USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HD1:sc= 0 X(o=0,f=0.16) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot 162:sc= 0.907 USER MOD Set 2.2: A 36 ASN : amide:sc= -4.87! C(o=-4!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 12:sc= 0.63 USER MOD Single : A 26 GLN : amide:sc=-0.00641 X(o=-0.0064,f=-0.0079) USER MOD Single : A 28 CYS SG : rot 9:sc= 0.428 USER MOD Single : A 37 SER OG : rot -21:sc= -3.78! USER MOD Single : A 38 ASN : amide:sc= -5.07! C(o=-5.1!,f=-7!) USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= 0.977 (180deg=-0.214!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.744 F(o=-2.9!,f=-0.74) USER MOD Single : A 47 SER OG : rot -32:sc= 0.932 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -0.404 (180deg=-1.51!) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -2.09 F(o=-3.3!,f=-2.1) USER MOD Single : A 52 CYS SG : rot -99:sc= -10.8! USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 73 SER OG : rot 147:sc= 0.0246 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 81 SER OG : rot 86:sc= 0.655 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.035 -11.409 -8.791 1.00 0.00 N ATOM 2 CA GLY A 1 -26.286 -11.409 -10.036 1.00 0.00 C ATOM 3 C GLY A 1 -24.977 -10.632 -9.889 1.00 0.00 C ATOM 4 O GLY A 1 -23.895 -11.196 -10.050 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.919 -11.943 -8.917 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.466 -11.854 -8.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.258 -10.430 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.072 -12.435 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.890 -10.965 -10.828 1.00 0.00 H new ATOM 8 N SER A 2 -25.117 -9.350 -9.585 1.00 0.00 N ATOM 9 CA SER A 2 -23.958 -8.490 -9.414 1.00 0.00 C ATOM 10 C SER A 2 -23.997 -7.827 -8.036 1.00 0.00 C ATOM 11 O SER A 2 -25.040 -7.805 -7.384 1.00 0.00 O ATOM 12 CB SER A 2 -23.895 -7.428 -10.513 1.00 0.00 C ATOM 13 OG SER A 2 -24.791 -6.348 -10.264 1.00 0.00 O ATOM 0 H SER A 2 -26.016 -8.886 -9.453 1.00 0.00 H new ATOM 0 HA SER A 2 -23.061 -9.105 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.877 -7.045 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.136 -7.885 -11.473 1.00 0.00 H new ATOM 0 HG SER A 2 -24.720 -5.690 -10.987 1.00 0.00 H new ATOM 19 N SER A 3 -22.849 -7.304 -7.634 1.00 0.00 N ATOM 20 CA SER A 3 -22.739 -6.642 -6.345 1.00 0.00 C ATOM 21 C SER A 3 -21.688 -5.532 -6.415 1.00 0.00 C ATOM 22 O SER A 3 -20.948 -5.434 -7.392 1.00 0.00 O ATOM 23 CB SER A 3 -22.383 -7.641 -5.242 1.00 0.00 C ATOM 24 OG SER A 3 -21.275 -8.462 -5.602 1.00 0.00 O ATOM 0 H SER A 3 -21.986 -7.325 -8.178 1.00 0.00 H new ATOM 0 HA SER A 3 -23.707 -6.203 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.151 -7.100 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.247 -8.271 -5.031 1.00 0.00 H new ATOM 0 HG SER A 3 -21.078 -9.085 -4.871 1.00 0.00 H new ATOM 30 N GLY A 4 -21.657 -4.724 -5.365 1.00 0.00 N ATOM 31 CA GLY A 4 -20.709 -3.625 -5.295 1.00 0.00 C ATOM 32 C GLY A 4 -20.251 -3.387 -3.855 1.00 0.00 C ATOM 33 O GLY A 4 -20.575 -4.166 -2.960 1.00 0.00 O ATOM 0 H GLY A 4 -22.273 -4.809 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.846 -3.844 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.168 -2.718 -5.689 1.00 0.00 H new ATOM 37 N SER A 5 -19.503 -2.308 -3.676 1.00 0.00 N ATOM 38 CA SER A 5 -18.997 -1.958 -2.360 1.00 0.00 C ATOM 39 C SER A 5 -18.340 -0.576 -2.403 1.00 0.00 C ATOM 40 O SER A 5 -17.477 -0.320 -3.241 1.00 0.00 O ATOM 41 CB SER A 5 -18.000 -3.004 -1.858 1.00 0.00 C ATOM 42 OG SER A 5 -18.084 -3.187 -0.447 1.00 0.00 O ATOM 0 H SER A 5 -19.235 -1.665 -4.421 1.00 0.00 H new ATOM 0 HA SER A 5 -19.837 -1.933 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.188 -3.954 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.988 -2.698 -2.124 1.00 0.00 H new ATOM 0 HG SER A 5 -17.433 -3.864 -0.166 1.00 0.00 H new ATOM 48 N SER A 6 -18.775 0.278 -1.488 1.00 0.00 N ATOM 49 CA SER A 6 -18.240 1.627 -1.410 1.00 0.00 C ATOM 50 C SER A 6 -17.840 1.949 0.031 1.00 0.00 C ATOM 51 O SER A 6 -18.206 1.227 0.957 1.00 0.00 O ATOM 52 CB SER A 6 -19.255 2.652 -1.921 1.00 0.00 C ATOM 53 OG SER A 6 -18.945 3.100 -3.237 1.00 0.00 O ATOM 0 H SER A 6 -19.491 0.062 -0.795 1.00 0.00 H new ATOM 0 HA SER A 6 -17.357 1.682 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.251 2.210 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.280 3.506 -1.244 1.00 0.00 H new ATOM 0 HG SER A 6 -19.617 3.752 -3.528 1.00 0.00 H new ATOM 59 N GLY A 7 -17.094 3.035 0.176 1.00 0.00 N ATOM 60 CA GLY A 7 -16.640 3.461 1.489 1.00 0.00 C ATOM 61 C GLY A 7 -15.383 4.327 1.380 1.00 0.00 C ATOM 62 O GLY A 7 -14.834 4.496 0.292 1.00 0.00 O ATOM 0 H GLY A 7 -16.793 3.632 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.431 4.022 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.432 2.588 2.107 1.00 0.00 H new ATOM 66 N VAL A 8 -14.964 4.851 2.522 1.00 0.00 N ATOM 67 CA VAL A 8 -13.782 5.695 2.569 1.00 0.00 C ATOM 68 C VAL A 8 -12.998 5.396 3.848 1.00 0.00 C ATOM 69 O VAL A 8 -13.398 5.806 4.936 1.00 0.00 O ATOM 70 CB VAL A 8 -14.184 7.166 2.444 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.196 7.608 0.979 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.539 7.422 3.106 1.00 0.00 C ATOM 0 H VAL A 8 -15.422 4.708 3.422 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.125 5.479 1.727 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.438 7.763 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.485 8.657 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.201 7.480 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.910 7.002 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.801 8.475 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.301 6.809 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.482 7.164 4.164 1.00 0.00 H new ATOM 82 N SER A 9 -11.894 4.683 3.675 1.00 0.00 N ATOM 83 CA SER A 9 -11.050 4.325 4.802 1.00 0.00 C ATOM 84 C SER A 9 -10.161 5.509 5.188 1.00 0.00 C ATOM 85 O SER A 9 -9.242 5.865 4.453 1.00 0.00 O ATOM 86 CB SER A 9 -10.192 3.100 4.479 1.00 0.00 C ATOM 87 OG SER A 9 -10.986 1.952 4.193 1.00 0.00 O ATOM 0 H SER A 9 -11.565 4.344 2.771 1.00 0.00 H new ATOM 0 HA SER A 9 -11.694 4.073 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.553 3.321 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.535 2.885 5.322 1.00 0.00 H new ATOM 0 HG SER A 9 -10.401 1.192 3.990 1.00 0.00 H new ATOM 93 N GLY A 10 -10.468 6.086 6.340 1.00 0.00 N ATOM 94 CA GLY A 10 -9.708 7.223 6.833 1.00 0.00 C ATOM 95 C GLY A 10 -10.585 8.138 7.690 1.00 0.00 C ATOM 96 O GLY A 10 -11.363 8.931 7.162 1.00 0.00 O ATOM 0 H GLY A 10 -11.232 5.788 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.860 6.871 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.302 7.786 5.992 1.00 0.00 H new ATOM 100 N ARG A 11 -10.429 7.998 8.998 1.00 0.00 N ATOM 101 CA ARG A 11 -11.197 8.803 9.933 1.00 0.00 C ATOM 102 C ARG A 11 -10.285 9.807 10.642 1.00 0.00 C ATOM 103 O ARG A 11 -10.591 10.997 10.697 1.00 0.00 O ATOM 104 CB ARG A 11 -11.886 7.924 10.979 1.00 0.00 C ATOM 105 CG ARG A 11 -13.222 8.532 11.411 1.00 0.00 C ATOM 106 CD ARG A 11 -14.218 7.441 11.808 1.00 0.00 C ATOM 107 NE ARG A 11 -15.120 7.940 12.870 1.00 0.00 N ATOM 108 CZ ARG A 11 -16.133 7.233 13.389 1.00 0.00 C ATOM 109 NH1 ARG A 11 -16.381 5.993 12.946 1.00 0.00 N ATOM 110 NH2 ARG A 11 -16.899 7.767 14.350 1.00 0.00 N ATOM 0 H ARG A 11 -9.782 7.340 9.433 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.958 9.337 9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.051 6.927 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.237 7.809 11.847 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.063 9.208 12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.635 9.127 10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.801 7.135 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.683 6.559 12.159 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.960 8.881 13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.799 5.587 12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.152 5.455 13.341 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.711 8.711 14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.670 7.229 14.745 1.00 0.00 H new ATOM 124 N GLU A 12 -9.184 9.290 11.167 1.00 0.00 N ATOM 125 CA GLU A 12 -8.226 10.127 11.870 1.00 0.00 C ATOM 126 C GLU A 12 -6.954 9.334 12.178 1.00 0.00 C ATOM 127 O GLU A 12 -6.985 8.106 12.246 1.00 0.00 O ATOM 128 CB GLU A 12 -8.837 10.702 13.149 1.00 0.00 C ATOM 129 CG GLU A 12 -9.091 9.600 14.180 1.00 0.00 C ATOM 130 CD GLU A 12 -9.986 10.105 15.313 1.00 0.00 C ATOM 131 OE1 GLU A 12 -9.438 10.780 16.212 1.00 0.00 O ATOM 132 OE2 GLU A 12 -11.198 9.805 15.255 1.00 0.00 O ATOM 0 H GLU A 12 -8.934 8.302 11.120 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.961 10.964 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.168 11.452 13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.774 11.207 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.561 8.744 13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.142 9.253 14.589 1.00 0.00 H new ATOM 139 N PRO A 13 -5.837 10.088 12.360 1.00 0.00 N ATOM 140 CA PRO A 13 -4.557 9.469 12.659 1.00 0.00 C ATOM 141 C PRO A 13 -4.508 8.983 14.109 1.00 0.00 C ATOM 142 O PRO A 13 -4.240 9.765 15.020 1.00 0.00 O ATOM 143 CB PRO A 13 -3.522 10.540 12.355 1.00 0.00 C ATOM 144 CG PRO A 13 -4.277 11.859 12.345 1.00 0.00 C ATOM 145 CD PRO A 13 -5.763 11.544 12.287 1.00 0.00 C ATOM 0 HA PRO A 13 -4.372 8.575 12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.734 10.547 13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.042 10.357 11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.044 12.439 13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.981 12.462 11.487 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.299 12.010 13.114 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.211 11.918 11.366 1.00 0.00 H new ATOM 153 N SER A 14 -4.771 7.696 14.278 1.00 0.00 N ATOM 154 CA SER A 14 -4.760 7.097 15.601 1.00 0.00 C ATOM 155 C SER A 14 -3.358 6.581 15.931 1.00 0.00 C ATOM 156 O SER A 14 -2.746 7.014 16.906 1.00 0.00 O ATOM 157 CB SER A 14 -5.780 5.961 15.701 1.00 0.00 C ATOM 158 OG SER A 14 -6.727 6.184 16.742 1.00 0.00 O ATOM 0 H SER A 14 -4.993 7.051 13.520 1.00 0.00 H new ATOM 0 HA SER A 14 -5.038 7.863 16.324 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.304 5.859 14.750 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.259 5.021 15.880 1.00 0.00 H new ATOM 0 HG SER A 14 -7.362 5.438 16.772 1.00 0.00 H new ATOM 164 N SER A 15 -2.889 5.662 15.098 1.00 0.00 N ATOM 165 CA SER A 15 -1.571 5.083 15.289 1.00 0.00 C ATOM 166 C SER A 15 -0.496 6.050 14.787 1.00 0.00 C ATOM 167 O SER A 15 -0.806 7.032 14.115 1.00 0.00 O ATOM 168 CB SER A 15 -1.451 3.737 14.570 1.00 0.00 C ATOM 169 OG SER A 15 -2.722 3.126 14.366 1.00 0.00 O ATOM 0 H SER A 15 -3.399 5.305 14.290 1.00 0.00 H new ATOM 0 HA SER A 15 -1.425 4.910 16.355 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.960 3.882 13.608 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.817 3.069 15.154 1.00 0.00 H new ATOM 0 HG SER A 15 -2.646 2.435 13.675 1.00 0.00 H new ATOM 175 N ARG A 16 0.744 5.737 15.133 1.00 0.00 N ATOM 176 CA ARG A 16 1.866 6.566 14.726 1.00 0.00 C ATOM 177 C ARG A 16 2.112 6.425 13.223 1.00 0.00 C ATOM 178 O ARG A 16 2.505 5.359 12.752 1.00 0.00 O ATOM 179 CB ARG A 16 3.138 6.181 15.483 1.00 0.00 C ATOM 180 CG ARG A 16 3.592 7.314 16.405 1.00 0.00 C ATOM 181 CD ARG A 16 4.888 7.950 15.896 1.00 0.00 C ATOM 182 NE ARG A 16 4.818 9.422 16.035 1.00 0.00 N ATOM 183 CZ ARG A 16 5.823 10.254 15.731 1.00 0.00 C ATOM 184 NH1 ARG A 16 6.982 9.764 15.269 1.00 0.00 N ATOM 185 NH2 ARG A 16 5.671 11.576 15.889 1.00 0.00 N ATOM 0 H ARG A 16 0.996 4.921 15.690 1.00 0.00 H new ATOM 0 HA ARG A 16 1.617 7.601 14.961 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.958 5.280 16.070 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.931 5.946 14.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.811 8.072 16.467 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.743 6.929 17.413 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.738 7.563 16.458 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.048 7.682 14.852 1.00 0.00 H new ATOM 0 HE ARG A 16 3.950 9.828 16.384 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.099 8.758 15.149 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.747 10.397 15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.790 11.950 16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.437 12.209 15.657 1.00 0.00 H new ATOM 199 N ILE A 17 1.871 7.517 12.511 1.00 0.00 N ATOM 200 CA ILE A 17 2.062 7.528 11.071 1.00 0.00 C ATOM 201 C ILE A 17 3.560 7.538 10.759 1.00 0.00 C ATOM 202 O ILE A 17 4.358 8.041 11.548 1.00 0.00 O ATOM 203 CB ILE A 17 1.295 8.691 10.438 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.144 8.745 10.956 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.351 8.618 8.911 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.068 7.877 10.100 1.00 0.00 C ATOM 0 H ILE A 17 1.545 8.400 12.905 1.00 0.00 H new ATOM 0 HA ILE A 17 1.649 6.623 10.625 1.00 0.00 H new ATOM 0 HB ILE A 17 1.780 9.621 10.734 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.175 8.404 11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.498 9.776 10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.798 9.456 8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.389 8.664 8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.905 7.682 8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.084 7.933 10.490 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.054 8.236 9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.725 6.843 10.129 1.00 0.00 H new ATOM 218 N ILE A 18 3.896 6.976 9.607 1.00 0.00 N ATOM 219 CA ILE A 18 5.284 6.914 9.182 1.00 0.00 C ATOM 220 C ILE A 18 5.381 7.328 7.712 1.00 0.00 C ATOM 221 O ILE A 18 4.407 7.225 6.969 1.00 0.00 O ATOM 222 CB ILE A 18 5.872 5.531 9.471 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.996 4.427 8.874 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.098 5.335 10.972 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.774 3.116 8.753 1.00 0.00 C ATOM 0 H ILE A 18 3.231 6.560 8.955 1.00 0.00 H new ATOM 0 HA ILE A 18 5.889 7.618 9.753 1.00 0.00 H new ATOM 0 HB ILE A 18 6.846 5.466 8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.117 4.276 9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.638 4.734 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.516 4.344 11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.791 6.093 11.338 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.148 5.428 11.498 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.129 2.348 8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.639 3.264 8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.110 2.800 9.741 1.00 0.00 H new ATOM 237 N ARG A 19 6.566 7.788 7.337 1.00 0.00 N ATOM 238 CA ARG A 19 6.803 8.218 5.970 1.00 0.00 C ATOM 239 C ARG A 19 7.378 7.066 5.143 1.00 0.00 C ATOM 240 O ARG A 19 8.562 6.749 5.253 1.00 0.00 O ATOM 241 CB ARG A 19 7.771 9.402 5.925 1.00 0.00 C ATOM 242 CG ARG A 19 8.215 9.693 4.490 1.00 0.00 C ATOM 243 CD ARG A 19 8.976 11.018 4.410 1.00 0.00 C ATOM 244 NE ARG A 19 10.434 10.768 4.458 1.00 0.00 N ATOM 245 CZ ARG A 19 11.362 11.735 4.488 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.989 13.021 4.474 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.662 11.414 4.531 1.00 0.00 N ATOM 0 H ARG A 19 7.372 7.872 7.956 1.00 0.00 H new ATOM 0 HA ARG A 19 5.847 8.529 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.291 10.285 6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.643 9.187 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.849 8.883 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.344 9.730 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.718 11.540 3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.682 11.666 5.236 1.00 0.00 H new ATOM 0 HE ARG A 19 10.753 9.799 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.999 13.265 4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.695 13.757 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.945 10.434 4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.368 12.149 4.554 1.00 0.00 H new ATOM 261 N VAL A 20 6.514 6.471 4.334 1.00 0.00 N ATOM 262 CA VAL A 20 6.921 5.361 3.490 1.00 0.00 C ATOM 263 C VAL A 20 7.078 5.853 2.049 1.00 0.00 C ATOM 264 O VAL A 20 6.108 6.285 1.428 1.00 0.00 O ATOM 265 CB VAL A 20 5.923 4.209 3.622 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.263 3.075 2.652 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.864 3.698 5.063 1.00 0.00 C ATOM 0 H VAL A 20 5.533 6.737 4.245 1.00 0.00 H new ATOM 0 HA VAL A 20 7.888 4.973 3.809 1.00 0.00 H new ATOM 0 HB VAL A 20 4.936 4.589 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.538 2.269 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.231 3.449 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.262 2.698 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.147 2.879 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.850 3.343 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.553 4.507 5.724 1.00 0.00 H new ATOM 277 N SER A 21 8.307 5.771 1.560 1.00 0.00 N ATOM 278 CA SER A 21 8.603 6.203 0.205 1.00 0.00 C ATOM 279 C SER A 21 8.085 5.170 -0.798 1.00 0.00 C ATOM 280 O SER A 21 8.620 4.066 -0.890 1.00 0.00 O ATOM 281 CB SER A 21 10.105 6.422 0.013 1.00 0.00 C ATOM 282 OG SER A 21 10.535 7.670 0.549 1.00 0.00 O ATOM 0 H SER A 21 9.109 5.412 2.078 1.00 0.00 H new ATOM 0 HA SER A 21 8.099 7.154 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.654 5.612 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.344 6.382 -1.050 1.00 0.00 H new ATOM 0 HG SER A 21 11.500 7.772 0.408 1.00 0.00 H new ATOM 288 N VAL A 22 7.050 5.565 -1.524 1.00 0.00 N ATOM 289 CA VAL A 22 6.453 4.688 -2.517 1.00 0.00 C ATOM 290 C VAL A 22 7.171 4.875 -3.854 1.00 0.00 C ATOM 291 O VAL A 22 7.211 5.981 -4.392 1.00 0.00 O ATOM 292 CB VAL A 22 4.947 4.945 -2.605 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.347 4.266 -3.838 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.238 4.490 -1.328 1.00 0.00 C ATOM 0 H VAL A 22 6.609 6.481 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 22 6.574 3.644 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 22 4.795 6.020 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.276 4.464 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.822 4.659 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.515 3.191 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.169 4.684 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.402 3.422 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.637 5.039 -0.475 1.00 0.00 H new ATOM 304 N LYS A 23 7.722 3.778 -4.353 1.00 0.00 N ATOM 305 CA LYS A 23 8.437 3.808 -5.618 1.00 0.00 C ATOM 306 C LYS A 23 7.519 3.295 -6.730 1.00 0.00 C ATOM 307 O LYS A 23 7.090 2.142 -6.703 1.00 0.00 O ATOM 308 CB LYS A 23 9.756 3.041 -5.506 1.00 0.00 C ATOM 309 CG LYS A 23 10.888 3.793 -6.209 1.00 0.00 C ATOM 310 CD LYS A 23 11.425 4.924 -5.329 1.00 0.00 C ATOM 311 CE LYS A 23 12.712 4.502 -4.619 1.00 0.00 C ATOM 312 NZ LYS A 23 13.891 5.098 -5.287 1.00 0.00 N ATOM 0 H LYS A 23 7.688 2.863 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 23 8.711 4.831 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.008 2.896 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.644 2.051 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.695 3.101 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.527 4.202 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.615 5.806 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.673 5.204 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.679 4.817 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.796 3.415 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.757 4.802 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.929 4.777 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.816 6.135 -5.263 1.00 0.00 H new ATOM 326 N THR A 24 7.245 4.176 -7.681 1.00 0.00 N ATOM 327 CA THR A 24 6.387 3.826 -8.800 1.00 0.00 C ATOM 328 C THR A 24 7.202 3.740 -10.091 1.00 0.00 C ATOM 329 O THR A 24 8.291 4.304 -10.181 1.00 0.00 O ATOM 330 CB THR A 24 5.253 4.851 -8.864 1.00 0.00 C ATOM 331 OG1 THR A 24 5.923 6.104 -8.977 1.00 0.00 O ATOM 332 CG2 THR A 24 4.484 4.958 -7.545 1.00 0.00 C ATOM 0 H THR A 24 7.602 5.131 -7.700 1.00 0.00 H new ATOM 0 HA THR A 24 5.945 2.839 -8.666 1.00 0.00 H new ATOM 0 HB THR A 24 4.565 4.580 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.873 5.951 -9.165 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.691 5.699 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.047 3.990 -7.299 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.165 5.261 -6.750 1.00 0.00 H new ATOM 340 N PRO A 25 6.628 3.010 -11.085 1.00 0.00 N ATOM 341 CA PRO A 25 7.290 2.843 -12.368 1.00 0.00 C ATOM 342 C PRO A 25 7.196 4.121 -13.204 1.00 0.00 C ATOM 343 O PRO A 25 6.511 4.150 -14.225 1.00 0.00 O ATOM 344 CB PRO A 25 6.596 1.656 -13.017 1.00 0.00 C ATOM 345 CG PRO A 25 5.274 1.496 -12.285 1.00 0.00 C ATOM 346 CD PRO A 25 5.340 2.328 -11.015 1.00 0.00 C ATOM 0 HA PRO A 25 8.359 2.657 -12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.435 1.831 -14.081 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.202 0.754 -12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.447 1.825 -12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.095 0.448 -12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.517 3.041 -10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.272 1.700 -10.126 1.00 0.00 H new ATOM 354 N GLN A 26 7.895 5.146 -12.740 1.00 0.00 N ATOM 355 CA GLN A 26 7.899 6.424 -13.432 1.00 0.00 C ATOM 356 C GLN A 26 8.497 7.511 -12.537 1.00 0.00 C ATOM 357 O GLN A 26 9.520 8.105 -12.875 1.00 0.00 O ATOM 358 CB GLN A 26 6.489 6.804 -13.890 1.00 0.00 C ATOM 359 CG GLN A 26 6.398 6.837 -15.417 1.00 0.00 C ATOM 360 CD GLN A 26 5.123 7.547 -15.875 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.894 8.712 -15.591 1.00 0.00 O ATOM 362 NE2 GLN A 26 4.308 6.784 -16.597 1.00 0.00 N ATOM 0 H GLN A 26 8.463 5.118 -11.893 1.00 0.00 H new ATOM 0 HA GLN A 26 8.522 6.331 -14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.769 6.087 -13.495 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.222 7.780 -13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.270 7.348 -15.826 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.412 5.820 -15.808 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.560 5.816 -16.798 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.430 7.166 -16.950 1.00 0.00 H new ATOM 371 N ASP A 27 7.833 7.738 -11.413 1.00 0.00 N ATOM 372 CA ASP A 27 8.286 8.743 -10.467 1.00 0.00 C ATOM 373 C ASP A 27 8.318 8.138 -9.062 1.00 0.00 C ATOM 374 O ASP A 27 8.171 6.927 -8.901 1.00 0.00 O ATOM 375 CB ASP A 27 7.339 9.944 -10.443 1.00 0.00 C ATOM 376 CG ASP A 27 8.018 11.300 -10.239 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.261 11.336 -10.362 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.278 12.270 -9.965 1.00 0.00 O ATOM 0 H ASP A 27 6.985 7.243 -11.136 1.00 0.00 H new ATOM 0 HA ASP A 27 9.278 9.072 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.785 9.970 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.610 9.796 -9.647 1.00 0.00 H new ATOM 383 N CYS A 28 8.510 9.008 -8.081 1.00 0.00 N ATOM 384 CA CYS A 28 8.562 8.574 -6.696 1.00 0.00 C ATOM 385 C CYS A 28 7.583 9.428 -5.887 1.00 0.00 C ATOM 386 O CYS A 28 7.417 10.616 -6.162 1.00 0.00 O ATOM 387 CB CYS A 28 9.983 8.647 -6.133 1.00 0.00 C ATOM 388 SG CYS A 28 10.419 10.385 -5.760 1.00 0.00 S ATOM 0 H CYS A 28 8.631 10.011 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 28 8.269 7.526 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.056 8.043 -5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.690 8.232 -6.852 1.00 0.00 H new ATOM 0 HG CYS A 28 9.361 11.132 -5.874 1.00 0.00 H new ATOM 394 N HIS A 29 6.961 8.791 -4.907 1.00 0.00 N ATOM 395 CA HIS A 29 6.003 9.477 -4.057 1.00 0.00 C ATOM 396 C HIS A 29 6.170 9.007 -2.611 1.00 0.00 C ATOM 397 O HIS A 29 6.683 7.916 -2.365 1.00 0.00 O ATOM 398 CB HIS A 29 4.578 9.288 -4.581 1.00 0.00 C ATOM 399 CG HIS A 29 3.685 10.490 -4.381 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.555 11.492 -5.327 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.881 10.838 -3.336 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.708 12.398 -4.861 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.292 11.992 -3.627 1.00 0.00 N ATOM 0 H HIS A 29 7.102 7.806 -4.682 1.00 0.00 H new ATOM 0 HA HIS A 29 6.196 10.550 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.621 9.053 -5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.130 8.428 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.746 10.271 -2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.401 13.300 -5.369 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.637 12.492 -3.027 1.00 0.00 H new ATOM 411 N GLU A 30 5.727 9.853 -1.692 1.00 0.00 N ATOM 412 CA GLU A 30 5.822 9.537 -0.277 1.00 0.00 C ATOM 413 C GLU A 30 4.425 9.450 0.341 1.00 0.00 C ATOM 414 O GLU A 30 3.623 10.372 0.203 1.00 0.00 O ATOM 415 CB GLU A 30 6.684 10.565 0.458 1.00 0.00 C ATOM 416 CG GLU A 30 6.007 11.937 0.474 1.00 0.00 C ATOM 417 CD GLU A 30 6.995 13.041 0.095 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.963 13.225 0.864 1.00 0.00 O ATOM 419 OE2 GLU A 30 6.761 13.677 -0.956 1.00 0.00 O ATOM 0 H GLU A 30 5.302 10.756 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 30 6.306 8.566 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.862 10.231 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.657 10.641 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.168 11.940 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.599 12.134 1.466 1.00 0.00 H new ATOM 426 N PHE A 31 4.177 8.334 1.010 1.00 0.00 N ATOM 427 CA PHE A 31 2.891 8.114 1.650 1.00 0.00 C ATOM 428 C PHE A 31 3.036 8.081 3.173 1.00 0.00 C ATOM 429 O PHE A 31 4.016 7.553 3.696 1.00 0.00 O ATOM 430 CB PHE A 31 2.377 6.756 1.168 1.00 0.00 C ATOM 431 CG PHE A 31 1.743 6.789 -0.224 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.497 7.119 -1.307 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.426 6.489 -0.378 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.909 7.149 -2.599 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.163 6.520 -1.670 1.00 0.00 C ATOM 436 CZ PHE A 31 0.591 6.849 -2.753 1.00 0.00 C ATOM 0 H PHE A 31 4.845 7.572 1.123 1.00 0.00 H new ATOM 0 HA PHE A 31 2.205 8.922 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.205 6.047 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.643 6.383 1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.543 7.358 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.172 6.227 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.508 7.410 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.209 6.282 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.143 6.872 -3.736 1.00 0.00 H new ATOM 446 N PHE A 32 2.044 8.651 3.842 1.00 0.00 N ATOM 447 CA PHE A 32 2.049 8.693 5.295 1.00 0.00 C ATOM 448 C PHE A 32 0.804 8.010 5.867 1.00 0.00 C ATOM 449 O PHE A 32 -0.281 8.590 5.868 1.00 0.00 O ATOM 450 CB PHE A 32 2.038 10.168 5.700 1.00 0.00 C ATOM 451 CG PHE A 32 3.416 10.832 5.666 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.061 11.001 4.480 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.996 11.255 6.821 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.339 11.617 4.448 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.275 11.871 6.789 1.00 0.00 C ATOM 456 CZ PHE A 32 5.920 12.039 5.604 1.00 0.00 C ATOM 0 H PHE A 32 1.232 9.087 3.405 1.00 0.00 H new ATOM 0 HA PHE A 32 2.926 8.172 5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.367 10.712 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.629 10.255 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.600 10.666 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.484 11.122 7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.851 11.751 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.736 12.206 7.706 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.893 12.507 5.580 1.00 0.00 H new ATOM 466 N LEU A 33 1.003 6.788 6.339 1.00 0.00 N ATOM 467 CA LEU A 33 -0.090 6.021 6.912 1.00 0.00 C ATOM 468 C LEU A 33 0.383 5.358 8.208 1.00 0.00 C ATOM 469 O LEU A 33 1.582 5.294 8.475 1.00 0.00 O ATOM 470 CB LEU A 33 -0.648 5.034 5.885 1.00 0.00 C ATOM 471 CG LEU A 33 0.266 3.864 5.513 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.661 4.360 5.127 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.316 2.828 6.638 1.00 0.00 C ATOM 0 H LEU A 33 1.904 6.310 6.336 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.920 6.677 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.584 4.630 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.889 5.584 4.975 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.153 3.368 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.291 3.509 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.585 5.030 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.103 4.895 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.972 2.007 6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.698 3.295 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.687 2.443 6.823 1.00 0.00 H new ATOM 485 N ALA A 34 -0.584 4.882 8.978 1.00 0.00 N ATOM 486 CA ALA A 34 -0.282 4.227 10.239 1.00 0.00 C ATOM 487 C ALA A 34 0.754 3.126 10.002 1.00 0.00 C ATOM 488 O ALA A 34 0.568 2.269 9.140 1.00 0.00 O ATOM 489 CB ALA A 34 -1.573 3.689 10.858 1.00 0.00 C ATOM 0 H ALA A 34 -1.577 4.937 8.753 1.00 0.00 H new ATOM 0 HA ALA A 34 0.147 4.937 10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.346 3.198 11.804 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.263 4.514 11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.031 2.971 10.177 1.00 0.00 H new ATOM 495 N GLU A 35 1.824 3.186 10.782 1.00 0.00 N ATOM 496 CA GLU A 35 2.889 2.205 10.667 1.00 0.00 C ATOM 497 C GLU A 35 2.362 0.808 11.001 1.00 0.00 C ATOM 498 O GLU A 35 2.929 -0.194 10.566 1.00 0.00 O ATOM 499 CB GLU A 35 4.072 2.573 11.564 1.00 0.00 C ATOM 500 CG GLU A 35 3.701 2.442 13.043 1.00 0.00 C ATOM 501 CD GLU A 35 4.920 2.049 13.881 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.924 2.788 13.803 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.818 1.018 14.581 1.00 0.00 O ATOM 0 H GLU A 35 1.976 3.899 11.496 1.00 0.00 H new ATOM 0 HA GLU A 35 3.244 2.202 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.919 1.925 11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.388 3.595 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.296 3.387 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.918 1.693 13.160 1.00 0.00 H new ATOM 510 N ASN A 36 1.284 0.785 11.771 1.00 0.00 N ATOM 511 CA ASN A 36 0.674 -0.473 12.167 1.00 0.00 C ATOM 512 C ASN A 36 -0.530 -0.758 11.267 1.00 0.00 C ATOM 513 O ASN A 36 -1.544 -1.280 11.728 1.00 0.00 O ATOM 514 CB ASN A 36 0.180 -0.413 13.614 1.00 0.00 C ATOM 515 CG ASN A 36 -0.812 0.736 13.807 1.00 0.00 C ATOM 516 OD1 ASN A 36 -1.079 1.517 12.909 1.00 0.00 O ATOM 517 ND2 ASN A 36 -1.342 0.794 15.025 1.00 0.00 N ATOM 0 H ASN A 36 0.817 1.617 12.131 1.00 0.00 H new ATOM 0 HA ASN A 36 1.426 -1.256 12.074 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.296 -1.357 13.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.028 -0.283 14.287 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.016 1.525 15.254 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.074 0.108 15.731 1.00 0.00 H new ATOM 524 N SER A 37 -0.378 -0.402 10.000 1.00 0.00 N ATOM 525 CA SER A 37 -1.441 -0.612 9.032 1.00 0.00 C ATOM 526 C SER A 37 -1.107 -1.811 8.142 1.00 0.00 C ATOM 527 O SER A 37 -0.179 -1.752 7.337 1.00 0.00 O ATOM 528 CB SER A 37 -1.663 0.638 8.177 1.00 0.00 C ATOM 529 OG SER A 37 -2.361 1.655 8.891 1.00 0.00 O ATOM 0 H SER A 37 0.465 0.030 9.621 1.00 0.00 H new ATOM 0 HA SER A 37 -2.364 -0.816 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.700 1.025 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.226 0.371 7.283 1.00 0.00 H new ATOM 0 HG SER A 37 -2.846 1.253 9.642 1.00 0.00 H new ATOM 535 N ASN A 38 -1.883 -2.871 8.316 1.00 0.00 N ATOM 536 CA ASN A 38 -1.681 -4.082 7.539 1.00 0.00 C ATOM 537 C ASN A 38 -1.338 -3.705 6.096 1.00 0.00 C ATOM 538 O ASN A 38 -1.784 -2.673 5.597 1.00 0.00 O ATOM 539 CB ASN A 38 -2.949 -4.938 7.515 1.00 0.00 C ATOM 540 CG ASN A 38 -4.203 -4.062 7.508 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.464 -3.300 8.424 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.962 -4.212 6.426 1.00 0.00 N ATOM 0 H ASN A 38 -2.653 -2.916 8.984 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.872 -4.648 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.943 -5.578 6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.965 -5.595 8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.821 -3.671 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.685 -4.868 5.696 1.00 0.00 H new ATOM 549 N VAL A 39 -0.547 -4.562 5.466 1.00 0.00 N ATOM 550 CA VAL A 39 -0.139 -4.333 4.091 1.00 0.00 C ATOM 551 C VAL A 39 -1.346 -3.862 3.277 1.00 0.00 C ATOM 552 O VAL A 39 -1.247 -2.905 2.510 1.00 0.00 O ATOM 553 CB VAL A 39 0.511 -5.595 3.520 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.555 -5.545 1.992 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.911 -5.802 4.103 1.00 0.00 C ATOM 0 H VAL A 39 -0.178 -5.416 5.883 1.00 0.00 H new ATOM 0 HA VAL A 39 0.613 -3.546 4.043 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.102 -6.449 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.022 -6.454 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.460 -5.467 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.134 -4.679 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.351 -6.706 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.538 -4.945 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.843 -5.904 5.186 1.00 0.00 H new ATOM 565 N ARG A 40 -2.458 -4.555 3.472 1.00 0.00 N ATOM 566 CA ARG A 40 -3.683 -4.220 2.766 1.00 0.00 C ATOM 567 C ARG A 40 -3.958 -2.718 2.863 1.00 0.00 C ATOM 568 O ARG A 40 -3.886 -2.004 1.865 1.00 0.00 O ATOM 569 CB ARG A 40 -4.876 -4.988 3.337 1.00 0.00 C ATOM 570 CG ARG A 40 -5.781 -5.507 2.217 1.00 0.00 C ATOM 571 CD ARG A 40 -7.254 -5.429 2.622 1.00 0.00 C ATOM 572 NE ARG A 40 -8.041 -6.426 1.863 1.00 0.00 N ATOM 573 CZ ARG A 40 -8.527 -6.219 0.632 1.00 0.00 C ATOM 574 NH1 ARG A 40 -8.309 -5.051 0.012 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.231 -7.181 0.019 1.00 0.00 N ATOM 0 H ARG A 40 -2.536 -5.348 4.109 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.551 -4.502 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.520 -5.824 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.448 -4.338 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.618 -4.922 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.519 -6.538 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.356 -5.611 3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.640 -4.427 2.431 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.225 -7.327 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.773 -4.319 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.679 -4.894 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.397 -8.071 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.601 -7.023 -0.918 1.00 0.00 H new ATOM 589 N ARG A 41 -4.266 -2.283 4.076 1.00 0.00 N ATOM 590 CA ARG A 41 -4.552 -0.879 4.318 1.00 0.00 C ATOM 591 C ARG A 41 -3.618 0.003 3.488 1.00 0.00 C ATOM 592 O ARG A 41 -4.076 0.832 2.702 1.00 0.00 O ATOM 593 CB ARG A 41 -4.390 -0.531 5.799 1.00 0.00 C ATOM 594 CG ARG A 41 -5.631 -0.935 6.596 1.00 0.00 C ATOM 595 CD ARG A 41 -5.954 0.104 7.672 1.00 0.00 C ATOM 596 NE ARG A 41 -7.170 -0.298 8.414 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.420 -0.070 7.988 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.627 0.557 6.822 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.463 -0.470 8.728 1.00 0.00 N ATOM 0 H ARG A 41 -4.324 -2.878 4.902 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.586 -0.696 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.514 -1.039 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.216 0.540 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.481 -1.042 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.468 -1.907 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.114 0.201 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.104 1.081 7.213 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.049 -0.779 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.833 0.861 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.579 0.730 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.305 -0.948 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.415 -0.297 8.404 1.00 0.00 H new ATOM 613 N PHE A 42 -2.325 -0.204 3.690 1.00 0.00 N ATOM 614 CA PHE A 42 -1.322 0.562 2.970 1.00 0.00 C ATOM 615 C PHE A 42 -1.613 0.571 1.468 1.00 0.00 C ATOM 616 O PHE A 42 -1.486 1.604 0.814 1.00 0.00 O ATOM 617 CB PHE A 42 0.024 -0.123 3.213 1.00 0.00 C ATOM 618 CG PHE A 42 1.220 0.631 2.630 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.088 1.932 2.257 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.417 0.000 2.485 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.198 2.632 1.715 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.527 0.700 1.943 1.00 0.00 C ATOM 623 CZ PHE A 42 3.394 2.001 1.570 1.00 0.00 C ATOM 0 H PHE A 42 -1.949 -0.892 4.343 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.321 1.595 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.171 -0.242 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.006 -1.124 2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.138 2.433 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.523 -1.033 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.093 3.665 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.477 0.199 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.239 2.533 1.158 1.00 0.00 H new ATOM 633 N LYS A 43 -1.997 -0.594 0.965 1.00 0.00 N ATOM 634 CA LYS A 43 -2.306 -0.733 -0.447 1.00 0.00 C ATOM 635 C LYS A 43 -3.465 0.200 -0.806 1.00 0.00 C ATOM 636 O LYS A 43 -3.351 1.014 -1.721 1.00 0.00 O ATOM 637 CB LYS A 43 -2.567 -2.200 -0.797 1.00 0.00 C ATOM 638 CG LYS A 43 -1.321 -3.052 -0.548 1.00 0.00 C ATOM 639 CD LYS A 43 -1.688 -4.532 -0.411 1.00 0.00 C ATOM 640 CE LYS A 43 -1.200 -5.331 -1.621 1.00 0.00 C ATOM 641 NZ LYS A 43 -2.322 -6.073 -2.238 1.00 0.00 N ATOM 0 H LYS A 43 -2.101 -1.449 1.511 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.453 -0.431 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.396 -2.578 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.865 -2.281 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.617 -2.923 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.819 -2.713 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.246 -4.937 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.769 -4.635 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.755 -4.658 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.420 -6.028 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.219 -6.061 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.315 -7.057 -1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.222 -5.623 -1.975 1.00 0.00 H new ATOM 655 N LYS A 44 -4.554 0.050 -0.066 1.00 0.00 N ATOM 656 CA LYS A 44 -5.732 0.869 -0.294 1.00 0.00 C ATOM 657 C LYS A 44 -5.304 2.323 -0.503 1.00 0.00 C ATOM 658 O LYS A 44 -5.744 2.973 -1.451 1.00 0.00 O ATOM 659 CB LYS A 44 -6.742 0.683 0.840 1.00 0.00 C ATOM 660 CG LYS A 44 -7.600 -0.563 0.611 1.00 0.00 C ATOM 661 CD LYS A 44 -8.594 -0.763 1.756 1.00 0.00 C ATOM 662 CE LYS A 44 -9.340 -2.090 1.610 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.803 -1.865 1.602 1.00 0.00 N ATOM 0 H LYS A 44 -4.645 -0.627 0.692 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.245 0.553 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.215 0.597 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.382 1.562 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.140 -0.469 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.958 -1.440 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.065 -0.742 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.308 0.060 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.037 -2.584 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.073 -2.756 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.294 -2.776 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.090 -1.413 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.055 -1.247 0.804 1.00 0.00 H new ATOM 677 N GLN A 45 -4.452 2.792 0.396 1.00 0.00 N ATOM 678 CA GLN A 45 -3.960 4.157 0.322 1.00 0.00 C ATOM 679 C GLN A 45 -3.468 4.467 -1.093 1.00 0.00 C ATOM 680 O GLN A 45 -3.676 5.569 -1.599 1.00 0.00 O ATOM 681 CB GLN A 45 -2.856 4.399 1.353 1.00 0.00 C ATOM 682 CG GLN A 45 -3.233 5.536 2.304 1.00 0.00 C ATOM 683 CD GLN A 45 -2.037 6.456 2.560 1.00 0.00 C ATOM 684 OE1 GLN A 45 -0.879 5.814 2.690 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -2.157 7.668 2.634 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.089 2.250 1.181 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.783 4.833 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.680 3.487 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.924 4.641 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.055 6.112 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.587 5.123 3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.076 8.097 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.338 8.252 2.805 1.00 0.00 H new ATOM 694 N ILE A 46 -2.824 3.476 -1.692 1.00 0.00 N ATOM 695 CA ILE A 46 -2.300 3.629 -3.038 1.00 0.00 C ATOM 696 C ILE A 46 -3.461 3.635 -4.035 1.00 0.00 C ATOM 697 O ILE A 46 -3.524 4.492 -4.915 1.00 0.00 O ATOM 698 CB ILE A 46 -1.247 2.558 -3.328 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.088 2.645 -2.333 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.764 2.642 -4.778 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.430 1.252 -1.971 1.00 0.00 C ATOM 0 H ILE A 46 -2.653 2.564 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.786 4.585 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.710 1.580 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.720 3.237 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.417 3.160 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.016 1.870 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.608 2.494 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.324 3.623 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.253 1.343 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.374 0.671 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.781 0.749 -2.872 1.00 0.00 H new ATOM 713 N SER A 47 -4.352 2.669 -3.863 1.00 0.00 N ATOM 714 CA SER A 47 -5.507 2.553 -4.737 1.00 0.00 C ATOM 715 C SER A 47 -6.290 3.867 -4.747 1.00 0.00 C ATOM 716 O SER A 47 -6.955 4.190 -5.730 1.00 0.00 O ATOM 717 CB SER A 47 -6.412 1.398 -4.302 1.00 0.00 C ATOM 718 OG SER A 47 -7.148 1.712 -3.122 1.00 0.00 O ATOM 0 H SER A 47 -4.297 1.960 -3.132 1.00 0.00 H new ATOM 0 HA SER A 47 -5.153 2.342 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.105 1.157 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.806 0.509 -4.126 1.00 0.00 H new ATOM 0 HG SER A 47 -6.616 2.307 -2.553 1.00 0.00 H new ATOM 724 N LYS A 48 -6.186 4.589 -3.641 1.00 0.00 N ATOM 725 CA LYS A 48 -6.876 5.861 -3.510 1.00 0.00 C ATOM 726 C LYS A 48 -6.245 6.879 -4.462 1.00 0.00 C ATOM 727 O LYS A 48 -6.941 7.494 -5.269 1.00 0.00 O ATOM 728 CB LYS A 48 -6.893 6.314 -2.049 1.00 0.00 C ATOM 729 CG LYS A 48 -7.757 5.382 -1.196 1.00 0.00 C ATOM 730 CD LYS A 48 -8.787 6.175 -0.389 1.00 0.00 C ATOM 731 CE LYS A 48 -9.939 5.276 0.064 1.00 0.00 C ATOM 732 NZ LYS A 48 -9.676 4.737 1.417 1.00 0.00 N ATOM 0 H LYS A 48 -5.634 4.317 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.922 5.758 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.876 6.332 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.277 7.332 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.267 4.664 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.122 4.810 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.306 6.622 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.176 6.994 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.870 5.842 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.067 4.455 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.157 3.821 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.652 4.608 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.034 5.403 2.131 1.00 0.00 H new ATOM 746 N TYR A 49 -4.935 7.026 -4.336 1.00 0.00 N ATOM 747 CA TYR A 49 -4.202 7.959 -5.175 1.00 0.00 C ATOM 748 C TYR A 49 -4.022 7.401 -6.588 1.00 0.00 C ATOM 749 O TYR A 49 -4.575 7.937 -7.546 1.00 0.00 O ATOM 750 CB TYR A 49 -2.827 8.121 -4.524 1.00 0.00 C ATOM 751 CG TYR A 49 -1.880 9.046 -5.292 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.185 10.385 -5.431 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.721 8.541 -5.845 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.294 11.255 -6.153 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.170 9.411 -6.568 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.160 10.725 -6.686 1.00 0.00 C ATOM 757 OH TYR A 49 0.681 11.547 -7.369 1.00 0.00 O ATOM 0 H TYR A 49 -4.362 6.515 -3.665 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.739 8.904 -5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.958 8.509 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.363 7.139 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.092 10.780 -4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.482 7.493 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.521 12.305 -6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.080 9.029 -7.007 1.00 0.00 H new ATOM 0 HH TYR A 49 1.450 11.033 -7.692 1.00 0.00 H new ATOM 767 N LEU A 50 -3.245 6.331 -6.672 1.00 0.00 N ATOM 768 CA LEU A 50 -2.985 5.694 -7.952 1.00 0.00 C ATOM 769 C LEU A 50 -4.299 5.548 -8.721 1.00 0.00 C ATOM 770 O LEU A 50 -4.302 5.503 -9.950 1.00 0.00 O ATOM 771 CB LEU A 50 -2.239 4.374 -7.752 1.00 0.00 C ATOM 772 CG LEU A 50 -0.712 4.451 -7.805 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.150 5.091 -6.534 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.102 3.073 -8.071 1.00 0.00 C ATOM 0 H LEU A 50 -2.787 5.889 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.328 6.316 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.529 3.959 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.574 3.671 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.432 5.094 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.937 5.133 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.547 6.101 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.439 4.496 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.984 3.156 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.390 2.388 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.466 2.692 -9.025 1.00 0.00 H new ATOM 786 N HIS A 51 -5.385 5.477 -7.964 1.00 0.00 N ATOM 787 CA HIS A 51 -6.703 5.336 -8.559 1.00 0.00 C ATOM 788 C HIS A 51 -6.797 3.994 -9.287 1.00 0.00 C ATOM 789 O HIS A 51 -7.483 3.881 -10.302 1.00 0.00 O ATOM 790 CB HIS A 51 -7.020 6.527 -9.467 1.00 0.00 C ATOM 791 CG HIS A 51 -7.247 7.822 -8.724 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.555 8.996 -8.748 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -8.291 8.002 -7.834 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.144 9.848 -7.919 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -8.221 9.233 -7.350 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.379 5.514 -6.945 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.461 5.339 -7.776 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.199 6.663 -10.171 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.909 6.296 -10.055 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.037 7.264 -7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.824 10.861 -7.726 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.860 9.648 -6.672 1.00 0.00 H new ATOM 803 N CYS A 52 -6.098 3.010 -8.741 1.00 0.00 N ATOM 804 CA CYS A 52 -6.094 1.680 -9.325 1.00 0.00 C ATOM 805 C CYS A 52 -6.945 0.765 -8.443 1.00 0.00 C ATOM 806 O CYS A 52 -7.856 1.228 -7.758 1.00 0.00 O ATOM 807 CB CYS A 52 -4.672 1.143 -9.500 1.00 0.00 C ATOM 808 SG CYS A 52 -4.001 0.611 -7.883 1.00 0.00 S ATOM 0 H CYS A 52 -5.530 3.108 -7.899 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.523 1.719 -10.326 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.674 0.304 -10.196 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.034 1.914 -9.932 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.234 1.544 -7.403 1.00 0.00 H new ATOM 814 N ASN A 53 -6.619 -0.518 -8.489 1.00 0.00 N ATOM 815 CA ASN A 53 -7.342 -1.503 -7.702 1.00 0.00 C ATOM 816 C ASN A 53 -6.382 -2.162 -6.710 1.00 0.00 C ATOM 817 O ASN A 53 -5.314 -2.637 -7.096 1.00 0.00 O ATOM 818 CB ASN A 53 -7.926 -2.600 -8.594 1.00 0.00 C ATOM 819 CG ASN A 53 -9.421 -2.376 -8.831 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.272 -3.043 -8.266 1.00 0.00 O ATOM 821 ND2 ASN A 53 -9.693 -1.402 -9.695 1.00 0.00 N ATOM 0 H ASN A 53 -5.864 -0.899 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.152 -0.991 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.401 -2.615 -9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.770 -3.573 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.662 -1.175 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.933 -0.882 -10.133 1.00 0.00 H new ATOM 828 N ALA A 54 -6.795 -2.171 -5.451 1.00 0.00 N ATOM 829 CA ALA A 54 -5.985 -2.764 -4.401 1.00 0.00 C ATOM 830 C ALA A 54 -5.916 -4.278 -4.610 1.00 0.00 C ATOM 831 O ALA A 54 -5.106 -4.959 -3.983 1.00 0.00 O ATOM 832 CB ALA A 54 -6.564 -2.389 -3.036 1.00 0.00 C ATOM 0 H ALA A 54 -7.681 -1.777 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.966 -2.379 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.956 -2.834 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.563 -1.305 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.586 -2.761 -2.960 1.00 0.00 H new ATOM 838 N ASP A 55 -6.777 -4.761 -5.494 1.00 0.00 N ATOM 839 CA ASP A 55 -6.824 -6.182 -5.793 1.00 0.00 C ATOM 840 C ASP A 55 -5.705 -6.529 -6.778 1.00 0.00 C ATOM 841 O ASP A 55 -5.389 -7.701 -6.975 1.00 0.00 O ATOM 842 CB ASP A 55 -8.157 -6.565 -6.439 1.00 0.00 C ATOM 843 CG ASP A 55 -8.616 -8.000 -6.173 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.757 -8.901 -6.291 1.00 0.00 O ATOM 845 OD2 ASP A 55 -9.814 -8.164 -5.857 1.00 0.00 O ATOM 0 H ASP A 55 -7.447 -4.193 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.707 -6.728 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.927 -5.881 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.077 -6.419 -7.516 1.00 0.00 H new ATOM 850 N ARG A 56 -5.137 -5.488 -7.369 1.00 0.00 N ATOM 851 CA ARG A 56 -4.061 -5.668 -8.328 1.00 0.00 C ATOM 852 C ARG A 56 -2.766 -5.052 -7.795 1.00 0.00 C ATOM 853 O ARG A 56 -1.720 -5.143 -8.436 1.00 0.00 O ATOM 854 CB ARG A 56 -4.407 -5.026 -9.673 1.00 0.00 C ATOM 855 CG ARG A 56 -5.736 -5.561 -10.210 1.00 0.00 C ATOM 856 CD ARG A 56 -5.526 -6.849 -11.009 1.00 0.00 C ATOM 857 NE ARG A 56 -6.224 -6.756 -12.310 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.536 -6.970 -12.476 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.301 -7.290 -11.423 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.084 -6.865 -13.694 1.00 0.00 N ATOM 0 H ARG A 56 -5.402 -4.517 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.925 -6.739 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.466 -3.944 -9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.613 -5.228 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.418 -5.750 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.206 -4.808 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.461 -7.018 -11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.903 -7.702 -10.445 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.672 -6.514 -13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.884 -7.371 -10.496 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.300 -7.453 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.502 -6.622 -14.496 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.083 -7.028 -13.820 1.00 0.00 H new ATOM 874 N LEU A 57 -2.878 -4.437 -6.626 1.00 0.00 N ATOM 875 CA LEU A 57 -1.730 -3.806 -5.999 1.00 0.00 C ATOM 876 C LEU A 57 -0.947 -4.854 -5.205 1.00 0.00 C ATOM 877 O LEU A 57 -1.538 -5.738 -4.587 1.00 0.00 O ATOM 878 CB LEU A 57 -2.170 -2.602 -5.163 1.00 0.00 C ATOM 879 CG LEU A 57 -2.615 -1.367 -5.948 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.234 -0.321 -5.019 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.459 -0.793 -6.769 1.00 0.00 C ATOM 0 H LEU A 57 -3.747 -4.363 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.053 -3.409 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.992 -2.913 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.344 -2.316 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.390 -1.670 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.542 0.547 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.103 -0.748 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.499 -0.015 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.803 0.084 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.645 -0.508 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.104 -1.545 -7.473 1.00 0.00 H new ATOM 893 N VAL A 58 0.370 -4.719 -5.246 1.00 0.00 N ATOM 894 CA VAL A 58 1.239 -5.643 -4.537 1.00 0.00 C ATOM 895 C VAL A 58 2.248 -4.850 -3.704 1.00 0.00 C ATOM 896 O VAL A 58 2.858 -3.903 -4.197 1.00 0.00 O ATOM 897 CB VAL A 58 1.904 -6.601 -5.528 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.706 -7.678 -4.796 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.868 -7.229 -6.463 1.00 0.00 C ATOM 0 H VAL A 58 0.857 -3.984 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 58 0.661 -6.259 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 58 2.599 -6.023 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.168 -8.345 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.481 -7.207 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.041 -8.251 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.367 -7.905 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.138 -7.786 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.360 -6.444 -7.023 1.00 0.00 H new ATOM 909 N LEU A 59 2.393 -5.267 -2.454 1.00 0.00 N ATOM 910 CA LEU A 59 3.317 -4.608 -1.548 1.00 0.00 C ATOM 911 C LEU A 59 4.678 -5.304 -1.619 1.00 0.00 C ATOM 912 O LEU A 59 4.762 -6.525 -1.497 1.00 0.00 O ATOM 913 CB LEU A 59 2.731 -4.546 -0.136 1.00 0.00 C ATOM 914 CG LEU A 59 2.613 -3.151 0.481 1.00 0.00 C ATOM 915 CD1 LEU A 59 3.975 -2.647 0.962 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.952 -2.175 -0.495 1.00 0.00 C ATOM 0 H LEU A 59 1.886 -6.053 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 59 3.472 -3.572 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.739 -4.998 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.348 -5.160 0.519 1.00 0.00 H new ATOM 0 HG LEU A 59 1.968 -3.218 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.863 -1.654 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.370 -3.329 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.664 -2.599 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.880 -1.191 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.551 -2.106 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.953 -2.532 -0.746 1.00 0.00 H new ATOM 928 N ILE A 60 5.710 -4.497 -1.816 1.00 0.00 N ATOM 929 CA ILE A 60 7.063 -5.020 -1.904 1.00 0.00 C ATOM 930 C ILE A 60 8.009 -4.110 -1.119 1.00 0.00 C ATOM 931 O ILE A 60 8.283 -2.986 -1.536 1.00 0.00 O ATOM 932 CB ILE A 60 7.468 -5.213 -3.367 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.517 -6.180 -4.076 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.927 -5.660 -3.477 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.562 -5.428 -5.005 1.00 0.00 C ATOM 0 H ILE A 60 5.637 -3.485 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 60 7.120 -6.008 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 60 7.387 -4.252 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.093 -6.906 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.945 -6.740 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.190 -5.790 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.574 -4.904 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.059 -6.605 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.897 -6.139 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.971 -4.720 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.136 -4.888 -5.758 1.00 0.00 H new ATOM 947 N PHE A 61 8.483 -4.630 0.004 1.00 0.00 N ATOM 948 CA PHE A 61 9.394 -3.879 0.851 1.00 0.00 C ATOM 949 C PHE A 61 10.767 -4.550 0.911 1.00 0.00 C ATOM 950 O PHE A 61 10.902 -5.648 1.448 1.00 0.00 O ATOM 951 CB PHE A 61 8.786 -3.861 2.255 1.00 0.00 C ATOM 952 CG PHE A 61 9.786 -3.521 3.362 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.131 -2.226 3.593 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.331 -4.515 4.114 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.059 -1.912 4.621 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.259 -4.200 5.142 1.00 0.00 C ATOM 957 CZ PHE A 61 11.604 -2.905 5.373 1.00 0.00 C ATOM 0 H PHE A 61 8.253 -5.563 0.347 1.00 0.00 H new ATOM 0 HA PHE A 61 9.529 -2.873 0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.973 -3.135 2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.348 -4.837 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.700 -1.437 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.058 -5.543 3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.332 -0.884 4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.691 -4.989 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.311 -2.665 6.154 1.00 0.00 H new ATOM 967 N THR A 62 11.752 -3.861 0.353 1.00 0.00 N ATOM 968 CA THR A 62 13.110 -4.377 0.337 1.00 0.00 C ATOM 969 C THR A 62 13.286 -5.379 -0.806 1.00 0.00 C ATOM 970 O THR A 62 14.364 -5.945 -0.980 1.00 0.00 O ATOM 971 CB THR A 62 13.407 -4.970 1.715 1.00 0.00 C ATOM 972 OG1 THR A 62 14.733 -4.533 2.002 1.00 0.00 O ATOM 973 CG2 THR A 62 13.516 -6.496 1.686 1.00 0.00 C ATOM 0 H THR A 62 11.636 -2.950 -0.091 1.00 0.00 H new ATOM 0 HA THR A 62 13.832 -3.583 0.146 1.00 0.00 H new ATOM 0 HB THR A 62 12.623 -4.676 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.006 -4.872 2.880 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.728 -6.865 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.576 -6.921 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.322 -6.790 1.014 1.00 0.00 H new ATOM 981 N GLY A 63 12.211 -5.566 -1.557 1.00 0.00 N ATOM 982 CA GLY A 63 12.233 -6.490 -2.679 1.00 0.00 C ATOM 983 C GLY A 63 11.389 -7.731 -2.384 1.00 0.00 C ATOM 984 O GLY A 63 11.033 -8.476 -3.296 1.00 0.00 O ATOM 0 H GLY A 63 11.319 -5.094 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.855 -5.992 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.260 -6.786 -2.890 1.00 0.00 H new ATOM 988 N LYS A 64 11.092 -7.916 -1.106 1.00 0.00 N ATOM 989 CA LYS A 64 10.296 -9.054 -0.679 1.00 0.00 C ATOM 990 C LYS A 64 8.821 -8.651 -0.634 1.00 0.00 C ATOM 991 O LYS A 64 8.465 -7.654 -0.007 1.00 0.00 O ATOM 992 CB LYS A 64 10.823 -9.610 0.645 1.00 0.00 C ATOM 993 CG LYS A 64 11.894 -10.677 0.405 1.00 0.00 C ATOM 994 CD LYS A 64 11.267 -12.068 0.298 1.00 0.00 C ATOM 995 CE LYS A 64 12.049 -12.948 -0.679 1.00 0.00 C ATOM 996 NZ LYS A 64 11.566 -14.346 -0.618 1.00 0.00 N ATOM 0 H LYS A 64 11.389 -7.296 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 64 10.382 -9.870 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.240 -8.800 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.000 -10.038 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.441 -10.449 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.617 -10.662 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.247 -12.539 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.233 -11.980 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.939 -12.563 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.112 -12.913 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.107 -14.930 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.694 -14.716 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.557 -14.376 -0.870 1.00 0.00 H new ATOM 1010 N ILE A 65 8.002 -9.447 -1.306 1.00 0.00 N ATOM 1011 CA ILE A 65 6.574 -9.185 -1.350 1.00 0.00 C ATOM 1012 C ILE A 65 5.954 -9.530 0.006 1.00 0.00 C ATOM 1013 O ILE A 65 6.303 -10.542 0.613 1.00 0.00 O ATOM 1014 CB ILE A 65 5.930 -9.924 -2.525 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.575 -9.513 -3.850 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.414 -9.718 -2.537 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.370 -10.671 -4.455 1.00 0.00 C ATOM 0 H ILE A 65 8.300 -10.273 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 65 6.387 -8.126 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 65 6.109 -10.992 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.804 -9.192 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.234 -8.660 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.981 -10.253 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.988 -10.099 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.192 -8.655 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.818 -10.352 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.156 -10.974 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.703 -11.514 -4.638 1.00 0.00 H new ATOM 1029 N LEU A 66 5.047 -8.668 0.442 1.00 0.00 N ATOM 1030 CA LEU A 66 4.376 -8.869 1.716 1.00 0.00 C ATOM 1031 C LEU A 66 2.965 -9.403 1.465 1.00 0.00 C ATOM 1032 O LEU A 66 2.594 -9.676 0.324 1.00 0.00 O ATOM 1033 CB LEU A 66 4.409 -7.584 2.546 1.00 0.00 C ATOM 1034 CG LEU A 66 5.679 -6.739 2.426 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.372 -5.255 2.636 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.763 -7.241 3.382 1.00 0.00 C ATOM 0 H LEU A 66 4.761 -7.829 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 66 4.900 -9.618 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.558 -6.967 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.271 -7.849 3.594 1.00 0.00 H new ATOM 0 HG LEU A 66 6.067 -6.847 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.292 -4.677 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.658 -4.921 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.947 -5.108 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.655 -6.624 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.399 -7.182 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.008 -8.276 3.143 1.00 0.00 H new ATOM 1048 N ARG A 67 2.216 -9.538 2.550 1.00 0.00 N ATOM 1049 CA ARG A 67 0.854 -10.035 2.462 1.00 0.00 C ATOM 1050 C ARG A 67 -0.098 -9.116 3.231 1.00 0.00 C ATOM 1051 O ARG A 67 0.229 -8.652 4.322 1.00 0.00 O ATOM 1052 CB ARG A 67 0.748 -11.453 3.025 1.00 0.00 C ATOM 1053 CG ARG A 67 1.332 -12.476 2.049 1.00 0.00 C ATOM 1054 CD ARG A 67 0.308 -12.861 0.980 1.00 0.00 C ATOM 1055 NE ARG A 67 0.864 -13.916 0.103 1.00 0.00 N ATOM 1056 CZ ARG A 67 0.310 -14.298 -1.056 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.817 -13.714 -1.485 1.00 0.00 N ATOM 1058 NH2 ARG A 67 0.884 -15.264 -1.787 1.00 0.00 N ATOM 0 H ARG A 67 2.527 -9.312 3.495 1.00 0.00 H new ATOM 0 HA ARG A 67 0.575 -10.052 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.276 -11.511 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.297 -11.691 3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.222 -12.063 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.646 -13.366 2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.608 -13.215 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.043 -11.986 0.387 1.00 0.00 H new ATOM 0 HE ARG A 67 1.722 -14.381 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.254 -12.978 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.238 -14.005 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.742 -15.708 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.462 -15.555 -2.669 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.255 -8.880 2.631 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.256 -8.025 3.246 1.00 0.00 C ATOM 1074 C ASP A 68 -2.416 -8.411 4.718 1.00 0.00 C ATOM 1075 O ASP A 68 -2.793 -7.580 5.543 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.616 -8.190 2.564 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.840 -9.545 1.888 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.226 -9.755 0.820 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.621 -10.339 2.456 1.00 0.00 O ATOM 0 H ASP A 68 -1.522 -9.266 1.725 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.924 -6.992 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.399 -8.037 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.728 -7.405 1.816 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.121 -9.671 5.002 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.227 -10.177 6.360 1.00 0.00 C ATOM 1086 C GLN A 69 -0.896 -10.007 7.095 1.00 0.00 C ATOM 1087 O GLN A 69 -0.526 -10.844 7.917 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.675 -11.639 6.367 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.519 -12.569 5.991 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.041 -13.905 5.459 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -1.952 -14.937 6.105 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -2.588 -13.830 4.250 1.00 0.00 N ATOM 0 H GLN A 69 -1.809 -10.357 4.315 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.986 -9.597 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.052 -11.903 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.498 -11.774 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.895 -12.092 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.888 -12.742 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.630 -12.934 3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.965 -14.668 3.808 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.212 -8.919 6.772 1.00 0.00 N ATOM 1102 CA ASP A 70 1.070 -8.630 7.391 1.00 0.00 C ATOM 1103 C ASP A 70 1.180 -7.125 7.647 1.00 0.00 C ATOM 1104 O ASP A 70 0.862 -6.319 6.774 1.00 0.00 O ATOM 1105 CB ASP A 70 2.227 -9.040 6.479 1.00 0.00 C ATOM 1106 CG ASP A 70 2.372 -10.547 6.256 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.359 -11.250 6.460 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.492 -10.961 5.886 1.00 0.00 O ATOM 0 H ASP A 70 -0.522 -8.227 6.090 1.00 0.00 H new ATOM 0 HA ASP A 70 1.129 -9.192 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.096 -8.556 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.156 -8.660 6.903 1.00 0.00 H new ATOM 1113 N ILE A 71 1.631 -6.792 8.847 1.00 0.00 N ATOM 1114 CA ILE A 71 1.787 -5.399 9.228 1.00 0.00 C ATOM 1115 C ILE A 71 3.102 -4.863 8.659 1.00 0.00 C ATOM 1116 O ILE A 71 3.982 -5.637 8.287 1.00 0.00 O ATOM 1117 CB ILE A 71 1.663 -5.241 10.745 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.201 -5.324 11.188 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.334 -3.950 11.219 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.446 -6.624 10.705 1.00 0.00 C ATOM 0 H ILE A 71 1.894 -7.463 9.569 1.00 0.00 H new ATOM 0 HA ILE A 71 0.986 -4.796 8.802 1.00 0.00 H new ATOM 0 HB ILE A 71 2.190 -6.070 11.218 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.143 -5.267 12.275 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.351 -4.471 10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.231 -3.862 12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.391 -3.972 10.956 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.858 -3.095 10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.485 -6.657 11.034 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.408 -6.667 9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.093 -7.475 11.120 1.00 0.00 H new ATOM 1132 N LEU A 72 3.194 -3.542 8.610 1.00 0.00 N ATOM 1133 CA LEU A 72 4.387 -2.894 8.093 1.00 0.00 C ATOM 1134 C LEU A 72 5.545 -3.113 9.069 1.00 0.00 C ATOM 1135 O LEU A 72 6.481 -3.854 8.771 1.00 0.00 O ATOM 1136 CB LEU A 72 4.108 -1.420 7.791 1.00 0.00 C ATOM 1137 CG LEU A 72 2.808 -1.124 7.040 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.623 0.381 6.837 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.751 -1.892 5.718 1.00 0.00 C ATOM 0 H LEU A 72 2.462 -2.903 8.920 1.00 0.00 H new ATOM 0 HA LEU A 72 4.681 -3.340 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.092 -0.873 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.940 -1.025 7.207 1.00 0.00 H new ATOM 0 HG LEU A 72 1.974 -1.472 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.692 0.564 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.587 0.877 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.458 0.775 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.817 -1.664 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.592 -1.598 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.803 -2.962 5.917 1.00 0.00 H new ATOM 1151 N SER A 73 5.444 -2.455 10.214 1.00 0.00 N ATOM 1152 CA SER A 73 6.471 -2.569 11.235 1.00 0.00 C ATOM 1153 C SER A 73 6.875 -4.034 11.411 1.00 0.00 C ATOM 1154 O SER A 73 8.046 -4.381 11.267 1.00 0.00 O ATOM 1155 CB SER A 73 5.991 -1.987 12.567 1.00 0.00 C ATOM 1156 OG SER A 73 6.903 -1.024 13.088 1.00 0.00 O ATOM 0 H SER A 73 4.667 -1.841 10.457 1.00 0.00 H new ATOM 0 HA SER A 73 7.340 -1.996 10.911 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.014 -1.524 12.429 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.863 -2.793 13.290 1.00 0.00 H new ATOM 0 HG SER A 73 6.406 -0.331 13.572 1.00 0.00 H new ATOM 1162 N GLN A 74 5.882 -4.855 11.721 1.00 0.00 N ATOM 1163 CA GLN A 74 6.119 -6.275 11.918 1.00 0.00 C ATOM 1164 C GLN A 74 7.029 -6.819 10.815 1.00 0.00 C ATOM 1165 O GLN A 74 7.938 -7.602 11.086 1.00 0.00 O ATOM 1166 CB GLN A 74 4.800 -7.048 11.971 1.00 0.00 C ATOM 1167 CG GLN A 74 4.193 -7.001 13.375 1.00 0.00 C ATOM 1168 CD GLN A 74 3.053 -8.012 13.514 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.172 -9.173 13.157 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.946 -7.509 14.052 1.00 0.00 N ATOM 0 H GLN A 74 4.912 -4.564 11.841 1.00 0.00 H new ATOM 0 HA GLN A 74 6.621 -6.411 12.876 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.097 -6.625 11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.970 -8.084 11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.964 -7.213 14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.821 -5.997 13.581 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.914 -6.528 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.129 -8.104 14.188 1.00 0.00 H new ATOM 1179 N ARG A 75 6.753 -6.383 9.595 1.00 0.00 N ATOM 1180 CA ARG A 75 7.536 -6.817 8.450 1.00 0.00 C ATOM 1181 C ARG A 75 8.928 -6.183 8.488 1.00 0.00 C ATOM 1182 O ARG A 75 9.915 -6.822 8.126 1.00 0.00 O ATOM 1183 CB ARG A 75 6.847 -6.439 7.137 1.00 0.00 C ATOM 1184 CG ARG A 75 5.740 -7.437 6.792 1.00 0.00 C ATOM 1185 CD ARG A 75 6.313 -8.839 6.575 1.00 0.00 C ATOM 1186 NE ARG A 75 5.546 -9.542 5.523 1.00 0.00 N ATOM 1187 CZ ARG A 75 5.937 -10.685 4.944 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.090 -11.262 5.312 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.177 -11.252 3.998 1.00 0.00 N ATOM 0 H ARG A 75 5.998 -5.734 9.374 1.00 0.00 H new ATOM 0 HA ARG A 75 7.626 -7.902 8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.426 -5.437 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.581 -6.412 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.004 -7.462 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.218 -7.110 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.362 -8.771 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.273 -9.405 7.506 1.00 0.00 H new ATOM 0 HE ARG A 75 4.664 -9.130 5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.669 -10.831 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.388 -12.132 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.300 -10.813 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.476 -12.122 3.558 1.00 0.00 H new ATOM 1203 N GLY A 76 8.963 -4.934 8.930 1.00 0.00 N ATOM 1204 CA GLY A 76 10.218 -4.207 9.020 1.00 0.00 C ATOM 1205 C GLY A 76 10.041 -2.752 8.582 1.00 0.00 C ATOM 1206 O GLY A 76 10.816 -1.883 8.977 1.00 0.00 O ATOM 0 H GLY A 76 8.142 -4.407 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.589 -4.240 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.968 -4.690 8.394 1.00 0.00 H new ATOM 1210 N ILE A 77 9.016 -2.532 7.772 1.00 0.00 N ATOM 1211 CA ILE A 77 8.728 -1.197 7.276 1.00 0.00 C ATOM 1212 C ILE A 77 8.699 -0.216 8.451 1.00 0.00 C ATOM 1213 O ILE A 77 7.776 -0.241 9.263 1.00 0.00 O ATOM 1214 CB ILE A 77 7.442 -1.199 6.446 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.692 -1.775 5.051 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.825 0.199 6.387 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.385 -2.254 4.414 1.00 0.00 C ATOM 0 H ILE A 77 8.375 -3.256 7.447 1.00 0.00 H new ATOM 0 HA ILE A 77 9.516 -0.864 6.601 1.00 0.00 H new ATOM 0 HB ILE A 77 6.718 -1.849 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.153 -1.017 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.395 -2.606 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.913 0.169 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.588 0.535 7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.534 0.890 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.590 -2.659 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.939 -3.029 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.694 -1.416 4.327 1.00 0.00 H new ATOM 1229 N LEU A 78 9.723 0.624 8.503 1.00 0.00 N ATOM 1230 CA LEU A 78 9.827 1.611 9.564 1.00 0.00 C ATOM 1231 C LEU A 78 9.608 3.008 8.980 1.00 0.00 C ATOM 1232 O LEU A 78 9.127 3.146 7.856 1.00 0.00 O ATOM 1233 CB LEU A 78 11.154 1.457 10.311 1.00 0.00 C ATOM 1234 CG LEU A 78 11.058 1.350 11.834 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.215 0.141 12.246 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.449 1.322 12.470 1.00 0.00 C ATOM 0 H LEU A 78 10.487 0.641 7.828 1.00 0.00 H new ATOM 0 HA LEU A 78 9.048 1.452 10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.658 0.567 9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.787 2.310 10.066 1.00 0.00 H new ATOM 0 HG LEU A 78 10.551 2.239 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.162 0.088 13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.209 0.243 11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.672 -0.770 11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.352 1.246 13.553 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.004 0.463 12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.983 2.238 12.217 1.00 0.00 H new ATOM 1248 N ASP A 79 9.973 4.008 9.768 1.00 0.00 N ATOM 1249 CA ASP A 79 9.823 5.389 9.342 1.00 0.00 C ATOM 1250 C ASP A 79 10.957 5.748 8.380 1.00 0.00 C ATOM 1251 O ASP A 79 12.131 5.592 8.713 1.00 0.00 O ATOM 1252 CB ASP A 79 9.895 6.344 10.535 1.00 0.00 C ATOM 1253 CG ASP A 79 10.270 7.786 10.188 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.342 8.545 9.833 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.477 8.097 10.284 1.00 0.00 O ATOM 0 H ASP A 79 10.372 3.890 10.699 1.00 0.00 H new ATOM 0 HA ASP A 79 8.851 5.489 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.928 6.347 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.623 5.957 11.248 1.00 0.00 H new ATOM 1260 N GLY A 80 10.567 6.223 7.206 1.00 0.00 N ATOM 1261 CA GLY A 80 11.536 6.605 6.194 1.00 0.00 C ATOM 1262 C GLY A 80 12.013 5.385 5.403 1.00 0.00 C ATOM 1263 O GLY A 80 13.202 5.254 5.115 1.00 0.00 O ATOM 0 H GLY A 80 9.593 6.352 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.090 7.332 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.389 7.092 6.667 1.00 0.00 H new ATOM 1267 N SER A 81 11.062 4.524 5.075 1.00 0.00 N ATOM 1268 CA SER A 81 11.370 3.319 4.323 1.00 0.00 C ATOM 1269 C SER A 81 10.894 3.469 2.876 1.00 0.00 C ATOM 1270 O SER A 81 10.100 4.356 2.569 1.00 0.00 O ATOM 1271 CB SER A 81 10.729 2.088 4.967 1.00 0.00 C ATOM 1272 OG SER A 81 11.091 1.955 6.339 1.00 0.00 O ATOM 0 H SER A 81 10.077 4.636 5.316 1.00 0.00 H new ATOM 0 HA SER A 81 12.451 3.178 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.644 2.158 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.034 1.194 4.423 1.00 0.00 H new ATOM 0 HG SER A 81 10.477 2.482 6.892 1.00 0.00 H new ATOM 1278 N THR A 82 11.400 2.587 2.026 1.00 0.00 N ATOM 1279 CA THR A 82 11.037 2.611 0.620 1.00 0.00 C ATOM 1280 C THR A 82 10.305 1.323 0.237 1.00 0.00 C ATOM 1281 O THR A 82 10.829 0.226 0.427 1.00 0.00 O ATOM 1282 CB THR A 82 12.310 2.851 -0.194 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.710 4.170 0.168 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.037 2.943 -1.696 1.00 0.00 C ATOM 0 H THR A 82 12.058 1.852 2.284 1.00 0.00 H new ATOM 0 HA THR A 82 10.340 3.421 0.405 1.00 0.00 H new ATOM 0 HB THR A 82 13.019 2.046 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.530 4.407 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.974 3.114 -2.226 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.589 2.012 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.354 3.769 -1.892 1.00 0.00 H new ATOM 1292 N VAL A 83 9.105 1.498 -0.296 1.00 0.00 N ATOM 1293 CA VAL A 83 8.296 0.364 -0.708 1.00 0.00 C ATOM 1294 C VAL A 83 7.942 0.505 -2.190 1.00 0.00 C ATOM 1295 O VAL A 83 7.527 1.575 -2.633 1.00 0.00 O ATOM 1296 CB VAL A 83 7.064 0.246 0.192 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.294 -1.044 -0.099 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.454 0.330 1.669 1.00 0.00 C ATOM 0 H VAL A 83 8.673 2.409 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 83 8.856 -0.565 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 83 6.406 1.086 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.423 -1.103 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.968 -1.047 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.941 -1.902 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.560 0.243 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.142 -0.480 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.938 1.287 1.864 1.00 0.00 H new ATOM 1308 N HIS A 84 8.119 -0.589 -2.915 1.00 0.00 N ATOM 1309 CA HIS A 84 7.824 -0.600 -4.337 1.00 0.00 C ATOM 1310 C HIS A 84 6.341 -0.911 -4.552 1.00 0.00 C ATOM 1311 O HIS A 84 5.810 -1.854 -3.967 1.00 0.00 O ATOM 1312 CB HIS A 84 8.746 -1.572 -5.076 1.00 0.00 C ATOM 1313 CG HIS A 84 10.140 -1.040 -5.309 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.533 -0.466 -6.505 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.227 -0.998 -4.486 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.802 -0.101 -6.397 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.231 -0.432 -5.145 1.00 0.00 N ATOM 0 H HIS A 84 8.463 -1.475 -2.544 1.00 0.00 H new ATOM 0 HA HIS A 84 8.018 0.386 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.812 -2.498 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.298 -1.821 -6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.265 -1.363 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.393 0.375 -7.165 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.168 -0.271 -4.776 1.00 0.00 H new ATOM 1325 N VAL A 85 5.715 -0.100 -5.391 1.00 0.00 N ATOM 1326 CA VAL A 85 4.304 -0.276 -5.690 1.00 0.00 C ATOM 1327 C VAL A 85 4.157 -0.967 -7.047 1.00 0.00 C ATOM 1328 O VAL A 85 5.012 -0.820 -7.918 1.00 0.00 O ATOM 1329 CB VAL A 85 3.583 1.072 -5.624 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.929 1.939 -6.836 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.070 0.878 -5.503 1.00 0.00 C ATOM 0 H VAL A 85 6.159 0.681 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 85 3.833 -0.918 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 85 3.927 1.593 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.403 2.891 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.004 2.119 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.627 1.426 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.581 1.851 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.703 0.327 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.847 0.317 -4.595 1.00 0.00 H new ATOM 1341 N VAL A 86 3.066 -1.706 -7.184 1.00 0.00 N ATOM 1342 CA VAL A 86 2.796 -2.420 -8.420 1.00 0.00 C ATOM 1343 C VAL A 86 1.293 -2.389 -8.704 1.00 0.00 C ATOM 1344 O VAL A 86 0.486 -2.261 -7.785 1.00 0.00 O ATOM 1345 CB VAL A 86 3.359 -3.841 -8.338 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.630 -4.776 -9.305 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.866 -3.849 -8.598 1.00 0.00 C ATOM 0 H VAL A 86 2.358 -1.826 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 86 3.296 -1.934 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 86 3.192 -4.210 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.049 -5.779 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.570 -4.805 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.751 -4.411 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.241 -4.870 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.066 -3.451 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.367 -3.231 -7.853 1.00 0.00 H new ATOM 1357 N VAL A 87 0.962 -2.507 -9.982 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.430 -2.494 -10.399 1.00 0.00 C ATOM 1359 C VAL A 87 -0.663 -3.609 -11.420 1.00 0.00 C ATOM 1360 O VAL A 87 -0.955 -3.338 -12.584 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.804 -1.109 -10.930 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.322 -0.923 -10.957 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.131 -0.007 -10.110 1.00 0.00 C ATOM 0 H VAL A 87 1.634 -2.612 -10.742 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.085 -2.690 -9.550 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.439 -1.034 -11.955 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.560 0.070 -11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.770 -1.677 -11.604 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.720 -1.029 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.414 0.967 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.451 -0.080 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.952 -0.122 -10.166 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.525 -4.839 -10.947 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.717 -5.996 -11.805 1.00 0.00 C ATOM 1375 C ARG A 88 -1.885 -5.759 -12.764 1.00 0.00 C ATOM 1376 O ARG A 88 -2.817 -5.023 -12.442 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.991 -7.254 -10.979 1.00 0.00 C ATOM 1378 CG ARG A 88 0.311 -7.986 -10.645 1.00 0.00 C ATOM 1379 CD ARG A 88 0.086 -9.033 -9.553 1.00 0.00 C ATOM 1380 NE ARG A 88 0.165 -10.393 -10.132 1.00 0.00 N ATOM 1381 CZ ARG A 88 -0.347 -11.487 -9.552 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -0.977 -11.388 -8.373 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -0.228 -12.680 -10.150 1.00 0.00 N ATOM 0 H ARG A 88 -0.283 -5.060 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 88 0.201 -6.142 -12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.507 -6.983 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.655 -7.919 -11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.702 -8.468 -11.541 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.062 -7.268 -10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.834 -8.919 -8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.889 -8.883 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 88 0.639 -10.504 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.067 -10.480 -7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.367 -12.221 -7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.252 -12.755 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.618 -13.513 -9.709 1.00 0.00 H new ATOM 1397 N SER A 89 -1.797 -6.395 -13.922 1.00 0.00 N ATOM 1398 CA SER A 89 -2.836 -6.262 -14.930 1.00 0.00 C ATOM 1399 C SER A 89 -2.804 -7.465 -15.876 1.00 0.00 C ATOM 1400 O SER A 89 -1.819 -7.679 -16.580 1.00 0.00 O ATOM 1401 CB SER A 89 -2.674 -4.962 -15.719 1.00 0.00 C ATOM 1402 OG SER A 89 -3.873 -4.596 -16.397 1.00 0.00 O ATOM 0 H SER A 89 -1.022 -7.004 -14.186 1.00 0.00 H new ATOM 0 HA SER A 89 -3.801 -6.231 -14.425 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.382 -4.160 -15.041 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.868 -5.076 -16.444 1.00 0.00 H new ATOM 0 HG SER A 89 -3.729 -3.760 -16.888 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.894 -8.218 -15.860 1.00 0.00 N ATOM 1409 CA HIS A 90 -4.004 -9.393 -16.708 1.00 0.00 C ATOM 1410 C HIS A 90 -5.359 -9.390 -17.417 1.00 0.00 C ATOM 1411 O HIS A 90 -6.232 -10.197 -17.100 1.00 0.00 O ATOM 1412 CB HIS A 90 -3.760 -10.670 -15.900 1.00 0.00 C ATOM 1413 CG HIS A 90 -2.551 -11.457 -16.346 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -1.261 -10.967 -16.250 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -2.451 -12.704 -16.889 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -0.429 -11.886 -16.719 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -1.168 -12.961 -17.114 1.00 0.00 N ATOM 0 H HIS A 90 -4.709 -8.037 -15.273 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.232 -9.365 -17.477 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.641 -10.406 -14.849 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.642 -11.307 -15.971 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.275 -13.369 -17.100 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.646 -11.798 -16.778 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.796 -13.822 -17.516 1.00 0.00 H new ATOM 1425 N SER A 91 -5.494 -8.472 -18.363 1.00 0.00 N ATOM 1426 CA SER A 91 -6.728 -8.353 -19.120 1.00 0.00 C ATOM 1427 C SER A 91 -6.601 -7.234 -20.156 1.00 0.00 C ATOM 1428 O SER A 91 -6.822 -7.456 -21.345 1.00 0.00 O ATOM 1429 CB SER A 91 -7.918 -8.088 -18.195 1.00 0.00 C ATOM 1430 OG SER A 91 -9.133 -7.927 -18.922 1.00 0.00 O ATOM 0 H SER A 91 -4.769 -7.803 -18.622 1.00 0.00 H new ATOM 0 HA SER A 91 -6.906 -9.297 -19.635 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.023 -8.915 -17.493 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.727 -7.191 -17.606 1.00 0.00 H new ATOM 0 HG SER A 91 -9.869 -7.761 -18.296 1.00 0.00 H new ATOM 1436 N GLY A 92 -6.246 -6.055 -19.666 1.00 0.00 N ATOM 1437 CA GLY A 92 -6.087 -4.901 -20.534 1.00 0.00 C ATOM 1438 C GLY A 92 -6.686 -3.647 -19.895 1.00 0.00 C ATOM 1439 O GLY A 92 -7.301 -3.721 -18.832 1.00 0.00 O ATOM 0 H GLY A 92 -6.064 -5.874 -18.679 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.029 -4.739 -20.739 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.571 -5.092 -21.491 1.00 0.00 H new ATOM 1443 N PRO A 93 -6.482 -2.495 -20.587 1.00 0.00 N ATOM 1444 CA PRO A 93 -6.995 -1.227 -20.098 1.00 0.00 C ATOM 1445 C PRO A 93 -8.507 -1.128 -20.313 1.00 0.00 C ATOM 1446 O PRO A 93 -9.238 -0.702 -19.420 1.00 0.00 O ATOM 1447 CB PRO A 93 -6.216 -0.167 -20.860 1.00 0.00 C ATOM 1448 CG PRO A 93 -5.631 -0.871 -22.073 1.00 0.00 C ATOM 1449 CD PRO A 93 -5.758 -2.369 -21.849 1.00 0.00 C ATOM 0 HA PRO A 93 -6.861 -1.105 -19.023 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.866 0.654 -21.161 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.429 0.261 -20.239 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.160 -0.574 -22.979 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.586 -0.593 -22.209 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.299 -2.847 -22.665 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.779 -2.845 -21.793 1.00 0.00 H new ATOM 1457 N SER A 94 -8.930 -1.527 -21.503 1.00 0.00 N ATOM 1458 CA SER A 94 -10.342 -1.489 -21.847 1.00 0.00 C ATOM 1459 C SER A 94 -11.043 -2.742 -21.319 1.00 0.00 C ATOM 1460 O SER A 94 -10.388 -3.717 -20.954 1.00 0.00 O ATOM 1461 CB SER A 94 -10.537 -1.368 -23.359 1.00 0.00 C ATOM 1462 OG SER A 94 -11.905 -1.171 -23.707 1.00 0.00 O ATOM 0 H SER A 94 -8.320 -1.878 -22.241 1.00 0.00 H new ATOM 0 HA SER A 94 -10.785 -0.609 -21.380 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.944 -0.535 -23.735 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.165 -2.270 -23.846 1.00 0.00 H new ATOM 0 HG SER A 94 -11.987 -1.097 -24.681 1.00 0.00 H new ATOM 1468 N SER A 95 -12.366 -2.676 -21.296 1.00 0.00 N ATOM 1469 CA SER A 95 -13.163 -3.793 -20.820 1.00 0.00 C ATOM 1470 C SER A 95 -12.933 -3.999 -19.321 1.00 0.00 C ATOM 1471 O SER A 95 -11.880 -4.485 -18.912 1.00 0.00 O ATOM 1472 CB SER A 95 -12.831 -5.074 -21.588 1.00 0.00 C ATOM 1473 OG SER A 95 -13.842 -5.404 -22.537 1.00 0.00 O ATOM 0 H SER A 95 -12.906 -1.866 -21.600 1.00 0.00 H new ATOM 0 HA SER A 95 -14.214 -3.560 -20.992 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.877 -4.952 -22.102 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.711 -5.898 -20.884 1.00 0.00 H new ATOM 0 HG SER A 95 -13.593 -6.227 -23.008 1.00 0.00 H new ATOM 1479 N GLY A 96 -13.936 -3.618 -18.543 1.00 0.00 N ATOM 1480 CA GLY A 96 -13.856 -3.754 -17.099 1.00 0.00 C ATOM 1481 C GLY A 96 -14.332 -2.479 -16.401 1.00 0.00 C ATOM 1482 O GLY A 96 -15.281 -2.512 -15.619 1.00 0.00 O ATOM 0 H GLY A 96 -14.808 -3.215 -18.886 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.464 -4.599 -16.775 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.828 -3.971 -16.807 1.00 0.00 H new TER 1486 GLY A 96