USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1119 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 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -153:sc= 1.07 (180deg=-0.214!) USER MOD Set 2.1: A 59 HIS : no HE2:sc= 1.19 K(o=2.6,f=-6.8!) USER MOD Set 2.2: A 61 SER OG : rot 49:sc= 1.4 USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= 0.144 F(o=-1.1,f=0.34) USER MOD Set 3.2: A 74 TYR OH : rot -97:sc= 0.192 USER MOD Set 4.1: A 32 THR OG1 : rot 89:sc= 1.15 USER MOD Set 4.2: A 33 HIS : no HD1:sc= 1.68 K(o=2.8,f=-6.6!) USER MOD Set 5.1: A 18 HIS : no HD1:sc= -0.106 K(o=0.38,f=-5.2!) USER MOD Set 5.2: A 105 TYR OH : rot -165:sc= 0.487 USER MOD Set 5.3: A 119 HIS : no HD1:sc= 0 X(o=0.38,f=0.38) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.23 F(o=-1.1,f=-0.23) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0153) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 53:sc= -0.354 USER MOD Single : A 36 MET CE :methyl 158:sc= -3.83 (180deg=-6.55!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.0837 F(o=-0.94,f=-0.084) USER MOD Single : A 45 SER OG : rot 29:sc= 0.553 USER MOD Single : A 46 ASN : amide:sc= -0.0558 K(o=-0.056,f=-1.4!) USER MOD Single : A 49 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.32) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.956 (180deg=0.317) USER MOD Single : A 57 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -95:sc= 0.621 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.06) USER MOD Single : A 75 LYS NZ :NH3+ 141:sc= 0.717 (180deg=-0.196) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -111:sc= 0.195 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.96 K(o=-2,f=-10!) USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= -0.184 (180deg=-1.33) USER MOD Single : A 110 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.62) USER MOD Single : A 118 ASN : amide:sc= 0.159 K(o=0.16,f=-6.3!) USER MOD Single : A 122 CYS SG : rot 30:sc= 0.0905 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.31) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc=-0.00967 USER MOD Single : A 137 LYS NZ :NH3+ -173:sc= 0.79 (180deg=0.727) USER MOD Single : A 140 LYS NZ :NH3+ -144:sc= -0.0737 (180deg=-0.521) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.043 1.827 8.483 1.00 0.00 N ATOM 100 CA ALA A 9 21.647 1.545 8.188 1.00 0.00 C ATOM 101 C ALA A 9 21.083 2.572 7.220 1.00 0.00 C ATOM 102 O ALA A 9 21.140 3.775 7.474 1.00 0.00 O ATOM 103 CB ALA A 9 20.826 1.511 9.473 1.00 0.00 C ATOM 0 HA ALA A 9 21.589 0.565 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.784 1.299 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.213 0.733 10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.894 2.477 9.974 1.00 0.00 H new ATOM 109 N VAL A 10 20.554 2.093 6.107 1.00 0.00 N ATOM 110 CA VAL A 10 19.936 2.966 5.126 1.00 0.00 C ATOM 111 C VAL A 10 18.427 2.887 5.273 1.00 0.00 C ATOM 112 O VAL A 10 17.862 1.795 5.352 1.00 0.00 O ATOM 113 CB VAL A 10 20.345 2.614 3.679 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.828 3.667 2.711 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.858 2.474 3.548 1.00 0.00 C ATOM 0 H VAL A 10 20.541 1.103 5.861 1.00 0.00 H new ATOM 0 HA VAL A 10 20.285 3.981 5.315 1.00 0.00 H new ATOM 0 HB VAL A 10 19.896 1.653 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.125 3.405 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.741 3.714 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 10 20.248 4.638 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.113 2.226 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.336 3.414 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.209 1.682 4.209 1.00 0.00 H new ATOM 125 N GLN A 11 17.783 4.040 5.349 1.00 0.00 N ATOM 126 CA GLN A 11 16.356 4.096 5.617 1.00 0.00 C ATOM 127 C GLN A 11 15.594 4.624 4.409 1.00 0.00 C ATOM 128 O GLN A 11 15.937 5.671 3.859 1.00 0.00 O ATOM 129 CB GLN A 11 16.085 4.990 6.833 1.00 0.00 C ATOM 130 CG GLN A 11 16.977 4.680 8.025 1.00 0.00 C ATOM 131 CD GLN A 11 17.795 5.872 8.488 1.00 0.00 C ATOM 132 OE1 GLN A 11 17.244 7.065 8.345 1.00 0.00 O flip ATOM 133 NE2 GLN A 11 18.909 5.716 8.987 1.00 0.00 N flip ATOM 0 H GLN A 11 18.227 4.951 5.229 1.00 0.00 H new ATOM 0 HA GLN A 11 16.010 3.084 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.225 6.032 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.042 4.878 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.359 4.329 8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.651 3.865 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 11 19.299 4.778 9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 11 19.442 6.524 9.308 1.00 0.00 H new ATOM 142 N VAL A 12 14.573 3.893 3.992 1.00 0.00 N ATOM 143 CA VAL A 12 13.693 4.346 2.932 1.00 0.00 C ATOM 144 C VAL A 12 12.268 4.453 3.445 1.00 0.00 C ATOM 145 O VAL A 12 11.844 3.656 4.286 1.00 0.00 O ATOM 146 CB VAL A 12 13.721 3.417 1.708 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.863 3.792 0.783 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.822 1.966 2.132 1.00 0.00 C ATOM 0 H VAL A 12 14.334 2.978 4.375 1.00 0.00 H new ATOM 0 HA VAL A 12 14.055 5.325 2.617 1.00 0.00 H new ATOM 0 HB VAL A 12 12.785 3.541 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.868 3.124 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.734 4.820 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.809 3.702 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.840 1.329 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.737 1.817 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.961 1.706 2.749 1.00 0.00 H new ATOM 158 N LYS A 13 11.542 5.452 2.971 1.00 0.00 N ATOM 159 CA LYS A 13 10.166 5.638 3.388 1.00 0.00 C ATOM 160 C LYS A 13 9.181 5.267 2.291 1.00 0.00 C ATOM 161 O LYS A 13 9.291 5.724 1.151 1.00 0.00 O ATOM 162 CB LYS A 13 9.910 7.078 3.849 1.00 0.00 C ATOM 163 CG LYS A 13 10.398 7.356 5.278 1.00 0.00 C ATOM 164 CD LYS A 13 11.912 7.474 5.346 1.00 0.00 C ATOM 165 CE LYS A 13 12.384 7.658 6.777 1.00 0.00 C ATOM 166 NZ LYS A 13 13.702 8.340 6.849 1.00 0.00 N ATOM 0 H LYS A 13 11.882 6.142 2.301 1.00 0.00 H new ATOM 0 HA LYS A 13 10.006 4.965 4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.406 7.765 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.842 7.286 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.945 8.278 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.066 6.554 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.369 6.580 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.241 8.318 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.645 8.239 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.453 6.685 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.985 8.444 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.414 7.774 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.631 9.280 6.409 1.00 0.00 H new ATOM 180 N LEU A 14 8.228 4.420 2.650 1.00 0.00 N ATOM 181 CA LEU A 14 7.104 4.103 1.777 1.00 0.00 C ATOM 182 C LEU A 14 5.831 4.639 2.405 1.00 0.00 C ATOM 183 O LEU A 14 5.715 4.690 3.619 1.00 0.00 O ATOM 184 CB LEU A 14 6.974 2.600 1.552 1.00 0.00 C ATOM 185 CG LEU A 14 8.153 1.937 0.843 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.969 0.439 0.842 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.279 2.441 -0.586 1.00 0.00 C ATOM 0 H LEU A 14 8.210 3.935 3.547 1.00 0.00 H new ATOM 0 HA LEU A 14 7.276 4.568 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.835 2.116 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.071 2.414 0.970 1.00 0.00 H new ATOM 0 HG LEU A 14 9.067 2.193 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.812 -0.031 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.916 0.078 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.046 0.186 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.126 1.954 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.366 2.211 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.436 3.520 -0.579 1.00 0.00 H new ATOM 199 N GLU A 15 4.885 5.030 1.588 1.00 0.00 N ATOM 200 CA GLU A 15 3.702 5.710 2.073 1.00 0.00 C ATOM 201 C GLU A 15 2.441 4.899 1.786 1.00 0.00 C ATOM 202 O GLU A 15 2.190 4.511 0.644 1.00 0.00 O ATOM 203 CB GLU A 15 3.637 7.098 1.423 1.00 0.00 C ATOM 204 CG GLU A 15 2.524 7.994 1.936 1.00 0.00 C ATOM 205 CD GLU A 15 2.697 9.434 1.493 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.455 9.735 0.306 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.090 10.275 2.329 1.00 0.00 O ATOM 0 H GLU A 15 4.908 4.890 0.578 1.00 0.00 H new ATOM 0 HA GLU A 15 3.761 5.820 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.591 7.602 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.516 6.974 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.565 7.619 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.498 7.951 3.025 1.00 0.00 H new ATOM 214 N LEU A 16 1.668 4.633 2.838 1.00 0.00 N ATOM 215 CA LEU A 16 0.371 3.976 2.699 1.00 0.00 C ATOM 216 C LEU A 16 -0.700 5.030 2.630 1.00 0.00 C ATOM 217 O LEU A 16 -0.639 6.030 3.346 1.00 0.00 O ATOM 218 CB LEU A 16 0.019 3.057 3.878 1.00 0.00 C ATOM 219 CG LEU A 16 0.764 1.731 3.988 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.743 0.984 2.675 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.180 1.960 4.445 1.00 0.00 C ATOM 0 H LEU A 16 1.920 4.864 3.799 1.00 0.00 H new ATOM 0 HA LEU A 16 0.430 3.367 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.187 3.614 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.048 2.839 3.827 1.00 0.00 H new ATOM 0 HG LEU A 16 0.254 1.117 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.282 0.043 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.289 0.781 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.221 1.589 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.698 1.004 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.695 2.598 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.173 2.445 5.421 1.00 0.00 H new ATOM 233 N GLY A 17 -1.682 4.800 1.800 1.00 0.00 N ATOM 234 CA GLY A 17 -2.757 5.740 1.669 1.00 0.00 C ATOM 235 C GLY A 17 -4.015 5.089 1.188 1.00 0.00 C ATOM 236 O GLY A 17 -4.008 3.915 0.818 1.00 0.00 O ATOM 0 H GLY A 17 -1.758 3.973 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.941 6.217 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.467 6.527 0.973 1.00 0.00 H new ATOM 240 N HIS A 18 -5.095 5.843 1.213 1.00 0.00 N ATOM 241 CA HIS A 18 -6.351 5.401 0.643 1.00 0.00 C ATOM 242 C HIS A 18 -7.375 6.522 0.738 1.00 0.00 C ATOM 243 O HIS A 18 -7.328 7.345 1.656 1.00 0.00 O ATOM 244 CB HIS A 18 -6.853 4.110 1.337 1.00 0.00 C ATOM 245 CG HIS A 18 -8.002 4.297 2.281 1.00 0.00 C ATOM 246 ND1 HIS A 18 -7.890 4.976 3.475 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.295 3.900 2.194 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.061 4.991 4.079 1.00 0.00 C ATOM 249 NE2 HIS A 18 -9.926 4.346 3.324 1.00 0.00 N ATOM 0 H HIS A 18 -5.127 6.775 1.627 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.200 5.158 -0.409 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.148 3.395 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.022 3.665 1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.742 3.339 1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.275 5.454 5.031 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.911 4.202 3.546 1.00 0.00 H new ATOM 258 N ARG A 19 -8.283 6.552 -0.214 1.00 0.00 N ATOM 259 CA ARG A 19 -9.382 7.492 -0.192 1.00 0.00 C ATOM 260 C ARG A 19 -10.674 6.702 -0.184 1.00 0.00 C ATOM 261 O ARG A 19 -10.689 5.552 -0.611 1.00 0.00 O ATOM 262 CB ARG A 19 -9.368 8.414 -1.414 1.00 0.00 C ATOM 263 CG ARG A 19 -7.994 8.684 -2.007 1.00 0.00 C ATOM 264 CD ARG A 19 -8.057 9.807 -3.010 1.00 0.00 C ATOM 265 NE ARG A 19 -8.414 11.093 -2.417 1.00 0.00 N ATOM 266 CZ ARG A 19 -8.928 12.109 -3.112 1.00 0.00 C ATOM 267 NH1 ARG A 19 -9.166 11.977 -4.411 1.00 0.00 N ATOM 268 NH2 ARG A 19 -9.202 13.259 -2.508 1.00 0.00 N ATOM 0 H ARG A 19 -8.280 5.928 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.290 8.117 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.000 7.976 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.819 9.366 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.293 8.939 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.616 7.782 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.089 9.899 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.785 9.556 -3.781 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.262 11.221 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.956 11.097 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.559 12.756 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.020 13.367 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.595 14.034 -3.042 1.00 0.00 H new ATOM 282 N ALA A 20 -11.737 7.296 0.319 1.00 0.00 N ATOM 283 CA ALA A 20 -13.043 6.662 0.275 1.00 0.00 C ATOM 284 C ALA A 20 -14.127 7.692 0.009 1.00 0.00 C ATOM 285 O ALA A 20 -14.095 8.808 0.557 1.00 0.00 O ATOM 286 CB ALA A 20 -13.335 5.910 1.560 1.00 0.00 C ATOM 0 H ALA A 20 -11.725 8.215 0.762 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.035 5.941 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.320 5.447 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.580 5.138 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.315 6.604 2.400 1.00 0.00 H new ATOM 292 N GLN A 21 -15.062 7.307 -0.848 1.00 0.00 N ATOM 293 CA GLN A 21 -16.204 8.135 -1.188 1.00 0.00 C ATOM 294 C GLN A 21 -17.415 7.243 -1.415 1.00 0.00 C ATOM 295 O GLN A 21 -17.280 6.110 -1.883 1.00 0.00 O ATOM 296 CB GLN A 21 -15.898 9.002 -2.426 1.00 0.00 C ATOM 297 CG GLN A 21 -15.848 8.280 -3.771 1.00 0.00 C ATOM 298 CD GLN A 21 -17.166 8.317 -4.532 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.448 9.269 -5.259 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.964 7.268 -4.406 1.00 0.00 N ATOM 0 H GLN A 21 -15.047 6.407 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.421 8.817 -0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.653 9.786 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.939 9.495 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.070 8.730 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.562 7.241 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.699 6.496 -3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.844 7.232 -4.921 1.00 0.00 H new ATOM 309 N VAL A 22 -18.587 7.728 -1.063 1.00 0.00 N ATOM 310 CA VAL A 22 -19.793 6.937 -1.222 1.00 0.00 C ATOM 311 C VAL A 22 -20.576 7.403 -2.436 1.00 0.00 C ATOM 312 O VAL A 22 -20.621 8.594 -2.746 1.00 0.00 O ATOM 313 CB VAL A 22 -20.698 6.994 0.032 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.371 8.345 0.171 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.742 5.887 0.012 1.00 0.00 C ATOM 0 H VAL A 22 -18.732 8.657 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.479 5.902 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.053 6.844 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.999 8.349 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.612 9.122 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.987 8.537 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.361 5.955 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.369 5.994 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.244 4.918 -0.012 1.00 0.00 H new ATOM 325 N ARG A 23 -21.155 6.457 -3.140 1.00 0.00 N ATOM 326 CA ARG A 23 -22.114 6.768 -4.179 1.00 0.00 C ATOM 327 C ARG A 23 -23.504 6.606 -3.598 1.00 0.00 C ATOM 328 O ARG A 23 -23.783 5.623 -2.907 1.00 0.00 O ATOM 329 CB ARG A 23 -21.917 5.865 -5.400 1.00 0.00 C ATOM 330 CG ARG A 23 -21.314 4.515 -5.063 1.00 0.00 C ATOM 331 CD ARG A 23 -21.810 3.419 -5.992 1.00 0.00 C ATOM 332 NE ARG A 23 -21.540 3.714 -7.397 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.645 3.054 -8.137 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.848 2.154 -7.572 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.517 3.329 -9.430 1.00 0.00 N ATOM 0 H ARG A 23 -20.978 5.461 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.972 7.793 -4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.880 5.712 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.273 6.373 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.228 4.578 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.560 4.256 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.333 2.476 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.883 3.285 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.066 4.468 -7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.919 1.966 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.165 1.651 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.103 4.045 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.833 2.824 -9.994 1.00 0.00 H new ATOM 349 N LYS A 24 -24.367 7.577 -3.852 1.00 0.00 N ATOM 350 CA LYS A 24 -25.679 7.605 -3.227 1.00 0.00 C ATOM 351 C LYS A 24 -26.573 6.504 -3.787 1.00 0.00 C ATOM 352 O LYS A 24 -27.681 6.274 -3.295 1.00 0.00 O ATOM 353 CB LYS A 24 -26.329 8.968 -3.414 1.00 0.00 C ATOM 354 CG LYS A 24 -27.024 9.476 -2.163 1.00 0.00 C ATOM 355 CD LYS A 24 -26.014 9.824 -1.080 1.00 0.00 C ATOM 356 CE LYS A 24 -26.689 10.192 0.233 1.00 0.00 C ATOM 357 NZ LYS A 24 -27.250 9.001 0.928 1.00 0.00 N ATOM 0 H LYS A 24 -24.183 8.355 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.550 7.426 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.568 9.688 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -27.054 8.909 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -27.620 10.356 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -27.713 8.717 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -25.348 8.976 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -25.395 10.657 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -25.968 10.685 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -27.488 10.909 0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -27.655 9.291 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -27.993 8.574 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -26.494 8.305 1.090 1.00 0.00 H new ATOM 371 N LYS A 25 -26.081 5.835 -4.819 1.00 0.00 N ATOM 372 CA LYS A 25 -26.759 4.688 -5.387 1.00 0.00 C ATOM 373 C LYS A 25 -25.764 3.538 -5.568 1.00 0.00 C ATOM 374 O LYS A 25 -24.822 3.641 -6.364 1.00 0.00 O ATOM 375 CB LYS A 25 -27.396 5.046 -6.733 1.00 0.00 C ATOM 376 CG LYS A 25 -28.195 3.920 -7.338 1.00 0.00 C ATOM 377 CD LYS A 25 -29.505 3.687 -6.606 1.00 0.00 C ATOM 378 CE LYS A 25 -30.225 2.482 -7.183 1.00 0.00 C ATOM 379 NZ LYS A 25 -31.387 2.066 -6.354 1.00 0.00 N ATOM 0 H LYS A 25 -25.204 6.074 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.551 4.378 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -28.045 5.911 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.612 5.340 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -28.401 4.144 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -27.603 3.005 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -29.313 3.530 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -30.138 4.571 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -30.566 2.715 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -29.526 1.650 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -31.846 1.240 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -31.060 1.818 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -32.069 2.849 -6.294 1.00 0.00 H new ATOM 393 N PRO A 26 -25.941 2.442 -4.808 1.00 0.00 N ATOM 394 CA PRO A 26 -25.093 1.250 -4.916 1.00 0.00 C ATOM 395 C PRO A 26 -25.182 0.602 -6.290 1.00 0.00 C ATOM 396 O PRO A 26 -26.142 0.816 -7.033 1.00 0.00 O ATOM 397 CB PRO A 26 -25.648 0.296 -3.852 1.00 0.00 C ATOM 398 CG PRO A 26 -26.466 1.145 -2.944 1.00 0.00 C ATOM 399 CD PRO A 26 -26.978 2.283 -3.779 1.00 0.00 C ATOM 0 HA PRO A 26 -24.041 1.498 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -26.253 -0.489 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.842 -0.197 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.291 0.575 -2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.867 1.513 -2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.949 2.054 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -27.101 3.191 -3.189 1.00 0.00 H new ATOM 407 N THR A 27 -24.176 -0.193 -6.617 1.00 0.00 N ATOM 408 CA THR A 27 -24.156 -0.911 -7.880 1.00 0.00 C ATOM 409 C THR A 27 -25.090 -2.116 -7.803 1.00 0.00 C ATOM 410 O THR A 27 -25.696 -2.361 -6.759 1.00 0.00 O ATOM 411 CB THR A 27 -22.718 -1.367 -8.252 1.00 0.00 C ATOM 412 OG1 THR A 27 -22.710 -2.078 -9.498 1.00 0.00 O ATOM 413 CG2 THR A 27 -22.121 -2.249 -7.165 1.00 0.00 C ATOM 0 H THR A 27 -23.362 -0.357 -6.024 1.00 0.00 H new ATOM 0 HA THR A 27 -24.501 -0.234 -8.662 1.00 0.00 H new ATOM 0 HB THR A 27 -22.111 -0.467 -8.350 1.00 0.00 H new ATOM 0 HG1 THR A 27 -23.152 -1.538 -10.186 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.115 -2.552 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 27 -22.078 -1.693 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.743 -3.135 -7.033 1.00 0.00 H new ATOM 421 N VAL A 28 -25.200 -2.856 -8.897 1.00 0.00 N ATOM 422 CA VAL A 28 -26.040 -4.048 -8.965 1.00 0.00 C ATOM 423 C VAL A 28 -25.818 -4.974 -7.766 1.00 0.00 C ATOM 424 O VAL A 28 -26.769 -5.490 -7.180 1.00 0.00 O ATOM 425 CB VAL A 28 -25.777 -4.815 -10.277 1.00 0.00 C ATOM 426 CG1 VAL A 28 -24.281 -4.960 -10.534 1.00 0.00 C ATOM 427 CG2 VAL A 28 -26.450 -6.179 -10.254 1.00 0.00 C ATOM 0 H VAL A 28 -24.709 -2.648 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 28 -27.078 -3.715 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.208 -4.236 -11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -24.123 -5.504 -11.465 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.827 -3.972 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.822 -5.508 -9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -26.249 -6.700 -11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.058 -6.764 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.526 -6.052 -10.133 1.00 0.00 H new ATOM 437 N GLU A 29 -24.562 -5.142 -7.380 1.00 0.00 N ATOM 438 CA GLU A 29 -24.205 -6.055 -6.306 1.00 0.00 C ATOM 439 C GLU A 29 -24.305 -5.377 -4.938 1.00 0.00 C ATOM 440 O GLU A 29 -23.969 -5.967 -3.914 1.00 0.00 O ATOM 441 CB GLU A 29 -22.802 -6.589 -6.547 1.00 0.00 C ATOM 442 CG GLU A 29 -22.643 -7.236 -7.916 1.00 0.00 C ATOM 443 CD GLU A 29 -21.262 -7.805 -8.134 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.945 -8.849 -7.526 1.00 0.00 O ATOM 445 OE2 GLU A 29 -20.487 -7.213 -8.919 1.00 0.00 O ATOM 0 H GLU A 29 -23.769 -4.655 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.911 -6.885 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -22.086 -5.773 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.559 -7.319 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.381 -8.031 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.853 -6.497 -8.689 1.00 0.00 H new ATOM 452 N GLY A 30 -24.747 -4.127 -4.935 1.00 0.00 N ATOM 453 CA GLY A 30 -25.042 -3.440 -3.692 1.00 0.00 C ATOM 454 C GLY A 30 -23.811 -2.893 -3.008 1.00 0.00 C ATOM 455 O GLY A 30 -23.742 -2.849 -1.779 1.00 0.00 O ATOM 0 H GLY A 30 -24.908 -3.573 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.733 -2.621 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.550 -4.128 -3.016 1.00 0.00 H new ATOM 459 N PHE A 31 -22.839 -2.476 -3.797 1.00 0.00 N ATOM 460 CA PHE A 31 -21.639 -1.866 -3.258 1.00 0.00 C ATOM 461 C PHE A 31 -21.836 -0.353 -3.196 1.00 0.00 C ATOM 462 O PHE A 31 -22.136 0.285 -4.208 1.00 0.00 O ATOM 463 CB PHE A 31 -20.417 -2.231 -4.111 1.00 0.00 C ATOM 464 CG PHE A 31 -20.248 -3.715 -4.356 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.696 -4.651 -3.434 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.636 -4.171 -5.510 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.539 -6.004 -3.664 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.476 -5.521 -5.745 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.928 -6.438 -4.821 1.00 0.00 C ATOM 0 H PHE A 31 -22.857 -2.549 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.457 -2.243 -2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.495 -1.723 -5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.520 -1.851 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.174 -4.317 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -19.278 -3.459 -6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.894 -6.721 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.997 -5.859 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.804 -7.495 -5.003 1.00 0.00 H new ATOM 479 N THR A 32 -21.697 0.201 -2.000 1.00 0.00 N ATOM 480 CA THR A 32 -22.027 1.601 -1.741 1.00 0.00 C ATOM 481 C THR A 32 -20.787 2.501 -1.708 1.00 0.00 C ATOM 482 O THR A 32 -20.837 3.667 -2.101 1.00 0.00 O ATOM 483 CB THR A 32 -22.757 1.735 -0.392 1.00 0.00 C ATOM 484 OG1 THR A 32 -21.933 1.225 0.665 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.065 0.994 -0.413 1.00 0.00 C ATOM 0 H THR A 32 -21.354 -0.303 -1.182 1.00 0.00 H new ATOM 0 HA THR A 32 -22.666 1.924 -2.562 1.00 0.00 H new ATOM 0 HB THR A 32 -22.959 2.792 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.362 1.943 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.561 1.104 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.702 1.402 -1.198 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.882 -0.063 -0.608 1.00 0.00 H new ATOM 493 N HIS A 33 -19.682 1.955 -1.229 1.00 0.00 N ATOM 494 CA HIS A 33 -18.488 2.739 -0.940 1.00 0.00 C ATOM 495 C HIS A 33 -17.359 2.416 -1.910 1.00 0.00 C ATOM 496 O HIS A 33 -16.939 1.269 -2.021 1.00 0.00 O ATOM 497 CB HIS A 33 -18.041 2.468 0.501 1.00 0.00 C ATOM 498 CG HIS A 33 -18.790 3.258 1.528 1.00 0.00 C ATOM 499 ND1 HIS A 33 -19.979 2.845 2.092 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.495 4.442 2.109 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.378 3.743 2.975 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.496 4.723 3.004 1.00 0.00 N ATOM 0 H HIS A 33 -19.585 0.959 -1.029 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.731 3.795 -1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.162 1.406 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.978 2.692 0.589 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.629 5.055 1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.276 3.684 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.549 5.553 3.594 1.00 0.00 H new ATOM 511 N ASP A 34 -16.872 3.437 -2.598 1.00 0.00 N ATOM 512 CA ASP A 34 -15.751 3.286 -3.518 1.00 0.00 C ATOM 513 C ASP A 34 -14.495 3.825 -2.867 1.00 0.00 C ATOM 514 O ASP A 34 -14.493 4.937 -2.333 1.00 0.00 O ATOM 515 CB ASP A 34 -16.002 4.036 -4.828 1.00 0.00 C ATOM 516 CG ASP A 34 -17.073 3.398 -5.687 1.00 0.00 C ATOM 517 OD1 ASP A 34 -18.264 3.695 -5.472 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.723 2.610 -6.592 1.00 0.00 O ATOM 0 H ASP A 34 -17.238 4.387 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.636 2.226 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.291 5.062 -4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.072 4.084 -5.395 1.00 0.00 H new ATOM 523 N TRP A 35 -13.434 3.048 -2.905 1.00 0.00 N ATOM 524 CA TRP A 35 -12.192 3.467 -2.296 1.00 0.00 C ATOM 525 C TRP A 35 -11.003 3.181 -3.200 1.00 0.00 C ATOM 526 O TRP A 35 -11.067 2.338 -4.097 1.00 0.00 O ATOM 527 CB TRP A 35 -11.996 2.816 -0.919 1.00 0.00 C ATOM 528 CG TRP A 35 -12.078 1.313 -0.898 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.137 0.547 -0.487 1.00 0.00 C ATOM 530 CD2 TRP A 35 -11.039 0.396 -1.273 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.818 -0.790 -0.595 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.536 -0.906 -1.073 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.738 0.551 -1.760 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.772 -2.044 -1.343 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.983 -0.576 -2.024 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.499 -1.856 -1.814 1.00 0.00 C ATOM 0 H TRP A 35 -13.407 2.130 -3.348 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.252 4.546 -2.153 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.023 3.115 -0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.748 3.214 -0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.081 0.933 -0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.435 -1.567 -0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.329 1.536 -1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.170 -3.036 -1.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.976 -0.465 -2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.882 -2.716 -2.027 1.00 0.00 H new ATOM 547 N MET A 36 -9.931 3.908 -2.955 1.00 0.00 N ATOM 548 CA MET A 36 -8.674 3.710 -3.654 1.00 0.00 C ATOM 549 C MET A 36 -7.540 3.658 -2.649 1.00 0.00 C ATOM 550 O MET A 36 -7.516 4.449 -1.716 1.00 0.00 O ATOM 551 CB MET A 36 -8.409 4.842 -4.648 1.00 0.00 C ATOM 552 CG MET A 36 -6.974 4.862 -5.151 1.00 0.00 C ATOM 553 SD MET A 36 -6.592 6.313 -6.130 1.00 0.00 S ATOM 554 CE MET A 36 -6.804 7.551 -4.866 1.00 0.00 C ATOM 0 H MET A 36 -9.906 4.656 -2.263 1.00 0.00 H new ATOM 0 HA MET A 36 -8.736 2.772 -4.205 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.085 4.739 -5.497 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.636 5.797 -4.173 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.296 4.817 -4.299 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.793 3.969 -5.750 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.253 8.450 -5.142 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.863 7.790 -4.765 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.426 7.171 -3.917 1.00 0.00 H new ATOM 564 N VAL A 37 -6.613 2.735 -2.834 1.00 0.00 N ATOM 565 CA VAL A 37 -5.464 2.620 -1.946 1.00 0.00 C ATOM 566 C VAL A 37 -4.196 3.151 -2.584 1.00 0.00 C ATOM 567 O VAL A 37 -4.058 3.154 -3.806 1.00 0.00 O ATOM 568 CB VAL A 37 -5.223 1.177 -1.493 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.882 0.931 -0.168 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.739 0.200 -2.527 1.00 0.00 C ATOM 0 H VAL A 37 -6.631 2.052 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.707 3.228 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.149 1.025 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.703 -0.098 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.468 1.611 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.955 1.101 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.558 -0.820 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.809 0.351 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.222 0.364 -3.472 1.00 0.00 H new ATOM 580 N PHE A 38 -3.282 3.571 -1.722 1.00 0.00 N ATOM 581 CA PHE A 38 -2.030 4.208 -2.107 1.00 0.00 C ATOM 582 C PHE A 38 -0.828 3.473 -1.527 1.00 0.00 C ATOM 583 O PHE A 38 -0.764 3.243 -0.319 1.00 0.00 O ATOM 584 CB PHE A 38 -1.995 5.636 -1.556 1.00 0.00 C ATOM 585 CG PHE A 38 -2.365 6.728 -2.510 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.400 7.271 -3.330 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.651 7.240 -2.557 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.700 8.304 -4.193 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.964 8.271 -3.420 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.990 8.807 -4.241 1.00 0.00 C ATOM 0 H PHE A 38 -3.392 3.477 -0.712 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.978 4.194 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.668 5.688 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.990 5.834 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.393 6.882 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.415 6.829 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.932 8.719 -4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.971 8.659 -3.454 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.233 9.614 -4.917 1.00 0.00 H new ATOM 600 N VAL A 39 0.101 3.087 -2.387 1.00 0.00 N ATOM 601 CA VAL A 39 1.447 2.747 -1.958 1.00 0.00 C ATOM 602 C VAL A 39 2.462 3.417 -2.883 1.00 0.00 C ATOM 603 O VAL A 39 2.406 3.262 -4.101 1.00 0.00 O ATOM 604 CB VAL A 39 1.684 1.224 -1.894 1.00 0.00 C ATOM 605 CG1 VAL A 39 1.018 0.650 -0.666 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.161 0.527 -3.130 1.00 0.00 C ATOM 0 H VAL A 39 -0.054 3.001 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 39 1.575 3.119 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 39 2.760 1.057 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.190 -0.426 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.436 1.116 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.054 0.845 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.346 -0.544 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.090 0.705 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.670 0.917 -4.011 1.00 0.00 H new ATOM 616 N ARG A 40 3.351 4.205 -2.301 1.00 0.00 N ATOM 617 CA ARG A 40 4.337 4.973 -3.060 1.00 0.00 C ATOM 618 C ARG A 40 5.387 5.521 -2.116 1.00 0.00 C ATOM 619 O ARG A 40 5.403 5.183 -0.941 1.00 0.00 O ATOM 620 CB ARG A 40 3.684 6.155 -3.785 1.00 0.00 C ATOM 621 CG ARG A 40 3.038 7.145 -2.821 1.00 0.00 C ATOM 622 CD ARG A 40 2.880 8.544 -3.408 1.00 0.00 C ATOM 623 NE ARG A 40 2.326 9.461 -2.412 1.00 0.00 N ATOM 624 CZ ARG A 40 1.474 10.445 -2.683 1.00 0.00 C ATOM 625 NH1 ARG A 40 1.104 10.697 -3.929 1.00 0.00 N ATOM 626 NH2 ARG A 40 1.003 11.191 -1.695 1.00 0.00 N ATOM 0 H ARG A 40 3.413 4.333 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 40 4.785 4.305 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.436 6.671 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.929 5.781 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.058 6.769 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.641 7.205 -1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.847 8.912 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.226 8.507 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 40 2.614 9.337 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.473 10.133 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.450 11.455 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.294 11.009 -0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.349 11.948 -1.895 1.00 0.00 H new ATOM 640 N GLY A 41 6.276 6.340 -2.643 1.00 0.00 N ATOM 641 CA GLY A 41 7.195 7.066 -1.799 1.00 0.00 C ATOM 642 C GLY A 41 6.736 8.495 -1.597 1.00 0.00 C ATOM 643 O GLY A 41 5.944 9.004 -2.391 1.00 0.00 O ATOM 0 H GLY A 41 6.379 6.516 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.278 6.567 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.188 7.060 -2.248 1.00 0.00 H new ATOM 647 N PRO A 42 7.201 9.157 -0.532 1.00 0.00 N ATOM 648 CA PRO A 42 6.852 10.551 -0.230 1.00 0.00 C ATOM 649 C PRO A 42 7.225 11.524 -1.336 1.00 0.00 C ATOM 650 O PRO A 42 7.818 11.146 -2.352 1.00 0.00 O ATOM 651 CB PRO A 42 7.656 10.866 1.036 1.00 0.00 C ATOM 652 CG PRO A 42 7.964 9.542 1.635 1.00 0.00 C ATOM 653 CD PRO A 42 8.093 8.585 0.488 1.00 0.00 C ATOM 0 HA PRO A 42 5.774 10.662 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.568 11.413 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.082 11.487 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.886 9.582 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.173 9.229 2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.121 8.520 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.788 7.577 0.769 1.00 0.00 H new ATOM 661 N GLU A 43 6.837 12.771 -1.132 1.00 0.00 N ATOM 662 CA GLU A 43 7.146 13.853 -2.049 1.00 0.00 C ATOM 663 C GLU A 43 8.609 13.812 -2.468 1.00 0.00 C ATOM 664 O GLU A 43 9.498 13.790 -1.623 1.00 0.00 O ATOM 665 CB GLU A 43 6.842 15.209 -1.400 1.00 0.00 C ATOM 666 CG GLU A 43 5.379 15.411 -1.019 1.00 0.00 C ATOM 667 CD GLU A 43 4.987 14.687 0.256 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.648 13.485 0.191 1.00 0.00 O ATOM 669 OE2 GLU A 43 5.014 15.314 1.334 1.00 0.00 O ATOM 0 H GLU A 43 6.295 13.063 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 43 6.522 13.726 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.456 15.316 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.139 16.002 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.186 16.477 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.746 15.063 -1.836 1.00 0.00 H new ATOM 676 N HIS A 44 8.824 13.717 -3.774 1.00 0.00 N ATOM 677 CA HIS A 44 10.151 13.834 -4.403 1.00 0.00 C ATOM 678 C HIS A 44 10.979 12.546 -4.265 1.00 0.00 C ATOM 679 O HIS A 44 11.886 12.307 -5.057 1.00 0.00 O ATOM 680 CB HIS A 44 10.926 15.076 -3.864 1.00 0.00 C ATOM 681 CG HIS A 44 12.108 14.768 -2.983 1.00 0.00 C ATOM 682 ND1 HIS A 44 12.198 14.611 -1.642 1.00 0.00 N flip ATOM 683 CD2 HIS A 44 13.381 14.578 -3.471 1.00 0.00 C flip ATOM 684 CE1 HIS A 44 13.508 14.325 -1.346 1.00 0.00 C flip ATOM 685 NE2 HIS A 44 14.197 14.313 -2.470 1.00 0.00 N flip ATOM 0 H HIS A 44 8.074 13.554 -4.445 1.00 0.00 H new ATOM 0 HA HIS A 44 9.984 13.984 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.272 15.664 -4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.231 15.702 -3.305 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.432 14.691 -0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.667 14.637 -4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.907 14.141 -0.359 1.00 0.00 H new ATOM 694 N SER A 45 10.671 11.723 -3.276 1.00 0.00 N ATOM 695 CA SER A 45 11.350 10.442 -3.118 1.00 0.00 C ATOM 696 C SER A 45 10.738 9.406 -4.055 1.00 0.00 C ATOM 697 O SER A 45 9.573 9.028 -3.901 1.00 0.00 O ATOM 698 CB SER A 45 11.253 9.978 -1.663 1.00 0.00 C ATOM 699 OG SER A 45 9.990 10.294 -1.120 1.00 0.00 O ATOM 0 H SER A 45 9.959 11.915 -2.572 1.00 0.00 H new ATOM 0 HA SER A 45 12.402 10.560 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.419 8.902 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.037 10.452 -1.072 1.00 0.00 H new ATOM 0 HG SER A 45 9.320 10.304 -1.835 1.00 0.00 H new ATOM 705 N ASN A 46 11.513 8.963 -5.038 1.00 0.00 N ATOM 706 CA ASN A 46 11.031 7.962 -5.977 1.00 0.00 C ATOM 707 C ASN A 46 11.426 6.579 -5.503 1.00 0.00 C ATOM 708 O ASN A 46 12.603 6.300 -5.278 1.00 0.00 O ATOM 709 CB ASN A 46 11.582 8.218 -7.385 1.00 0.00 C ATOM 710 CG ASN A 46 10.843 9.329 -8.105 1.00 0.00 C ATOM 711 OD1 ASN A 46 9.652 9.552 -7.877 1.00 0.00 O ATOM 712 ND2 ASN A 46 11.537 10.035 -8.985 1.00 0.00 N ATOM 0 H ASN A 46 12.469 9.279 -5.203 1.00 0.00 H new ATOM 0 HA ASN A 46 9.944 8.028 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.639 8.474 -7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.513 7.301 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.087 10.792 -9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.521 9.822 -9.148 1.00 0.00 H new ATOM 719 N ILE A 47 10.446 5.703 -5.379 1.00 0.00 N ATOM 720 CA ILE A 47 10.693 4.379 -4.845 1.00 0.00 C ATOM 721 C ILE A 47 11.027 3.385 -5.936 1.00 0.00 C ATOM 722 O ILE A 47 11.594 2.347 -5.651 1.00 0.00 O ATOM 723 CB ILE A 47 9.512 3.833 -4.053 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.347 3.544 -4.976 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.127 4.805 -2.965 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.266 2.736 -4.309 1.00 0.00 C ATOM 0 H ILE A 47 9.477 5.884 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 47 11.545 4.498 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 47 9.800 2.894 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.926 4.485 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.708 3.007 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.282 4.407 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.972 4.952 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.848 5.759 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.456 2.558 -5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.676 1.781 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.882 3.283 -3.448 1.00 0.00 H new ATOM 738 N GLN A 48 10.693 3.713 -7.183 1.00 0.00 N ATOM 739 CA GLN A 48 10.945 2.822 -8.324 1.00 0.00 C ATOM 740 C GLN A 48 12.444 2.503 -8.436 1.00 0.00 C ATOM 741 O GLN A 48 12.867 1.644 -9.212 1.00 0.00 O ATOM 742 CB GLN A 48 10.433 3.489 -9.611 1.00 0.00 C ATOM 743 CG GLN A 48 10.510 2.620 -10.861 1.00 0.00 C ATOM 744 CD GLN A 48 9.402 1.583 -10.962 1.00 0.00 C ATOM 745 OE1 GLN A 48 8.194 1.941 -10.553 1.00 0.00 O flip ATOM 746 NE2 GLN A 48 9.623 0.479 -11.458 1.00 0.00 N flip ATOM 0 H GLN A 48 10.244 4.594 -7.434 1.00 0.00 H new ATOM 0 HA GLN A 48 10.414 1.882 -8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.396 3.790 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.007 4.399 -9.784 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.474 3.263 -11.741 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.473 2.110 -10.878 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.566 0.236 -11.762 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.863 -0.193 -11.565 1.00 0.00 H new ATOM 755 N HIS A 49 13.233 3.202 -7.635 1.00 0.00 N ATOM 756 CA HIS A 49 14.664 2.967 -7.548 1.00 0.00 C ATOM 757 C HIS A 49 14.961 1.747 -6.679 1.00 0.00 C ATOM 758 O HIS A 49 15.814 0.930 -7.021 1.00 0.00 O ATOM 759 CB HIS A 49 15.380 4.200 -6.985 1.00 0.00 C ATOM 760 CG HIS A 49 15.770 5.195 -8.030 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.384 4.843 -9.213 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.625 6.538 -8.073 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.595 5.923 -9.936 1.00 0.00 C ATOM 764 NE2 HIS A 49 16.146 6.965 -9.268 1.00 0.00 N ATOM 0 H HIS A 49 12.898 3.949 -7.027 1.00 0.00 H new ATOM 0 HA HIS A 49 15.035 2.775 -8.555 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.730 4.686 -6.257 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.274 3.878 -6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 49 15.182 7.159 -7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 49 17.058 5.950 -10.911 1.00 0.00 H new ATOM 0 HE2 HIS A 49 16.180 7.933 -9.587 1.00 0.00 H new ATOM 773 N PHE A 50 14.243 1.613 -5.564 1.00 0.00 N ATOM 774 CA PHE A 50 14.480 0.505 -4.645 1.00 0.00 C ATOM 775 C PHE A 50 13.276 -0.438 -4.584 1.00 0.00 C ATOM 776 O PHE A 50 13.302 -1.454 -3.889 1.00 0.00 O ATOM 777 CB PHE A 50 14.873 1.019 -3.242 1.00 0.00 C ATOM 778 CG PHE A 50 13.866 1.903 -2.552 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.781 1.372 -1.874 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.029 3.275 -2.563 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.878 2.195 -1.234 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.127 4.101 -1.925 1.00 0.00 C ATOM 783 CZ PHE A 50 12.048 3.561 -1.262 1.00 0.00 C ATOM 0 H PHE A 50 13.500 2.252 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 50 15.321 -0.071 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.067 0.157 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.810 1.569 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.641 0.302 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.874 3.707 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.036 1.767 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.267 5.172 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.338 4.206 -0.766 1.00 0.00 H new ATOM 793 N VAL A 51 12.243 -0.109 -5.351 1.00 0.00 N ATOM 794 CA VAL A 51 11.010 -0.881 -5.384 1.00 0.00 C ATOM 795 C VAL A 51 10.729 -1.364 -6.805 1.00 0.00 C ATOM 796 O VAL A 51 10.892 -0.620 -7.772 1.00 0.00 O ATOM 797 CB VAL A 51 9.824 -0.046 -4.837 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.486 -0.728 -5.082 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.012 0.196 -3.351 1.00 0.00 C ATOM 0 H VAL A 51 12.239 0.703 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 51 11.128 -1.753 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 51 9.813 0.904 -5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.683 -0.108 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.339 -0.867 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.476 -1.698 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.177 0.783 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.052 -0.760 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.943 0.739 -3.186 1.00 0.00 H new ATOM 809 N GLU A 52 10.328 -2.623 -6.912 1.00 0.00 N ATOM 810 CA GLU A 52 10.189 -3.296 -8.201 1.00 0.00 C ATOM 811 C GLU A 52 8.729 -3.329 -8.651 1.00 0.00 C ATOM 812 O GLU A 52 8.380 -2.837 -9.723 1.00 0.00 O ATOM 813 CB GLU A 52 10.731 -4.725 -8.071 1.00 0.00 C ATOM 814 CG GLU A 52 10.775 -5.517 -9.370 1.00 0.00 C ATOM 815 CD GLU A 52 11.723 -4.921 -10.388 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.928 -4.803 -10.085 1.00 0.00 O ATOM 817 OE2 GLU A 52 11.275 -4.594 -11.505 1.00 0.00 O ATOM 0 H GLU A 52 10.090 -3.208 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 52 10.755 -2.746 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.738 -4.679 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.115 -5.267 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.077 -6.542 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.773 -5.563 -9.796 1.00 0.00 H new ATOM 824 N LYS A 53 7.888 -3.924 -7.821 1.00 0.00 N ATOM 825 CA LYS A 53 6.471 -4.082 -8.113 1.00 0.00 C ATOM 826 C LYS A 53 5.667 -3.953 -6.829 1.00 0.00 C ATOM 827 O LYS A 53 6.235 -3.815 -5.755 1.00 0.00 O ATOM 828 CB LYS A 53 6.217 -5.449 -8.750 1.00 0.00 C ATOM 829 CG LYS A 53 6.723 -6.609 -7.906 1.00 0.00 C ATOM 830 CD LYS A 53 6.217 -7.948 -8.373 1.00 0.00 C ATOM 831 CE LYS A 53 4.788 -8.153 -7.951 1.00 0.00 C ATOM 832 NZ LYS A 53 4.476 -7.545 -6.631 1.00 0.00 N ATOM 0 H LYS A 53 8.170 -4.313 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 53 6.161 -3.304 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.147 -5.571 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.699 -5.482 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.813 -6.614 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.421 -6.455 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.294 -8.013 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.840 -8.742 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.128 -7.726 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.577 -9.222 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.510 -7.805 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.150 -7.894 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.550 -6.510 -6.699 1.00 0.00 H new ATOM 846 N VAL A 54 4.353 -4.021 -6.932 1.00 0.00 N ATOM 847 CA VAL A 54 3.495 -3.873 -5.772 1.00 0.00 C ATOM 848 C VAL A 54 2.289 -4.782 -5.888 1.00 0.00 C ATOM 849 O VAL A 54 1.912 -5.169 -6.992 1.00 0.00 O ATOM 850 CB VAL A 54 3.077 -2.404 -5.606 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.736 -2.243 -4.910 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.149 -1.682 -4.823 1.00 0.00 C ATOM 0 H VAL A 54 3.856 -4.178 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 54 4.048 -4.168 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 54 2.964 -1.977 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.496 -1.183 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.962 -2.743 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.787 -2.687 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.866 -0.637 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.261 -2.148 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.094 -1.739 -5.362 1.00 0.00 H new ATOM 862 N VAL A 55 1.720 -5.156 -4.753 1.00 0.00 N ATOM 863 CA VAL A 55 0.574 -6.037 -4.738 1.00 0.00 C ATOM 864 C VAL A 55 -0.379 -5.660 -3.610 1.00 0.00 C ATOM 865 O VAL A 55 0.042 -5.180 -2.556 1.00 0.00 O ATOM 866 CB VAL A 55 1.010 -7.516 -4.623 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.481 -8.176 -3.362 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.563 -8.282 -5.851 1.00 0.00 C ATOM 0 H VAL A 55 2.038 -4.860 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 55 0.045 -5.920 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 55 2.098 -7.535 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.814 -9.213 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.857 -7.644 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.609 -8.145 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.873 -9.323 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.523 -8.233 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.016 -7.842 -6.739 1.00 0.00 H new ATOM 878 N PHE A 56 -1.657 -5.868 -3.854 1.00 0.00 N ATOM 879 CA PHE A 56 -2.685 -5.625 -2.863 1.00 0.00 C ATOM 880 C PHE A 56 -3.498 -6.886 -2.677 1.00 0.00 C ATOM 881 O PHE A 56 -3.928 -7.483 -3.652 1.00 0.00 O ATOM 882 CB PHE A 56 -3.609 -4.482 -3.299 1.00 0.00 C ATOM 883 CG PHE A 56 -3.034 -3.115 -3.089 1.00 0.00 C ATOM 884 CD1 PHE A 56 -2.072 -2.610 -3.949 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.469 -2.328 -2.038 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.552 -1.348 -3.762 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.949 -1.063 -1.847 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.991 -0.572 -2.710 1.00 0.00 C ATOM 0 H PHE A 56 -2.012 -6.211 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.207 -5.341 -1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.848 -4.605 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.547 -4.558 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.726 -3.213 -4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.221 -2.706 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.801 -0.967 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.293 -0.457 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.586 0.418 -2.562 1.00 0.00 H new ATOM 898 N HIS A 57 -3.684 -7.310 -1.444 1.00 0.00 N ATOM 899 CA HIS A 57 -4.534 -8.458 -1.167 1.00 0.00 C ATOM 900 C HIS A 57 -5.826 -7.973 -0.541 1.00 0.00 C ATOM 901 O HIS A 57 -5.950 -7.925 0.683 1.00 0.00 O ATOM 902 CB HIS A 57 -3.848 -9.446 -0.215 1.00 0.00 C ATOM 903 CG HIS A 57 -2.562 -10.022 -0.727 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.456 -11.311 -1.201 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.315 -9.494 -0.798 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.201 -11.552 -1.533 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.487 -10.468 -1.297 1.00 0.00 N ATOM 0 H HIS A 57 -3.262 -6.882 -0.619 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.733 -8.975 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.653 -8.941 0.731 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.537 -10.263 -0.004 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.027 -8.493 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.822 -12.482 -1.931 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.515 -10.370 -1.459 1.00 0.00 H new ATOM 916 N LEU A 58 -6.776 -7.584 -1.379 1.00 0.00 N ATOM 917 CA LEU A 58 -8.056 -7.083 -0.884 1.00 0.00 C ATOM 918 C LEU A 58 -8.838 -8.213 -0.213 1.00 0.00 C ATOM 919 O LEU A 58 -8.359 -9.345 -0.128 1.00 0.00 O ATOM 920 CB LEU A 58 -8.900 -6.474 -2.013 1.00 0.00 C ATOM 921 CG LEU A 58 -8.144 -5.702 -3.088 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.124 -5.036 -4.017 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.181 -4.684 -2.490 1.00 0.00 C ATOM 0 H LEU A 58 -6.690 -7.604 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.844 -6.299 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.454 -7.279 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.635 -5.805 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.539 -6.412 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.581 -4.485 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.750 -5.793 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.751 -4.347 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.664 -4.157 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.738 -3.968 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.451 -5.197 -1.864 1.00 0.00 H new ATOM 935 N HIS A 59 -10.045 -7.916 0.246 1.00 0.00 N ATOM 936 CA HIS A 59 -10.860 -8.919 0.921 1.00 0.00 C ATOM 937 C HIS A 59 -11.407 -9.890 -0.116 1.00 0.00 C ATOM 938 O HIS A 59 -11.705 -9.502 -1.238 1.00 0.00 O ATOM 939 CB HIS A 59 -12.001 -8.244 1.696 1.00 0.00 C ATOM 940 CG HIS A 59 -12.659 -9.123 2.721 1.00 0.00 C ATOM 941 ND1 HIS A 59 -13.972 -9.537 2.631 1.00 0.00 N ATOM 942 CD2 HIS A 59 -12.185 -9.636 3.884 1.00 0.00 C ATOM 943 CE1 HIS A 59 -14.275 -10.263 3.693 1.00 0.00 C ATOM 944 NE2 HIS A 59 -13.209 -10.339 4.465 1.00 0.00 N ATOM 0 H HIS A 59 -10.480 -6.997 0.165 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.250 -9.468 1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.611 -7.356 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.756 -7.906 0.986 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -14.609 -9.317 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.187 -9.514 4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.234 -10.717 3.894 1.00 0.00 H new ATOM 953 N GLU A 60 -11.502 -11.154 0.277 1.00 0.00 N ATOM 954 CA GLU A 60 -11.900 -12.247 -0.620 1.00 0.00 C ATOM 955 C GLU A 60 -13.234 -11.983 -1.313 1.00 0.00 C ATOM 956 O GLU A 60 -13.500 -12.528 -2.383 1.00 0.00 O ATOM 957 CB GLU A 60 -11.989 -13.556 0.158 1.00 0.00 C ATOM 958 CG GLU A 60 -10.676 -13.987 0.784 1.00 0.00 C ATOM 959 CD GLU A 60 -10.808 -15.280 1.555 1.00 0.00 C ATOM 960 OE1 GLU A 60 -10.921 -16.346 0.917 1.00 0.00 O ATOM 961 OE2 GLU A 60 -10.813 -15.234 2.803 1.00 0.00 O ATOM 0 H GLU A 60 -11.305 -11.458 1.231 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.134 -12.315 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.738 -13.451 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.337 -14.343 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.925 -14.107 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.319 -13.203 1.452 1.00 0.00 H new ATOM 968 N SER A 61 -14.073 -11.169 -0.686 1.00 0.00 N ATOM 969 CA SER A 61 -15.347 -10.775 -1.267 1.00 0.00 C ATOM 970 C SER A 61 -15.134 -9.971 -2.548 1.00 0.00 C ATOM 971 O SER A 61 -16.002 -9.920 -3.421 1.00 0.00 O ATOM 972 CB SER A 61 -16.136 -9.959 -0.247 1.00 0.00 C ATOM 973 OG SER A 61 -15.328 -8.933 0.319 1.00 0.00 O ATOM 0 H SER A 61 -13.890 -10.766 0.233 1.00 0.00 H new ATOM 0 HA SER A 61 -15.912 -11.670 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.009 -9.516 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.504 -10.614 0.542 1.00 0.00 H new ATOM 0 HG SER A 61 -14.879 -8.438 -0.397 1.00 0.00 H new ATOM 979 N PHE A 62 -13.965 -9.355 -2.651 1.00 0.00 N ATOM 980 CA PHE A 62 -13.592 -8.592 -3.826 1.00 0.00 C ATOM 981 C PHE A 62 -13.027 -9.542 -4.874 1.00 0.00 C ATOM 982 O PHE A 62 -12.051 -10.244 -4.612 1.00 0.00 O ATOM 983 CB PHE A 62 -12.542 -7.532 -3.463 1.00 0.00 C ATOM 984 CG PHE A 62 -13.010 -6.502 -2.468 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.242 -6.842 -1.148 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.205 -5.189 -2.856 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.664 -5.895 -0.235 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.628 -4.236 -1.950 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.858 -4.589 -0.637 1.00 0.00 C ATOM 0 H PHE A 62 -13.252 -9.372 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.472 -8.085 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.662 -8.034 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.229 -7.022 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.091 -7.862 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -13.024 -4.905 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.842 -6.176 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.778 -3.215 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.189 -3.846 0.074 1.00 0.00 H new ATOM 999 N PRO A 63 -13.651 -9.601 -6.060 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.199 -10.478 -7.141 1.00 0.00 C ATOM 1001 C PRO A 63 -11.762 -10.188 -7.535 1.00 0.00 C ATOM 1002 O PRO A 63 -11.417 -9.038 -7.834 1.00 0.00 O ATOM 1003 CB PRO A 63 -14.142 -10.156 -8.300 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.342 -9.551 -7.661 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.840 -8.822 -6.445 1.00 0.00 C ATOM 0 HA PRO A 63 -13.221 -11.528 -6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.680 -9.465 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.403 -11.055 -8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.846 -8.868 -8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.066 -10.318 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.588 -7.786 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.585 -8.803 -5.650 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.940 -11.236 -7.531 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.521 -11.121 -7.847 1.00 0.00 C ATOM 1015 C ARG A 64 -8.879 -10.049 -6.969 1.00 0.00 C ATOM 1016 O ARG A 64 -8.477 -9.000 -7.458 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.343 -10.776 -9.327 1.00 0.00 C ATOM 1018 CG ARG A 64 -10.230 -11.600 -10.246 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.985 -11.273 -11.704 1.00 0.00 C ATOM 1020 NE ARG A 64 -8.589 -11.467 -12.087 1.00 0.00 N ATOM 1021 CZ ARG A 64 -8.021 -10.900 -13.147 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -8.706 -10.039 -13.890 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -6.759 -11.177 -13.451 1.00 0.00 N ATOM 0 H ARG A 64 -11.240 -12.185 -7.309 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.031 -12.074 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.561 -9.718 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.300 -10.929 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.045 -12.661 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.276 -11.416 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.621 -11.901 -12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.272 -10.239 -11.896 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.014 -12.076 -11.505 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.670 -9.811 -13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.268 -9.605 -14.703 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.225 -11.825 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.323 -10.742 -14.264 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.773 -10.297 -5.656 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.394 -9.262 -4.695 1.00 0.00 C ATOM 1039 C PRO A 65 -6.936 -8.831 -4.810 1.00 0.00 C ATOM 1040 O PRO A 65 -6.570 -7.740 -4.386 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.656 -9.913 -3.338 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.577 -11.378 -3.583 1.00 0.00 C ATOM 1043 CD PRO A 65 -9.009 -11.599 -5.006 1.00 0.00 C ATOM 0 HA PRO A 65 -8.960 -8.346 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.917 -9.597 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.635 -9.632 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.562 -11.743 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.222 -11.922 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.431 -12.392 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.058 -11.890 -5.064 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.109 -9.684 -5.382 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.706 -9.380 -5.547 1.00 0.00 C ATOM 1053 C LYS A 66 -4.475 -8.545 -6.796 1.00 0.00 C ATOM 1054 O LYS A 66 -4.528 -9.047 -7.919 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.867 -10.655 -5.602 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.381 -10.387 -5.809 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.554 -11.646 -5.618 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.208 -11.556 -6.318 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.611 -12.779 -6.114 1.00 0.00 N ATOM 0 H LYS A 66 -6.389 -10.597 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.391 -8.801 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.003 -11.212 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.232 -11.288 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.218 -9.993 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.048 -9.622 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.398 -11.819 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.106 -12.504 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.365 -11.399 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.337 -10.689 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.520 -12.675 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.783 -12.916 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.104 -13.604 -6.493 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.238 -7.265 -6.589 1.00 0.00 N ATOM 1074 CA ARG A 67 -3.958 -6.355 -7.684 1.00 0.00 C ATOM 1075 C ARG A 67 -2.479 -5.999 -7.682 1.00 0.00 C ATOM 1076 O ARG A 67 -1.950 -5.553 -6.663 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.806 -5.086 -7.544 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.260 -5.356 -7.177 1.00 0.00 C ATOM 1079 CD ARG A 67 -6.933 -6.287 -8.173 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.362 -6.436 -7.908 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.298 -5.552 -8.256 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -8.971 -4.434 -8.894 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.569 -5.801 -7.972 1.00 0.00 N ATOM 0 H ARG A 67 -4.234 -6.829 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.210 -6.839 -8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.362 -4.445 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.774 -4.534 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.307 -5.795 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.805 -4.413 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.790 -5.901 -9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.454 -7.265 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.666 -7.279 -7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.995 -4.244 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.696 -3.765 -9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.825 -6.663 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.291 -5.130 -8.235 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.803 -6.220 -8.801 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.375 -5.946 -8.876 1.00 0.00 C ATOM 1099 C VAL A 68 -0.106 -4.691 -9.706 1.00 0.00 C ATOM 1100 O VAL A 68 -0.803 -4.414 -10.687 1.00 0.00 O ATOM 1101 CB VAL A 68 0.428 -7.154 -9.448 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.269 -8.473 -9.136 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.687 -7.018 -10.945 1.00 0.00 C ATOM 0 H VAL A 68 -2.215 -6.584 -9.660 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.031 -5.777 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 68 1.399 -7.152 -8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.313 -9.298 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.356 -8.592 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.264 -8.473 -9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.249 -7.883 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.264 -6.963 -11.475 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.261 -6.111 -11.134 1.00 0.00 H new ATOM 1113 N CYS A 69 0.880 -3.917 -9.288 1.00 0.00 N ATOM 1114 CA CYS A 69 1.344 -2.787 -10.083 1.00 0.00 C ATOM 1115 C CYS A 69 2.842 -2.863 -10.271 1.00 0.00 C ATOM 1116 O CYS A 69 3.596 -3.037 -9.315 1.00 0.00 O ATOM 1117 CB CYS A 69 0.958 -1.428 -9.482 1.00 0.00 C ATOM 1118 SG CYS A 69 1.886 -0.027 -10.137 1.00 0.00 S ATOM 0 H CYS A 69 1.375 -4.047 -8.406 1.00 0.00 H new ATOM 0 HA CYS A 69 0.843 -2.858 -11.049 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.104 -1.257 -9.656 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.101 -1.469 -8.402 1.00 0.00 H new ATOM 0 HG CYS A 69 2.889 0.234 -9.352 1.00 0.00 H new ATOM 1124 N LYS A 70 3.257 -2.782 -11.515 1.00 0.00 N ATOM 1125 CA LYS A 70 4.661 -2.739 -11.861 1.00 0.00 C ATOM 1126 C LYS A 70 5.007 -1.328 -12.323 1.00 0.00 C ATOM 1127 O LYS A 70 6.106 -1.067 -12.820 1.00 0.00 O ATOM 1128 CB LYS A 70 4.951 -3.761 -12.970 1.00 0.00 C ATOM 1129 CG LYS A 70 4.395 -5.154 -12.680 1.00 0.00 C ATOM 1130 CD LYS A 70 4.318 -6.000 -13.937 1.00 0.00 C ATOM 1131 CE LYS A 70 3.863 -7.414 -13.620 1.00 0.00 C ATOM 1132 NZ LYS A 70 4.919 -8.196 -12.923 1.00 0.00 N ATOM 0 H LYS A 70 2.629 -2.744 -12.318 1.00 0.00 H new ATOM 0 HA LYS A 70 5.272 -2.993 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.528 -3.398 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.029 -3.832 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.026 -5.652 -11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.402 -5.065 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.626 -5.543 -14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.295 -6.029 -14.419 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.969 -7.376 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.586 -7.922 -14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.637 -9.196 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.814 -8.113 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.045 -7.826 -11.959 1.00 0.00 H new ATOM 1146 N ASP A 71 4.055 -0.417 -12.151 1.00 0.00 N ATOM 1147 CA ASP A 71 4.203 0.948 -12.642 1.00 0.00 C ATOM 1148 C ASP A 71 4.512 1.915 -11.499 1.00 0.00 C ATOM 1149 O ASP A 71 4.569 1.502 -10.349 1.00 0.00 O ATOM 1150 CB ASP A 71 2.922 1.387 -13.368 1.00 0.00 C ATOM 1151 CG ASP A 71 2.832 0.862 -14.787 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.425 -0.303 -14.976 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.162 1.620 -15.727 1.00 0.00 O ATOM 0 H ASP A 71 3.172 -0.600 -11.675 1.00 0.00 H new ATOM 0 HA ASP A 71 5.040 0.968 -13.340 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.056 1.042 -12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.877 2.476 -13.386 1.00 0.00 H new ATOM 1158 N PRO A 72 4.802 3.195 -11.817 1.00 0.00 N ATOM 1159 CA PRO A 72 4.762 4.318 -10.845 1.00 0.00 C ATOM 1160 C PRO A 72 3.499 4.303 -9.930 1.00 0.00 C ATOM 1161 O PRO A 72 2.754 3.326 -9.953 1.00 0.00 O ATOM 1162 CB PRO A 72 4.786 5.519 -11.791 1.00 0.00 C ATOM 1163 CG PRO A 72 5.665 5.078 -12.901 1.00 0.00 C ATOM 1164 CD PRO A 72 5.308 3.640 -13.134 1.00 0.00 C ATOM 0 HA PRO A 72 5.574 4.297 -10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.786 5.768 -12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.179 6.408 -11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.498 5.676 -13.797 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.717 5.185 -12.637 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.552 3.535 -13.912 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.173 3.057 -13.450 1.00 0.00 H new ATOM 1172 N PRO A 73 3.202 5.407 -9.156 1.00 0.00 N ATOM 1173 CA PRO A 73 2.229 5.421 -8.052 1.00 0.00 C ATOM 1174 C PRO A 73 1.211 4.282 -8.061 1.00 0.00 C ATOM 1175 O PRO A 73 0.299 4.227 -8.890 1.00 0.00 O ATOM 1176 CB PRO A 73 1.555 6.764 -8.286 1.00 0.00 C ATOM 1177 CG PRO A 73 2.665 7.658 -8.759 1.00 0.00 C ATOM 1178 CD PRO A 73 3.767 6.761 -9.287 1.00 0.00 C ATOM 0 HA PRO A 73 2.707 5.285 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.762 6.687 -9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.099 7.145 -7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.311 8.332 -9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.033 8.280 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.013 6.995 -10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.685 6.870 -8.709 1.00 0.00 H new ATOM 1186 N TYR A 74 1.379 3.402 -7.084 1.00 0.00 N ATOM 1187 CA TYR A 74 0.671 2.134 -7.012 1.00 0.00 C ATOM 1188 C TYR A 74 -0.653 2.319 -6.284 1.00 0.00 C ATOM 1189 O TYR A 74 -0.702 2.960 -5.231 1.00 0.00 O ATOM 1190 CB TYR A 74 1.544 1.126 -6.256 1.00 0.00 C ATOM 1191 CG TYR A 74 2.991 1.089 -6.708 1.00 0.00 C ATOM 1192 CD1 TYR A 74 3.879 2.081 -6.329 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.469 0.065 -7.506 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.191 2.053 -6.730 1.00 0.00 C ATOM 1195 CE2 TYR A 74 4.790 0.028 -7.911 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.645 1.026 -7.518 1.00 0.00 C ATOM 1197 OH TYR A 74 6.963 1.000 -7.913 1.00 0.00 O ATOM 0 H TYR A 74 2.022 3.553 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 74 0.467 1.767 -8.018 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.514 1.363 -5.193 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.114 0.131 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.533 2.892 -5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.797 -0.721 -7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.866 2.839 -6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.146 -0.781 -8.532 1.00 0.00 H new ATOM 0 HH TYR A 74 7.041 1.372 -8.816 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.719 1.766 -6.838 1.00 0.00 N ATOM 1208 CA LYS A 75 -3.045 1.947 -6.273 1.00 0.00 C ATOM 1209 C LYS A 75 -3.957 0.782 -6.602 1.00 0.00 C ATOM 1210 O LYS A 75 -3.675 -0.037 -7.479 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.677 3.232 -6.820 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.975 3.169 -8.313 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.494 4.481 -8.870 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.467 5.591 -8.798 1.00 0.00 C ATOM 1215 NZ LYS A 75 -2.212 5.241 -9.519 1.00 0.00 N ATOM 0 H LYS A 75 -1.692 1.188 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.931 2.009 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.602 3.432 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.007 4.070 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.068 2.887 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.710 2.386 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.796 4.337 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.385 4.779 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.888 6.502 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.237 5.805 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.851 6.080 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.500 4.910 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.407 4.488 -10.209 1.00 0.00 H new ATOM 1229 N VAL A 76 -5.040 0.730 -5.863 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.162 -0.154 -6.159 1.00 0.00 C ATOM 1231 C VAL A 76 -7.460 0.623 -6.025 1.00 0.00 C ATOM 1232 O VAL A 76 -7.682 1.293 -5.017 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.211 -1.387 -5.237 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.583 -2.035 -5.293 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.150 -2.392 -5.633 1.00 0.00 C ATOM 0 H VAL A 76 -5.176 1.302 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.028 -0.517 -7.178 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.016 -1.057 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.602 -2.905 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.337 -1.319 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.796 -2.348 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.201 -3.255 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.319 -2.713 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.165 -1.932 -5.554 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.298 0.552 -7.044 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.576 1.236 -7.026 1.00 0.00 C ATOM 1247 C GLU A 77 -10.698 0.216 -7.034 1.00 0.00 C ATOM 1248 O GLU A 77 -10.866 -0.527 -8.001 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.710 2.177 -8.226 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.470 3.008 -8.493 1.00 0.00 C ATOM 1251 CD GLU A 77 -7.616 2.432 -9.602 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -6.779 1.550 -9.324 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -7.783 2.856 -10.765 1.00 0.00 O ATOM 0 H GLU A 77 -8.114 0.025 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.637 1.836 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.940 1.588 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.555 2.845 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.766 4.023 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.878 3.076 -7.580 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.457 0.174 -5.953 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.505 -0.821 -5.809 1.00 0.00 C ATOM 1262 C GLU A 78 -13.740 -0.236 -5.150 1.00 0.00 C ATOM 1263 O GLU A 78 -13.764 0.938 -4.773 1.00 0.00 O ATOM 1264 CB GLU A 78 -12.011 -2.020 -4.991 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.733 -3.260 -5.826 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.841 -3.548 -6.818 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -14.026 -3.376 -6.461 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -12.535 -3.954 -7.960 1.00 0.00 O ATOM 0 H GLU A 78 -11.368 0.815 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.770 -1.154 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.100 -1.737 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.756 -2.263 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.793 -3.130 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.607 -4.118 -5.166 1.00 0.00 H new ATOM 1275 N SER A 79 -14.758 -1.068 -5.023 1.00 0.00 N ATOM 1276 CA SER A 79 -16.012 -0.661 -4.424 1.00 0.00 C ATOM 1277 C SER A 79 -16.549 -1.778 -3.531 1.00 0.00 C ATOM 1278 O SER A 79 -16.326 -2.964 -3.790 1.00 0.00 O ATOM 1279 CB SER A 79 -17.019 -0.297 -5.522 1.00 0.00 C ATOM 1280 OG SER A 79 -18.206 0.264 -4.980 1.00 0.00 O ATOM 0 H SER A 79 -14.737 -2.040 -5.331 1.00 0.00 H new ATOM 0 HA SER A 79 -15.850 0.221 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.564 0.412 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.268 -1.188 -6.098 1.00 0.00 H new ATOM 0 HG SER A 79 -18.825 0.486 -5.707 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.249 -1.384 -2.481 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.742 -2.318 -1.492 1.00 0.00 C ATOM 1288 C GLY A 80 -18.677 -1.621 -0.529 1.00 0.00 C ATOM 1289 O GLY A 80 -19.327 -0.654 -0.907 1.00 0.00 O ATOM 0 H GLY A 80 -17.489 -0.411 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.263 -3.139 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.906 -2.754 -0.946 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.762 -2.085 0.709 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.626 -1.419 1.682 1.00 0.00 C ATOM 1295 C TYR A 81 -19.068 -1.484 3.100 1.00 0.00 C ATOM 1296 O TYR A 81 -19.771 -1.157 4.056 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.049 -2.001 1.646 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.111 -3.501 1.838 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.144 -4.060 3.109 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.139 -4.361 0.745 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.200 -5.426 3.287 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.196 -5.732 0.916 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.225 -6.257 2.190 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.282 -7.620 2.371 1.00 0.00 O ATOM 0 H TYR A 81 -18.259 -2.899 1.061 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.664 -0.369 1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.645 -1.522 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.508 -1.749 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.125 -3.413 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.116 -3.951 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.224 -5.842 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.218 -6.387 0.057 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.294 -8.066 1.498 1.00 0.00 H new ATOM 1314 N ALA A 82 -17.812 -1.885 3.246 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.209 -1.973 4.568 1.00 0.00 C ATOM 1316 C ALA A 82 -15.694 -1.895 4.494 1.00 0.00 C ATOM 1317 O ALA A 82 -15.101 -2.077 3.430 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.628 -3.263 5.258 1.00 0.00 C ATOM 0 H ALA A 82 -17.198 -2.151 2.476 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.565 -1.123 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.169 -3.313 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.713 -3.285 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.303 -4.116 4.663 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.079 -1.623 5.641 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.638 -1.544 5.720 1.00 0.00 C ATOM 1326 C GLY A 83 -13.026 -2.826 6.247 1.00 0.00 C ATOM 1327 O GLY A 83 -13.744 -3.772 6.582 1.00 0.00 O ATOM 0 H GLY A 83 -15.562 -1.455 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.232 -1.328 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.356 -0.714 6.368 1.00 0.00 H new ATOM 1331 N PHE A 84 -11.702 -2.845 6.335 1.00 0.00 N ATOM 1332 CA PHE A 84 -10.951 -4.037 6.727 1.00 0.00 C ATOM 1333 C PHE A 84 -9.453 -3.758 6.642 1.00 0.00 C ATOM 1334 O PHE A 84 -9.028 -2.849 5.929 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.311 -5.238 5.825 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.090 -5.012 4.346 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -11.969 -4.231 3.609 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.011 -5.589 3.693 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.777 -4.026 2.259 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.812 -5.388 2.342 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.694 -4.604 1.621 1.00 0.00 C ATOM 0 H PHE A 84 -11.115 -2.035 6.137 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.217 -4.286 7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.721 -6.099 6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.358 -5.494 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.817 -3.777 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.318 -6.203 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.471 -3.415 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.967 -5.843 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.538 -4.444 0.564 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.662 -4.512 7.395 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.216 -4.458 7.256 1.00 0.00 C ATOM 1353 C ILE A 85 -6.814 -5.021 5.903 1.00 0.00 C ATOM 1354 O ILE A 85 -7.128 -6.170 5.582 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.490 -5.250 8.368 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.562 -4.509 9.701 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.039 -5.508 7.990 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -5.850 -3.174 9.697 1.00 0.00 C ATOM 0 H ILE A 85 -8.997 -5.164 8.104 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.920 -3.413 7.342 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.996 -6.209 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.608 -4.351 9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.130 -5.138 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.549 -6.066 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.001 -6.085 7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.526 -4.557 7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.945 -2.708 10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.795 -3.325 9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.296 -2.526 8.943 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.140 -4.212 5.112 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.713 -4.633 3.797 1.00 0.00 C ATOM 1372 C LEU A 86 -4.205 -4.833 3.782 1.00 0.00 C ATOM 1373 O LEU A 86 -3.439 -3.875 3.882 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.149 -3.610 2.745 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.388 -4.193 1.352 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.472 -3.421 0.624 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.123 -4.165 0.535 1.00 0.00 C ATOM 0 H LEU A 86 -5.877 -3.258 5.359 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.185 -5.584 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.065 -3.127 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.387 -2.834 2.674 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.708 -5.227 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.625 -3.853 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.401 -3.475 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.170 -2.379 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.318 -4.585 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.780 -3.136 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.354 -4.754 1.035 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.766 -6.097 3.700 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.350 -6.443 3.650 1.00 0.00 C ATOM 1391 C PRO A 87 -1.730 -6.052 2.312 1.00 0.00 C ATOM 1392 O PRO A 87 -1.922 -6.734 1.299 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.326 -7.968 3.830 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.716 -8.348 4.225 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.613 -7.292 3.654 1.00 0.00 C ATOM 0 HA PRO A 87 -1.774 -5.918 4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.031 -8.467 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.607 -8.261 4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.976 -9.333 3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.813 -8.398 5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.924 -7.530 2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.521 -7.169 4.244 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.014 -4.940 2.310 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.410 -4.425 1.098 1.00 0.00 C ATOM 1405 C ILE A 88 1.062 -4.804 1.029 1.00 0.00 C ATOM 1406 O ILE A 88 1.744 -4.855 2.052 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.549 -2.890 1.019 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -1.998 -2.482 1.306 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.127 -2.414 -0.359 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.159 -1.049 1.761 1.00 0.00 C ATOM 0 H ILE A 88 -0.838 -4.375 3.141 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.936 -4.870 0.253 1.00 0.00 H new ATOM 0 HB ILE A 88 0.096 -2.427 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.592 -2.634 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.405 -3.143 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.225 -1.330 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.911 -2.694 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.763 -2.876 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.213 -0.841 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.595 -0.894 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.785 -0.378 0.988 1.00 0.00 H new ATOM 1422 N GLU A 89 1.548 -5.073 -0.173 1.00 0.00 N ATOM 1423 CA GLU A 89 2.942 -5.434 -0.369 1.00 0.00 C ATOM 1424 C GLU A 89 3.626 -4.495 -1.341 1.00 0.00 C ATOM 1425 O GLU A 89 3.119 -4.227 -2.435 1.00 0.00 O ATOM 1426 CB GLU A 89 3.082 -6.854 -0.897 1.00 0.00 C ATOM 1427 CG GLU A 89 2.698 -7.931 0.095 1.00 0.00 C ATOM 1428 CD GLU A 89 2.980 -9.315 -0.444 1.00 0.00 C ATOM 1429 OE1 GLU A 89 4.140 -9.769 -0.347 1.00 0.00 O ATOM 1430 OE2 GLU A 89 2.049 -9.957 -0.971 1.00 0.00 O ATOM 0 H GLU A 89 0.995 -5.048 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 89 3.418 -5.360 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.463 -6.960 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.115 -7.013 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.249 -7.783 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.638 -7.843 0.335 1.00 0.00 H new ATOM 1437 N VAL A 90 4.785 -4.015 -0.943 1.00 0.00 N ATOM 1438 CA VAL A 90 5.621 -3.215 -1.815 1.00 0.00 C ATOM 1439 C VAL A 90 6.917 -3.977 -2.065 1.00 0.00 C ATOM 1440 O VAL A 90 7.741 -4.130 -1.165 1.00 0.00 O ATOM 1441 CB VAL A 90 5.911 -1.817 -1.214 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.490 -0.877 -2.262 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.642 -1.230 -0.626 1.00 0.00 C ATOM 0 H VAL A 90 5.173 -4.167 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 90 5.097 -3.045 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 90 6.651 -1.934 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.683 0.096 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.423 -1.290 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.779 -0.763 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.856 -0.247 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.889 -1.134 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.267 -1.886 0.159 1.00 0.00 H new ATOM 1453 N TYR A 91 7.060 -4.504 -3.275 1.00 0.00 N ATOM 1454 CA TYR A 91 8.212 -5.345 -3.615 1.00 0.00 C ATOM 1455 C TYR A 91 9.484 -4.527 -3.722 1.00 0.00 C ATOM 1456 O TYR A 91 9.511 -3.468 -4.338 1.00 0.00 O ATOM 1457 CB TYR A 91 7.992 -6.074 -4.935 1.00 0.00 C ATOM 1458 CG TYR A 91 7.449 -7.471 -4.799 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.278 -7.714 -4.109 1.00 0.00 C ATOM 1460 CD2 TYR A 91 8.111 -8.548 -5.373 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.777 -8.986 -3.986 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.612 -9.828 -5.261 1.00 0.00 C ATOM 1463 CZ TYR A 91 6.446 -10.044 -4.566 1.00 0.00 C ATOM 1464 OH TYR A 91 5.951 -11.321 -4.446 1.00 0.00 O ATOM 0 H TYR A 91 6.397 -4.367 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 91 8.316 -6.071 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.305 -5.490 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.939 -6.118 -5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.747 -6.889 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.030 -8.380 -5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.863 -9.158 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.134 -10.656 -5.717 1.00 0.00 H new ATOM 0 HH TYR A 91 6.543 -11.947 -4.914 1.00 0.00 H new ATOM 1474 N PHE A 92 10.540 -5.068 -3.165 1.00 0.00 N ATOM 1475 CA PHE A 92 11.825 -4.399 -3.108 1.00 0.00 C ATOM 1476 C PHE A 92 12.811 -5.048 -4.075 1.00 0.00 C ATOM 1477 O PHE A 92 12.632 -6.203 -4.470 1.00 0.00 O ATOM 1478 CB PHE A 92 12.371 -4.487 -1.686 1.00 0.00 C ATOM 1479 CG PHE A 92 11.602 -3.675 -0.686 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.070 -2.451 -1.041 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.450 -4.116 0.619 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.405 -1.677 -0.122 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.771 -3.345 1.543 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.255 -2.124 1.169 1.00 0.00 C ATOM 0 H PHE A 92 10.536 -5.992 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 92 11.695 -3.355 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.368 -5.530 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.410 -4.157 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.178 -2.098 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.865 -5.068 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.001 -0.719 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.645 -3.699 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.731 -1.516 1.892 1.00 0.00 H new ATOM 1494 N LYS A 93 13.847 -4.311 -4.458 1.00 0.00 N ATOM 1495 CA LYS A 93 14.897 -4.859 -5.311 1.00 0.00 C ATOM 1496 C LYS A 93 16.111 -5.219 -4.458 1.00 0.00 C ATOM 1497 O LYS A 93 16.994 -4.382 -4.231 1.00 0.00 O ATOM 1498 CB LYS A 93 15.315 -3.840 -6.381 1.00 0.00 C ATOM 1499 CG LYS A 93 14.172 -3.333 -7.247 1.00 0.00 C ATOM 1500 CD LYS A 93 14.642 -2.203 -8.164 1.00 0.00 C ATOM 1501 CE LYS A 93 13.546 -1.727 -9.118 1.00 0.00 C ATOM 1502 NZ LYS A 93 14.104 -0.996 -10.285 1.00 0.00 N ATOM 0 H LYS A 93 13.983 -3.335 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 93 14.511 -5.750 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.788 -2.989 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.068 -4.295 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.774 -4.152 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.360 -2.978 -6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.980 -1.363 -7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.500 -2.543 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.972 -2.585 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.854 -1.078 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.848 0.010 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.140 -1.090 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.715 -1.395 -11.163 1.00 0.00 H new ATOM 1516 N ASN A 94 16.168 -6.461 -3.995 1.00 0.00 N ATOM 1517 CA ASN A 94 17.236 -6.887 -3.096 1.00 0.00 C ATOM 1518 C ASN A 94 17.841 -8.194 -3.578 1.00 0.00 C ATOM 1519 O ASN A 94 17.197 -8.962 -4.289 1.00 0.00 O ATOM 1520 CB ASN A 94 16.722 -7.117 -1.659 1.00 0.00 C ATOM 1521 CG ASN A 94 16.036 -5.923 -1.017 1.00 0.00 C ATOM 1522 OD1 ASN A 94 15.432 -5.092 -1.683 1.00 0.00 O ATOM 1523 ND2 ASN A 94 16.097 -5.855 0.303 1.00 0.00 N ATOM 0 H ASN A 94 15.491 -7.189 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 94 17.978 -6.088 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.024 -7.954 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.564 -7.412 -1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.632 -5.093 0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.609 -6.565 0.827 1.00 0.00 H new ATOM 1530 N LYS A 95 19.089 -8.425 -3.213 1.00 0.00 N ATOM 1531 CA LYS A 95 19.683 -9.751 -3.319 1.00 0.00 C ATOM 1532 C LYS A 95 19.939 -10.278 -1.917 1.00 0.00 C ATOM 1533 O LYS A 95 20.451 -11.377 -1.719 1.00 0.00 O ATOM 1534 CB LYS A 95 20.980 -9.718 -4.122 1.00 0.00 C ATOM 1535 CG LYS A 95 20.793 -9.321 -5.577 1.00 0.00 C ATOM 1536 CD LYS A 95 22.057 -9.525 -6.407 1.00 0.00 C ATOM 1537 CE LYS A 95 23.211 -8.650 -5.936 1.00 0.00 C ATOM 1538 NZ LYS A 95 24.001 -9.282 -4.844 1.00 0.00 N ATOM 0 H LYS A 95 19.715 -7.711 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 95 18.995 -10.410 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.670 -9.018 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.446 -10.702 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.981 -9.906 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.494 -8.274 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.355 -10.572 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.841 -9.304 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 95 23.869 -8.438 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 95 22.819 -7.694 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.985 -8.669 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.587 -10.206 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 24.984 -9.413 -5.158 1.00 0.00 H new ATOM 1552 N GLU A 96 19.571 -9.447 -0.954 1.00 0.00 N ATOM 1553 CA GLU A 96 19.701 -9.755 0.458 1.00 0.00 C ATOM 1554 C GLU A 96 18.314 -9.904 1.090 1.00 0.00 C ATOM 1555 O GLU A 96 17.380 -10.355 0.420 1.00 0.00 O ATOM 1556 CB GLU A 96 20.549 -8.685 1.180 1.00 0.00 C ATOM 1557 CG GLU A 96 20.113 -7.254 0.927 1.00 0.00 C ATOM 1558 CD GLU A 96 20.826 -6.275 1.840 1.00 0.00 C ATOM 1559 OE1 GLU A 96 21.960 -5.872 1.514 1.00 0.00 O ATOM 1560 OE2 GLU A 96 20.270 -5.932 2.900 1.00 0.00 O ATOM 0 H GLU A 96 19.168 -8.528 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 96 20.225 -10.704 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.515 -8.877 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.588 -8.794 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.312 -6.992 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.036 -7.171 1.076 1.00 0.00 H new ATOM 1567 N GLU A 97 18.218 -9.599 2.391 1.00 0.00 N ATOM 1568 CA GLU A 97 16.986 -9.755 3.188 1.00 0.00 C ATOM 1569 C GLU A 97 15.698 -9.294 2.467 1.00 0.00 C ATOM 1570 O GLU A 97 15.770 -8.607 1.448 1.00 0.00 O ATOM 1571 CB GLU A 97 17.142 -9.025 4.526 1.00 0.00 C ATOM 1572 CG GLU A 97 17.567 -7.578 4.421 1.00 0.00 C ATOM 1573 CD GLU A 97 17.814 -6.985 5.787 1.00 0.00 C ATOM 1574 OE1 GLU A 97 18.897 -7.240 6.357 1.00 0.00 O ATOM 1575 OE2 GLU A 97 16.923 -6.289 6.316 1.00 0.00 O ATOM 0 H GLU A 97 19.002 -9.232 2.930 1.00 0.00 H new ATOM 0 HA GLU A 97 16.860 -10.825 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.193 -9.071 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.874 -9.560 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 97 18.473 -7.504 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.795 -7.005 3.906 1.00 0.00 H new ATOM 1582 N PRO A 98 14.506 -9.620 3.044 1.00 0.00 N ATOM 1583 CA PRO A 98 13.199 -9.615 2.363 1.00 0.00 C ATOM 1584 C PRO A 98 13.031 -8.576 1.254 1.00 0.00 C ATOM 1585 O PRO A 98 13.197 -7.371 1.460 1.00 0.00 O ATOM 1586 CB PRO A 98 12.197 -9.354 3.510 1.00 0.00 C ATOM 1587 CG PRO A 98 13.029 -9.228 4.742 1.00 0.00 C ATOM 1588 CD PRO A 98 14.294 -9.973 4.448 1.00 0.00 C ATOM 0 HA PRO A 98 13.056 -10.555 1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.622 -8.446 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.482 -10.172 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.234 -8.182 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.517 -9.650 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.119 -9.651 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.182 -11.048 4.591 1.00 0.00 H new ATOM 1596 N ARG A 99 12.666 -9.085 0.079 1.00 0.00 N ATOM 1597 CA ARG A 99 12.434 -8.276 -1.111 1.00 0.00 C ATOM 1598 C ARG A 99 10.987 -7.827 -1.180 1.00 0.00 C ATOM 1599 O ARG A 99 10.446 -7.547 -2.251 1.00 0.00 O ATOM 1600 CB ARG A 99 12.800 -9.072 -2.346 1.00 0.00 C ATOM 1601 CG ARG A 99 14.290 -9.301 -2.419 1.00 0.00 C ATOM 1602 CD ARG A 99 14.688 -10.366 -3.422 1.00 0.00 C ATOM 1603 NE ARG A 99 13.994 -10.227 -4.704 1.00 0.00 N ATOM 1604 CZ ARG A 99 14.096 -11.111 -5.696 1.00 0.00 C ATOM 1605 NH1 ARG A 99 14.866 -12.181 -5.556 1.00 0.00 N ATOM 1606 NH2 ARG A 99 13.434 -10.915 -6.829 1.00 0.00 N ATOM 0 H ARG A 99 12.522 -10.083 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 99 13.061 -7.386 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.281 -10.031 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.466 -8.541 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.782 -8.364 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.655 -9.587 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.764 -10.317 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.475 -11.350 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 99 13.401 -9.410 -4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.381 -12.328 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.943 -12.857 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.847 -10.088 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.512 -11.591 -7.589 1.00 0.00 H new ATOM 1620 N LYS A 100 10.357 -7.833 -0.033 1.00 0.00 N ATOM 1621 CA LYS A 100 8.985 -7.376 0.103 1.00 0.00 C ATOM 1622 C LYS A 100 8.770 -6.754 1.467 1.00 0.00 C ATOM 1623 O LYS A 100 9.377 -7.172 2.455 1.00 0.00 O ATOM 1624 CB LYS A 100 7.996 -8.531 -0.070 1.00 0.00 C ATOM 1625 CG LYS A 100 8.233 -9.677 0.910 1.00 0.00 C ATOM 1626 CD LYS A 100 7.023 -10.600 1.052 1.00 0.00 C ATOM 1627 CE LYS A 100 6.880 -11.590 -0.100 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.360 -10.952 -1.335 1.00 0.00 N ATOM 0 H LYS A 100 10.777 -8.155 0.839 1.00 0.00 H new ATOM 0 HA LYS A 100 8.809 -6.635 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.981 -8.155 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.067 -8.912 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.091 -10.261 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.486 -9.266 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.104 -11.152 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.119 -9.995 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.849 -12.042 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.210 -12.396 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.860 -11.661 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.703 -10.187 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.152 -10.560 -1.883 1.00 0.00 H new ATOM 1642 N VAL A 101 7.921 -5.753 1.515 1.00 0.00 N ATOM 1643 CA VAL A 101 7.454 -5.222 2.771 1.00 0.00 C ATOM 1644 C VAL A 101 5.938 -5.342 2.824 1.00 0.00 C ATOM 1645 O VAL A 101 5.258 -5.131 1.817 1.00 0.00 O ATOM 1646 CB VAL A 101 7.881 -3.757 2.976 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.244 -2.846 1.936 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.554 -3.302 4.386 1.00 0.00 C ATOM 0 H VAL A 101 7.539 -5.289 0.691 1.00 0.00 H new ATOM 0 HA VAL A 101 7.907 -5.800 3.577 1.00 0.00 H new ATOM 0 HB VAL A 101 8.961 -3.694 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.565 -1.818 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.552 -3.161 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.159 -2.905 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.862 -2.264 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.480 -3.385 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.084 -3.929 5.103 1.00 0.00 H new ATOM 1658 N ARG A 102 5.416 -5.712 3.976 1.00 0.00 N ATOM 1659 CA ARG A 102 3.994 -5.916 4.116 1.00 0.00 C ATOM 1660 C ARG A 102 3.405 -4.878 5.047 1.00 0.00 C ATOM 1661 O ARG A 102 3.766 -4.804 6.224 1.00 0.00 O ATOM 1662 CB ARG A 102 3.711 -7.316 4.641 1.00 0.00 C ATOM 1663 CG ARG A 102 2.236 -7.692 4.582 1.00 0.00 C ATOM 1664 CD ARG A 102 2.018 -9.140 4.987 1.00 0.00 C ATOM 1665 NE ARG A 102 2.373 -9.366 6.389 1.00 0.00 N ATOM 1666 CZ ARG A 102 2.158 -10.505 7.045 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.653 -11.561 6.419 1.00 0.00 N ATOM 1668 NH2 ARG A 102 2.468 -10.584 8.332 1.00 0.00 N ATOM 0 H ARG A 102 5.956 -5.876 4.825 1.00 0.00 H new ATOM 0 HA ARG A 102 3.528 -5.811 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.287 -8.038 4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.057 -7.387 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.665 -7.038 5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.859 -7.534 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.974 -9.410 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.617 -9.791 4.350 1.00 0.00 H new ATOM 0 HE ARG A 102 2.815 -8.600 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.426 -11.505 5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.492 -12.429 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.867 -9.777 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.307 -11.452 8.843 1.00 0.00 H new ATOM 1682 N PHE A 103 2.511 -4.071 4.516 1.00 0.00 N ATOM 1683 CA PHE A 103 1.867 -3.038 5.293 1.00 0.00 C ATOM 1684 C PHE A 103 0.391 -3.359 5.477 1.00 0.00 C ATOM 1685 O PHE A 103 -0.399 -3.252 4.538 1.00 0.00 O ATOM 1686 CB PHE A 103 2.031 -1.681 4.608 1.00 0.00 C ATOM 1687 CG PHE A 103 3.457 -1.216 4.485 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.334 -1.311 5.555 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.907 -0.647 3.305 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.632 -0.846 5.447 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.203 -0.187 3.191 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.065 -0.284 4.262 1.00 0.00 C ATOM 0 H PHE A 103 2.213 -4.113 3.541 1.00 0.00 H new ATOM 0 HA PHE A 103 2.340 -2.994 6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.592 -1.735 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.465 -0.935 5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 103 4.000 -1.753 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.235 -0.562 2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.306 -0.922 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.542 0.249 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.078 0.079 4.175 1.00 0.00 H new ATOM 1702 N ASP A 104 0.032 -3.791 6.678 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.363 -4.039 7.015 1.00 0.00 C ATOM 1704 C ASP A 104 -2.077 -2.718 7.219 1.00 0.00 C ATOM 1705 O ASP A 104 -2.190 -2.222 8.343 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.488 -4.902 8.278 1.00 0.00 C ATOM 1707 CG ASP A 104 -1.120 -6.355 8.047 1.00 0.00 C ATOM 1708 OD1 ASP A 104 0.084 -6.685 8.090 1.00 0.00 O ATOM 1709 OD2 ASP A 104 -2.038 -7.177 7.835 1.00 0.00 O ATOM 0 H ASP A 104 0.688 -3.977 7.436 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.823 -4.584 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.846 -4.490 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.512 -4.847 8.648 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.555 -2.145 6.129 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.162 -0.832 6.181 1.00 0.00 C ATOM 1716 C TYR A 105 -4.651 -0.934 6.485 1.00 0.00 C ATOM 1717 O TYR A 105 -5.384 -1.683 5.838 1.00 0.00 O ATOM 1718 CB TYR A 105 -2.927 -0.073 4.872 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.512 1.314 4.900 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.044 2.255 5.799 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.545 1.670 4.056 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.592 3.516 5.864 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.097 2.930 4.101 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.618 3.857 5.011 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.186 5.112 5.095 1.00 0.00 O ATOM 0 H TYR A 105 -2.534 -2.568 5.201 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.689 -0.273 6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.856 -0.009 4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.366 -0.633 4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.233 1.995 6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.926 0.948 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.220 4.234 6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.900 3.194 3.429 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.033 5.121 4.602 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.079 -0.193 7.494 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.477 -0.161 7.893 1.00 0.00 C ATOM 1737 C ASP A 106 -7.305 0.634 6.889 1.00 0.00 C ATOM 1738 O ASP A 106 -7.214 1.864 6.819 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.614 0.454 9.288 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.022 0.349 9.844 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.325 -0.660 10.505 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -8.830 1.283 9.646 1.00 0.00 O ATOM 0 H ASP A 106 -4.470 0.401 8.057 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.851 -1.185 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.922 -0.043 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.322 1.503 9.247 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.089 -0.072 6.095 1.00 0.00 N ATOM 1748 CA LEU A 107 -8.982 0.566 5.149 1.00 0.00 C ATOM 1749 C LEU A 107 -10.250 1.023 5.859 1.00 0.00 C ATOM 1750 O LEU A 107 -11.144 0.222 6.127 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.340 -0.402 4.023 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.769 -0.065 2.647 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.262 -0.236 2.627 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.418 -0.939 1.597 1.00 0.00 C ATOM 0 H LEU A 107 -8.124 -1.091 6.088 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.478 1.433 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.997 -1.398 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.426 -0.450 3.943 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.987 0.980 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.881 0.010 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.811 0.428 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.010 -1.269 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.008 -0.696 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.220 -1.987 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.494 -0.765 1.593 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.319 2.305 6.181 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.489 2.841 6.858 1.00 0.00 C ATOM 1768 C PHE A 108 -12.342 3.664 5.901 1.00 0.00 C ATOM 1769 O PHE A 108 -11.835 4.488 5.143 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.095 3.673 8.095 1.00 0.00 C ATOM 1771 CG PHE A 108 -10.236 4.881 7.817 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -10.815 6.100 7.492 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -8.851 4.805 7.896 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -10.035 7.213 7.247 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -8.067 5.920 7.653 1.00 0.00 C ATOM 1776 CZ PHE A 108 -8.660 7.123 7.328 1.00 0.00 C ATOM 0 H PHE A 108 -9.587 2.988 5.987 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.084 1.996 7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.006 4.003 8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -10.566 3.025 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.890 6.179 7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.381 3.866 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -10.501 8.154 6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.991 5.848 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.049 7.993 7.137 1.00 0.00 H new ATOM 1786 N LEU A 109 -13.635 3.414 5.912 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.568 4.182 5.106 1.00 0.00 C ATOM 1788 C LEU A 109 -15.433 5.015 6.046 1.00 0.00 C ATOM 1789 O LEU A 109 -15.608 4.649 7.209 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.448 3.249 4.260 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.701 2.148 3.490 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.658 1.364 2.605 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.584 2.739 2.645 1.00 0.00 C ATOM 0 H LEU A 109 -14.068 2.681 6.473 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.020 4.831 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.180 2.776 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.005 3.854 3.544 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.263 1.470 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.108 0.590 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.428 0.901 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.126 2.039 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.071 1.940 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.004 3.444 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.875 3.257 3.290 1.00 0.00 H new ATOM 1805 N HIS A 110 -15.947 6.142 5.573 1.00 0.00 N ATOM 1806 CA HIS A 110 -16.824 6.963 6.402 1.00 0.00 C ATOM 1807 C HIS A 110 -18.287 6.725 6.043 1.00 0.00 C ATOM 1808 O HIS A 110 -18.583 6.084 5.035 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.463 8.449 6.296 1.00 0.00 C ATOM 1810 CG HIS A 110 -15.246 8.826 7.088 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -14.397 9.855 6.733 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -14.742 8.308 8.233 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -13.426 9.949 7.624 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -13.613 9.022 8.544 1.00 0.00 N ATOM 0 H HIS A 110 -15.777 6.506 4.635 1.00 0.00 H new ATOM 0 HA HIS A 110 -16.678 6.665 7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.298 8.701 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.309 9.046 6.638 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.153 7.484 8.797 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.616 10.664 7.603 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.015 8.862 9.355 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.185 7.251 6.864 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.615 6.955 6.768 1.00 0.00 C ATOM 1825 C LEU A 111 -21.227 7.318 5.415 1.00 0.00 C ATOM 1826 O LEU A 111 -20.920 8.356 4.817 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.372 7.666 7.893 1.00 0.00 C ATOM 1828 CG LEU A 111 -21.677 6.813 9.133 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -22.955 6.008 8.938 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -20.518 5.879 9.439 1.00 0.00 C ATOM 0 H LEU A 111 -18.947 7.896 7.617 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.713 5.874 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.791 8.533 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.314 8.041 7.492 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.817 7.489 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.149 5.412 9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.790 6.687 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -22.841 5.348 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -20.754 5.283 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.349 5.218 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -19.618 6.465 9.627 1.00 0.00 H new ATOM 1910 N VAL A 117 -12.830 10.823 2.849 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.679 10.023 3.233 1.00 0.00 C ATOM 1912 C VAL A 117 -10.478 10.286 2.334 1.00 0.00 C ATOM 1913 O VAL A 117 -10.514 10.014 1.132 1.00 0.00 O ATOM 1914 CB VAL A 117 -11.998 8.517 3.231 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -10.738 7.700 3.453 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.037 8.187 4.290 1.00 0.00 C ATOM 0 HA VAL A 117 -11.429 10.326 4.250 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.407 8.259 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.987 6.639 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.024 7.909 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.297 7.965 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.248 7.118 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.656 8.465 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.953 8.741 4.086 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.437 10.843 2.932 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.153 11.028 2.272 1.00 0.00 C ATOM 1928 C ASN A 118 -7.046 10.884 3.312 1.00 0.00 C ATOM 1929 O ASN A 118 -6.879 11.763 4.157 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.073 12.409 1.620 1.00 0.00 C ATOM 1931 CG ASN A 118 -6.860 12.536 0.706 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -6.969 12.320 -0.498 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.694 12.855 1.254 1.00 0.00 N ATOM 0 H ASN A 118 -9.458 11.181 3.894 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.038 10.277 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -8.981 12.593 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.026 13.174 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.859 12.926 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.633 13.029 2.257 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.305 9.784 3.285 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.290 9.553 4.309 1.00 0.00 C ATOM 1942 C HIS A 119 -4.012 8.957 3.725 1.00 0.00 C ATOM 1943 O HIS A 119 -4.067 8.134 2.814 1.00 0.00 O ATOM 1944 CB HIS A 119 -5.844 8.618 5.378 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.081 8.662 6.664 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.324 7.612 7.130 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.968 9.645 7.588 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -3.778 7.951 8.286 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.154 9.178 8.586 1.00 0.00 N ATOM 0 H HIS A 119 -6.383 9.050 2.581 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.037 10.519 4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -6.884 8.878 5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -5.837 7.597 4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.434 10.618 7.546 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.132 7.326 8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.884 9.695 9.423 1.00 0.00 H new ATOM 1958 N LEU A 120 -2.872 9.382 4.274 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.561 8.864 3.897 1.00 0.00 C ATOM 1960 C LEU A 120 -0.608 8.879 5.094 1.00 0.00 C ATOM 1961 O LEU A 120 -0.726 9.725 5.981 1.00 0.00 O ATOM 1962 CB LEU A 120 -0.984 9.690 2.745 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.493 9.314 1.354 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.336 10.474 0.393 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.722 8.118 0.831 1.00 0.00 C ATOM 0 H LEU A 120 -2.836 10.100 4.997 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.677 7.831 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.209 10.741 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.101 9.590 2.756 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.551 9.064 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.705 10.184 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.907 11.328 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.283 10.746 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.089 7.854 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.338 8.366 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.860 7.273 1.506 1.00 0.00 H new ATOM 1977 N ARG A 121 0.323 7.927 5.117 1.00 0.00 N ATOM 1978 CA ARG A 121 1.312 7.831 6.197 1.00 0.00 C ATOM 1979 C ARG A 121 2.618 7.235 5.672 1.00 0.00 C ATOM 1980 O ARG A 121 2.606 6.237 4.948 1.00 0.00 O ATOM 1981 CB ARG A 121 0.764 7.000 7.395 1.00 0.00 C ATOM 1982 CG ARG A 121 1.539 5.713 7.718 1.00 0.00 C ATOM 1983 CD ARG A 121 1.010 4.485 6.978 1.00 0.00 C ATOM 1984 NE ARG A 121 -0.335 4.134 7.423 1.00 0.00 N ATOM 1985 CZ ARG A 121 -0.617 3.009 8.088 1.00 0.00 C ATOM 1986 NH1 ARG A 121 0.335 2.112 8.326 1.00 0.00 N ATOM 1987 NH2 ARG A 121 -1.847 2.786 8.526 1.00 0.00 N ATOM 0 H ARG A 121 0.416 7.208 4.400 1.00 0.00 H new ATOM 0 HA ARG A 121 1.513 8.838 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.760 7.633 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.273 6.736 7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.589 5.857 7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.493 5.529 8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.001 4.680 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.681 3.642 7.143 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.098 4.779 7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.287 2.280 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.113 1.256 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.581 3.473 8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.060 1.927 9.033 1.00 0.00 H new ATOM 2001 N CYS A 122 3.735 7.862 6.015 1.00 0.00 N ATOM 2002 CA CYS A 122 5.043 7.361 5.619 1.00 0.00 C ATOM 2003 C CYS A 122 5.579 6.337 6.623 1.00 0.00 C ATOM 2004 O CYS A 122 5.579 6.570 7.834 1.00 0.00 O ATOM 2005 CB CYS A 122 6.024 8.521 5.467 1.00 0.00 C ATOM 2006 SG CYS A 122 6.135 9.593 6.919 1.00 0.00 S ATOM 0 H CYS A 122 3.761 8.719 6.567 1.00 0.00 H new ATOM 0 HA CYS A 122 4.934 6.857 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 122 7.014 8.119 5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 122 5.728 9.122 4.607 1.00 0.00 H new ATOM 0 HG CYS A 122 5.898 8.897 7.991 1.00 0.00 H new ATOM 2012 N GLU A 123 6.017 5.202 6.105 1.00 0.00 N ATOM 2013 CA GLU A 123 6.622 4.149 6.905 1.00 0.00 C ATOM 2014 C GLU A 123 8.129 4.187 6.753 1.00 0.00 C ATOM 2015 O GLU A 123 8.645 4.675 5.750 1.00 0.00 O ATOM 2016 CB GLU A 123 6.092 2.786 6.467 1.00 0.00 C ATOM 2017 CG GLU A 123 4.590 2.678 6.586 1.00 0.00 C ATOM 2018 CD GLU A 123 4.119 2.390 7.994 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.822 2.762 8.956 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.026 1.809 8.149 1.00 0.00 O ATOM 0 H GLU A 123 5.963 4.983 5.110 1.00 0.00 H new ATOM 0 HA GLU A 123 6.364 4.309 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.384 2.602 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.557 2.008 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.138 3.608 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.236 1.888 5.924 1.00 0.00 H new ATOM 2027 N LYS A 124 8.820 3.647 7.731 1.00 0.00 N ATOM 2028 CA LYS A 124 10.269 3.742 7.791 1.00 0.00 C ATOM 2029 C LYS A 124 10.911 2.365 7.747 1.00 0.00 C ATOM 2030 O LYS A 124 10.696 1.538 8.636 1.00 0.00 O ATOM 2031 CB LYS A 124 10.689 4.465 9.069 1.00 0.00 C ATOM 2032 CG LYS A 124 12.194 4.607 9.228 1.00 0.00 C ATOM 2033 CD LYS A 124 12.571 4.896 10.656 1.00 0.00 C ATOM 2034 CE LYS A 124 12.294 3.685 11.515 1.00 0.00 C ATOM 2035 NZ LYS A 124 12.919 3.782 12.859 1.00 0.00 N ATOM 0 H LYS A 124 8.401 3.132 8.505 1.00 0.00 H new ATOM 0 HA LYS A 124 10.609 4.306 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.237 5.457 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.292 3.925 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.684 3.691 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.555 5.410 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.626 5.162 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.005 5.752 11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.217 3.563 11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.665 2.793 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.698 2.926 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.950 3.871 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.547 4.617 13.355 1.00 0.00 H new ATOM 2049 N LEU A 125 11.690 2.118 6.709 1.00 0.00 N ATOM 2050 CA LEU A 125 12.406 0.865 6.586 1.00 0.00 C ATOM 2051 C LEU A 125 13.904 1.095 6.758 1.00 0.00 C ATOM 2052 O LEU A 125 14.562 1.625 5.863 1.00 0.00 O ATOM 2053 CB LEU A 125 12.122 0.263 5.218 1.00 0.00 C ATOM 2054 CG LEU A 125 10.642 0.174 4.851 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.469 0.222 3.346 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.030 -1.097 5.417 1.00 0.00 C ATOM 0 H LEU A 125 11.842 2.770 5.940 1.00 0.00 H new ATOM 0 HA LEU A 125 12.072 0.178 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.634 0.858 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.552 -0.738 5.181 1.00 0.00 H new ATOM 0 HG LEU A 125 10.124 1.029 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.409 0.158 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.875 1.158 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.999 -0.615 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.975 -1.145 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.549 -1.964 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.126 -1.095 6.503 1.00 0.00 H new ATOM 2068 N THR A 126 14.428 0.723 7.915 1.00 0.00 N ATOM 2069 CA THR A 126 15.848 0.852 8.188 1.00 0.00 C ATOM 2070 C THR A 126 16.551 -0.474 7.931 1.00 0.00 C ATOM 2071 O THR A 126 16.142 -1.516 8.448 1.00 0.00 O ATOM 2072 CB THR A 126 16.101 1.276 9.644 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.056 2.157 10.085 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.434 1.988 9.767 1.00 0.00 C ATOM 0 H THR A 126 13.886 0.327 8.683 1.00 0.00 H new ATOM 0 HA THR A 126 16.244 1.621 7.524 1.00 0.00 H new ATOM 0 HB THR A 126 16.115 0.380 10.264 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.222 2.422 11.014 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.596 2.281 10.804 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.234 1.319 9.449 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.432 2.876 9.136 1.00 0.00 H new ATOM 2082 N PHE A 127 17.586 -0.440 7.110 1.00 0.00 N ATOM 2083 CA PHE A 127 18.362 -1.635 6.810 1.00 0.00 C ATOM 2084 C PHE A 127 19.790 -1.472 7.297 1.00 0.00 C ATOM 2085 O PHE A 127 20.586 -0.759 6.686 1.00 0.00 O ATOM 2086 CB PHE A 127 18.336 -1.926 5.310 1.00 0.00 C ATOM 2087 CG PHE A 127 16.946 -2.109 4.790 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.216 -1.010 4.380 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.356 -3.366 4.736 1.00 0.00 C ATOM 2090 CE1 PHE A 127 14.930 -1.150 3.924 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.062 -3.509 4.282 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.348 -2.398 3.874 1.00 0.00 C ATOM 0 H PHE A 127 17.911 0.403 6.637 1.00 0.00 H new ATOM 0 HA PHE A 127 17.914 -2.481 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.816 -1.107 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.919 -2.825 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.664 -0.028 4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.914 -4.235 5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.373 -0.282 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.607 -4.488 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.335 -2.508 3.516 1.00 0.00 H new ATOM 2102 N ASN A 128 20.100 -2.123 8.410 1.00 0.00 N ATOM 2103 CA ASN A 128 21.414 -2.007 9.019 1.00 0.00 C ATOM 2104 C ASN A 128 22.467 -2.709 8.171 1.00 0.00 C ATOM 2105 O ASN A 128 22.379 -3.911 7.908 1.00 0.00 O ATOM 2106 CB ASN A 128 21.411 -2.550 10.460 1.00 0.00 C ATOM 2107 CG ASN A 128 21.309 -4.065 10.554 1.00 0.00 C ATOM 2108 OD1 ASN A 128 22.322 -4.765 10.627 1.00 0.00 O ATOM 2109 ND2 ASN A 128 20.093 -4.581 10.559 1.00 0.00 N ATOM 0 H ASN A 128 19.457 -2.738 8.909 1.00 0.00 H new ATOM 0 HA ASN A 128 21.669 -0.948 9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 128 22.324 -2.227 10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 128 20.576 -2.106 11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.968 -5.591 10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.279 -3.969 10.497 1.00 0.00 H new ATOM 2116 N ASN A 129 23.426 -1.921 7.700 1.00 0.00 N ATOM 2117 CA ASN A 129 24.603 -2.431 7.003 1.00 0.00 C ATOM 2118 C ASN A 129 24.223 -3.328 5.822 1.00 0.00 C ATOM 2119 O ASN A 129 24.465 -4.535 5.846 1.00 0.00 O ATOM 2120 CB ASN A 129 25.486 -3.196 7.994 1.00 0.00 C ATOM 2121 CG ASN A 129 26.953 -2.877 7.827 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.432 -1.863 8.343 1.00 0.00 O ATOM 2123 ND2 ASN A 129 27.684 -3.742 7.139 1.00 0.00 N ATOM 0 H ASN A 129 23.410 -0.905 7.791 1.00 0.00 H new ATOM 0 HA ASN A 129 25.154 -1.583 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.178 -2.954 9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 129 25.333 -4.267 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 129 28.684 -3.583 7.019 1.00 0.00 H new ATOM 0 HD22 ASN A 129 27.246 -4.567 6.729 1.00 0.00 H new ATOM 2130 N PRO A 130 23.614 -2.751 4.772 1.00 0.00 N ATOM 2131 CA PRO A 130 23.221 -3.492 3.583 1.00 0.00 C ATOM 2132 C PRO A 130 24.345 -3.540 2.554 1.00 0.00 C ATOM 2133 O PRO A 130 25.376 -2.883 2.717 1.00 0.00 O ATOM 2134 CB PRO A 130 22.045 -2.673 3.059 1.00 0.00 C ATOM 2135 CG PRO A 130 22.360 -1.264 3.441 1.00 0.00 C ATOM 2136 CD PRO A 130 23.267 -1.323 4.650 1.00 0.00 C ATOM 0 HA PRO A 130 22.978 -4.534 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 130 21.941 -2.776 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.105 -3.002 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.848 -0.742 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.447 -0.714 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.156 -0.708 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.763 -0.958 5.545 1.00 0.00 H new ATOM 2144 N THR A 131 24.153 -4.317 1.502 1.00 0.00 N ATOM 2145 CA THR A 131 25.139 -4.401 0.441 1.00 0.00 C ATOM 2146 C THR A 131 25.146 -3.105 -0.380 1.00 0.00 C ATOM 2147 O THR A 131 24.158 -2.362 -0.362 1.00 0.00 O ATOM 2148 CB THR A 131 24.891 -5.623 -0.481 1.00 0.00 C ATOM 2149 OG1 THR A 131 25.896 -5.691 -1.498 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.512 -5.568 -1.134 1.00 0.00 C ATOM 0 H THR A 131 23.326 -4.897 1.361 1.00 0.00 H new ATOM 0 HA THR A 131 26.115 -4.535 0.907 1.00 0.00 H new ATOM 0 HB THR A 131 24.938 -6.515 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 131 25.729 -6.468 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.376 -6.441 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 131 22.743 -5.561 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.430 -4.663 -1.736 1.00 0.00 H new ATOM 2158 N GLU A 132 26.247 -2.824 -1.078 1.00 0.00 N ATOM 2159 CA GLU A 132 26.369 -1.589 -1.864 1.00 0.00 C ATOM 2160 C GLU A 132 25.197 -1.470 -2.834 1.00 0.00 C ATOM 2161 O GLU A 132 24.635 -0.394 -2.999 1.00 0.00 O ATOM 2162 CB GLU A 132 27.679 -1.573 -2.656 1.00 0.00 C ATOM 2163 CG GLU A 132 28.065 -0.198 -3.170 1.00 0.00 C ATOM 2164 CD GLU A 132 28.351 0.773 -2.045 1.00 0.00 C ATOM 2165 OE1 GLU A 132 29.067 0.390 -1.093 1.00 0.00 O ATOM 2166 OE2 GLU A 132 27.882 1.928 -2.118 1.00 0.00 O ATOM 0 H GLU A 132 27.066 -3.431 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 132 26.364 -0.747 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.481 -1.953 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.590 -2.255 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.946 -0.284 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.260 0.195 -3.791 1.00 0.00 H new ATOM 2173 N ASP A 133 24.821 -2.597 -3.449 1.00 0.00 N ATOM 2174 CA ASP A 133 23.704 -2.630 -4.397 1.00 0.00 C ATOM 2175 C ASP A 133 22.436 -2.068 -3.772 1.00 0.00 C ATOM 2176 O ASP A 133 21.702 -1.295 -4.394 1.00 0.00 O ATOM 2177 CB ASP A 133 23.413 -4.054 -4.871 1.00 0.00 C ATOM 2178 CG ASP A 133 24.525 -4.638 -5.713 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.530 -5.108 -5.141 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.386 -4.642 -6.954 1.00 0.00 O ATOM 0 H ASP A 133 25.275 -3.499 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 133 24.002 -2.016 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.249 -4.693 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.489 -4.057 -5.448 1.00 0.00 H new ATOM 2185 N PHE A 134 22.167 -2.471 -2.539 1.00 0.00 N ATOM 2186 CA PHE A 134 20.965 -2.033 -1.860 1.00 0.00 C ATOM 2187 C PHE A 134 21.111 -0.577 -1.454 1.00 0.00 C ATOM 2188 O PHE A 134 20.246 0.248 -1.750 1.00 0.00 O ATOM 2189 CB PHE A 134 20.667 -2.893 -0.634 1.00 0.00 C ATOM 2190 CG PHE A 134 19.224 -2.799 -0.236 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.243 -2.704 -1.212 1.00 0.00 C ATOM 2192 CD2 PHE A 134 18.841 -2.786 1.094 1.00 0.00 C ATOM 2193 CE1 PHE A 134 16.921 -2.596 -0.872 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.509 -2.682 1.437 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.550 -2.586 0.451 1.00 0.00 C ATOM 0 H PHE A 134 22.762 -3.096 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 134 20.127 -2.140 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 134 20.920 -3.932 -0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.296 -2.575 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.526 -2.715 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.590 -2.858 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.170 -2.519 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.218 -2.676 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.507 -2.503 0.719 1.00 0.00 H new ATOM 2205 N ARG A 135 22.224 -0.282 -0.790 1.00 0.00 N ATOM 2206 CA ARG A 135 22.599 1.088 -0.444 1.00 0.00 C ATOM 2207 C ARG A 135 22.438 2.024 -1.640 1.00 0.00 C ATOM 2208 O ARG A 135 21.870 3.106 -1.521 1.00 0.00 O ATOM 2209 CB ARG A 135 24.033 1.108 0.086 1.00 0.00 C ATOM 2210 CG ARG A 135 24.763 2.420 -0.173 1.00 0.00 C ATOM 2211 CD ARG A 135 25.423 2.961 1.085 1.00 0.00 C ATOM 2212 NE ARG A 135 26.311 1.999 1.723 1.00 0.00 N ATOM 2213 CZ ARG A 135 27.118 2.314 2.735 1.00 0.00 C ATOM 2214 NH1 ARG A 135 26.982 3.476 3.364 1.00 0.00 N ATOM 2215 NH2 ARG A 135 28.025 1.446 3.147 1.00 0.00 N ATOM 0 H ARG A 135 22.893 -0.985 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 135 21.930 1.449 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 135 24.017 0.917 1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.593 0.294 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.519 2.268 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.059 3.157 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 135 25.989 3.858 0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 135 24.651 3.259 1.794 1.00 0.00 H new ATOM 0 HE ARG A 135 26.315 1.039 1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 135 26.257 4.132 3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 135 27.602 3.712 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 135 28.106 0.538 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 135 28.644 1.684 3.922 1.00 0.00 H new ATOM 2229 N ARG A 136 22.891 1.558 -2.787 1.00 0.00 N ATOM 2230 CA ARG A 136 22.849 2.306 -4.031 1.00 0.00 C ATOM 2231 C ARG A 136 21.445 2.789 -4.331 1.00 0.00 C ATOM 2232 O ARG A 136 21.203 3.984 -4.514 1.00 0.00 O ATOM 2233 CB ARG A 136 23.280 1.394 -5.138 1.00 0.00 C ATOM 2234 CG ARG A 136 24.246 1.981 -6.135 1.00 0.00 C ATOM 2235 CD ARG A 136 24.685 0.910 -7.113 1.00 0.00 C ATOM 2236 NE ARG A 136 23.564 0.385 -7.894 1.00 0.00 N ATOM 2237 CZ ARG A 136 23.409 -0.902 -8.201 1.00 0.00 C ATOM 2238 NH1 ARG A 136 24.281 -1.807 -7.764 1.00 0.00 N ATOM 2239 NH2 ARG A 136 22.374 -1.284 -8.936 1.00 0.00 N ATOM 0 H ARG A 136 23.307 0.632 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 136 23.505 3.172 -3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.737 0.508 -4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 136 22.392 1.060 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 136 23.775 2.805 -6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.113 2.392 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.435 1.322 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.160 0.094 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 136 22.859 1.044 -8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 136 25.073 -1.517 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 136 24.157 -2.791 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 136 21.699 -0.593 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 136 22.252 -2.269 -9.173 1.00 0.00 H new ATOM 2253 N LYS A 137 20.527 1.838 -4.380 1.00 0.00 N ATOM 2254 CA LYS A 137 19.154 2.123 -4.755 1.00 0.00 C ATOM 2255 C LYS A 137 18.500 3.048 -3.741 1.00 0.00 C ATOM 2256 O LYS A 137 17.903 4.069 -4.096 1.00 0.00 O ATOM 2257 CB LYS A 137 18.347 0.833 -4.838 1.00 0.00 C ATOM 2258 CG LYS A 137 19.023 -0.267 -5.634 1.00 0.00 C ATOM 2259 CD LYS A 137 18.077 -1.424 -5.903 1.00 0.00 C ATOM 2260 CE LYS A 137 18.833 -2.697 -6.243 1.00 0.00 C ATOM 2261 NZ LYS A 137 19.464 -3.291 -5.038 1.00 0.00 N ATOM 0 H LYS A 137 20.710 0.858 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 137 19.169 2.610 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.155 0.471 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.378 1.051 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.383 0.137 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 137 19.895 -0.628 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.452 -1.595 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.410 -1.166 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 137 18.150 -3.419 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.599 -2.479 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 20.068 -4.089 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.042 -2.572 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.724 -3.629 -4.390 1.00 0.00 H new ATOM 2275 N LEU A 138 18.630 2.664 -2.480 1.00 0.00 N ATOM 2276 CA LEU A 138 18.040 3.400 -1.361 1.00 0.00 C ATOM 2277 C LEU A 138 18.466 4.871 -1.368 1.00 0.00 C ATOM 2278 O LEU A 138 17.663 5.761 -1.083 1.00 0.00 O ATOM 2279 CB LEU A 138 18.437 2.752 -0.033 1.00 0.00 C ATOM 2280 CG LEU A 138 18.141 1.252 0.095 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.358 0.780 1.526 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.731 0.933 -0.361 1.00 0.00 C ATOM 0 H LEU A 138 19.148 1.832 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 138 16.957 3.361 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.505 2.906 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 138 17.921 3.275 0.773 1.00 0.00 H new ATOM 0 HG LEU A 138 18.835 0.718 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.142 -0.286 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.393 0.960 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.694 1.328 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.549 -0.137 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.017 1.482 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.612 1.224 -1.405 1.00 0.00 H new ATOM 2294 N LEU A 139 19.730 5.115 -1.699 1.00 0.00 N ATOM 2295 CA LEU A 139 20.278 6.469 -1.742 1.00 0.00 C ATOM 2296 C LEU A 139 19.762 7.254 -2.948 1.00 0.00 C ATOM 2297 O LEU A 139 19.586 8.472 -2.879 1.00 0.00 O ATOM 2298 CB LEU A 139 21.805 6.403 -1.782 1.00 0.00 C ATOM 2299 CG LEU A 139 22.446 5.755 -0.559 1.00 0.00 C ATOM 2300 CD1 LEU A 139 23.941 5.570 -0.762 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.155 6.578 0.680 1.00 0.00 C ATOM 0 H LEU A 139 20.400 4.386 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 139 19.951 6.991 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.108 5.850 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.196 7.415 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 139 22.012 4.765 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.374 5.106 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.114 4.931 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.408 6.541 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.617 6.106 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.561 7.582 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.077 6.639 0.832 1.00 0.00 H new ATOM 2313 N LYS A 140 19.525 6.554 -4.049 1.00 0.00 N ATOM 2314 CA LYS A 140 19.079 7.187 -5.285 1.00 0.00 C ATOM 2315 C LYS A 140 17.638 7.664 -5.191 1.00 0.00 C ATOM 2316 O LYS A 140 17.240 8.587 -5.902 1.00 0.00 O ATOM 2317 CB LYS A 140 19.202 6.219 -6.449 1.00 0.00 C ATOM 2318 CG LYS A 140 20.133 6.699 -7.543 1.00 0.00 C ATOM 2319 CD LYS A 140 20.645 5.539 -8.372 1.00 0.00 C ATOM 2320 CE LYS A 140 21.646 4.714 -7.597 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.860 5.496 -7.239 1.00 0.00 N ATOM 0 H LYS A 140 19.635 5.542 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 140 19.720 8.053 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.559 5.259 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.213 6.048 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.609 7.406 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 140 20.974 7.233 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.809 4.909 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 140 21.109 5.916 -9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.178 4.337 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.936 3.846 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.697 4.880 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.973 6.287 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.761 5.869 -6.273 1.00 0.00 H new ATOM 2335 N ALA A 141 16.872 7.013 -4.328 1.00 0.00 N ATOM 2336 CA ALA A 141 15.448 7.292 -4.164 1.00 0.00 C ATOM 2337 C ALA A 141 15.153 8.784 -4.022 1.00 0.00 C ATOM 2338 O ALA A 141 14.539 9.362 -4.948 1.00 0.00 O ATOM 2339 CB ALA A 141 14.920 6.539 -2.962 1.00 0.00 C ATOM 2340 OXT ALA A 141 15.557 9.376 -2.997 1.00 0.00 O ATOM 0 H ALA A 141 17.220 6.273 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 141 14.942 6.955 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.857 6.748 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.065 5.469 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.457 6.857 -2.069 1.00 0.00 H new ATOM 2385 N ALA B 215 -17.649 3.701 9.731 1.00 0.00 N ATOM 2386 CA ALA B 215 -18.526 2.856 8.938 1.00 0.00 C ATOM 2387 C ALA B 215 -18.280 1.389 9.280 1.00 0.00 C ATOM 2388 O ALA B 215 -17.245 1.054 9.865 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.297 3.111 7.453 1.00 0.00 C ATOM 0 HA ALA B 215 -19.563 3.097 9.170 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -18.959 2.473 6.868 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.507 4.156 7.227 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.261 2.887 7.201 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.229 0.498 8.947 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.084 -0.930 9.220 1.00 0.00 C ATOM 2397 C PRO B 216 -17.843 -1.520 8.554 1.00 0.00 C ATOM 2398 O PRO B 216 -17.372 -1.018 7.531 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.351 -1.567 8.637 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.305 -0.450 8.381 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.506 0.820 8.287 1.00 0.00 C ATOM 0 HA PRO B 216 -18.964 -1.117 10.287 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.127 -2.105 7.716 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -20.777 -2.290 9.332 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -21.858 -0.623 7.458 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.039 -0.382 9.184 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.353 1.118 7.250 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.013 1.647 8.785 1.00 0.00 H new ATOM 2409 N ARG B 217 -17.302 -2.571 9.146 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.151 -3.251 8.579 1.00 0.00 C ATOM 2411 C ARG B 217 -16.273 -4.756 8.745 1.00 0.00 C ATOM 2412 O ARG B 217 -16.940 -5.239 9.658 1.00 0.00 O ATOM 2413 CB ARG B 217 -14.849 -2.736 9.196 1.00 0.00 C ATOM 2414 CG ARG B 217 -14.864 -2.625 10.709 1.00 0.00 C ATOM 2415 CD ARG B 217 -13.520 -2.138 11.226 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.020 -0.996 10.456 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.727 -0.690 10.331 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -10.811 -1.396 10.974 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -11.350 0.332 9.569 1.00 0.00 N ATOM 0 H ARG B 217 -17.642 -2.972 10.020 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.125 -3.031 7.512 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -14.036 -3.400 8.902 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -14.627 -1.755 8.776 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -15.650 -1.937 11.020 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -15.098 -3.595 11.147 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.615 -1.855 12.274 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -12.797 -2.952 11.180 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.701 -0.399 9.987 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -11.092 -2.177 11.567 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -9.824 -1.160 10.876 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.050 0.886 9.077 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -10.360 0.562 9.477 1.00 0.00 H new