM 0 HB2 ALA A 58 1.365 1.678 0.841 1.00 70.53 H new ATOM 0 HB3 ALA A 58 0.717 1.919 -0.799 1.00 70.53 H new ATOM 915 N VAL A 59 2.611 -1.314 -2.062 1.00 41.03 N ATOM 916 CA VAL A 59 2.466 -2.135 -3.275 1.00 52.41 C ATOM 917 C VAL A 59 1.164 -2.961 -3.257 1.00 4.32 C ATOM 918 O VAL A 59 1.040 -3.940 -2.515 1.00 62.43 O ATOM 919 CB VAL A 59 3.675 -3.091 -3.455 1.00 32.14 C ATOM 920 CG1 VAL A 59 3.556 -3.888 -4.758 1.00 51.25 C ATOM 921 CG2 VAL A 59 4.990 -2.314 -3.408 1.00 21.41 C ATOM 0 H VAL A 59 2.995 -1.815 -1.261 1.00 41.03 H new ATOM 0 HA VAL A 59 2.427 -1.442 -4.115 1.00 52.41 H new ATOM 0 HB VAL A 59 3.671 -3.801 -2.628 1.00 32.14 H new ATOM 0 HG11 VAL A 59 4.416 -4.550 -4.859 1.00 51.25 H new ATOM 0 HG12 VAL A 59 2.642 -4.481 -4.740 1.00 51.25 H new ATOM 0 HG13 VAL A 59 3.526 -3.201 -5.603 1.00 51.25 H new ATOM 0 HG21 VAL A 59 5.825 -3.003 -3.536 1.00 21.41 H new ATOM 0 HG22 VAL A 59 5.004 -1.574 -4.208 1.00 21.41 H new ATOM 0 HG23 VAL A 59 5.080 -1.810 -2.446 1.00 21.41 H new ATOM 931 N PHE A 60 0.197 -2.558 -4.081 1.00 50.33 N ATOM 932 CA PHE A 60 -1.081 -3.272 -4.201 1.00 42.32 C ATOM 933 C PHE A 60 -1.049 -4.299 -5.347 1.00 45.20 C ATOM 934 O PHE A 60 -1.109 -3.938 -6.521 1.00 15.10 O ATOM 935 CB PHE A 60 -2.232 -2.279 -4.432 1.00 34.24 C ATOM 936 CG PHE A 60 -2.613 -1.474 -3.212 1.00 35.33 C ATOM 937 CD1 PHE A 60 -1.762 -0.502 -2.704 1.00 12.43 C ATOM 938 CD2 PHE A 60 -3.832 -1.685 -2.579 1.00 53.40 C ATOM 939 CE1 PHE A 60 -2.119 0.242 -1.593 1.00 54.33 C ATOM 940 CE2 PHE A 60 -4.193 -0.947 -1.468 1.00 11.50 C ATOM 941 CZ PHE A 60 -3.336 0.018 -0.974 1.00 33.24 C ATOM 0 H PHE A 60 0.272 -1.736 -4.680 1.00 50.33 H new ATOM 0 HA PHE A 60 -1.245 -3.807 -3.265 1.00 42.32 H new ATOM 0 HB2 PHE A 60 -1.950 -1.594 -5.231 1.00 34.24 H new ATOM 0 HB3 PHE A 60 -3.107 -2.829 -4.778 1.00 34.24 H new ATOM 0 HD1 PHE A 60 -0.810 -0.324 -3.182 1.00 12.43 H new ATOM 0 HD2 PHE A 60 -4.507 -2.437 -2.961 1.00 53.40 H new ATOM 0 HE1 PHE A 60 -1.448 0.997 -1.210 1.00 54.33 H new ATOM 0 HE2 PHE A 60 -5.143 -1.124 -0.986 1.00 11.50 H new ATOM 0 HZ PHE A 60 -3.616 0.597 -0.106 1.00 33.24 H new ATOM 951 N TRP A 61 -0.945 -5.574 -4.995 1.00 41.43 N ATOM 952 CA TRP A 61 -0.975 -6.670 -5.974 1.00 53.04 C ATOM 953 C TRP A 61 -2.408 -6.953 -6.464 1.00 1.40 C ATOM 954 O TRP A 61 -3.375 -6.490 -5.869 1.00 31.41 O ATOM 955 CB TRP A 61 -0.336 -7.929 -5.379 1.00 54.53 C ATOM 956 CG TRP A 61 1.136 -7.764 -5.121 1.00 53.04 C ATOM 957 CD1 TRP A 61 1.742 -7.500 -3.924 1.00 1.44 C ATOM 958 CD2 TRP A 61 2.184 -7.822 -6.096 1.00 24.55 C ATOM 959 NE1 TRP A 61 3.102 -7.405 -4.099 1.00 31.25 N ATOM 960 CE2 TRP A 61 3.397 -7.599 -5.421 1.00 62.24 C ATOM 961 CE3 TRP A 61 2.213 -8.050 -7.477 1.00 0.30 C ATOM 962 CZ2 TRP A 61 4.625 -7.592 -6.079 1.00 25.34 C ATOM 963 CZ3 TRP A 61 3.433 -8.044 -8.128 1.00 43.04 C ATOM 964 CH2 TRP A 61 4.624 -7.815 -7.429 1.00 71.34 C ATOM 0 H TRP A 61 -0.838 -5.884 -4.029 1.00 41.43 H new ATOM 0 HA TRP A 61 -0.393 -6.363 -6.843 1.00 53.04 H new ATOM 0 HB2 TRP A 61 -0.839 -8.180 -4.445 1.00 54.53 H new ATOM 0 HB3 TRP A 61 -0.490 -8.766 -6.059 1.00 54.53 H new ATOM 0 HD1 TRP A 61 1.228 -7.383 -2.981 1.00 1.44 H new ATOM 0 HE1 TRP A 61 3.782 -7.220 -3.362 1.00 31.25 H new ATOM 0 HE3 TRP A 61 1.299 -8.227 -8.024 1.00 0.30 H new ATOM 0 HZ2 TRP A 61 5.546 -7.417 -5.542 1.00 25.34 H new ATOM 0 HZ3 TRP A 61 3.468 -8.219 -9.193 1.00 43.04 H new ATOM 0 HH2 TRP A 61 5.561 -7.814 -7.966 1.00 71.34 H new ATOM 975 N THR A 62 -2.529 -7.666 -7.587 1.00 42.42 N ATOM 976 CA THR A 62 -3.842 -7.987 -8.194 1.00 61.14 C ATOM 977 C THR A 62 -4.906 -8.453 -7.173 1.00 50.32 C ATOM 978 O THR A 62 -6.103 -8.264 -7.394 1.00 5.21 O ATOM 979 CB THR A 62 -3.709 -9.064 -9.298 1.00 45.13 C ATOM 980 OG1 THR A 62 -4.979 -9.304 -9.928 1.00 1.22 O ATOM 981 CG2 THR A 62 -3.166 -10.376 -8.737 1.00 2.12 C ATOM 0 H THR A 62 -1.733 -8.038 -8.104 1.00 42.42 H new ATOM 0 HA THR A 62 -4.185 -7.046 -8.624 1.00 61.14 H new ATOM 0 HB THR A 62 -3.003 -8.684 -10.037 1.00 45.13 H new ATOM 0 HG1 THR A 62 -4.875 -9.986 -10.624 1.00 1.22 H new ATOM 0 HG21 THR A 62 -3.086 -11.109 -9.539 1.00 2.12 H new ATOM 0 HG22 THR A 62 -2.182 -10.206 -8.301 1.00 2.12 H new ATOM 0 HG23 THR A 62 -3.843 -10.751 -7.969 1.00 2.12 H new ATOM 989 N GLU A 63 -4.479 -9.067 -6.070 1.00 2.24 N ATOM 990 CA GLU A 63 -5.410 -9.496 -5.010 1.00 24.33 C ATOM 991 C GLU A 63 -5.897 -8.309 -4.153 1.00 34.41 C ATOM 992 O GLU A 63 -6.990 -8.341 -3.593 1.00 64.23 O ATOM 993 CB GLU A 63 -4.746 -10.559 -4.118 1.00 33.20 C ATOM 994 CG GLU A 63 -4.502 -11.898 -4.817 1.00 72.13 C ATOM 995 CD GLU A 63 -5.786 -12.675 -5.100 1.00 53.32 C ATOM 996 OE1 GLU A 63 -6.596 -12.223 -5.935 1.00 61.35 O ATOM 997 OE2 GLU A 63 -5.987 -13.752 -4.495 1.00 31.15 O ATOM 0 H GLU A 63 -3.500 -9.281 -5.881 1.00 2.24 H new ATOM 0 HA GLU A 63 -6.284 -9.928 -5.497 1.00 24.33 H new ATOM 0 HB2 GLU A 63 -3.794 -10.171 -3.757 1.00 33.20 H new ATOM 0 HB3 GLU A 63 -5.374 -10.727 -3.243 1.00 33.20 H new ATOM 0 HG2 GLU A 63 -3.979 -11.719 -5.757 1.00 72.13 H new ATOM 0 HG3 GLU A 63 -3.845 -12.509 -4.198 1.00 72.13 H new ATOM 1004 N ASN A 64 -5.077 -7.267 -4.057 1.00 24.11 N ATOM 1005 CA ASN A 64 -5.400 -6.077 -3.254 1.00 73.10 C ATOM 1006 C ASN A 64 -6.029 -4.944 -4.086 1.00 34.13 C ATOM 1007 O ASN A 64 -6.446 -3.931 -3.530 1.00 22.51 O ATOM 1008 CB ASN A 64 -4.137 -5.562 -2.562 1.00 31.23 C ATOM 1009 CG ASN A 64 -3.546 -6.591 -1.627 1.00 75.41 C ATOM 1010 OD1 ASN A 64 -2.703 -7.387 -2.014 1.00 53.11 O ATOM 1011 ND2 ASN A 64 -3.997 -6.593 -0.390 1.00 21.14 N ATOM 0 H ASN A 64 -4.174 -7.217 -4.528 1.00 24.11 H new ATOM 0 HA ASN A 64 -6.141 -6.384 -2.516 1.00 73.10 H new ATOM 0 HB2 ASN A 64 -3.397 -5.288 -3.314 1.00 31.23 H new ATOM 0 HB3 ASN A 64 -4.373 -4.657 -2.003 1.00 31.23 H new ATOM 0 HD21 ASN A 64 -3.642 -7.274 0.281 1.00 21.14 H new ATOM 0 HD22 ASN A 64 -4.701 -5.913 -0.103 1.00 21.14 H new ATOM 1018 N ILE A 65 -6.095 -5.105 -5.409 1.00 73.10 N ATOM 1019 CA ILE A 65 -6.705 -4.083 -6.280 1.00 21.53 C ATOM 1020 C ILE A 65 -8.148 -3.754 -5.842 1.00 45.24 C ATOM 1021 O ILE A 65 -8.597 -2.610 -5.939 1.00 13.23 O ATOM 1022 CB ILE A 65 -6.699 -4.528 -7.768 1.00 40.14 C ATOM 1023 CG1 ILE A 65 -5.259 -4.764 -8.258 1.00 21.12 C ATOM 1024 CG2 ILE A 65 -7.405 -3.499 -8.656 1.00 41.34 C ATOM 1025 CD1 ILE A 65 -4.370 -3.537 -8.201 1.00 71.03 C ATOM 0 H ILE A 65 -5.739 -5.923 -5.903 1.00 73.10 H new ATOM 0 HA ILE A 65 -6.098 -3.183 -6.182 1.00 21.53 H new ATOM 0 HB ILE A 65 -7.248 -5.467 -7.838 1.00 40.14 H new ATOM 0 HG12 ILE A 65 -4.808 -5.553 -7.656 1.00 21.12 H new ATOM 0 HG13 ILE A 65 -5.292 -5.126 -9.285 1.00 21.12 H new ATOM 0 HG21 ILE A 65 -7.385 -3.838 -9.692 1.00 41.34 H new ATOM 0 HG22 ILE A 65 -8.439 -3.387 -8.331 1.00 41.34 H new ATOM 0 HG23 ILE A 65 -6.894 -2.539 -8.578 1.00 41.34 H new ATOM 0 HD11 ILE A 65 -3.374 -3.792 -8.564 1.00 71.03 H new ATOM 0 HD12 ILE A 65 -4.794 -2.751 -8.826 1.00 71.03 H new ATOM 0 HD13 ILE A 65 -4.302 -3.185 -7.172 1.00 71.03 H new ATOM 1037 N LYS A 66 -8.855 -4.763 -5.332 1.00 55.14 N ATOM 1038 CA LYS A 66 -10.227 -4.595 -4.826 1.00 11.41 C ATOM 1039 C LYS A 66 -10.312 -3.563 -3.684 1.00 51.11 C ATOM 1040 O LYS A 66 -11.394 -3.070 -3.357 1.00 21.21 O ATOM 1041 CB LYS A 66 -10.774 -5.950 -4.349 1.00 23.30 C ATOM 1042 CG LYS A 66 -9.922 -6.621 -3.268 1.00 43.52 C ATOM 1043 CD LYS A 66 -10.481 -7.989 -2.879 1.00 32.55 C ATOM 1044 CE LYS A 66 -9.575 -8.732 -1.897 1.00 43.10 C ATOM 1045 NZ LYS A 66 -9.439 -8.022 -0.597 1.00 61.33 N ATOM 0 H LYS A 66 -8.500 -5.716 -5.256 1.00 55.14 H new ATOM 0 HA LYS A 66 -10.833 -4.216 -5.649 1.00 11.41 H new ATOM 0 HB2 LYS A 66 -11.784 -5.807 -3.964 1.00 23.30 H new ATOM 0 HB3 LYS A 66 -10.851 -6.621 -5.205 1.00 23.30 H new ATOM 0 HG2 LYS A 66 -8.899 -6.734 -3.628 1.00 43.52 H new ATOM 0 HG3 LYS A 66 -9.881 -5.980 -2.387 1.00 43.52 H new ATOM 0 HD2 LYS A 66 -11.468 -7.862 -2.434 1.00 32.55 H new ATOM 0 HD3 LYS A 66 -10.612 -8.593 -3.777 1.00 32.55 H new ATOM 0 HE2 LYS A 66 -9.976 -9.730 -1.722 1.00 43.10 H new ATOM 0 HE3 LYS A 66 -8.588 -8.859 -2.343 1.00 43.10 H new ATOM 0 HZ1 LYS A 66 -8.843 -8.583 0.044 1.00 61.33 H new ATOM 0 HZ2 LYS A 66 -9.000 -7.092 -0.753 1.00 61.33 H new ATOM 0 HZ3 LYS A 66 -10.379 -7.893 -0.172 1.00 61.33 H new ATOM 1059 N LEU A 67 -9.169 -3.246 -3.076 1.00 73.31 N ATOM 1060 CA LEU A 67 -9.105 -2.261 -1.990 1.00 62.23 C ATOM 1061 C LEU A 67 -9.009 -0.824 -2.527 1.00 72.13 C ATOM 1062 O LEU A 67 -9.384 0.128 -1.843 1.00 1.31 O ATOM 1063 CB LEU A 67 -7.902 -2.555 -1.083 1.00 43.45 C ATOM 1064 CG LEU A 67 -7.919 -3.927 -0.386 1.00 54.40 C ATOM 1065 CD1 LEU A 67 -6.650 -4.125 0.436 1.00 31.14 C ATOM 1066 CD2 LEU A 67 -9.162 -4.076 0.492 1.00 70.43 C ATOM 0 H LEU A 67 -8.268 -3.659 -3.317 1.00 73.31 H new ATOM 0 HA LEU A 67 -10.028 -2.344 -1.417 1.00 62.23 H new ATOM 0 HB2 LEU A 67 -6.993 -2.481 -1.679 1.00 43.45 H new ATOM 0 HB3 LEU A 67 -7.847 -1.779 -0.319 1.00 43.45 H new ATOM 0 HG LEU A 67 -7.954 -4.700 -1.154 1.00 54.40 H new ATOM 0 HD11 LEU A 67 -6.680 -5.100 0.922 1.00 31.14 H new ATOM 0 HD12 LEU A 67 -5.780 -4.072 -0.219 1.00 31.14 H new ATOM 0 HD13 LEU A 67 -6.582 -3.344 1.194 1.00 31.14 H new ATOM 0 HD21 LEU A 67 -9.152 -5.054 0.974 1.00 70.43 H new ATOM 0 HD22 LEU A 67 -9.165 -3.296 1.253 1.00 70.43 H new ATOM 0 HD23 LEU A 67 -10.056 -3.985 -0.125 1.00 70.43 H new ATOM 1078 N LEU A 68 -8.514 -0.674 -3.757 1.00 2.20 N ATOM 1079 CA LEU A 68 -8.305 0.653 -4.355 1.00 31.13 C ATOM 1080 C LEU A 68 -9.618 1.443 -4.493 1.00 34.32 C ATOM 1081 O LEU A 68 -9.643 2.656 -4.289 1.00 63.42 O ATOM 1082 CB LEU A 68 -7.627 0.513 -5.725 1.00 43.11 C ATOM 1083 CG LEU A 68 -6.200 -0.067 -5.702 1.00 33.22 C ATOM 1084 CD1 LEU A 68 -5.649 -0.200 -7.119 1.00 35.11 C ATOM 1085 CD2 LEU A 68 -5.275 0.800 -4.846 1.00 72.24 C ATOM 0 H LEU A 68 -8.249 -1.452 -4.361 1.00 2.20 H new ATOM 0 HA LEU A 68 -7.657 1.215 -3.682 1.00 31.13 H new ATOM 0 HB2 LEU A 68 -8.249 -0.123 -6.355 1.00 43.11 H new ATOM 0 HB3 LEU A 68 -7.594 1.495 -6.197 1.00 43.11 H new ATOM 0 HG LEU A 68 -6.246 -1.061 -5.256 1.00 33.22 H new ATOM 0 HD11 LEU A 68 -4.640 -0.611 -7.080 1.00 35.11 H new ATOM 0 HD12 LEU A 68 -6.290 -0.865 -7.698 1.00 35.11 H new ATOM 0 HD13 LEU A 68 -5.623 0.781 -7.593 1.00 35.11 H new ATOM 0 HD21 LEU A 68 -4.273 0.371 -4.844 1.00 72.24 H new ATOM 0 HD22 LEU A 68 -5.237 1.809 -5.258 1.00 72.24 H new ATOM 0 HD23 LEU A 68 -5.655 0.839 -3.825 1.00 72.24 H new ATOM 1097 N LYS A 69 -10.710 0.754 -4.822 1.00 70.32 N ATOM 1098 CA LYS A 69 -12.011 1.415 -5.012 1.00 23.35 C ATOM 1099 C LYS A 69 -12.529 2.070 -3.714 1.00 3.01 C ATOM 1100 O LYS A 69 -13.427 2.910 -3.751 1.00 42.30 O ATOM 1101 CB LYS A 69 -13.056 0.420 -5.546 1.00 13.32 C ATOM 1102 CG LYS A 69 -13.370 -0.729 -4.589 1.00 54.51 C ATOM 1103 CD LYS A 69 -14.558 -1.567 -5.069 1.00 25.02 C ATOM 1104 CE LYS A 69 -15.849 -0.752 -5.100 1.00 74.21 C ATOM 1105 NZ LYS A 69 -17.017 -1.559 -5.544 1.00 31.14 N ATOM 0 H LYS A 69 -10.726 -0.256 -4.963 1.00 70.32 H new ATOM 0 HA LYS A 69 -11.857 2.206 -5.746 1.00 23.35 H new ATOM 0 HB2 LYS A 69 -13.978 0.960 -5.763 1.00 13.32 H new ATOM 0 HB3 LYS A 69 -12.699 0.006 -6.489 1.00 13.32 H new ATOM 0 HG2 LYS A 69 -12.492 -1.368 -4.489 1.00 54.51 H new ATOM 0 HG3 LYS A 69 -13.586 -0.327 -3.599 1.00 54.51 H new ATOM 0 HD2 LYS A 69 -14.350 -1.956 -6.066 1.00 25.02 H new ATOM 0 HD3 LYS A 69 -14.686 -2.427 -4.411 1.00 25.02 H new ATOM 0 HE2 LYS A 69 -16.045 -0.349 -4.106 1.00 74.21 H new ATOM 0 HE3 LYS A 69 -15.723 0.099 -5.770 1.00 74.21 H new ATOM 0 HZ1 LYS A 69 -17.869 -0.963 -5.549 1.00 31.14 H new ATOM 0 HZ2 LYS A 69 -16.843 -1.923 -6.503 1.00 31.14 H new ATOM 0 HZ3 LYS A 69 -17.156 -2.357 -4.891 1.00 31.14 H new ATOM 1119 N LYS A 70 -11.953 1.691 -2.572 1.00 61.25 N ATOM 1120 CA LYS A 70 -12.396 2.197 -1.265 1.00 14.31 C ATOM 1121 C LYS A 70 -11.949 3.651 -1.020 1.00 62.03 C ATOM 1122 O LYS A 70 -12.590 4.387 -0.267 1.00 12.10 O ATOM 1123 CB LYS A 70 -11.855 1.294 -0.149 1.00 72.33 C ATOM 1124 CG LYS A 70 -12.344 -0.150 -0.235 1.00 11.02 C ATOM 1125 CD LYS A 70 -11.651 -1.046 0.791 1.00 23.12 C ATOM 1126 CE LYS A 70 -11.915 -0.592 2.226 1.00 51.25 C ATOM 1127 NZ LYS A 70 -13.341 -0.749 2.611 1.00 54.53 N ATOM 0 H LYS A 70 -11.175 1.033 -2.523 1.00 61.25 H new ATOM 0 HA LYS A 70 -13.486 2.184 -1.262 1.00 14.31 H new ATOM 0 HB2 LYS A 70 -10.766 1.302 -0.184 1.00 72.33 H new ATOM 0 HB3 LYS A 70 -12.146 1.710 0.816 1.00 72.33 H new ATOM 0 HG2 LYS A 70 -13.422 -0.179 -0.074 1.00 11.02 H new ATOM 0 HG3 LYS A 70 -12.161 -0.537 -1.238 1.00 11.02 H new ATOM 0 HD2 LYS A 70 -11.997 -2.072 0.667 1.00 23.12 H new ATOM 0 HD3 LYS A 70 -10.577 -1.047 0.604 1.00 23.12 H new ATOM 0 HE2 LYS A 70 -11.291 -1.169 2.908 1.00 51.25 H new ATOM 0 HE3 LYS A 70 -11.624 0.453 2.334 1.00 51.25 H new ATOM 0 HZ1 LYS A 70 -13.458 -0.509 3.616 1.00 54.53 H new ATOM 0 HZ2 LYS A 70 -13.928 -0.114 2.033 1.00 54.53 H new ATOM 0 HZ3 LYS A 70 -13.637 -1.734 2.453 1.00 54.53 H new ATOM 1141 N PHE A 71 -10.854 4.057 -1.660 1.00 3.51 N ATOM 1142 CA PHE A 71 -10.296 5.403 -1.468 1.00 62.13 C ATOM 1143 C PHE A 71 -9.796 6.003 -2.791 1.00 54.43 C ATOM 1144 O PHE A 71 -9.821 5.348 -3.835 1.00 24.43 O ATOM 1145 CB PHE A 71 -9.147 5.359 -0.446 1.00 44.12 C ATOM 1146 CG PHE A 71 -7.989 4.473 -0.858 1.00 54.24 C ATOM 1147 CD1 PHE A 71 -8.014 3.107 -0.605 1.00 10.24 C ATOM 1148 CD2 PHE A 71 -6.874 5.007 -1.498 1.00 12.30 C ATOM 1149 CE1 PHE A 71 -6.956 2.296 -0.979 1.00 25.55 C ATOM 1150 CE2 PHE A 71 -5.817 4.198 -1.874 1.00 12.51 C ATOM 1151 CZ PHE A 71 -5.858 2.843 -1.614 1.00 2.33 C ATOM 0 H PHE A 71 -10.332 3.477 -2.317 1.00 3.51 H new ATOM 0 HA PHE A 71 -11.095 6.042 -1.090 1.00 62.13 H new ATOM 0 HB2 PHE A 71 -8.777 6.372 -0.287 1.00 44.12 H new ATOM 0 HB3 PHE A 71 -9.537 5.008 0.509 1.00 44.12 H new ATOM 0 HD1 PHE A 71 -8.870 2.672 -0.110 1.00 10.24 H new ATOM 0 HD2 PHE A 71 -6.834 6.066 -1.704 1.00 12.30 H new ATOM 0 HE1 PHE A 71 -6.989 1.236 -0.774 1.00 25.55 H new ATOM 0 HE2 PHE A 71 -4.959 4.627 -2.371 1.00 12.51 H new ATOM 0 HZ PHE A 71 -5.032 2.211 -1.907 1.00 2.33 H new ATOM 1161 N ARG A 72 -9.346 7.259 -2.743 1.00 35.13 N ATOM 1162 CA ARG A 72 -8.783 7.932 -3.921 1.00 71.54 C ATOM 1163 C ARG A 72 -7.500 8.712 -3.575 1.00 35.12 C ATOM 1164 O ARG A 72 -7.107 8.816 -2.410 1.00 40.21 O ATOM 1165 CB ARG A 72 -9.818 8.873 -4.558 1.00 21.35 C ATOM 1166 CG ARG A 72 -11.035 8.151 -5.135 1.00 1.11 C ATOM 1167 CD ARG A 72 -11.883 9.069 -6.010 1.00 50.53 C ATOM 1168 NE ARG A 72 -11.129 9.580 -7.156 1.00 70.13 N ATOM 1169 CZ ARG A 72 -11.209 9.100 -8.368 1.00 64.54 C ATOM 1170 NH1 ARG A 72 -11.973 8.088 -8.630 1.00 64.30 N ATOM 1171 NH2 ARG A 72 -10.513 9.634 -9.317 1.00 44.41 N ATOM 0 H ARG A 72 -9.360 7.833 -1.900 1.00 35.13 H new ATOM 0 HA ARG A 72 -8.520 7.156 -4.640 1.00 71.54 H new ATOM 0 HB2 ARG A 72 -10.154 9.589 -3.808 1.00 21.35 H new ATOM 0 HB3 ARG A 72 -9.336 9.444 -5.351 1.00 21.35 H new ATOM 0 HG2 ARG A 72 -10.704 7.295 -5.723 1.00 1.11 H new ATOM 0 HG3 ARG A 72 -11.645 7.761 -4.320 1.00 1.11 H new ATOM 0 HD2 ARG A 72 -12.759 8.525 -6.365 1.00 50.53 H new ATOM 0 HD3 ARG A 72 -12.247 9.905 -5.413 1.00 50.53 H new ATOM 0 HE ARG A 72 -10.498 10.365 -6.997 1.00 70.13 H new ATOM 0 HH11 ARG A 72 -12.521 7.657 -7.886 1.00 64.30 H new ATOM 0 HH12 ARG A 72 -12.027 7.722 -9.581 1.00 64.30 H new ATOM 0 HH21 ARG A 72 -9.904 10.428 -9.118 1.00 44.41 H new ATOM 0 HH22 ARG A 72 -10.573 9.262 -10.265 1.00 44.41 H new ATOM 1185 N GLU A 73 -6.854 9.261 -4.604 1.00 0.15 N ATOM 1186 CA GLU A 73 -5.605 10.009 -4.426 1.00 34.41 C ATOM 1187 C GLU A 73 -5.848 11.331 -3.679 1.00 11.13 C ATOM 1188 O GLU A 73 -6.375 12.296 -4.243 1.00 61.13 O ATOM 1189 CB GLU A 73 -4.949 10.272 -5.789 1.00 13.53 C ATOM 1190 CG GLU A 73 -3.578 10.931 -5.695 1.00 2.43 C ATOM 1191 CD GLU A 73 -2.978 11.232 -7.058 1.00 53.23 C ATOM 1192 OE1 GLU A 73 -2.371 10.323 -7.661 1.00 22.11 O ATOM 1193 OE2 GLU A 73 -3.129 12.375 -7.541 1.00 31.51 O ATOM 0 H GLU A 73 -7.174 9.203 -5.571 1.00 0.15 H new ATOM 0 HA GLU A 73 -4.930 9.405 -3.819 1.00 34.41 H new ATOM 0 HB2 GLU A 73 -4.852 9.327 -6.323 1.00 13.53 H new ATOM 0 HB3 GLU A 73 -5.607 10.907 -6.382 1.00 13.53 H new ATOM 0 HG2 GLU A 73 -3.663 11.858 -5.127 1.00 2.43 H new ATOM 0 HG3 GLU A 73 -2.903 10.279 -5.141 1.00 2.43 H new ATOM 1200 N GLY A 74 -5.473 11.359 -2.402 1.00 35.12 N ATOM 1201 CA GLY A 74 -5.683 12.540 -1.571 1.00 24.21 C ATOM 1202 C GLY A 74 -6.253 12.198 -0.197 1.00 32.24 C ATOM 1203 O GLY A 74 -6.166 12.995 0.739 1.00 60.14 O ATOM 0 H GLY A 74 -5.023 10.579 -1.922 1.00 35.12 H new ATOM 0 HA2 GLY A 74 -4.736 13.065 -1.447 1.00 24.21 H new ATOM 0 HA3 GLY A 74 -6.362 13.223 -2.082 1.00 24.21 H new ATOM 1207 N ASP A 75 -6.842 11.007 -0.078 1.00 13.11 N ATOM 1208 CA ASP A 75 -7.433 10.550 1.184 1.00 32.15 C ATOM 1209 C ASP A 75 -6.373 10.019 2.165 1.00 42.31 C ATOM 1210 O ASP A 75 -5.246 9.704 1.782 1.00 21.43 O ATOM 1211 CB ASP A 75 -8.476 9.459 0.907 1.00 32.33 C ATOM 1212 CG ASP A 75 -9.679 9.991 0.150 1.00 73.13 C ATOM 1213 OD1 ASP A 75 -10.366 10.891 0.678 1.00 34.43 O ATOM 1214 OD2 ASP A 75 -9.948 9.515 -0.971 1.00 53.30 O ATOM 0 H ASP A 75 -6.923 10.338 -0.843 1.00 13.11 H new ATOM 0 HA ASP A 75 -7.910 11.412 1.651 1.00 32.15 H new ATOM 0 HB2 ASP A 75 -8.014 8.656 0.333 1.00 32.33 H new ATOM 0 HB3 ASP A 75 -8.806 9.027 1.852 1.00 32.33 H new ATOM 1219 N VAL A 76 -6.746 9.934 3.437 1.00 71.23 N ATOM 1220 CA VAL A 76 -5.873 9.368 4.469 1.00 54.20 C ATOM 1221 C VAL A 76 -6.223 7.892 4.715 1.00 43.03 C ATOM 1222 O VAL A 76 -7.347 7.577 5.104 1.00 54.01 O ATOM 1223 CB VAL A 76 -6.005 10.148 5.802 1.00 32.55 C ATOM 1224 CG1 VAL A 76 -5.000 9.640 6.835 1.00 31.31 C ATOM 1225 CG2 VAL A 76 -5.847 11.650 5.571 1.00 15.11 C ATOM 0 H VAL A 76 -7.652 10.251 3.784 1.00 71.23 H new ATOM 0 HA VAL A 76 -4.846 9.448 4.112 1.00 54.20 H new ATOM 0 HB VAL A 76 -7.005 9.974 6.198 1.00 32.55 H new ATOM 0 HG11 VAL A 76 -5.114 10.204 7.761 1.00 31.31 H new ATOM 0 HG12 VAL A 76 -5.181 8.583 7.029 1.00 31.31 H new ATOM 0 HG13 VAL A 76 -3.988 9.771 6.453 1.00 31.31 H new ATOM 0 HG21 VAL A 76 -5.943 12.176 6.521 1.00 15.11 H new ATOM 0 HG22 VAL A 76 -4.865 11.851 5.143 1.00 15.11 H new ATOM 0 HG23 VAL A 76 -6.620 11.996 4.884 1.00 15.11 H new ATOM 1235 N ILE A 77 -5.271 6.985 4.495 1.00 53.53 N ATOM 1236 CA ILE A 77 -5.548 5.546 4.626 1.00 63.33 C ATOM 1237 C ILE A 77 -4.642 4.856 5.654 1.00 24.33 C ATOM 1238 O ILE A 77 -3.554 5.335 5.982 1.00 31.40 O ATOM 1239 CB ILE A 77 -5.414 4.802 3.272 1.00 43.13 C ATOM 1240 CG1 ILE A 77 -3.976 4.905 2.731 1.00 12.51 C ATOM 1241 CG2 ILE A 77 -6.421 5.345 2.260 1.00 13.44 C ATOM 1242 CD1 ILE A 77 -3.741 4.108 1.462 1.00 71.52 C ATOM 0 H ILE A 77 -4.313 7.212 4.229 1.00 53.53 H new ATOM 0 HA ILE A 77 -6.579 5.488 4.974 1.00 63.33 H new ATOM 0 HB ILE A 77 -5.634 3.747 3.437 1.00 43.13 H new ATOM 0 HG12 ILE A 77 -3.744 5.953 2.539 1.00 12.51 H new ATOM 0 HG13 ILE A 77 -3.283 4.561 3.499 1.00 12.51 H new ATOM 0 HG21 ILE A 77 -6.312 4.811 1.316 1.00 13.44 H new ATOM 0 HG22 ILE A 77 -7.432 5.205 2.642 1.00 13.44 H new ATOM 0 HG23 ILE A 77 -6.238 6.407 2.099 1.00 13.44 H new ATOM 0 HD11 ILE A 77 -2.706 4.230 1.142 1.00 71.52 H new ATOM 0 HD12 ILE A 77 -3.940 3.053 1.653 1.00 71.52 H new ATOM 0 HD13 ILE A 77 -4.408 4.467 0.678 1.00 71.52 H new ATOM 1254 N ARG A 78 -5.116 3.721 6.150 1.00 71.14 N ATOM 1255 CA ARG A 78 -4.366 2.882 7.083 1.00 10.54 C ATOM 1256 C ARG A 78 -4.444 1.413 6.637 1.00 14.43 C ATOM 1257 O ARG A 78 -5.512 0.800 6.667 1.00 4.43 O ATOM 1258 CB ARG A 78 -4.935 3.043 8.500 1.00 24.21 C ATOM 1259 CG ARG A 78 -4.216 2.219 9.564 1.00 22.05 C ATOM 1260 CD ARG A 78 -4.889 2.360 10.925 1.00 52.34 C ATOM 1261 NE ARG A 78 -4.141 1.686 11.986 1.00 1.01 N ATOM 1262 CZ ARG A 78 -4.599 0.690 12.697 1.00 31.35 C ATOM 1263 NH1 ARG A 78 -5.773 0.187 12.469 1.00 71.24 N ATOM 1264 NH2 ARG A 78 -3.876 0.197 13.645 1.00 53.54 N ATOM 0 H ARG A 78 -6.038 3.352 5.916 1.00 71.14 H new ATOM 0 HA ARG A 78 -3.321 3.192 7.089 1.00 10.54 H new ATOM 0 HB2 ARG A 78 -4.889 4.095 8.780 1.00 24.21 H new ATOM 0 HB3 ARG A 78 -5.988 2.762 8.490 1.00 24.21 H new ATOM 0 HG2 ARG A 78 -4.205 1.170 9.268 1.00 22.05 H new ATOM 0 HG3 ARG A 78 -3.177 2.541 9.635 1.00 22.05 H new ATOM 0 HD2 ARG A 78 -4.990 3.417 11.170 1.00 52.34 H new ATOM 0 HD3 ARG A 78 -5.896 1.947 10.874 1.00 52.34 H new ATOM 0 HE ARG A 78 -3.197 2.016 12.185 1.00 1.01 H new ATOM 0 HH11 ARG A 78 -6.356 0.569 11.724 1.00 71.24 H new ATOM 0 HH12 ARG A 78 -6.113 -0.591 13.035 1.00 71.24 H new ATOM 0 HH21 ARG A 78 -2.952 0.585 13.836 1.00 53.54 H new ATOM 0 HH22 ARG A 78 -4.228 -0.581 14.203 1.00 53.54 H new ATOM 1278 N ILE A 79 -3.320 0.860 6.204 1.00 65.41 N ATOM 1279 CA ILE A 79 -3.279 -0.512 5.686 1.00 31.42 C ATOM 1280 C ILE A 79 -2.887 -1.513 6.784 1.00 14.54 C ATOM 1281 O ILE A 79 -1.799 -1.427 7.354 1.00 42.51 O ATOM 1282 CB ILE A 79 -2.282 -0.633 4.508 1.00 51.31 C ATOM 1283 CG1 ILE A 79 -2.558 0.450 3.451 1.00 33.23 C ATOM 1284 CG2 ILE A 79 -2.365 -2.025 3.884 1.00 2.03 C ATOM 1285 CD1 ILE A 79 -1.587 0.441 2.286 1.00 0.54 C ATOM 0 H ILE A 79 -2.418 1.337 6.199 1.00 65.41 H new ATOM 0 HA ILE A 79 -4.283 -0.749 5.333 1.00 31.42 H new ATOM 0 HB ILE A 79 -1.273 -0.485 4.893 1.00 51.31 H new ATOM 0 HG12 ILE A 79 -3.570 0.319 3.068 1.00 33.23 H new ATOM 0 HG13 ILE A 79 -2.524 1.428 3.931 1.00 33.23 H new ATOM 0 HG21 ILE A 79 -1.659 -2.096 3.057 1.00 2.03 H new ATOM 0 HG22 ILE A 79 -2.120 -2.776 4.635 1.00 2.03 H new ATOM 0 HG23 ILE A 79 -3.375 -2.198 3.514 1.00 2.03 H new ATOM 0 HD11 ILE A 79 -1.851 1.234 1.586 1.00 0.54 H new ATOM 0 HD12 ILE A 79 -0.574 0.604 2.655 1.00 0.54 H new ATOM 0 HD13 ILE A 79 -1.637 -0.522 1.778 1.00 0.54 H new ATOM 1297 N LYS A 80 -3.771 -2.465 7.073 1.00 63.52 N ATOM 1298 CA LYS A 80 -3.516 -3.457 8.122 1.00 41.53 C ATOM 1299 C LYS A 80 -2.928 -4.759 7.547 1.00 74.42 C ATOM 1300 O LYS A 80 -3.405 -5.276 6.531 1.00 35.43 O ATOM 1301 CB LYS A 80 -4.806 -3.753 8.902 1.00 23.00 C ATOM 1302 CG LYS A 80 -4.601 -4.702 10.082 1.00 72.41 C ATOM 1303 CD LYS A 80 -5.874 -4.881 10.906 1.00 62.23 C ATOM 1304 CE LYS A 80 -5.677 -5.883 12.040 1.00 31.14 C ATOM 1305 NZ LYS A 80 -5.397 -7.257 11.530 1.00 1.43 N ATOM 0 H LYS A 80 -4.668 -2.573 6.599 1.00 63.52 H new ATOM 0 HA LYS A 80 -2.777 -3.034 8.802 1.00 41.53 H new ATOM 0 HB2 LYS A 80 -5.223 -2.815 9.269 1.00 23.00 H new ATOM 0 HB3 LYS A 80 -5.541 -4.184 8.223 1.00 23.00 H new ATOM 0 HG2 LYS A 80 -4.270 -5.673 9.712 1.00 72.41 H new ATOM 0 HG3 LYS A 80 -3.807 -4.317 10.722 1.00 72.41 H new ATOM 0 HD2 LYS A 80 -6.178 -3.919 11.319 1.00 62.23 H new ATOM 0 HD3 LYS A 80 -6.682 -5.219 10.258 1.00 62.23 H new ATOM 0 HE2 LYS A 80 -4.852 -5.556 12.673 1.00 31.14 H new ATOM 0 HE3 LYS A 80 -6.570 -5.903 12.665 1.00 31.14 H new ATOM 0 HZ1 LYS A 80 -6.233 -7.859 11.676 1.00 1.43 H new ATOM 0 HZ2 LYS A 80 -5.176 -7.212 10.515 1.00 1.43 H new ATOM 0 HZ3 LYS A 80 -4.587 -7.659 12.043 1.00 1.43 H new ATOM 1319 N ASP A 81 -1.889 -5.272 8.220 1.00 3.43 N ATOM 1320 CA ASP A 81 -1.217 -6.526 7.843 1.00 61.20 C ATOM 1321 C ASP A 81 -0.413 -6.400 6.532 1.00 3.11 C ATOM 1322 O ASP A 81 -0.910 -6.702 5.449 1.00 31.15 O ATOM 1323 CB ASP A 81 -2.226 -7.683 7.746 1.00 53.15 C ATOM 1324 CG ASP A 81 -2.885 -7.990 9.081 1.00 43.11 C ATOM 1325 OD1 ASP A 81 -2.158 -8.337 10.035 1.00 72.14 O ATOM 1326 OD2 ASP A 81 -4.128 -7.892 9.187 1.00 44.33 O ATOM 0 H ASP A 81 -1.488 -4.827 9.046 1.00 3.43 H new ATOM 0 HA ASP A 81 -0.502 -6.745 8.636 1.00 61.20 H new ATOM 0 HB2 ASP A 81 -2.994 -7.432 7.014 1.00 53.15 H new ATOM 0 HB3 ASP A 81 -1.718 -8.575 7.381 1.00 53.15 H new ATOM 1331 N VAL A 82 0.834 -5.940 6.643 1.00 72.43 N ATOM 1332 CA VAL A 82 1.753 -5.868 5.493 1.00 44.54 C ATOM 1333 C VAL A 82 3.177 -6.274 5.895 1.00 2.04 C ATOM 1334 O VAL A 82 3.533 -6.249 7.075 1.00 50.23 O ATOM 1335 CB VAL A 82 1.802 -4.449 4.862 1.00 71.13 C ATOM 1336 CG1 VAL A 82 0.463 -4.082 4.232 1.00 53.10 C ATOM 1337 CG2 VAL A 82 2.219 -3.404 5.896 1.00 41.15 C ATOM 0 H VAL A 82 1.237 -5.609 7.519 1.00 72.43 H new ATOM 0 HA VAL A 82 1.362 -6.566 4.753 1.00 44.54 H new ATOM 0 HB VAL A 82 2.553 -4.462 4.072 1.00 71.13 H new ATOM 0 HG11 VAL A 82 0.526 -3.084 3.798 1.00 53.10 H new ATOM 0 HG12 VAL A 82 0.219 -4.802 3.451 1.00 53.10 H new ATOM 0 HG13 VAL A 82 -0.315 -4.097 4.996 1.00 53.10 H new ATOM 0 HG21 VAL A 82 2.245 -2.420 5.428 1.00 41.15 H new ATOM 0 HG22 VAL A 82 1.501 -3.397 6.716 1.00 41.15 H new ATOM 0 HG23 VAL A 82 3.208 -3.649 6.282 1.00 41.15 H new ATOM 1347 N ASN A 83 3.988 -6.653 4.911 1.00 2.03 N ATOM 1348 CA ASN A 83 5.397 -6.985 5.154 1.00 62.44 C ATOM 1349 C ASN A 83 6.325 -5.947 4.508 1.00 72.34 C ATOM 1350 O ASN A 83 6.230 -5.668 3.309 1.00 1.25 O ATOM 1351 CB ASN A 83 5.728 -8.392 4.636 1.00 12.23 C ATOM 1352 CG ASN A 83 5.001 -9.490 5.400 1.00 33.14 C ATOM 1353 OD1 ASN A 83 4.761 -9.279 6.680 1.00 32.32 O flip ATOM 1354 ND2 ASN A 83 4.665 -10.531 4.845 1.00 54.32 N flip ATOM 0 H ASN A 83 3.698 -6.739 3.937 1.00 2.03 H new ATOM 0 HA ASN A 83 5.560 -6.969 6.232 1.00 62.44 H new ATOM 0 HB2 ASN A 83 5.466 -8.456 3.580 1.00 12.23 H new ATOM 0 HB3 ASN A 83 6.803 -8.557 4.708 1.00 12.23 H new ATOM 0 HD21 ASN A 83 4.863 -10.667 3.854 1.00 54.32 H new ATOM 0 HD22 ASN A 83 4.187 -11.260 5.375 1.00 54.32 H new ATOM 1361 N ILE A 84 7.221 -5.379 5.313 1.00 53.32 N ATOM 1362 CA ILE A 84 8.158 -4.359 4.835 1.00 31.54 C ATOM 1363 C ILE A 84 9.359 -4.994 4.121 1.00 12.24 C ATOM 1364 O ILE A 84 10.081 -5.800 4.699 1.00 12.31 O ATOM 1365 CB ILE A 84 8.672 -3.481 6.008 1.00 2.55 C ATOM 1366 CG1 ILE A 84 7.490 -2.901 6.805 1.00 43.12 C ATOM 1367 CG2 ILE A 84 9.581 -2.363 5.494 1.00 15.14 C ATOM 1368 CD1 ILE A 84 6.538 -2.062 5.974 1.00 71.45 C ATOM 0 H ILE A 84 7.319 -5.607 6.302 1.00 53.32 H new ATOM 0 HA ILE A 84 7.614 -3.734 4.127 1.00 31.54 H new ATOM 0 HB ILE A 84 9.259 -4.112 6.675 1.00 2.55 H new ATOM 0 HG12 ILE A 84 6.934 -3.721 7.259 1.00 43.12 H new ATOM 0 HG13 ILE A 84 7.879 -2.291 7.620 1.00 43.12 H new ATOM 0 HG21 ILE A 84 9.928 -1.761 6.334 1.00 15.14 H new ATOM 0 HG22 ILE A 84 10.438 -2.798 4.980 1.00 15.14 H new ATOM 0 HG23 ILE A 84 9.025 -1.732 4.801 1.00 15.14 H new ATOM 0 HD11 ILE A 84 5.733 -1.690 6.608 1.00 71.45 H new ATOM 0 HD12 ILE A 84 7.078 -1.220 5.541 1.00 71.45 H new ATOM 0 HD13 ILE A 84 6.118 -2.673 5.175 1.00 71.45 H new ATOM 1380 N ARG A 85 9.567 -4.629 2.860 1.00 11.31 N ATOM 1381 CA ARG A 85 10.689 -5.161 2.077 1.00 13.04 C ATOM 1382 C ARG A 85 11.923 -4.252 2.173 1.00 73.21 C ATOM 1383 O ARG A 85 13.037 -4.672 1.861 1.00 74.02 O ATOM 1384 CB ARG A 85 10.268 -5.340 0.615 1.00 22.20 C ATOM 1385 CG ARG A 85 9.102 -6.306 0.429 1.00 31.44 C ATOM 1386 CD ARG A 85 9.476 -7.737 0.801 1.00 11.44 C ATOM 1387 NE ARG A 85 10.455 -8.302 -0.126 1.00 64.14 N ATOM 1388 CZ ARG A 85 11.127 -9.401 0.097 1.00 11.44 C ATOM 1389 NH1 ARG A 85 11.016 -10.025 1.225 1.00 74.52 N ATOM 1390 NH2 ARG A 85 11.926 -9.868 -0.805 1.00 72.44 N ATOM 0 H ARG A 85 8.977 -3.968 2.354 1.00 11.31 H new ATOM 0 HA ARG A 85 10.962 -6.131 2.492 1.00 13.04 H new ATOM 0 HB2 ARG A 85 9.994 -4.369 0.203 1.00 22.20 H new ATOM 0 HB3 ARG A 85 11.122 -5.700 0.041 1.00 22.20 H new ATOM 0 HG2 ARG A 85 8.261 -5.981 1.042 1.00 31.44 H new ATOM 0 HG3 ARG A 85 8.770 -6.277 -0.609 1.00 31.44 H new ATOM 0 HD2 ARG A 85 9.881 -7.755 1.813 1.00 11.44 H new ATOM 0 HD3 ARG A 85 8.580 -8.357 0.805 1.00 11.44 H new ATOM 0 HE ARG A 85 10.624 -7.808 -1.002 1.00 64.14 H new ATOM 0 HH11 ARG A 85 10.399 -9.660 1.951 1.00 74.52 H new ATOM 0 HH12 ARG A 85 11.545 -10.882 1.388 1.00 74.52 H new ATOM 0 HH21 ARG A 85 12.034 -9.379 -1.694 1.00 72.44 H new ATOM 0 HH22 ARG A 85 12.449 -10.726 -0.628 1.00 72.44 H new ATOM 1404 N GLY A 86 11.709 -3.008 2.605 1.00 13.51 N ATOM 1405 CA GLY A 86 12.812 -2.065 2.785 1.00 24.42 C ATOM 1406 C GLY A 86 13.475 -1.638 1.476 1.00 33.31 C ATOM 1407 O GLY A 86 14.666 -1.878 1.263 1.00 34.12 O ATOM 0 H GLY A 86 10.789 -2.633 2.835 1.00 13.51 H new ATOM 0 HA2 GLY A 86 12.440 -1.179 3.300 1.00 24.42 H new ATOM 0 HA3 GLY A 86 13.563 -2.518 3.432 1.00 24.42 H new ATOM 1411 N GLY A 87 12.697 -1.004 0.601 1.00 40.21 N ATOM 1412 CA GLY A 87 13.226 -0.505 -0.664 1.00 21.33 C ATOM 1413 C GLY A 87 14.419 0.435 -0.486 1.00 1.22 C ATOM 1414 O GLY A 87 14.333 1.439 0.225 1.00 31.00 O ATOM 0 H GLY A 87 11.703 -0.825 0.745 1.00 40.21 H new ATOM 0 HA2 GLY A 87 13.526 -1.350 -1.284 1.00 21.33 H new ATOM 0 HA3 GLY A 87 12.435 0.019 -1.200 1.00 21.33 H new ATOM 1418 N PHE A 88 15.538 0.098 -1.121 1.00 54.42 N ATOM 1419 CA PHE A 88 16.751 0.918 -1.053 1.00 14.32 C ATOM 1420 C PHE A 88 16.587 2.230 -1.842 1.00 44.11 C ATOM 1421 O PHE A 88 16.083 2.236 -2.966 1.00 33.10 O ATOM 1422 CB PHE A 88 17.966 0.120 -1.567 1.00 34.41 C ATOM 1423 CG PHE A 88 17.794 -0.460 -2.953 1.00 33.22 C ATOM 1424 CD1 PHE A 88 17.154 -1.678 -3.138 1.00 21.50 C ATOM 1425 CD2 PHE A 88 18.276 0.212 -4.069 1.00 70.05 C ATOM 1426 CE1 PHE A 88 16.997 -2.211 -4.404 1.00 11.15 C ATOM 1427 CE2 PHE A 88 18.121 -0.318 -5.335 1.00 24.50 C ATOM 1428 CZ PHE A 88 17.479 -1.530 -5.503 1.00 1.43 C ATOM 0 H PHE A 88 15.633 -0.742 -1.692 1.00 54.42 H new ATOM 0 HA PHE A 88 16.922 1.181 -0.009 1.00 14.32 H new ATOM 0 HB2 PHE A 88 18.840 0.772 -1.565 1.00 34.41 H new ATOM 0 HB3 PHE A 88 18.173 -0.692 -0.870 1.00 34.41 H new ATOM 0 HD1 PHE A 88 16.774 -2.216 -2.282 1.00 21.50 H new ATOM 0 HD2 PHE A 88 18.778 1.160 -3.945 1.00 70.05 H new ATOM 0 HE1 PHE A 88 16.497 -3.160 -4.533 1.00 11.15 H new ATOM 0 HE2 PHE A 88 18.502 0.215 -6.194 1.00 24.50 H new ATOM 0 HZ PHE A 88 17.355 -1.944 -6.493 1.00 1.43 H new ATOM 1438 N GLY A 89 17.010 3.340 -1.240 1.00 5.10 N ATOM 1439 CA GLY A 89 16.870 4.648 -1.877 1.00 25.30 C ATOM 1440 C GLY A 89 16.273 5.705 -0.949 1.00 11.03 C ATOM 1441 O GLY A 89 16.184 6.881 -1.312 1.00 72.33 O ATOM 0 H GLY A 89 17.449 3.361 -0.320 1.00 5.10 H new ATOM 0 HA2 GLY A 89 17.848 4.985 -2.220 1.00 25.30 H new ATOM 0 HA3 GLY A 89 16.239 4.550 -2.760 1.00 25.30 H new ATOM 1445 N GLY A 90 15.871 5.287 0.251 1.00 31.24 N ATOM 1446 CA GLY A 90 15.275 6.202 1.222 1.00 61.34 C ATOM 1447 C GLY A 90 13.847 5.819 1.595 1.00 23.53 C ATOM 1448 O GLY A 90 13.610 5.181 2.622 1.00 1.40 O ATOM 0 H GLY A 90 15.947 4.322 0.573 1.00 31.24 H new ATOM 0 HA2 GLY A 90 15.889 6.219 2.123 1.00 61.34 H new ATOM 0 HA3 GLY A 90 15.280 7.212 0.813 1.00 61.34 H new ATOM 1452 N ARG A 91 12.896 6.201 0.752 1.00 32.45 N ATOM 1453 CA ARG A 91 11.481 5.896 0.989 1.00 52.41 C ATOM 1454 C ARG A 91 11.201 4.400 0.757 1.00 32.04 C ATOM 1455 O ARG A 91 11.252 3.912 -0.374 1.00 21.40 O ATOM 1456 CB ARG A 91 10.613 6.781 0.081 1.00 42.42 C ATOM 1457 CG ARG A 91 10.997 8.261 0.180 1.00 75.51 C ATOM 1458 CD ARG A 91 10.254 9.151 -0.814 1.00 62.44 C ATOM 1459 NE ARG A 91 10.962 10.423 -1.011 1.00 33.03 N ATOM 1460 CZ ARG A 91 10.399 11.552 -1.358 1.00 33.41 C ATOM 1461 NH1 ARG A 91 9.119 11.652 -1.477 1.00 4.54 N ATOM 1462 NH2 ARG A 91 11.131 12.598 -1.564 1.00 60.32 N ATOM 0 H ARG A 91 13.074 6.724 -0.105 1.00 32.45 H new ATOM 0 HA ARG A 91 11.230 6.112 2.028 1.00 52.41 H new ATOM 0 HB2 ARG A 91 10.715 6.449 -0.952 1.00 42.42 H new ATOM 0 HB3 ARG A 91 9.564 6.660 0.353 1.00 42.42 H new ATOM 0 HG2 ARG A 91 10.796 8.613 1.192 1.00 75.51 H new ATOM 0 HG3 ARG A 91 12.070 8.362 0.014 1.00 75.51 H new ATOM 0 HD2 ARG A 91 10.156 8.634 -1.768 1.00 62.44 H new ATOM 0 HD3 ARG A 91 9.245 9.345 -0.451 1.00 62.44 H new ATOM 0 HE ARG A 91 11.972 10.426 -0.866 1.00 33.03 H new ATOM 0 HH11 ARG A 91 8.525 10.842 -1.300 1.00 4.54 H new ATOM 0 HH12 ARG A 91 8.700 12.541 -1.749 1.00 4.54 H new ATOM 0 HH21 ARG A 91 12.144 12.541 -1.456 1.00 60.32 H new ATOM 0 HH22 ARG A 91 10.696 13.480 -1.835 1.00 60.32 H new ATOM 1476 N LYS A 92 10.917 3.686 1.849 1.00 51.33 N ATOM 1477 CA LYS A 92 10.782 2.217 1.835 1.00 52.24 C ATOM 1478 C LYS A 92 9.555 1.729 1.041 1.00 23.20 C ATOM 1479 O LYS A 92 8.806 2.515 0.461 1.00 51.52 O ATOM 1480 CB LYS A 92 10.690 1.700 3.278 1.00 11.23 C ATOM 1481 CG LYS A 92 11.843 2.140 4.174 1.00 53.23 C ATOM 1482 CD LYS A 92 11.674 1.623 5.598 1.00 44.30 C ATOM 1483 CE LYS A 92 12.764 2.142 6.530 1.00 44.12 C ATOM 1484 NZ LYS A 92 14.123 1.746 6.079 1.00 62.11 N ATOM 0 H LYS A 92 10.773 4.103 2.769 1.00 51.33 H new ATOM 0 HA LYS A 92 11.665 1.821 1.334 1.00 52.24 H new ATOM 0 HB2 LYS A 92 9.753 2.043 3.716 1.00 11.23 H new ATOM 0 HB3 LYS A 92 10.654 0.611 3.260 1.00 11.23 H new ATOM 0 HG2 LYS A 92 12.784 1.775 3.763 1.00 53.23 H new ATOM 0 HG3 LYS A 92 11.901 3.228 4.186 1.00 53.23 H new ATOM 0 HD2 LYS A 92 10.698 1.924 5.979 1.00 44.30 H new ATOM 0 HD3 LYS A 92 11.691 0.533 5.592 1.00 44.30 H new ATOM 0 HE2 LYS A 92 12.704 3.229 6.587 1.00 44.12 H new ATOM 0 HE3 LYS A 92 12.591 1.760 7.536 1.00 44.12 H new ATOM 0 HZ1 LYS A 92 14.821 2.017 6.801 1.00 62.11 H new ATOM 0 HZ2 LYS A 92 14.155 0.716 5.935 1.00 62.11 H new ATOM 0 HZ3 LYS A 92 14.346 2.227 5.184 1.00 62.11 H new ATOM 1498 N GLU A 93 9.340 0.409 1.062 1.00 22.10 N ATOM 1499 CA GLU A 93 8.220 -0.223 0.354 1.00 1.33 C ATOM 1500 C GLU A 93 7.555 -1.300 1.232 1.00 44.21 C ATOM 1501 O GLU A 93 8.217 -1.952 2.048 1.00 61.05 O ATOM 1502 CB GLU A 93 8.700 -0.855 -0.962 1.00 52.24 C ATOM 1503 CG GLU A 93 9.652 -2.034 -0.769 1.00 63.41 C ATOM 1504 CD GLU A 93 10.047 -2.709 -2.077 1.00 23.22 C ATOM 1505 OE1 GLU A 93 9.152 -3.224 -2.778 1.00 43.32 O ATOM 1506 OE2 GLU A 93 11.255 -2.752 -2.391 1.00 12.22 O ATOM 0 H GLU A 93 9.934 -0.249 1.567 1.00 22.10 H new ATOM 0 HA GLU A 93 7.487 0.552 0.131 1.00 1.33 H new ATOM 0 HB2 GLU A 93 7.833 -1.190 -1.531 1.00 52.24 H new ATOM 0 HB3 GLU A 93 9.198 -0.092 -1.560 1.00 52.24 H new ATOM 0 HG2 GLU A 93 10.552 -1.686 -0.261 1.00 63.41 H new ATOM 0 HG3 GLU A 93 9.181 -2.769 -0.116 1.00 63.41 H new ATOM 1513 N ALA A 94 6.249 -1.482 1.057 1.00 43.20 N ATOM 1514 CA ALA A 94 5.489 -2.486 1.809 1.00 15.21 C ATOM 1515 C ALA A 94 4.556 -3.281 0.888 1.00 64.12 C ATOM 1516 O ALA A 94 3.822 -2.703 0.088 1.00 74.15 O ATOM 1517 CB ALA A 94 4.683 -1.818 2.917 1.00 73.42 C ATOM 0 H ALA A 94 5.688 -0.944 0.396 1.00 43.20 H new ATOM 0 HA ALA A 94 6.201 -3.181 2.254 1.00 15.21 H new ATOM 0 HB1 ALA A 94 4.124 -2.575 3.467 1.00 73.42 H new ATOM 0 HB2 ALA A 94 5.359 -1.300 3.597 1.00 73.42 H new ATOM 0 HB3 ALA A 94 3.989 -1.100 2.480 1.00 73.42 H new ATOM 1523 N HIS A 95 4.582 -4.605 1.007 1.00 4.31 N ATOM 1524 CA HIS A 95 3.752 -5.472 0.161 1.00 54.51 C ATOM 1525 C HIS A 95 2.527 -5.986 0.925 1.00 64.21 C ATOM 1526 O HIS A 95 2.633 -6.463 2.059 1.00 35.03 O ATOM 1527 CB HIS A 95 4.579 -6.645 -0.383 1.00 50.24 C ATOM 1528 CG HIS A 95 5.560 -6.236 -1.442 1.00 73.04 C ATOM 1529 ND1 HIS A 95 5.523 -6.774 -2.706 1.00 53.21 N ATOM 1530 CD2 HIS A 95 6.564 -5.330 -1.380 1.00 23.23 C ATOM 1531 CE1 HIS A 95 6.497 -6.183 -3.379 1.00 61.24 C ATOM 1532 NE2 HIS A 95 7.154 -5.303 -2.614 1.00 72.34 N ATOM 0 H HIS A 95 5.166 -5.105 1.678 1.00 4.31 H new ATOM 0 HA HIS A 95 3.396 -4.877 -0.680 1.00 54.51 H new ATOM 0 HB2 HIS A 95 5.118 -7.114 0.440 1.00 50.24 H new ATOM 0 HB3 HIS A 95 3.905 -7.397 -0.792 1.00 50.24 H new ATOM 0 HD2 HIS A 95 6.846 -4.741 -0.520 1.00 23.23 H new ATOM 0 HE1 HIS A 95 6.732 -6.385 -4.414 1.00 61.24 H new ATOM 0 HE2 HIS A 95 7.944 -4.723 -2.897 1.00 72.34 H new ATOM 1540 N LEU A 96 1.365 -5.875 0.287 1.00 20.04 N ATOM 1541 CA LEU A 96 0.092 -6.268 0.893 1.00 72.44 C ATOM 1542 C LEU A 96 -0.222 -7.754 0.644 1.00 3.30 C ATOM 1543 O LEU A 96 0.366 -8.394 -0.226 1.00 40.22 O ATOM 1544 CB LEU A 96 -1.046 -5.397 0.340 1.00 43.41 C ATOM 1545 CG LEU A 96 -1.154 -3.981 0.931 1.00 30.14 C ATOM 1546 CD1 LEU A 96 0.049 -3.122 0.543 1.00 11.24 C ATOM 1547 CD2 LEU A 96 -2.457 -3.321 0.490 1.00 62.14 C ATOM 0 H LEU A 96 1.277 -5.511 -0.662 1.00 20.04 H new ATOM 0 HA LEU A 96 0.178 -6.119 1.969 1.00 72.44 H new ATOM 0 HB2 LEU A 96 -0.921 -5.311 -0.739 1.00 43.41 H new ATOM 0 HB3 LEU A 96 -1.990 -5.914 0.511 1.00 43.41 H new ATOM 0 HG LEU A 96 -1.158 -4.068 2.018 1.00 30.14 H new ATOM 0 HD11 LEU A 96 -0.059 -2.128 0.977 1.00 11.24 H new ATOM 0 HD12 LEU A 96 0.962 -3.584 0.918 1.00 11.24 H new ATOM 0 HD13 LEU A 96 0.103 -3.040 -0.543 1.00 11.24 H new ATOM 0 HD21 LEU A 96 -2.520 -2.320 0.916 1.00 62.14 H new ATOM 0 HD22 LEU A 96 -2.482 -3.255 -0.598 1.00 62.14 H new ATOM 0 HD23 LEU A 96 -3.302 -3.916 0.837 1.00 62.14 H new ATOM 1559 N MET A 97 -1.165 -8.283 1.415 1.00 2.43 N ATOM 1560 CA MET A 97 -1.557 -9.693 1.327 1.00 73.45 C ATOM 1561 C MET A 97 -3.010 -9.821 0.836 1.00 0.03 C ATOM 1562 O MET A 97 -3.815 -8.908 1.026 1.00 14.15 O ATOM 1563 CB MET A 97 -1.413 -10.328 2.717 1.00 62.32 C ATOM 1564 CG MET A 97 -0.066 -10.044 3.361 1.00 50.12 C ATOM 1565 SD MET A 97 -0.021 -10.456 5.115 1.00 23.50 S ATOM 1566 CE MET A 97 1.545 -9.714 5.559 1.00 71.14 C ATOM 0 H MET A 97 -1.680 -7.753 2.118 1.00 2.43 H new ATOM 0 HA MET A 97 -0.913 -10.206 0.613 1.00 73.45 H new ATOM 0 HB2 MET A 97 -2.206 -9.955 3.365 1.00 62.32 H new ATOM 0 HB3 MET A 97 -1.550 -11.406 2.634 1.00 62.32 H new ATOM 0 HG2 MET A 97 0.706 -10.611 2.841 1.00 50.12 H new ATOM 0 HG3 MET A 97 0.175 -8.988 3.235 1.00 50.12 H new ATOM 0 HE1 MET A 97 2.203 -10.476 5.978 1.00 71.14 H new ATOM 0 HE2 MET A 97 2.008 -9.283 4.671 1.00 71.14 H new ATOM 0 HE3 MET A 97 1.380 -8.931 6.299 1.00 71.14 H new ATOM 1576 N PRO A 98 -3.381 -10.958 0.210 1.00 31.10 N ATOM 1577 CA PRO A 98 -4.759 -11.185 -0.268 1.00 62.43 C ATOM 1578 C PRO A 98 -5.820 -10.977 0.834 1.00 23.35 C ATOM 1579 O PRO A 98 -6.966 -10.617 0.550 1.00 41.13 O ATOM 1580 CB PRO A 98 -4.744 -12.653 -0.747 1.00 63.02 C ATOM 1581 CG PRO A 98 -3.478 -13.242 -0.209 1.00 64.32 C ATOM 1582 CD PRO A 98 -2.505 -12.101 -0.096 1.00 23.45 C ATOM 0 HA PRO A 98 -5.034 -10.475 -1.048 1.00 62.43 H new ATOM 0 HB2 PRO A 98 -5.615 -13.194 -0.378 1.00 63.02 H new ATOM 0 HB3 PRO A 98 -4.771 -12.710 -1.835 1.00 63.02 H new ATOM 0 HG2 PRO A 98 -3.646 -13.709 0.762 1.00 64.32 H new ATOM 0 HG3 PRO A 98 -3.095 -14.017 -0.873 1.00 64.32 H new ATOM 0 HD2 PRO A 98 -1.771 -12.271 0.692 1.00 23.45 H new ATOM 0 HD3 PRO A 98 -1.950 -11.949 -1.022 1.00 23.45 H new ATOM 1590 N ARG A 99 -5.424 -11.194 2.088 1.00 52.13 N ATOM 1591 CA ARG A 99 -6.326 -11.025 3.238 1.00 63.44 C ATOM 1592 C ARG A 99 -6.305 -9.588 3.799 1.00 73.11 C ATOM 1593 O ARG A 99 -7.198 -9.201 4.557 1.00 54.13 O ATOM 1594 CB ARG A 99 -5.936 -12.015 4.343 1.00 31.10 C ATOM 1595 CG ARG A 99 -6.077 -13.477 3.937 1.00 73.24 C ATOM 1596 CD ARG A 99 -5.496 -14.419 4.987 1.00 70.11 C ATOM 1597 NE ARG A 99 -6.095 -14.225 6.306 1.00 0.35 N ATOM 1598 CZ ARG A 99 -6.300 -15.185 7.165 1.00 12.21 C ATOM 1599 NH1 ARG A 99 -5.985 -16.410 6.880 1.00 14.23 N ATOM 1600 NH2 ARG A 99 -6.815 -14.907 8.320 1.00 73.54 N ATOM 0 H ARG A 99 -4.480 -11.489 2.339 1.00 52.13 H new ATOM 0 HA ARG A 99 -7.340 -11.222 2.890 1.00 63.44 H new ATOM 0 HB2 ARG A 99 -4.904 -11.828 4.638 1.00 31.10 H new ATOM 0 HB3 ARG A 99 -6.557 -11.830 5.220 1.00 31.10 H new ATOM 0 HG2 ARG A 99 -7.130 -13.711 3.783 1.00 73.24 H new ATOM 0 HG3 ARG A 99 -5.572 -13.639 2.985 1.00 73.24 H new ATOM 0 HD2 ARG A 99 -5.650 -15.450 4.670 1.00 70.11 H new ATOM 0 HD3 ARG A 99 -4.419 -14.263 5.054 1.00 70.11 H new ATOM 0 HE ARG A 99 -6.370 -13.279 6.572 1.00 0.35 H new ATOM 0 HH11 ARG A 99 -5.571 -16.633 5.975 1.00 14.23 H new ATOM 0 HH12 ARG A 99 -6.151 -17.151 7.561 1.00 14.23 H new ATOM 0 HH21 ARG A 99 -7.057 -13.944 8.552 1.00 73.54 H new ATOM 0 HH22 ARG A 99 -6.979 -15.651 8.998 1.00 73.54 H new ATOM 1614 N SER A 100 -5.296 -8.804 3.421 1.00 23.44 N ATOM 1615 CA SER A 100 -5.103 -7.443 3.961 1.00 35.12 C ATOM 1616 C SER A 100 -6.295 -6.519 3.677 1.00 25.24 C ATOM 1617 O SER A 100 -6.970 -6.642 2.652 1.00 3.15 O ATOM 1618 CB SER A 100 -3.832 -6.810 3.378 1.00 71.41 C ATOM 1619 OG SER A 100 -2.694 -7.617 3.630 1.00 72.32 O ATOM 0 H SER A 100 -4.591 -9.083 2.739 1.00 23.44 H new ATOM 0 HA SER A 100 -5.011 -7.551 5.042 1.00 35.12 H new ATOM 0 HB2 SER A 100 -3.952 -6.671 2.303 1.00 71.41 H new ATOM 0 HB3 SER A 100 -3.683 -5.821 3.812 1.00 71.41 H new ATOM 0 HG SER A 100 -2.095 -7.153 4.252 1.00 72.32 H new ATOM 1625 N THR A 101 -6.532 -5.580 4.589 1.00 23.00 N ATOM 1626 CA THR A 101 -7.624 -4.603 4.462 1.00 54.11 C ATOM 1627 C THR A 101 -7.112 -3.171 4.662 1.00 33.25 C ATOM 1628 O THR A 101 -6.095 -2.953 5.328 1.00 2.50 O ATOM 1629 CB THR A 101 -8.748 -4.866 5.497 1.00 3.02 C ATOM 1630 OG1 THR A 101 -8.206 -4.852 6.828 1.00 45.44 O ATOM 1631 CG2 THR A 101 -9.441 -6.201 5.239 1.00 31.25 C ATOM 0 H THR A 101 -5.977 -5.470 5.438 1.00 23.00 H new ATOM 0 HA THR A 101 -8.024 -4.717 3.455 1.00 54.11 H new ATOM 0 HB THR A 101 -9.488 -4.072 5.395 1.00 3.02 H new ATOM 0 HG1 THR A 101 -8.923 -5.017 7.475 1.00 45.44 H new ATOM 0 HG21 THR A 101 -10.223 -6.354 5.982 1.00 31.25 H new ATOM 0 HG22 THR A 101 -9.883 -6.195 4.243 1.00 31.25 H new ATOM 0 HG23 THR A 101 -8.712 -7.009 5.308 1.00 31.25 H new ATOM 1639 N VAL A 102 -7.811 -2.198 4.080 1.00 62.02 N ATOM 1640 CA VAL A 102 -7.459 -0.782 4.256 1.00 51.24 C ATOM 1641 C VAL A 102 -8.614 0.010 4.898 1.00 4.42 C ATOM 1642 O VAL A 102 -9.766 -0.083 4.469 1.00 43.52 O ATOM 1643 CB VAL A 102 -7.048 -0.110 2.912 1.00 34.01 C ATOM 1644 CG1 VAL A 102 -5.844 -0.821 2.294 1.00 61.32 C ATOM 1645 CG2 VAL A 102 -8.213 -0.065 1.920 1.00 2.31 C ATOM 0 H VAL A 102 -8.623 -2.359 3.484 1.00 62.02 H new ATOM 0 HA VAL A 102 -6.600 -0.761 4.926 1.00 51.24 H new ATOM 0 HB VAL A 102 -6.766 0.919 3.137 1.00 34.01 H new ATOM 0 HG11 VAL A 102 -5.576 -0.334 1.357 1.00 61.32 H new ATOM 0 HG12 VAL A 102 -5.000 -0.773 2.982 1.00 61.32 H new ATOM 0 HG13 VAL A 102 -6.096 -1.864 2.102 1.00 61.32 H new ATOM 0 HG21 VAL A 102 -7.886 0.411 0.996 1.00 2.31 H new ATOM 0 HG22 VAL A 102 -8.549 -1.080 1.707 1.00 2.31 H new ATOM 0 HG23 VAL A 102 -9.036 0.506 2.350 1.00 2.31 H new ATOM 1655 N GLU A 103 -8.296 0.771 5.937 1.00 23.05 N ATOM 1656 CA GLU A 103 -9.279 1.609 6.635 1.00 31.23 C ATOM 1657 C GLU A 103 -8.940 3.098 6.456 1.00 72.31 C ATOM 1658 O GLU A 103 -7.774 3.490 6.532 1.00 45.41 O ATOM 1659 CB GLU A 103 -9.319 1.222 8.123 1.00 54.23 C ATOM 1660 CG GLU A 103 -7.948 1.221 8.794 1.00 73.04 C ATOM 1661 CD GLU A 103 -7.934 0.494 10.129 1.00 31.33 C ATOM 1662 OE1 GLU A 103 -7.695 -0.730 10.140 1.00 34.33 O ATOM 1663 OE2 GLU A 103 -8.142 1.144 11.176 1.00 41.44 O ATOM 0 H GLU A 103 -7.354 0.829 6.324 1.00 23.05 H new ATOM 0 HA GLU A 103 -10.267 1.442 6.206 1.00 31.23 H new ATOM 0 HB2 GLU A 103 -9.972 1.916 8.652 1.00 54.23 H new ATOM 0 HB3 GLU A 103 -9.762 0.231 8.220 1.00 54.23 H new ATOM 0 HG2 GLU A 103 -7.224 0.754 8.126 1.00 73.04 H new ATOM 0 HG3 GLU A 103 -7.624 2.251 8.945 1.00 73.04 H new ATOM 1670 N VAL A 104 -9.952 3.922 6.198 1.00 63.53 N ATOM 1671 CA VAL A 104 -9.729 5.343 5.890 1.00 40.42 C ATOM 1672 C VAL A 104 -9.994 6.257 7.099 1.00 53.12 C ATOM 1673 O VAL A 104 -10.928 6.041 7.877 1.00 44.33 O ATOM 1674 CB VAL A 104 -10.603 5.803 4.696 1.00 51.32 C ATOM 1675 CG1 VAL A 104 -10.198 5.073 3.414 1.00 51.30 C ATOM 1676 CG2 VAL A 104 -12.087 5.592 4.991 1.00 70.01 C ATOM 0 H VAL A 104 -10.932 3.638 6.194 1.00 63.53 H new ATOM 0 HA VAL A 104 -8.676 5.432 5.624 1.00 40.42 H new ATOM 0 HB VAL A 104 -10.436 6.870 4.549 1.00 51.32 H new ATOM 0 HG11 VAL A 104 -10.825 5.412 2.589 1.00 51.30 H new ATOM 0 HG12 VAL A 104 -9.153 5.287 3.188 1.00 51.30 H new ATOM 0 HG13 VAL A 104 -10.327 3.999 3.551 1.00 51.30 H new ATOM 0 HG21 VAL A 104 -12.678 5.923 4.137 1.00 70.01 H new ATOM 0 HG22 VAL A 104 -12.275 4.534 5.174 1.00 70.01 H new ATOM 0 HG23 VAL A 104 -12.368 6.168 5.872 1.00 70.01 H new ATOM 1686 N LEU A 105 -9.161 7.284 7.244 1.00 53.45 N ATOM 1687 CA LEU A 105 -9.294 8.247 8.341 1.00 53.21 C ATOM 1688 C LEU A 105 -9.897 9.568 7.834 1.00 32.14 C ATOM 1689 O LEU A 105 -9.794 9.885 6.651 1.00 35.35 O ATOM 1690 CB LEU A 105 -7.927 8.483 8.999 1.00 43.22 C ATOM 1691 CG LEU A 105 -7.201 7.208 9.472 1.00 20.23 C ATOM 1692 CD1 LEU A 105 -5.903 7.560 10.194 1.00 73.34 C ATOM 1693 CD2 LEU A 105 -8.108 6.362 10.367 1.00 73.33 C ATOM 0 H LEU A 105 -8.382 7.474 6.614 1.00 53.45 H new ATOM 0 HA LEU A 105 -9.973 7.837 9.089 1.00 53.21 H new ATOM 0 HB2 LEU A 105 -7.285 9.006 8.290 1.00 43.22 H new ATOM 0 HB3 LEU A 105 -8.062 9.144 9.855 1.00 43.22 H new ATOM 0 HG LEU A 105 -6.951 6.617 8.591 1.00 20.23 H new ATOM 0 HD11 LEU A 105 -5.408 6.645 10.519 1.00 73.34 H new ATOM 0 HD12 LEU A 105 -5.247 8.107 9.517 1.00 73.34 H new ATOM 0 HD13 LEU A 105 -6.126 8.180 11.062 1.00 73.34 H new ATOM 0 HD21 LEU A 105 -7.572 5.468 10.687 1.00 73.33 H new ATOM 0 HD22 LEU A 105 -8.400 6.943 11.242 1.00 73.33 H new ATOM 0 HD23 LEU A 105 -8.999 6.071 9.811 1.00 73.33 H new ATOM 1705 N ASP A 106 -10.477 10.334 8.766 1.00 52.15 N ATOM 1706 CA ASP A 106 -11.333 11.509 8.487 1.00 3.21 C ATOM 1707 C ASP A 106 -12.822 11.087 8.336 1.00 31.22 C ATOM 1708 O ASP A 106 -13.651 11.509 9.145 1.00 41.03 O ATOM 1709 CB ASP A 106 -10.830 12.372 7.315 1.00 33.33 C ATOM 1710 CG ASP A 106 -11.671 13.622 7.127 1.00 22.20 C ATOM 1711 OD1 ASP A 106 -11.632 14.509 8.008 1.00 63.34 O ATOM 1712 OD2 ASP A 106 -12.378 13.723 6.106 1.00 63.14 O ATOM 0 H ASP A 106 -10.365 10.155 9.764 1.00 52.15 H new ATOM 0 HA ASP A 106 -11.265 12.164 9.356 1.00 3.21 H new ATOM 0 HB2 ASP A 106 -9.793 12.656 7.493 1.00 33.33 H new ATOM 0 HB3 ASP A 106 -10.846 11.783 6.398 1.00 33.33 H new ATOM 1717 N PRO A 107 -13.224 10.275 7.316 1.00 53.42 N ATOM 1718 CA PRO A 107 -14.438 9.447 7.447 1.00 5.21 C ATOM 1719 C PRO A 107 -14.231 8.405 8.559 1.00 35.02 C ATOM 1720 O PRO A 107 -14.128 7.201 8.307 1.00 31.20 O ATOM 1721 CB PRO A 107 -14.597 8.786 6.065 1.00 3.32 C ATOM 1722 CG PRO A 107 -13.251 8.900 5.427 1.00 73.42 C ATOM 1723 CD PRO A 107 -12.643 10.166 5.965 1.00 15.22 C ATOM 0 HA PRO A 107 -15.327 10.015 7.721 1.00 5.21 H new ATOM 0 HB2 PRO A 107 -14.903 7.744 6.158 1.00 3.32 H new ATOM 0 HB3 PRO A 107 -15.360 9.290 5.471 1.00 3.32 H new ATOM 0 HG2 PRO A 107 -12.631 8.036 5.668 1.00 73.42 H new ATOM 0 HG3 PRO A 107 -13.336 8.939 4.341 1.00 73.42 H new ATOM 0 HD2 PRO A 107 -11.555 10.107 5.999 1.00 15.22 H new ATOM 0 HD3 PRO A 107 -12.896 11.028 5.348 1.00 15.22 H new ATOM 1731 N LEU A 108 -14.200 8.912 9.794 1.00 62.14 N ATOM 1732 CA LEU A 108 -13.645 8.213 10.963 1.00 11.55 C ATOM 1733 C LEU A 108 -14.017 6.718 11.041 1.00 60.14 C ATOM 1734 O LEU A 108 -15.148 6.357 11.375 1.00 2.32 O ATOM 1735 CB LEU A 108 -14.084 8.958 12.245 1.00 30.52 C ATOM 1736 CG LEU A 108 -13.240 8.719 13.520 1.00 21.35 C ATOM 1737 CD1 LEU A 108 -13.531 7.359 14.146 1.00 73.04 C ATOM 1738 CD2 LEU A 108 -11.751 8.866 13.210 1.00 64.10 C ATOM 0 H LEU A 108 -14.566 9.837 10.017 1.00 62.14 H new ATOM 0 HA LEU A 108 -12.560 8.228 10.861 1.00 11.55 H new ATOM 0 HB2 LEU A 108 -14.082 10.027 12.033 1.00 30.52 H new ATOM 0 HB3 LEU A 108 -15.115 8.678 12.463 1.00 30.52 H new ATOM 0 HG LEU A 108 -13.522 9.478 14.250 1.00 21.35 H new ATOM 0 HD11 LEU A 108 -12.918 7.231 15.038 1.00 73.04 H new ATOM 0 HD12 LEU A 108 -14.585 7.302 14.418 1.00 73.04 H new ATOM 0 HD13 LEU A 108 -13.298 6.571 13.429 1.00 73.04 H new ATOM 0 HD21 LEU A 108 -11.172 8.695 14.117 1.00 64.10 H new ATOM 0 HD22 LEU A 108 -11.463 8.137 12.453 1.00 64.10 H new ATOM 0 HD23 LEU A 108 -11.554 9.872 12.838 1.00 64.10 H new ATOM 1750 N GLU A 109 -13.050 5.863 10.696 1.00 50.14 N ATOM 1751 CA GLU A 109 -13.111 4.432 11.013 1.00 43.31 C ATOM 1752 C GLU A 109 -12.018 4.087 12.040 1.00 43.51 C ATOM 1753 O GLU A 109 -11.004 3.475 11.699 1.00 20.30 O ATOM 1754 CB GLU A 109 -12.945 3.563 9.752 1.00 20.22 C ATOM 1755 CG GLU A 109 -14.081 3.688 8.739 1.00 63.13 C ATOM 1756 CD GLU A 109 -14.008 2.630 7.646 1.00 5.32 C ATOM 1757 OE1 GLU A 109 -14.575 1.529 7.840 1.00 54.15 O ATOM 1758 OE2 GLU A 109 -13.389 2.886 6.593 1.00 34.52 O ATOM 0 H GLU A 109 -12.208 6.140 10.192 1.00 50.14 H new ATOM 0 HA GLU A 109 -14.094 4.218 11.433 1.00 43.31 H new ATOM 0 HB2 GLU A 109 -12.009 3.831 9.263 1.00 20.22 H new ATOM 0 HB3 GLU A 109 -12.859 2.519 10.055 1.00 20.22 H new ATOM 0 HG2 GLU A 109 -15.036 3.605 9.257 1.00 63.13 H new ATOM 0 HG3 GLU A 109 -14.050 4.678 8.284 1.00 63.13 H new ATOM 1765 N HIS A 110 -12.237 4.507 13.292 1.00 65.24 N ATOM 1766 CA HIS A 110 -11.258 4.343 14.390 1.00 1.31 C ATOM 1767 C HIS A 110 -10.022 5.266 14.229 1.00 22.31 C ATOM 1768 O HIS A 110 -10.040 6.392 14.781 1.00 38.42 O ATOM 1769 CB HIS A 110 -10.824 2.875 14.534 1.00 43.11 C ATOM 1770 CG HIS A 110 -11.934 1.968 14.967 1.00 3.00 C ATOM 1771 ND1 HIS A 110 -11.900 1.236 16.133 1.00 12.53 N ATOM 1772 CD2 HIS A 110 -13.120 1.676 14.383 1.00 60.53 C ATOM 1773 CE1 HIS A 110 -13.009 0.538 16.246 1.00 51.00 C ATOM 1774 NE2 HIS A 110 -13.768 0.786 15.201 1.00 20.41 N ATOM 0 H HIS A 110 -13.098 4.972 13.580 1.00 65.24 H new ATOM 0 HA HIS A 110 -11.767 4.646 15.305 1.00 1.31 H new ATOM 0 HB2 HIS A 110 -10.430 2.525 13.580 1.00 43.11 H new ATOM 0 HB3 HIS A 110 -10.011 2.813 15.257 1.00 43.11 H new ATOM 0 HD2 HIS A 110 -13.487 2.070 13.447 1.00 60.53 H new ATOM 0 HE1 HIS A 110 -13.255 -0.127 17.060 1.00 51.00 H new ATOM 0 HE2 HIS A 110 -14.688 0.382 15.027 1.00 20.41 H new TER 1783 HIS A 110