USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=24 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= 0.00349 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -155:sc= 0.678 (180deg=-0.538!) USER MOD Set 2.1: A 48 GLN : amide:sc= 0 K(o=0.81,f=0.19) USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 93 LYS NZ :NH3+ 147:sc= 0.807 (180deg=0.591) USER MOD Set 3.1: A 32 THR OG1 : rot 90:sc= 1.26 USER MOD Set 3.2: A 33 HIS : no HD1:sc= -1.13! C(o=0.12!,f=-11!) USER MOD Set 4.1: A 18 HIS : no HD1:sc= 1.07 K(o=1.2,f=-14!) USER MOD Set 4.2: A 105 TYR OH : rot -176:sc= 0.179 USER MOD Set 4.3: A 119 HIS : no HD1:sc=-0.00542 X(o=1.2,f=1.2) USER MOD Single : A 11 GLN : amide:sc= -0.924 K(o=-0.92,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.0448 (180deg=-0.286) USER MOD Single : A 21 GLN : amide:sc= 0.0765 X(o=0.076,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.135) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.042) USER MOD Single : A 27 THR OG1 : rot 52:sc= -0.0848 USER MOD Single : A 36 MET CE :methyl 159:sc= -2.4 (180deg=-4.96!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 49:sc= -0.217 USER MOD Single : A 46 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.14) USER MOD Single : A 49 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4.6!) USER MOD Single : A 59 HIS : no HE2:sc= 0.883 K(o=0.88,f=-5.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= 0.126 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 2.2 (180deg=1.45) USER MOD Single : A 79 SER OG : rot 125:sc= 0.504 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.71! C(o=-2.7!,f=-10!) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0686) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.00026) USER MOD Single : A 118 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.2) USER MOD Single : A 122 CYS SG : rot -58:sc= 0.29 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 X(o=0,f=-0.22) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 137 LYS NZ :NH3+ 157:sc= 0.494 (180deg=0.0888) USER MOD Single : A 140 LYS NZ :NH3+ -159:sc= -0.0583 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.056 3.223 8.253 1.00 0.00 N ATOM 100 CA ALA A 9 21.722 2.679 8.089 1.00 0.00 C ATOM 101 C ALA A 9 20.935 3.537 7.113 1.00 0.00 C ATOM 102 O ALA A 9 20.701 4.722 7.361 1.00 0.00 O ATOM 103 CB ALA A 9 21.010 2.592 9.434 1.00 0.00 C ATOM 0 HA ALA A 9 21.796 1.669 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.010 2.182 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.576 1.944 10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.934 3.588 9.871 1.00 0.00 H new ATOM 109 N VAL A 10 20.531 2.944 6.001 1.00 0.00 N ATOM 110 CA VAL A 10 19.803 3.676 4.982 1.00 0.00 C ATOM 111 C VAL A 10 18.320 3.405 5.141 1.00 0.00 C ATOM 112 O VAL A 10 17.892 2.252 5.200 1.00 0.00 O ATOM 113 CB VAL A 10 20.256 3.304 3.552 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.604 4.220 2.533 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.770 3.353 3.420 1.00 0.00 C ATOM 0 H VAL A 10 20.695 1.961 5.783 1.00 0.00 H new ATOM 0 HA VAL A 10 20.013 4.737 5.117 1.00 0.00 H new ATOM 0 HB VAL A 10 19.937 2.280 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.934 3.944 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.520 4.123 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.889 5.252 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.055 3.086 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.122 4.360 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.219 2.648 4.119 1.00 0.00 H new ATOM 125 N GLN A 11 17.547 4.470 5.241 1.00 0.00 N ATOM 126 CA GLN A 11 16.133 4.359 5.540 1.00 0.00 C ATOM 127 C GLN A 11 15.309 4.720 4.325 1.00 0.00 C ATOM 128 O GLN A 11 15.511 5.774 3.718 1.00 0.00 O ATOM 129 CB GLN A 11 15.761 5.289 6.697 1.00 0.00 C ATOM 130 CG GLN A 11 16.776 5.304 7.826 1.00 0.00 C ATOM 131 CD GLN A 11 17.218 6.706 8.197 1.00 0.00 C ATOM 132 OE1 GLN A 11 18.350 6.913 8.630 1.00 0.00 O ATOM 133 NE2 GLN A 11 16.339 7.681 8.026 1.00 0.00 N ATOM 0 H GLN A 11 17.878 5.427 5.119 1.00 0.00 H new ATOM 0 HA GLN A 11 15.924 3.328 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.645 6.302 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.793 4.987 7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.346 4.819 8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.647 4.718 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.409 7.471 7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 11 16.592 8.642 8.256 1.00 0.00 H new ATOM 142 N VAL A 12 14.394 3.844 3.967 1.00 0.00 N ATOM 143 CA VAL A 12 13.482 4.106 2.887 1.00 0.00 C ATOM 144 C VAL A 12 12.099 4.369 3.467 1.00 0.00 C ATOM 145 O VAL A 12 11.744 3.796 4.503 1.00 0.00 O ATOM 146 CB VAL A 12 13.458 2.918 1.909 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.813 2.754 1.240 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.092 1.653 2.634 1.00 0.00 C ATOM 0 H VAL A 12 14.266 2.937 4.417 1.00 0.00 H new ATOM 0 HA VAL A 12 13.807 4.984 2.329 1.00 0.00 H new ATOM 0 HB VAL A 12 12.708 3.118 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.779 1.910 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.059 3.662 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.574 2.573 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.079 0.821 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.826 1.456 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.105 1.764 3.083 1.00 0.00 H new ATOM 158 N LYS A 13 11.322 5.235 2.836 1.00 0.00 N ATOM 159 CA LYS A 13 10.035 5.611 3.412 1.00 0.00 C ATOM 160 C LYS A 13 8.925 5.202 2.455 1.00 0.00 C ATOM 161 O LYS A 13 8.858 5.692 1.331 1.00 0.00 O ATOM 162 CB LYS A 13 9.955 7.132 3.722 1.00 0.00 C ATOM 163 CG LYS A 13 8.932 7.498 4.783 1.00 0.00 C ATOM 164 CD LYS A 13 9.104 8.950 5.205 1.00 0.00 C ATOM 165 CE LYS A 13 8.308 9.290 6.454 1.00 0.00 C ATOM 166 NZ LYS A 13 8.778 8.533 7.644 1.00 0.00 N ATOM 0 H LYS A 13 11.549 5.682 1.948 1.00 0.00 H new ATOM 0 HA LYS A 13 9.919 5.090 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.937 7.478 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.716 7.667 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.925 7.342 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.046 6.845 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.160 9.150 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.791 9.602 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.385 10.359 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.254 9.073 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.435 8.998 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.410 7.561 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.818 8.510 7.652 1.00 0.00 H new ATOM 180 N LEU A 14 8.081 4.272 2.877 1.00 0.00 N ATOM 181 CA LEU A 14 6.943 3.879 2.069 1.00 0.00 C ATOM 182 C LEU A 14 5.674 4.436 2.679 1.00 0.00 C ATOM 183 O LEU A 14 5.557 4.555 3.890 1.00 0.00 O ATOM 184 CB LEU A 14 6.848 2.361 1.936 1.00 0.00 C ATOM 185 CG LEU A 14 8.011 1.697 1.196 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.858 0.192 1.216 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.080 2.189 -0.236 1.00 0.00 C ATOM 0 H LEU A 14 8.164 3.781 3.767 1.00 0.00 H new ATOM 0 HA LEU A 14 7.076 4.287 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.779 1.929 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.921 2.115 1.418 1.00 0.00 H new ATOM 0 HG LEU A 14 8.937 1.965 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.693 -0.266 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.847 -0.159 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.923 -0.085 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.913 1.706 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.150 1.946 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.227 3.269 -0.243 1.00 0.00 H new ATOM 199 N GLU A 15 4.737 4.776 1.838 1.00 0.00 N ATOM 200 CA GLU A 15 3.551 5.483 2.260 1.00 0.00 C ATOM 201 C GLU A 15 2.299 4.685 1.924 1.00 0.00 C ATOM 202 O GLU A 15 2.085 4.306 0.772 1.00 0.00 O ATOM 203 CB GLU A 15 3.541 6.857 1.583 1.00 0.00 C ATOM 204 CG GLU A 15 2.394 7.760 1.992 1.00 0.00 C ATOM 205 CD GLU A 15 2.609 9.191 1.546 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.312 9.514 0.375 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.082 10.004 2.366 1.00 0.00 O ATOM 0 H GLU A 15 4.770 4.572 0.839 1.00 0.00 H new ATOM 0 HA GLU A 15 3.560 5.615 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.480 7.363 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.505 6.714 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.466 7.383 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.279 7.732 3.076 1.00 0.00 H new ATOM 214 N LEU A 16 1.498 4.414 2.950 1.00 0.00 N ATOM 215 CA LEU A 16 0.216 3.747 2.776 1.00 0.00 C ATOM 216 C LEU A 16 -0.858 4.801 2.698 1.00 0.00 C ATOM 217 O LEU A 16 -0.879 5.737 3.498 1.00 0.00 O ATOM 218 CB LEU A 16 -0.144 2.810 3.934 1.00 0.00 C ATOM 219 CG LEU A 16 0.681 1.535 4.103 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.776 0.776 2.802 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.063 1.848 4.631 1.00 0.00 C ATOM 0 H LEU A 16 1.719 4.649 3.918 1.00 0.00 H new ATOM 0 HA LEU A 16 0.290 3.146 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.073 3.380 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.188 2.520 3.818 1.00 0.00 H new ATOM 0 HG LEU A 16 0.170 0.906 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.368 -0.127 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.224 0.503 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.253 1.403 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.628 0.923 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.579 2.507 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.979 2.340 5.600 1.00 0.00 H new ATOM 233 N GLY A 17 -1.753 4.641 1.767 1.00 0.00 N ATOM 234 CA GLY A 17 -2.789 5.622 1.588 1.00 0.00 C ATOM 235 C GLY A 17 -4.076 5.024 1.115 1.00 0.00 C ATOM 236 O GLY A 17 -4.108 3.872 0.687 1.00 0.00 O ATOM 0 H GLY A 17 -1.789 3.850 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.959 6.141 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.455 6.370 0.869 1.00 0.00 H new ATOM 240 N HIS A 18 -5.139 5.802 1.222 1.00 0.00 N ATOM 241 CA HIS A 18 -6.426 5.420 0.686 1.00 0.00 C ATOM 242 C HIS A 18 -7.416 6.566 0.845 1.00 0.00 C ATOM 243 O HIS A 18 -7.372 7.315 1.824 1.00 0.00 O ATOM 244 CB HIS A 18 -6.951 4.124 1.355 1.00 0.00 C ATOM 245 CG HIS A 18 -8.113 4.308 2.283 1.00 0.00 C ATOM 246 ND1 HIS A 18 -7.989 4.854 3.542 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.431 4.048 2.116 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.175 4.928 4.104 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.065 4.443 3.262 1.00 0.00 N ATOM 0 H HIS A 18 -5.131 6.712 1.682 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.311 5.208 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.240 3.422 0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.133 3.664 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.894 3.611 1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.384 5.320 5.088 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.067 4.373 3.437 1.00 0.00 H new ATOM 258 N ARG A 19 -8.286 6.701 -0.131 1.00 0.00 N ATOM 259 CA ARG A 19 -9.386 7.640 -0.059 1.00 0.00 C ATOM 260 C ARG A 19 -10.679 6.854 -0.097 1.00 0.00 C ATOM 261 O ARG A 19 -10.684 5.710 -0.543 1.00 0.00 O ATOM 262 CB ARG A 19 -9.362 8.624 -1.229 1.00 0.00 C ATOM 263 CG ARG A 19 -8.101 9.460 -1.339 1.00 0.00 C ATOM 264 CD ARG A 19 -8.181 10.381 -2.545 1.00 0.00 C ATOM 265 NE ARG A 19 -9.272 11.348 -2.417 1.00 0.00 N ATOM 266 CZ ARG A 19 -9.898 11.926 -3.442 1.00 0.00 C ATOM 267 NH1 ARG A 19 -9.525 11.675 -4.691 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.895 12.767 -3.208 1.00 0.00 N ATOM 0 H ARG A 19 -8.252 6.164 -0.997 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.299 8.215 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.492 8.066 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.217 9.294 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.967 10.049 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.232 8.809 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.236 10.912 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.325 9.787 -3.447 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.575 11.598 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.753 11.034 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.011 12.123 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.178 12.968 -2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.379 13.213 -3.987 1.00 0.00 H new ATOM 282 N ALA A 20 -11.755 7.443 0.383 1.00 0.00 N ATOM 283 CA ALA A 20 -13.059 6.814 0.294 1.00 0.00 C ATOM 284 C ALA A 20 -14.142 7.855 0.094 1.00 0.00 C ATOM 285 O ALA A 20 -14.123 8.931 0.717 1.00 0.00 O ATOM 286 CB ALA A 20 -13.353 5.977 1.524 1.00 0.00 C ATOM 0 H ALA A 20 -11.754 8.356 0.839 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.048 6.150 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.337 5.519 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.598 5.197 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.335 6.613 2.409 1.00 0.00 H new ATOM 292 N GLN A 21 -15.071 7.527 -0.788 1.00 0.00 N ATOM 293 CA GLN A 21 -16.208 8.373 -1.076 1.00 0.00 C ATOM 294 C GLN A 21 -17.382 7.497 -1.476 1.00 0.00 C ATOM 295 O GLN A 21 -17.206 6.473 -2.140 1.00 0.00 O ATOM 296 CB GLN A 21 -15.856 9.392 -2.171 1.00 0.00 C ATOM 297 CG GLN A 21 -15.695 8.831 -3.578 1.00 0.00 C ATOM 298 CD GLN A 21 -16.909 9.065 -4.457 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.022 10.101 -5.115 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.814 8.100 -4.492 1.00 0.00 N ATOM 0 H GLN A 21 -15.054 6.660 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.485 8.943 -0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.633 10.156 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.928 9.890 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.822 9.286 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.501 7.760 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.683 7.258 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.642 8.199 -5.079 1.00 0.00 H new ATOM 309 N VAL A 22 -18.572 7.871 -1.056 1.00 0.00 N ATOM 310 CA VAL A 22 -19.737 7.051 -1.319 1.00 0.00 C ATOM 311 C VAL A 22 -20.545 7.615 -2.469 1.00 0.00 C ATOM 312 O VAL A 22 -20.665 8.829 -2.625 1.00 0.00 O ATOM 313 CB VAL A 22 -20.659 6.930 -0.094 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.658 5.805 -0.286 1.00 0.00 C ATOM 315 CG2 VAL A 22 -19.870 6.728 1.181 1.00 0.00 C ATOM 0 H VAL A 22 -18.758 8.729 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.358 6.061 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 22 -21.204 7.869 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.301 5.736 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -22.267 6.006 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.125 4.864 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -20.556 6.647 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -19.281 5.814 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -19.204 7.577 1.335 1.00 0.00 H new ATOM 325 N ARG A 23 -21.068 6.726 -3.279 1.00 0.00 N ATOM 326 CA ARG A 23 -22.044 7.089 -4.285 1.00 0.00 C ATOM 327 C ARG A 23 -23.423 6.744 -3.753 1.00 0.00 C ATOM 328 O ARG A 23 -23.651 5.629 -3.285 1.00 0.00 O ATOM 329 CB ARG A 23 -21.766 6.356 -5.602 1.00 0.00 C ATOM 330 CG ARG A 23 -21.063 5.023 -5.406 1.00 0.00 C ATOM 331 CD ARG A 23 -21.548 3.973 -6.388 1.00 0.00 C ATOM 332 NE ARG A 23 -21.328 4.365 -7.776 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.379 3.853 -8.552 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.460 3.045 -8.038 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.324 4.191 -9.833 1.00 0.00 N ATOM 0 H ARG A 23 -20.832 5.734 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.985 8.157 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.708 6.190 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.155 6.992 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.988 5.160 -5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.230 4.672 -4.388 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.033 3.032 -6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.611 3.794 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.941 5.076 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.481 2.815 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.733 2.654 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.008 4.842 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.597 3.801 -10.433 1.00 0.00 H new ATOM 349 N LYS A 24 -24.331 7.709 -3.800 1.00 0.00 N ATOM 350 CA LYS A 24 -25.665 7.535 -3.237 1.00 0.00 C ATOM 351 C LYS A 24 -26.456 6.517 -4.053 1.00 0.00 C ATOM 352 O LYS A 24 -27.537 6.079 -3.654 1.00 0.00 O ATOM 353 CB LYS A 24 -26.402 8.874 -3.203 1.00 0.00 C ATOM 354 CG LYS A 24 -27.578 8.901 -2.241 1.00 0.00 C ATOM 355 CD LYS A 24 -27.111 8.932 -0.795 1.00 0.00 C ATOM 356 CE LYS A 24 -28.281 8.851 0.171 1.00 0.00 C ATOM 357 NZ LYS A 24 -28.946 7.522 0.126 1.00 0.00 N ATOM 0 H LYS A 24 -24.169 8.623 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.568 7.163 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.698 9.659 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.759 9.107 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -28.196 9.775 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.204 8.024 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.430 8.100 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -26.550 9.849 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -27.930 9.047 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.006 9.628 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -29.587 7.427 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -29.491 7.436 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -28.226 6.772 0.163 1.00 0.00 H new ATOM 371 N LYS A 25 -25.902 6.145 -5.196 1.00 0.00 N ATOM 372 CA LYS A 25 -26.503 5.144 -6.054 1.00 0.00 C ATOM 373 C LYS A 25 -25.493 4.026 -6.304 1.00 0.00 C ATOM 374 O LYS A 25 -24.588 4.168 -7.129 1.00 0.00 O ATOM 375 CB LYS A 25 -26.965 5.790 -7.370 1.00 0.00 C ATOM 376 CG LYS A 25 -27.853 4.901 -8.228 1.00 0.00 C ATOM 377 CD LYS A 25 -27.062 4.098 -9.244 1.00 0.00 C ATOM 378 CE LYS A 25 -27.976 3.174 -10.024 1.00 0.00 C ATOM 379 NZ LYS A 25 -28.866 3.920 -10.954 1.00 0.00 N ATOM 0 H LYS A 25 -25.026 6.529 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.380 4.715 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.505 6.709 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.086 6.073 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -28.410 4.219 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.586 5.518 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.549 4.773 -9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -26.294 3.515 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -27.374 2.464 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -28.583 2.594 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -29.388 3.246 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -29.540 4.492 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -28.293 4.544 -11.557 1.00 0.00 H new ATOM 393 N PRO A 26 -25.622 2.913 -5.557 1.00 0.00 N ATOM 394 CA PRO A 26 -24.718 1.759 -5.668 1.00 0.00 C ATOM 395 C PRO A 26 -24.657 1.190 -7.081 1.00 0.00 C ATOM 396 O PRO A 26 -25.498 1.495 -7.927 1.00 0.00 O ATOM 397 CB PRO A 26 -25.325 0.725 -4.712 1.00 0.00 C ATOM 398 CG PRO A 26 -26.172 1.506 -3.771 1.00 0.00 C ATOM 399 CD PRO A 26 -26.664 2.702 -4.538 1.00 0.00 C ATOM 0 HA PRO A 26 -23.692 2.037 -5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -25.917 -0.012 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.547 0.178 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.007 0.906 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.599 1.814 -2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.637 2.514 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.776 3.573 -3.893 1.00 0.00 H new ATOM 407 N THR A 27 -23.654 0.364 -7.335 1.00 0.00 N ATOM 408 CA THR A 27 -23.513 -0.276 -8.632 1.00 0.00 C ATOM 409 C THR A 27 -24.495 -1.442 -8.748 1.00 0.00 C ATOM 410 O THR A 27 -25.253 -1.712 -7.814 1.00 0.00 O ATOM 411 CB THR A 27 -22.060 -0.768 -8.876 1.00 0.00 C ATOM 412 OG1 THR A 27 -21.931 -1.373 -10.171 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.632 -1.763 -7.812 1.00 0.00 C ATOM 0 H THR A 27 -22.927 0.122 -6.661 1.00 0.00 H new ATOM 0 HA THR A 27 -23.741 0.466 -9.398 1.00 0.00 H new ATOM 0 HB THR A 27 -21.411 0.107 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.282 -0.763 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.611 -2.090 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.679 -1.290 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.299 -2.625 -7.831 1.00 0.00 H new ATOM 421 N VAL A 28 -24.478 -2.114 -9.887 1.00 0.00 N ATOM 422 CA VAL A 28 -25.369 -3.235 -10.163 1.00 0.00 C ATOM 423 C VAL A 28 -25.408 -4.255 -9.016 1.00 0.00 C ATOM 424 O VAL A 28 -26.479 -4.718 -8.625 1.00 0.00 O ATOM 425 CB VAL A 28 -24.961 -3.925 -11.478 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.469 -4.235 -11.491 1.00 0.00 C ATOM 427 CG2 VAL A 28 -25.779 -5.186 -11.707 1.00 0.00 C ATOM 0 H VAL A 28 -23.841 -1.897 -10.654 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.376 -2.828 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.169 -3.236 -12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -23.207 -4.722 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -22.904 -3.308 -11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.228 -4.897 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.472 -5.654 -12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.616 -5.880 -10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.837 -4.929 -11.761 1.00 0.00 H new ATOM 437 N GLU A 29 -24.248 -4.577 -8.455 1.00 0.00 N ATOM 438 CA GLU A 29 -24.174 -5.580 -7.397 1.00 0.00 C ATOM 439 C GLU A 29 -24.353 -4.955 -6.011 1.00 0.00 C ATOM 440 O GLU A 29 -24.229 -5.634 -4.992 1.00 0.00 O ATOM 441 CB GLU A 29 -22.855 -6.346 -7.478 1.00 0.00 C ATOM 442 CG GLU A 29 -22.675 -7.096 -8.790 1.00 0.00 C ATOM 443 CD GLU A 29 -21.534 -8.089 -8.746 1.00 0.00 C ATOM 444 OE1 GLU A 29 -21.768 -9.253 -8.355 1.00 0.00 O ATOM 445 OE2 GLU A 29 -20.403 -7.723 -9.123 1.00 0.00 O ATOM 0 H GLU A 29 -23.352 -4.162 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.995 -6.281 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -22.028 -5.647 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.803 -7.055 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.599 -7.621 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.496 -6.379 -9.591 1.00 0.00 H new ATOM 452 N GLY A 30 -24.636 -3.659 -5.982 1.00 0.00 N ATOM 453 CA GLY A 30 -24.981 -2.996 -4.737 1.00 0.00 C ATOM 454 C GLY A 30 -23.777 -2.547 -3.936 1.00 0.00 C ATOM 455 O GLY A 30 -23.817 -2.518 -2.707 1.00 0.00 O ATOM 0 H GLY A 30 -24.633 -3.052 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.604 -2.129 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.580 -3.673 -4.128 1.00 0.00 H new ATOM 459 N PHE A 31 -22.708 -2.188 -4.623 1.00 0.00 N ATOM 460 CA PHE A 31 -21.527 -1.667 -3.960 1.00 0.00 C ATOM 461 C PHE A 31 -21.667 -0.152 -3.825 1.00 0.00 C ATOM 462 O PHE A 31 -21.860 0.553 -4.819 1.00 0.00 O ATOM 463 CB PHE A 31 -20.257 -2.033 -4.736 1.00 0.00 C ATOM 464 CG PHE A 31 -20.136 -3.501 -5.084 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.747 -4.480 -4.312 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.404 -3.899 -6.189 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.629 -5.817 -4.639 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.283 -5.232 -6.518 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.896 -6.193 -5.743 1.00 0.00 C ATOM 0 H PHE A 31 -22.633 -2.248 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.440 -2.113 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.228 -1.451 -5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.389 -1.739 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.322 -4.192 -3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.920 -3.154 -6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -21.111 -6.567 -4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.707 -5.524 -7.384 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.802 -7.238 -6.001 1.00 0.00 H new ATOM 479 N THR A 32 -21.605 0.327 -2.592 1.00 0.00 N ATOM 480 CA THR A 32 -21.916 1.719 -2.279 1.00 0.00 C ATOM 481 C THR A 32 -20.661 2.579 -2.097 1.00 0.00 C ATOM 482 O THR A 32 -20.644 3.761 -2.443 1.00 0.00 O ATOM 483 CB THR A 32 -22.758 1.798 -0.990 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.046 1.211 0.112 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.071 1.084 -1.163 1.00 0.00 C ATOM 0 H THR A 32 -21.339 -0.233 -1.782 1.00 0.00 H new ATOM 0 HA THR A 32 -22.474 2.110 -3.130 1.00 0.00 H new ATOM 0 HB THR A 32 -22.948 2.851 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.501 1.897 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.647 1.154 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.631 1.545 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.887 0.036 -1.398 1.00 0.00 H new ATOM 493 N HIS A 33 -19.614 1.977 -1.564 1.00 0.00 N ATOM 494 CA HIS A 33 -18.428 2.712 -1.151 1.00 0.00 C ATOM 495 C HIS A 33 -17.271 2.476 -2.108 1.00 0.00 C ATOM 496 O HIS A 33 -16.824 1.346 -2.279 1.00 0.00 O ATOM 497 CB HIS A 33 -18.022 2.281 0.262 1.00 0.00 C ATOM 498 CG HIS A 33 -18.830 2.904 1.360 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.127 2.542 1.659 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.495 3.858 2.256 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.550 3.249 2.693 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.578 4.053 3.072 1.00 0.00 N ATOM 0 H HIS A 33 -19.559 0.971 -1.405 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.666 3.776 -1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.108 1.197 0.336 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.972 2.529 0.416 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.547 4.372 2.318 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.526 3.179 3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.624 4.714 3.848 1.00 0.00 H new ATOM 511 N ASP A 34 -16.780 3.548 -2.710 1.00 0.00 N ATOM 512 CA ASP A 34 -15.651 3.464 -3.627 1.00 0.00 C ATOM 513 C ASP A 34 -14.413 4.008 -2.947 1.00 0.00 C ATOM 514 O ASP A 34 -14.462 5.057 -2.297 1.00 0.00 O ATOM 515 CB ASP A 34 -15.925 4.244 -4.919 1.00 0.00 C ATOM 516 CG ASP A 34 -16.834 3.498 -5.877 1.00 0.00 C ATOM 517 OD1 ASP A 34 -18.045 3.386 -5.600 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.338 3.023 -6.922 1.00 0.00 O ATOM 0 H ASP A 34 -17.147 4.491 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.498 2.418 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.378 5.203 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.979 4.458 -5.416 1.00 0.00 H new ATOM 523 N TRP A 35 -13.314 3.292 -3.076 1.00 0.00 N ATOM 524 CA TRP A 35 -12.078 3.702 -2.444 1.00 0.00 C ATOM 525 C TRP A 35 -10.873 3.459 -3.344 1.00 0.00 C ATOM 526 O TRP A 35 -10.959 2.756 -4.354 1.00 0.00 O ATOM 527 CB TRP A 35 -11.891 3.005 -1.088 1.00 0.00 C ATOM 528 CG TRP A 35 -11.979 1.502 -1.115 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.050 0.729 -0.749 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.937 0.589 -1.490 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.733 -0.605 -0.879 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.443 -0.715 -1.331 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.624 0.750 -1.947 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.678 -1.850 -1.610 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.868 -0.375 -2.221 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.394 -1.658 -2.050 1.00 0.00 C ATOM 0 H TRP A 35 -13.252 2.426 -3.611 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.148 4.776 -2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.919 3.288 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.645 3.384 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.002 1.110 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.357 -1.385 -0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.208 1.737 -2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.084 -2.843 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.854 -0.260 -2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.776 -2.516 -2.269 1.00 0.00 H new ATOM 547 N MET A 36 -9.756 4.051 -2.955 1.00 0.00 N ATOM 548 CA MET A 36 -8.505 3.944 -3.693 1.00 0.00 C ATOM 549 C MET A 36 -7.334 3.917 -2.724 1.00 0.00 C ATOM 550 O MET A 36 -7.246 4.772 -1.855 1.00 0.00 O ATOM 551 CB MET A 36 -8.345 5.132 -4.638 1.00 0.00 C ATOM 552 CG MET A 36 -6.946 5.261 -5.216 1.00 0.00 C ATOM 553 SD MET A 36 -6.679 6.859 -5.979 1.00 0.00 S ATOM 554 CE MET A 36 -6.765 7.861 -4.507 1.00 0.00 C ATOM 0 H MET A 36 -9.690 4.623 -2.113 1.00 0.00 H new ATOM 0 HA MET A 36 -8.523 3.022 -4.274 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.060 5.035 -5.455 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.595 6.048 -4.103 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.212 5.110 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.785 4.475 -5.954 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.268 8.814 -4.686 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.809 8.039 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.271 7.343 -3.685 1.00 0.00 H new ATOM 564 N VAL A 37 -6.440 2.950 -2.880 1.00 0.00 N ATOM 565 CA VAL A 37 -5.291 2.810 -1.986 1.00 0.00 C ATOM 566 C VAL A 37 -3.994 3.292 -2.621 1.00 0.00 C ATOM 567 O VAL A 37 -3.883 3.372 -3.844 1.00 0.00 O ATOM 568 CB VAL A 37 -5.100 1.357 -1.528 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.851 1.103 -0.251 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.566 0.400 -2.602 1.00 0.00 C ATOM 0 H VAL A 37 -6.486 2.248 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.516 3.440 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.038 1.192 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.704 0.068 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.481 1.770 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.914 1.286 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.424 -0.626 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.623 0.571 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.988 0.564 -3.511 1.00 0.00 H new ATOM 580 N PHE A 38 -3.028 3.581 -1.753 1.00 0.00 N ATOM 581 CA PHE A 38 -1.724 4.133 -2.123 1.00 0.00 C ATOM 582 C PHE A 38 -0.578 3.340 -1.498 1.00 0.00 C ATOM 583 O PHE A 38 -0.618 3.035 -0.305 1.00 0.00 O ATOM 584 CB PHE A 38 -1.610 5.563 -1.584 1.00 0.00 C ATOM 585 CG PHE A 38 -2.018 6.661 -2.515 1.00 0.00 C ATOM 586 CD1 PHE A 38 -3.323 7.131 -2.558 1.00 0.00 C ATOM 587 CD2 PHE A 38 -1.068 7.250 -3.321 1.00 0.00 C ATOM 588 CE1 PHE A 38 -3.665 8.167 -3.403 1.00 0.00 C ATOM 589 CE2 PHE A 38 -1.400 8.289 -4.165 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.706 8.749 -4.209 1.00 0.00 C ATOM 0 H PHE A 38 -3.131 3.435 -0.749 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.653 4.094 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.217 5.637 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.575 5.734 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.076 6.683 -1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.049 6.893 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.684 8.523 -3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.644 8.742 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.973 9.559 -4.871 1.00 0.00 H new ATOM 600 N VAL A 39 0.425 2.999 -2.307 1.00 0.00 N ATOM 601 CA VAL A 39 1.735 2.612 -1.795 1.00 0.00 C ATOM 602 C VAL A 39 2.842 3.231 -2.652 1.00 0.00 C ATOM 603 O VAL A 39 2.938 2.975 -3.849 1.00 0.00 O ATOM 604 CB VAL A 39 1.913 1.082 -1.707 1.00 0.00 C ATOM 605 CG1 VAL A 39 1.117 0.534 -0.548 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.493 0.398 -2.991 1.00 0.00 C ATOM 0 H VAL A 39 0.352 2.984 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 39 1.806 2.996 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 39 2.972 0.878 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.249 -0.547 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.465 0.989 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.061 0.764 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.632 -0.679 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.443 0.611 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.101 0.768 -3.816 1.00 0.00 H new ATOM 616 N ARG A 40 3.653 4.077 -2.034 1.00 0.00 N ATOM 617 CA ARG A 40 4.711 4.806 -2.737 1.00 0.00 C ATOM 618 C ARG A 40 5.700 5.374 -1.735 1.00 0.00 C ATOM 619 O ARG A 40 5.621 5.076 -0.554 1.00 0.00 O ATOM 620 CB ARG A 40 4.135 5.968 -3.552 1.00 0.00 C ATOM 621 CG ARG A 40 3.439 7.007 -2.675 1.00 0.00 C ATOM 622 CD ARG A 40 3.340 8.374 -3.337 1.00 0.00 C ATOM 623 NE ARG A 40 2.745 9.356 -2.433 1.00 0.00 N ATOM 624 CZ ARG A 40 1.998 10.380 -2.831 1.00 0.00 C ATOM 625 NH1 ARG A 40 1.716 10.540 -4.119 1.00 0.00 N ATOM 626 NH2 ARG A 40 1.514 11.227 -1.935 1.00 0.00 N ATOM 0 H ARG A 40 3.601 4.280 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 40 5.205 4.104 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.938 6.448 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.425 5.579 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.437 6.655 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.982 7.103 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.333 8.708 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.740 8.300 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 40 2.914 9.248 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.073 9.876 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.142 11.327 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.715 11.092 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.940 12.015 -2.236 1.00 0.00 H new ATOM 640 N GLY A 41 6.644 6.164 -2.221 1.00 0.00 N ATOM 641 CA GLY A 41 7.540 6.879 -1.334 1.00 0.00 C ATOM 642 C GLY A 41 7.139 8.335 -1.183 1.00 0.00 C ATOM 643 O GLY A 41 6.285 8.818 -1.930 1.00 0.00 O ATOM 0 H GLY A 41 6.807 6.324 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.542 6.399 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.558 6.820 -1.720 1.00 0.00 H new ATOM 647 N PRO A 42 7.745 9.058 -0.228 1.00 0.00 N ATOM 648 CA PRO A 42 7.447 10.475 0.019 1.00 0.00 C ATOM 649 C PRO A 42 7.711 11.332 -1.204 1.00 0.00 C ATOM 650 O PRO A 42 8.491 10.956 -2.077 1.00 0.00 O ATOM 651 CB PRO A 42 8.407 10.856 1.158 1.00 0.00 C ATOM 652 CG PRO A 42 8.787 9.562 1.790 1.00 0.00 C ATOM 653 CD PRO A 42 8.775 8.550 0.687 1.00 0.00 C ATOM 0 HA PRO A 42 6.397 10.634 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.283 11.382 0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.924 11.519 1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.773 9.626 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.084 9.290 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.746 8.477 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.529 7.555 1.057 1.00 0.00 H new ATOM 661 N GLU A 43 7.040 12.470 -1.268 1.00 0.00 N ATOM 662 CA GLU A 43 7.209 13.398 -2.370 1.00 0.00 C ATOM 663 C GLU A 43 8.686 13.728 -2.564 1.00 0.00 C ATOM 664 O GLU A 43 9.351 14.180 -1.631 1.00 0.00 O ATOM 665 CB GLU A 43 6.413 14.686 -2.136 1.00 0.00 C ATOM 666 CG GLU A 43 4.949 14.465 -1.776 1.00 0.00 C ATOM 667 CD GLU A 43 4.743 14.194 -0.300 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.555 15.164 0.464 1.00 0.00 O ATOM 669 OE2 GLU A 43 4.778 13.014 0.109 1.00 0.00 O ATOM 0 H GLU A 43 6.368 12.774 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 43 6.828 12.919 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.890 15.253 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.465 15.299 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.372 15.344 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.560 13.626 -2.353 1.00 0.00 H new ATOM 676 N HIS A 44 9.166 13.450 -3.776 1.00 0.00 N ATOM 677 CA HIS A 44 10.559 13.691 -4.213 1.00 0.00 C ATOM 678 C HIS A 44 11.427 12.452 -4.017 1.00 0.00 C ATOM 679 O HIS A 44 12.472 12.316 -4.650 1.00 0.00 O ATOM 680 CB HIS A 44 11.206 14.914 -3.536 1.00 0.00 C ATOM 681 CG HIS A 44 10.670 16.235 -4.007 1.00 0.00 C ATOM 682 ND1 HIS A 44 11.091 16.840 -5.169 1.00 0.00 N ATOM 683 CD2 HIS A 44 9.744 17.068 -3.468 1.00 0.00 C ATOM 684 CE1 HIS A 44 10.448 17.980 -5.329 1.00 0.00 C ATOM 685 NE2 HIS A 44 9.622 18.144 -4.313 1.00 0.00 N ATOM 0 H HIS A 44 8.587 13.039 -4.509 1.00 0.00 H new ATOM 0 HA HIS A 44 10.500 13.914 -5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.059 14.839 -2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.281 14.887 -3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.203 16.914 -2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 44 10.576 18.665 -6.154 1.00 0.00 H new ATOM 0 HE2 HIS A 44 8.997 18.938 -4.178 1.00 0.00 H new ATOM 694 N SER A 45 10.993 11.552 -3.154 1.00 0.00 N ATOM 695 CA SER A 45 11.645 10.259 -3.005 1.00 0.00 C ATOM 696 C SER A 45 10.897 9.207 -3.813 1.00 0.00 C ATOM 697 O SER A 45 9.734 8.899 -3.534 1.00 0.00 O ATOM 698 CB SER A 45 11.707 9.861 -1.530 1.00 0.00 C ATOM 699 OG SER A 45 10.763 10.594 -0.774 1.00 0.00 O ATOM 0 H SER A 45 10.189 11.691 -2.542 1.00 0.00 H new ATOM 0 HA SER A 45 12.665 10.330 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.512 8.793 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.710 10.041 -1.142 1.00 0.00 H new ATOM 0 HG SER A 45 9.889 10.555 -1.216 1.00 0.00 H new ATOM 705 N ASN A 46 11.548 8.673 -4.828 1.00 0.00 N ATOM 706 CA ASN A 46 10.920 7.674 -5.672 1.00 0.00 C ATOM 707 C ASN A 46 11.288 6.279 -5.205 1.00 0.00 C ATOM 708 O ASN A 46 12.465 5.937 -5.083 1.00 0.00 O ATOM 709 CB ASN A 46 11.323 7.863 -7.137 1.00 0.00 C ATOM 710 CG ASN A 46 10.595 9.017 -7.806 1.00 0.00 C ATOM 711 OD1 ASN A 46 11.130 9.659 -8.708 1.00 0.00 O ATOM 712 ND2 ASN A 46 9.366 9.277 -7.384 1.00 0.00 N ATOM 0 H ASN A 46 12.505 8.912 -5.088 1.00 0.00 H new ATOM 0 HA ASN A 46 9.840 7.798 -5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.398 8.036 -7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.119 6.944 -7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.829 10.032 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.957 8.722 -6.633 1.00 0.00 H new ATOM 719 N ILE A 47 10.272 5.464 -4.972 1.00 0.00 N ATOM 720 CA ILE A 47 10.495 4.110 -4.496 1.00 0.00 C ATOM 721 C ILE A 47 10.818 3.183 -5.637 1.00 0.00 C ATOM 722 O ILE A 47 11.476 2.182 -5.438 1.00 0.00 O ATOM 723 CB ILE A 47 9.348 3.518 -3.654 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.034 3.343 -4.411 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.125 4.382 -2.445 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.305 2.104 -4.015 1.00 0.00 C ATOM 0 H ILE A 47 9.292 5.714 -5.104 1.00 0.00 H new ATOM 0 HA ILE A 47 11.348 4.195 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 47 9.663 2.514 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.397 4.209 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.237 3.314 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.314 3.967 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.037 4.415 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.862 5.391 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.378 2.030 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.928 1.234 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.075 2.142 -2.950 1.00 0.00 H new ATOM 738 N GLN A 48 10.399 3.549 -6.838 1.00 0.00 N ATOM 739 CA GLN A 48 10.680 2.757 -8.038 1.00 0.00 C ATOM 740 C GLN A 48 12.189 2.511 -8.221 1.00 0.00 C ATOM 741 O GLN A 48 12.597 1.684 -9.029 1.00 0.00 O ATOM 742 CB GLN A 48 10.086 3.472 -9.262 1.00 0.00 C ATOM 743 CG GLN A 48 10.262 2.746 -10.593 1.00 0.00 C ATOM 744 CD GLN A 48 9.519 1.409 -10.660 1.00 0.00 C ATOM 745 OE1 GLN A 48 10.107 0.363 -10.390 1.00 0.00 O ATOM 746 NE2 GLN A 48 8.218 1.416 -10.975 1.00 0.00 N ATOM 0 H GLN A 48 9.858 4.396 -7.014 1.00 0.00 H new ATOM 0 HA GLN A 48 10.215 1.777 -7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.021 3.627 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.542 4.459 -9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.909 3.390 -11.399 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.324 2.572 -10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.751 2.296 -11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.693 0.542 -10.995 1.00 0.00 H new ATOM 755 N HIS A 49 13.014 3.217 -7.457 1.00 0.00 N ATOM 756 CA HIS A 49 14.454 2.987 -7.482 1.00 0.00 C ATOM 757 C HIS A 49 14.832 1.750 -6.668 1.00 0.00 C ATOM 758 O HIS A 49 15.663 0.955 -7.098 1.00 0.00 O ATOM 759 CB HIS A 49 15.227 4.210 -6.971 1.00 0.00 C ATOM 760 CG HIS A 49 15.478 5.242 -8.031 1.00 0.00 C ATOM 761 ND1 HIS A 49 15.991 4.935 -9.272 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.267 6.578 -8.037 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.080 6.036 -9.995 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.647 7.048 -9.270 1.00 0.00 N ATOM 0 H HIS A 49 12.713 3.950 -6.815 1.00 0.00 H new ATOM 0 HA HIS A 49 14.732 2.816 -8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.669 4.668 -6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.182 3.882 -6.561 1.00 0.00 H new ATOM 0 HD2 HIS A 49 14.872 7.167 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.446 6.097 -11.009 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.602 8.020 -9.575 1.00 0.00 H new ATOM 773 N PHE A 50 14.211 1.571 -5.504 1.00 0.00 N ATOM 774 CA PHE A 50 14.549 0.446 -4.636 1.00 0.00 C ATOM 775 C PHE A 50 13.389 -0.543 -4.532 1.00 0.00 C ATOM 776 O PHE A 50 13.500 -1.591 -3.892 1.00 0.00 O ATOM 777 CB PHE A 50 14.989 0.940 -3.249 1.00 0.00 C ATOM 778 CG PHE A 50 13.990 1.804 -2.529 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.975 1.253 -1.762 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.086 3.179 -2.608 1.00 0.00 C ATOM 781 CE1 PHE A 50 12.079 2.062 -1.097 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.189 3.990 -1.944 1.00 0.00 C ATOM 783 CZ PHE A 50 12.184 3.432 -1.189 1.00 0.00 C ATOM 0 H PHE A 50 13.479 2.183 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 50 15.389 -0.084 -5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.211 0.073 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.918 1.500 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.886 0.179 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.873 3.625 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.293 1.621 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.276 5.064 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.480 4.066 -0.670 1.00 0.00 H new ATOM 793 N VAL A 51 12.294 -0.207 -5.193 1.00 0.00 N ATOM 794 CA VAL A 51 11.080 -1.000 -5.176 1.00 0.00 C ATOM 795 C VAL A 51 10.788 -1.494 -6.588 1.00 0.00 C ATOM 796 O VAL A 51 10.993 -0.770 -7.563 1.00 0.00 O ATOM 797 CB VAL A 51 9.917 -0.152 -4.611 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.571 -0.808 -4.803 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.137 0.115 -3.132 1.00 0.00 C ATOM 0 H VAL A 51 12.224 0.636 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 51 11.200 -1.870 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 51 9.911 0.784 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.792 -0.169 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.388 -0.958 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.560 -1.771 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.313 0.713 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.183 -0.832 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.073 0.656 -2.995 1.00 0.00 H new ATOM 809 N GLU A 52 10.360 -2.743 -6.695 1.00 0.00 N ATOM 810 CA GLU A 52 10.243 -3.409 -7.986 1.00 0.00 C ATOM 811 C GLU A 52 8.788 -3.505 -8.431 1.00 0.00 C ATOM 812 O GLU A 52 8.411 -2.990 -9.485 1.00 0.00 O ATOM 813 CB GLU A 52 10.862 -4.806 -7.891 1.00 0.00 C ATOM 814 CG GLU A 52 10.996 -5.522 -9.223 1.00 0.00 C ATOM 815 CD GLU A 52 11.700 -6.855 -9.084 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.898 -6.868 -8.727 1.00 0.00 O ATOM 817 OE2 GLU A 52 11.061 -7.898 -9.325 1.00 0.00 O ATOM 0 H GLU A 52 10.086 -3.319 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 52 10.777 -2.820 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.849 -4.723 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.253 -5.416 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.006 -5.678 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.549 -4.891 -9.919 1.00 0.00 H new ATOM 824 N LYS A 53 7.984 -4.185 -7.635 1.00 0.00 N ATOM 825 CA LYS A 53 6.571 -4.333 -7.912 1.00 0.00 C ATOM 826 C LYS A 53 5.786 -4.225 -6.616 1.00 0.00 C ATOM 827 O LYS A 53 6.368 -4.091 -5.546 1.00 0.00 O ATOM 828 CB LYS A 53 6.304 -5.672 -8.604 1.00 0.00 C ATOM 829 CG LYS A 53 6.764 -6.885 -7.808 1.00 0.00 C ATOM 830 CD LYS A 53 6.416 -8.190 -8.506 1.00 0.00 C ATOM 831 CE LYS A 53 4.916 -8.379 -8.633 1.00 0.00 C ATOM 832 NZ LYS A 53 4.581 -9.485 -9.567 1.00 0.00 N ATOM 0 H LYS A 53 8.293 -4.649 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 53 6.248 -3.538 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.235 -5.762 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.805 -5.675 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.842 -6.831 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.302 -6.867 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.869 -8.204 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.842 -9.025 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.491 -8.589 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.461 -7.454 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.548 -9.586 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.966 -9.272 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.995 -10.373 -9.217 1.00 0.00 H new ATOM 846 N VAL A 54 4.475 -4.282 -6.713 1.00 0.00 N ATOM 847 CA VAL A 54 3.607 -4.084 -5.563 1.00 0.00 C ATOM 848 C VAL A 54 2.366 -4.957 -5.687 1.00 0.00 C ATOM 849 O VAL A 54 1.983 -5.329 -6.796 1.00 0.00 O ATOM 850 CB VAL A 54 3.228 -2.593 -5.444 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.917 -2.376 -4.711 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.342 -1.850 -4.732 1.00 0.00 C ATOM 0 H VAL A 54 3.979 -4.466 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 54 4.136 -4.377 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 54 3.094 -2.208 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.702 -1.309 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.113 -2.882 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.993 -2.781 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.079 -0.796 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.483 -2.272 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.266 -1.948 -5.301 1.00 0.00 H new ATOM 862 N VAL A 55 1.759 -5.303 -4.560 1.00 0.00 N ATOM 863 CA VAL A 55 0.577 -6.144 -4.565 1.00 0.00 C ATOM 864 C VAL A 55 -0.397 -5.717 -3.468 1.00 0.00 C ATOM 865 O VAL A 55 0.010 -5.271 -2.392 1.00 0.00 O ATOM 866 CB VAL A 55 0.959 -7.637 -4.411 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.344 -8.259 -3.169 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.554 -8.420 -5.646 1.00 0.00 C ATOM 0 H VAL A 55 2.068 -5.013 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 55 0.080 -6.021 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 55 2.042 -7.682 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.639 -9.306 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.693 -7.727 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.742 -8.191 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.830 -9.467 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.524 -8.344 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.065 -8.013 -6.519 1.00 0.00 H new ATOM 878 N PHE A 56 -1.678 -5.845 -3.761 1.00 0.00 N ATOM 879 CA PHE A 56 -2.728 -5.539 -2.807 1.00 0.00 C ATOM 880 C PHE A 56 -3.607 -6.758 -2.630 1.00 0.00 C ATOM 881 O PHE A 56 -4.026 -7.354 -3.609 1.00 0.00 O ATOM 882 CB PHE A 56 -3.577 -4.354 -3.287 1.00 0.00 C ATOM 883 CG PHE A 56 -2.948 -3.018 -3.045 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.895 -2.579 -3.831 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.417 -2.196 -2.037 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.321 -1.346 -3.616 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.844 -0.959 -1.817 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.796 -0.533 -2.608 1.00 0.00 C ATOM 0 H PHE A 56 -2.020 -6.164 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.270 -5.267 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.769 -4.466 -4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.544 -4.386 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.520 -3.212 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.238 -2.524 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.500 -1.016 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.216 -0.325 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.349 0.435 -2.438 1.00 0.00 H new ATOM 898 N HIS A 57 -3.856 -7.148 -1.394 1.00 0.00 N ATOM 899 CA HIS A 57 -4.744 -8.271 -1.123 1.00 0.00 C ATOM 900 C HIS A 57 -6.057 -7.754 -0.560 1.00 0.00 C ATOM 901 O HIS A 57 -6.240 -7.703 0.658 1.00 0.00 O ATOM 902 CB HIS A 57 -4.124 -9.243 -0.108 1.00 0.00 C ATOM 903 CG HIS A 57 -2.813 -9.850 -0.517 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.686 -11.172 -0.865 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.562 -9.328 -0.577 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.419 -11.442 -1.114 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.712 -10.342 -0.946 1.00 0.00 N ATOM 0 H HIS A 57 -3.460 -6.709 -0.563 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.909 -8.801 -2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.982 -8.715 0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.835 -10.048 0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.286 -8.304 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.026 -12.404 -1.407 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.297 -10.258 -1.069 1.00 0.00 H new ATOM 916 N LEU A 58 -6.961 -7.351 -1.439 1.00 0.00 N ATOM 917 CA LEU A 58 -8.274 -6.886 -1.005 1.00 0.00 C ATOM 918 C LEU A 58 -9.067 -8.082 -0.476 1.00 0.00 C ATOM 919 O LEU A 58 -8.547 -9.200 -0.416 1.00 0.00 O ATOM 920 CB LEU A 58 -9.058 -6.204 -2.142 1.00 0.00 C ATOM 921 CG LEU A 58 -8.236 -5.502 -3.222 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.158 -4.790 -4.177 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.220 -4.535 -2.628 1.00 0.00 C ATOM 0 H LEU A 58 -6.815 -7.335 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.129 -6.140 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.680 -6.957 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.732 -5.471 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.671 -6.260 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.570 -4.290 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.827 -5.513 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.746 -4.051 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.658 -4.059 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.739 -3.773 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.534 -5.081 -1.980 1.00 0.00 H new ATOM 935 N HIS A 59 -10.315 -7.873 -0.095 1.00 0.00 N ATOM 936 CA HIS A 59 -11.115 -8.979 0.415 1.00 0.00 C ATOM 937 C HIS A 59 -11.589 -9.856 -0.728 1.00 0.00 C ATOM 938 O HIS A 59 -11.773 -9.397 -1.848 1.00 0.00 O ATOM 939 CB HIS A 59 -12.305 -8.481 1.233 1.00 0.00 C ATOM 940 CG HIS A 59 -12.213 -8.846 2.682 1.00 0.00 C ATOM 941 ND1 HIS A 59 -11.767 -10.072 3.125 1.00 0.00 N ATOM 942 CD2 HIS A 59 -12.491 -8.131 3.793 1.00 0.00 C ATOM 943 CE1 HIS A 59 -11.777 -10.090 4.440 1.00 0.00 C ATOM 944 NE2 HIS A 59 -12.209 -8.923 4.877 1.00 0.00 N ATOM 0 H HIS A 59 -10.790 -6.971 -0.126 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.482 -9.570 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.374 -7.397 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.223 -8.895 0.817 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -11.475 -10.845 2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.867 -7.119 3.823 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.480 -10.923 5.060 1.00 0.00 H new ATOM 953 N GLU A 60 -11.765 -11.128 -0.417 1.00 0.00 N ATOM 954 CA GLU A 60 -12.146 -12.145 -1.385 1.00 0.00 C ATOM 955 C GLU A 60 -13.524 -11.862 -1.974 1.00 0.00 C ATOM 956 O GLU A 60 -13.876 -12.385 -3.028 1.00 0.00 O ATOM 957 CB GLU A 60 -12.152 -13.517 -0.708 1.00 0.00 C ATOM 958 CG GLU A 60 -10.928 -13.809 0.161 1.00 0.00 C ATOM 959 CD GLU A 60 -11.050 -13.226 1.557 1.00 0.00 C ATOM 960 OE1 GLU A 60 -10.635 -12.064 1.769 1.00 0.00 O ATOM 961 OE2 GLU A 60 -11.575 -13.921 2.448 1.00 0.00 O ATOM 0 H GLU A 60 -11.646 -11.490 0.529 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.419 -12.131 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.046 -13.598 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.226 -14.286 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.787 -14.887 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.039 -13.403 -0.322 1.00 0.00 H new ATOM 968 N SER A 61 -14.305 -11.057 -1.268 1.00 0.00 N ATOM 969 CA SER A 61 -15.592 -10.591 -1.765 1.00 0.00 C ATOM 970 C SER A 61 -15.390 -9.690 -2.992 1.00 0.00 C ATOM 971 O SER A 61 -16.312 -9.460 -3.772 1.00 0.00 O ATOM 972 CB SER A 61 -16.331 -9.839 -0.649 1.00 0.00 C ATOM 973 OG SER A 61 -17.691 -9.606 -0.979 1.00 0.00 O ATOM 0 H SER A 61 -14.066 -10.710 -0.339 1.00 0.00 H new ATOM 0 HA SER A 61 -16.196 -11.446 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.275 -10.414 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.834 -8.887 -0.462 1.00 0.00 H new ATOM 0 HG SER A 61 -18.128 -9.127 -0.244 1.00 0.00 H new ATOM 979 N PHE A 62 -14.167 -9.194 -3.152 1.00 0.00 N ATOM 980 CA PHE A 62 -13.794 -8.383 -4.298 1.00 0.00 C ATOM 981 C PHE A 62 -13.245 -9.281 -5.402 1.00 0.00 C ATOM 982 O PHE A 62 -12.449 -10.183 -5.130 1.00 0.00 O ATOM 983 CB PHE A 62 -12.720 -7.362 -3.895 1.00 0.00 C ATOM 984 CG PHE A 62 -13.162 -6.351 -2.871 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.445 -6.735 -1.571 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.280 -5.016 -3.209 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.842 -5.805 -0.630 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.678 -4.079 -2.274 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.960 -4.475 -0.982 1.00 0.00 C ATOM 0 H PHE A 62 -13.408 -9.345 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.676 -7.853 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.856 -7.900 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.389 -6.832 -4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.354 -7.774 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -13.058 -4.701 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -14.060 -6.118 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.768 -3.040 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.272 -3.746 -0.248 1.00 0.00 H new ATOM 999 N PRO A 63 -13.673 -9.063 -6.654 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.167 -9.818 -7.805 1.00 0.00 C ATOM 1001 C PRO A 63 -11.680 -9.569 -8.023 1.00 0.00 C ATOM 1002 O PRO A 63 -11.256 -8.418 -8.182 1.00 0.00 O ATOM 1003 CB PRO A 63 -13.976 -9.277 -8.990 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.148 -8.587 -8.382 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.682 -8.072 -7.052 1.00 0.00 C ATOM 0 HA PRO A 63 -13.275 -10.894 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.382 -8.588 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.293 -10.084 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.493 -7.771 -9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.986 -9.274 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.257 -7.072 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.498 -8.014 -6.332 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.900 -10.653 -8.030 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.444 -10.569 -8.123 1.00 0.00 C ATOM 1015 C ARG A 64 -8.896 -9.626 -7.060 1.00 0.00 C ATOM 1016 O ARG A 64 -8.459 -8.529 -7.374 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.010 -10.085 -9.508 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.295 -11.067 -10.629 1.00 0.00 C ATOM 1019 CD ARG A 64 -8.798 -10.534 -11.956 1.00 0.00 C ATOM 1020 NE ARG A 64 -7.357 -10.271 -11.937 1.00 0.00 N ATOM 1021 CZ ARG A 64 -6.704 -9.619 -12.902 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -7.364 -9.134 -13.947 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -5.391 -9.434 -12.808 1.00 0.00 N ATOM 0 H ARG A 64 -11.259 -11.606 -7.972 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.042 -11.569 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.516 -9.145 -9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.941 -9.874 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.814 -12.021 -10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.367 -11.257 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.025 -11.253 -12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.331 -9.615 -12.200 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.820 -10.607 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.374 -9.259 -14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.861 -8.637 -14.682 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.882 -9.790 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.892 -8.936 -13.545 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.900 -10.034 -5.789 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.538 -9.141 -4.692 1.00 0.00 C ATOM 1039 C PRO A 65 -7.064 -8.751 -4.711 1.00 0.00 C ATOM 1040 O PRO A 65 -6.673 -7.732 -4.154 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.874 -9.945 -3.437 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.871 -11.371 -3.864 1.00 0.00 C ATOM 1043 CD PRO A 65 -9.248 -11.385 -5.320 1.00 0.00 C ATOM 0 HA PRO A 65 -9.074 -8.194 -4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.140 -9.770 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.846 -9.658 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.888 -11.818 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.579 -11.953 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.699 -12.152 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.309 -11.594 -5.456 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.255 -9.565 -5.357 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.843 -9.297 -5.483 1.00 0.00 C ATOM 1053 C LYS A 66 -4.560 -8.454 -6.716 1.00 0.00 C ATOM 1054 O LYS A 66 -4.610 -8.941 -7.851 1.00 0.00 O ATOM 1055 CB LYS A 66 -4.052 -10.600 -5.538 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.551 -10.397 -5.691 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.796 -11.697 -5.487 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.456 -11.699 -6.198 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.302 -12.951 -5.940 1.00 0.00 N ATOM 0 H LYS A 66 -6.560 -10.428 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.526 -8.735 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.242 -11.169 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.416 -11.201 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.335 -10.000 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.206 -9.657 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.640 -11.861 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.400 -12.527 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.613 -11.583 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.132 -10.843 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.212 -12.916 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.474 -13.049 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.248 -13.766 -6.278 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.278 -7.186 -6.485 1.00 0.00 N ATOM 1074 CA ARG A 67 -3.926 -6.275 -7.557 1.00 0.00 C ATOM 1075 C ARG A 67 -2.436 -6.016 -7.520 1.00 0.00 C ATOM 1076 O ARG A 67 -1.896 -5.646 -6.481 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.689 -4.956 -7.423 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.175 -5.145 -7.181 1.00 0.00 C ATOM 1079 CD ARG A 67 -6.801 -6.027 -8.248 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.255 -6.083 -8.136 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.095 -5.156 -8.594 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -8.640 -4.061 -9.196 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.402 -5.343 -8.462 1.00 0.00 N ATOM 0 H ARG A 67 -4.286 -6.761 -5.558 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.198 -6.729 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.264 -4.380 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.547 -4.368 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.332 -5.592 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.670 -4.174 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.529 -5.650 -9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.393 -7.035 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.660 -6.895 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.636 -3.923 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.295 -3.360 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.753 -6.189 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.055 -4.641 -8.809 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.768 -6.230 -8.636 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.334 -6.040 -8.687 1.00 0.00 C ATOM 1099 C VAL A 68 -0.010 -4.748 -9.434 1.00 0.00 C ATOM 1100 O VAL A 68 -0.696 -4.381 -10.392 1.00 0.00 O ATOM 1101 CB VAL A 68 0.389 -7.250 -9.339 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.299 -8.565 -8.979 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.491 -7.088 -10.844 1.00 0.00 C ATOM 0 H VAL A 68 -2.192 -6.533 -9.513 1.00 0.00 H new ATOM 0 HA VAL A 68 0.033 -5.965 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 68 1.402 -7.280 -8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.230 -9.393 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.289 -8.697 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.330 -8.545 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.002 -7.952 -11.269 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.509 -7.012 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.054 -6.183 -11.075 1.00 0.00 H new ATOM 1113 N CYS A 69 0.997 -4.036 -8.964 1.00 0.00 N ATOM 1114 CA CYS A 69 1.428 -2.810 -9.606 1.00 0.00 C ATOM 1115 C CYS A 69 2.923 -2.876 -9.905 1.00 0.00 C ATOM 1116 O CYS A 69 3.750 -2.889 -8.998 1.00 0.00 O ATOM 1117 CB CYS A 69 1.096 -1.597 -8.727 1.00 0.00 C ATOM 1118 SG CYS A 69 -0.668 -1.379 -8.407 1.00 0.00 S ATOM 0 H CYS A 69 1.534 -4.288 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 69 0.892 -2.697 -10.549 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.617 -1.698 -7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.481 -0.697 -9.207 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.843 -1.016 -7.171 1.00 0.00 H new ATOM 1124 N LYS A 70 3.256 -2.958 -11.184 1.00 0.00 N ATOM 1125 CA LYS A 70 4.649 -3.035 -11.621 1.00 0.00 C ATOM 1126 C LYS A 70 5.061 -1.699 -12.227 1.00 0.00 C ATOM 1127 O LYS A 70 6.151 -1.550 -12.783 1.00 0.00 O ATOM 1128 CB LYS A 70 4.812 -4.141 -12.673 1.00 0.00 C ATOM 1129 CG LYS A 70 4.100 -5.444 -12.335 1.00 0.00 C ATOM 1130 CD LYS A 70 3.978 -6.328 -13.564 1.00 0.00 C ATOM 1131 CE LYS A 70 3.114 -7.549 -13.299 1.00 0.00 C ATOM 1132 NZ LYS A 70 2.857 -8.319 -14.543 1.00 0.00 N ATOM 0 H LYS A 70 2.578 -2.973 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 70 5.280 -3.264 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.437 -3.774 -13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.874 -4.346 -12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.649 -5.972 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.108 -5.229 -11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.551 -5.752 -14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.971 -6.647 -13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.605 -8.191 -12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.166 -7.236 -12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.264 -9.145 -14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.366 -7.713 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.761 -8.639 -14.946 1.00 0.00 H new ATOM 1146 N ASP A 71 4.167 -0.735 -12.100 1.00 0.00 N ATOM 1147 CA ASP A 71 4.299 0.556 -12.751 1.00 0.00 C ATOM 1148 C ASP A 71 4.571 1.643 -11.712 1.00 0.00 C ATOM 1149 O ASP A 71 4.681 1.331 -10.529 1.00 0.00 O ATOM 1150 CB ASP A 71 2.997 0.850 -13.515 1.00 0.00 C ATOM 1151 CG ASP A 71 2.807 -0.055 -14.717 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.428 0.206 -15.766 1.00 0.00 O ATOM 1153 OD2 ASP A 71 2.039 -1.035 -14.621 1.00 0.00 O ATOM 0 H ASP A 71 3.321 -0.827 -11.537 1.00 0.00 H new ATOM 0 HA ASP A 71 5.137 0.541 -13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.150 0.733 -12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.001 1.889 -13.844 1.00 0.00 H new ATOM 1158 N PRO A 72 4.758 2.916 -12.134 1.00 0.00 N ATOM 1159 CA PRO A 72 4.693 4.093 -11.230 1.00 0.00 C ATOM 1160 C PRO A 72 3.457 4.068 -10.281 1.00 0.00 C ATOM 1161 O PRO A 72 2.763 3.054 -10.236 1.00 0.00 O ATOM 1162 CB PRO A 72 4.640 5.242 -12.236 1.00 0.00 C ATOM 1163 CG PRO A 72 5.484 4.770 -13.357 1.00 0.00 C ATOM 1164 CD PRO A 72 5.155 3.316 -13.507 1.00 0.00 C ATOM 0 HA PRO A 72 5.527 4.153 -10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.619 5.442 -12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.025 6.167 -11.807 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.267 5.320 -14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.543 4.915 -13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.348 3.157 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.012 2.743 -13.861 1.00 0.00 H new ATOM 1172 N PRO A 73 3.115 5.197 -9.568 1.00 0.00 N ATOM 1173 CA PRO A 73 2.239 5.208 -8.387 1.00 0.00 C ATOM 1174 C PRO A 73 1.357 3.978 -8.219 1.00 0.00 C ATOM 1175 O PRO A 73 0.397 3.753 -8.962 1.00 0.00 O ATOM 1176 CB PRO A 73 1.396 6.442 -8.663 1.00 0.00 C ATOM 1177 CG PRO A 73 2.344 7.401 -9.325 1.00 0.00 C ATOM 1178 CD PRO A 73 3.504 6.586 -9.858 1.00 0.00 C ATOM 0 HA PRO A 73 2.810 5.211 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.550 6.209 -9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.988 6.859 -7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.847 7.937 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.694 8.149 -8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.649 6.747 -10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.440 6.851 -9.366 1.00 0.00 H new ATOM 1186 N TYR A 74 1.697 3.212 -7.197 1.00 0.00 N ATOM 1187 CA TYR A 74 1.099 1.917 -6.945 1.00 0.00 C ATOM 1188 C TYR A 74 -0.187 2.094 -6.152 1.00 0.00 C ATOM 1189 O TYR A 74 -0.180 2.678 -5.066 1.00 0.00 O ATOM 1190 CB TYR A 74 2.087 1.053 -6.162 1.00 0.00 C ATOM 1191 CG TYR A 74 3.512 1.071 -6.705 1.00 0.00 C ATOM 1192 CD1 TYR A 74 4.351 2.160 -6.484 1.00 0.00 C ATOM 1193 CD2 TYR A 74 4.020 -0.002 -7.424 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.647 2.176 -6.965 1.00 0.00 C ATOM 1195 CE2 TYR A 74 5.320 0.006 -7.903 1.00 0.00 C ATOM 1196 CZ TYR A 74 6.126 1.099 -7.670 1.00 0.00 C ATOM 1197 OH TYR A 74 7.420 1.113 -8.137 1.00 0.00 O ATOM 0 H TYR A 74 2.405 3.477 -6.512 1.00 0.00 H new ATOM 0 HA TYR A 74 0.864 1.428 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.102 1.390 -5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.726 0.024 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.982 3.008 -5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.390 -0.859 -7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.281 3.032 -6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.700 -0.840 -8.456 1.00 0.00 H new ATOM 0 HH TYR A 74 7.605 0.277 -8.614 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.285 1.603 -6.696 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.595 1.898 -6.151 1.00 0.00 C ATOM 1209 C LYS A 75 -3.628 0.867 -6.578 1.00 0.00 C ATOM 1210 O LYS A 75 -3.392 0.049 -7.469 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.021 3.264 -6.658 1.00 0.00 C ATOM 1212 CG LYS A 75 -2.899 3.361 -8.162 1.00 0.00 C ATOM 1213 CD LYS A 75 -3.495 4.642 -8.706 1.00 0.00 C ATOM 1214 CE LYS A 75 -4.701 5.105 -7.929 1.00 0.00 C ATOM 1215 NZ LYS A 75 -5.496 6.109 -8.687 1.00 0.00 N ATOM 0 H LYS A 75 -1.294 0.997 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.534 1.878 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.052 3.457 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.406 4.034 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.847 3.304 -8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.398 2.507 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.737 5.425 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.776 4.492 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.331 4.248 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.379 5.537 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.096 6.646 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.853 6.761 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.096 5.623 -9.384 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.778 0.952 -5.943 1.00 0.00 N ATOM 1230 CA VAL A 76 -5.933 0.117 -6.265 1.00 0.00 C ATOM 1231 C VAL A 76 -7.210 0.937 -6.143 1.00 0.00 C ATOM 1232 O VAL A 76 -7.394 1.652 -5.161 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.046 -1.115 -5.344 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.430 -1.736 -5.445 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -4.995 -2.150 -5.689 1.00 0.00 C ATOM 0 H VAL A 76 -4.946 1.607 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.795 -0.237 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.881 -0.779 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.488 -2.603 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.180 -1.004 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.615 -2.047 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.097 -3.008 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.128 -2.473 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.003 -1.715 -5.569 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.070 0.849 -7.144 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.365 1.508 -7.101 1.00 0.00 C ATOM 1247 C GLU A 77 -10.467 0.481 -7.194 1.00 0.00 C ATOM 1248 O GLU A 77 -10.559 -0.261 -8.171 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.488 2.522 -8.230 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.494 3.638 -8.105 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.238 4.361 -9.405 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -9.133 5.091 -9.875 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -7.126 4.219 -9.954 1.00 0.00 O ATOM 0 H GLU A 77 -7.893 0.325 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.456 2.040 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.346 2.017 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.496 2.936 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.853 4.353 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.553 3.236 -7.730 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.292 0.436 -6.172 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.358 -0.549 -6.108 1.00 0.00 C ATOM 1262 C GLU A 78 -13.597 0.013 -5.437 1.00 0.00 C ATOM 1263 O GLU A 78 -13.612 1.164 -4.993 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.901 -1.810 -5.367 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.597 -2.983 -6.285 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.664 -3.181 -7.346 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.863 -3.080 -7.014 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -12.308 -3.442 -8.518 1.00 0.00 O ATOM 0 H GLU A 78 -11.249 1.068 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.609 -0.812 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.010 -1.575 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.676 -2.105 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.634 -2.822 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.507 -3.892 -5.690 1.00 0.00 H new ATOM 1275 N SER A 79 -14.629 -0.812 -5.372 1.00 0.00 N ATOM 1276 CA SER A 79 -15.893 -0.419 -4.781 1.00 0.00 C ATOM 1277 C SER A 79 -16.485 -1.586 -3.991 1.00 0.00 C ATOM 1278 O SER A 79 -16.350 -2.749 -4.382 1.00 0.00 O ATOM 1279 CB SER A 79 -16.857 0.056 -5.875 1.00 0.00 C ATOM 1280 OG SER A 79 -18.046 0.606 -5.328 1.00 0.00 O ATOM 0 H SER A 79 -14.613 -1.768 -5.726 1.00 0.00 H new ATOM 0 HA SER A 79 -15.729 0.409 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.363 0.804 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.110 -0.781 -6.525 1.00 0.00 H new ATOM 0 HG SER A 79 -18.174 1.515 -5.671 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.131 -1.259 -2.883 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.673 -2.257 -1.984 1.00 0.00 C ATOM 1288 C GLY A 80 -18.670 -1.633 -1.031 1.00 0.00 C ATOM 1289 O GLY A 80 -19.315 -0.650 -1.380 1.00 0.00 O ATOM 0 H GLY A 80 -17.292 -0.297 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.157 -3.047 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.865 -2.723 -1.420 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.815 -2.179 0.167 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.740 -1.598 1.137 1.00 0.00 C ATOM 1295 C TYR A 81 -19.276 -1.808 2.578 1.00 0.00 C ATOM 1296 O TYR A 81 -20.080 -1.736 3.508 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.156 -2.161 0.939 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.230 -3.675 0.954 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.333 -4.381 2.147 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.194 -4.396 -0.232 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.397 -5.762 2.155 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.257 -5.775 -0.230 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.357 -6.453 0.963 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.415 -7.828 0.964 1.00 0.00 O ATOM 0 H TYR A 81 -18.316 -3.008 0.490 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.758 -0.523 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.804 -1.769 1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.550 -1.798 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.364 -3.842 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.115 -3.869 -1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.478 -6.296 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.228 -6.320 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.377 -8.158 0.042 1.00 0.00 H new ATOM 1314 N ALA A 82 -17.984 -2.045 2.766 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.438 -2.229 4.105 1.00 0.00 C ATOM 1316 C ALA A 82 -15.937 -1.990 4.121 1.00 0.00 C ATOM 1317 O ALA A 82 -15.282 -2.031 3.079 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.732 -3.630 4.618 1.00 0.00 C ATOM 0 H ALA A 82 -17.298 -2.114 2.014 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.918 -1.500 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.316 -3.746 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.810 -3.786 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.281 -4.364 3.950 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.406 -1.742 5.312 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.981 -1.578 5.477 1.00 0.00 C ATOM 1326 C GLY A 83 -13.343 -2.834 6.023 1.00 0.00 C ATOM 1327 O GLY A 83 -14.049 -3.784 6.368 1.00 0.00 O ATOM 0 H GLY A 83 -15.946 -1.651 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.529 -1.325 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.784 -0.745 6.152 1.00 0.00 H new ATOM 1331 N PHE A 84 -12.016 -2.838 6.102 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.258 -4.024 6.504 1.00 0.00 C ATOM 1333 C PHE A 84 -9.759 -3.740 6.464 1.00 0.00 C ATOM 1334 O PHE A 84 -9.317 -2.815 5.786 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.584 -5.214 5.580 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.367 -4.955 4.105 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.276 -4.202 3.378 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.264 -5.479 3.444 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -12.094 -3.970 2.031 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -10.073 -5.251 2.095 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.988 -4.494 1.385 1.00 0.00 C ATOM 0 H PHE A 84 -11.436 -2.026 5.891 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.545 -4.278 7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.972 -6.065 5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.624 -5.500 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.142 -3.790 3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.546 -6.072 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.813 -3.381 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.209 -5.664 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.840 -4.313 0.331 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.984 -4.515 7.215 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.532 -4.468 7.103 1.00 0.00 C ATOM 1353 C ILE A 85 -7.105 -5.016 5.750 1.00 0.00 C ATOM 1354 O ILE A 85 -7.473 -6.134 5.378 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.833 -5.273 8.228 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.898 -4.513 9.552 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.382 -5.575 7.868 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.116 -3.217 9.553 1.00 0.00 C ATOM 0 H ILE A 85 -9.335 -5.180 7.904 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.229 -3.426 7.202 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.362 -6.219 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.941 -4.297 9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.520 -5.155 10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.917 -6.141 8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.349 -6.161 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.841 -4.640 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.211 -2.736 10.526 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.065 -3.426 9.352 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.508 -2.555 8.781 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.351 -4.225 5.011 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.884 -4.639 3.707 1.00 0.00 C ATOM 1372 C LEU A 86 -4.381 -4.863 3.750 1.00 0.00 C ATOM 1373 O LEU A 86 -3.606 -3.913 3.872 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.254 -3.593 2.654 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.464 -4.154 1.247 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.538 -3.375 0.510 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.183 -4.105 0.457 1.00 0.00 C ATOM 0 H LEU A 86 -6.050 -3.292 5.294 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.367 -5.577 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.166 -3.086 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.467 -2.839 2.617 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.783 -5.191 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.670 -3.792 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.478 -3.443 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.239 -2.330 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.355 -4.509 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.844 -3.072 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.421 -4.699 0.962 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.953 -6.131 3.687 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.541 -6.484 3.687 1.00 0.00 C ATOM 1391 C PRO A 87 -1.882 -6.101 2.368 1.00 0.00 C ATOM 1392 O PRO A 87 -2.082 -6.759 1.341 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.528 -8.008 3.880 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.939 -8.395 4.185 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.810 -7.318 3.610 1.00 0.00 C ATOM 0 HA PRO A 87 -1.985 -5.961 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.170 -8.512 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.860 -8.293 4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.179 -9.363 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.093 -8.485 5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.103 -7.540 2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.728 -7.192 4.183 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.129 -5.017 2.393 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.480 -4.510 1.204 1.00 0.00 C ATOM 1405 C ILE A 88 0.983 -4.919 1.185 1.00 0.00 C ATOM 1406 O ILE A 88 1.635 -4.948 2.222 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.581 -2.974 1.132 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.031 -2.539 1.365 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.095 -2.497 -0.224 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.180 -1.105 1.818 1.00 0.00 C ATOM 0 H ILE A 88 -0.952 -4.468 3.234 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.988 -4.937 0.340 1.00 0.00 H new ATOM 0 HB ILE A 88 0.044 -2.530 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.593 -2.677 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.480 -3.193 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.167 -1.411 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.943 -2.799 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.711 -2.938 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.236 -0.876 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.648 -0.963 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.763 -0.439 1.062 1.00 0.00 H new ATOM 1422 N GLU A 89 1.490 -5.236 0.011 1.00 0.00 N ATOM 1423 CA GLU A 89 2.876 -5.640 -0.128 1.00 0.00 C ATOM 1424 C GLU A 89 3.615 -4.745 -1.101 1.00 0.00 C ATOM 1425 O GLU A 89 3.116 -4.441 -2.186 1.00 0.00 O ATOM 1426 CB GLU A 89 2.984 -7.079 -0.617 1.00 0.00 C ATOM 1427 CG GLU A 89 2.586 -8.118 0.411 1.00 0.00 C ATOM 1428 CD GLU A 89 2.824 -9.528 -0.088 1.00 0.00 C ATOM 1429 OE1 GLU A 89 3.995 -9.886 -0.345 1.00 0.00 O ATOM 1430 OE2 GLU A 89 1.841 -10.287 -0.228 1.00 0.00 O ATOM 0 H GLU A 89 0.963 -5.222 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 89 3.328 -5.555 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.356 -7.199 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.011 -7.268 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.153 -7.957 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.532 -7.995 0.662 1.00 0.00 H new ATOM 1437 N VAL A 90 4.803 -4.329 -0.710 1.00 0.00 N ATOM 1438 CA VAL A 90 5.693 -3.644 -1.620 1.00 0.00 C ATOM 1439 C VAL A 90 6.922 -4.504 -1.853 1.00 0.00 C ATOM 1440 O VAL A 90 7.603 -4.898 -0.902 1.00 0.00 O ATOM 1441 CB VAL A 90 6.131 -2.257 -1.134 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.849 -1.561 -2.266 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.931 -1.448 -0.676 1.00 0.00 C ATOM 0 H VAL A 90 5.173 -4.454 0.232 1.00 0.00 H new ATOM 0 HA VAL A 90 5.135 -3.486 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 90 6.802 -2.357 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.169 -0.571 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.721 -2.146 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.176 -1.462 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.262 -0.467 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.235 -1.328 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.433 -1.968 0.142 1.00 0.00 H new ATOM 1453 N TYR A 91 7.181 -4.826 -3.106 1.00 0.00 N ATOM 1454 CA TYR A 91 8.334 -5.646 -3.454 1.00 0.00 C ATOM 1455 C TYR A 91 9.569 -4.781 -3.610 1.00 0.00 C ATOM 1456 O TYR A 91 9.544 -3.748 -4.274 1.00 0.00 O ATOM 1457 CB TYR A 91 8.101 -6.426 -4.745 1.00 0.00 C ATOM 1458 CG TYR A 91 7.314 -7.707 -4.578 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.133 -7.743 -3.849 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.760 -8.886 -5.160 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.421 -8.916 -3.706 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.051 -10.062 -5.023 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.883 -10.071 -4.295 1.00 0.00 C ATOM 1464 OH TYR A 91 5.175 -11.241 -4.150 1.00 0.00 O ATOM 0 H TYR A 91 6.612 -4.535 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 91 8.482 -6.358 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.576 -5.783 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.068 -6.665 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.766 -6.839 -3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.678 -8.883 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.505 -8.928 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.411 -10.970 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 91 5.635 -11.963 -4.627 1.00 0.00 H new ATOM 1474 N PHE A 92 10.644 -5.230 -3.015 1.00 0.00 N ATOM 1475 CA PHE A 92 11.895 -4.497 -3.016 1.00 0.00 C ATOM 1476 C PHE A 92 12.864 -5.120 -4.029 1.00 0.00 C ATOM 1477 O PHE A 92 12.697 -6.280 -4.411 1.00 0.00 O ATOM 1478 CB PHE A 92 12.502 -4.553 -1.613 1.00 0.00 C ATOM 1479 CG PHE A 92 11.719 -3.805 -0.567 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.069 -2.622 -0.881 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.666 -4.264 0.742 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.388 -1.912 0.083 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.974 -3.558 1.709 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.340 -2.382 1.375 1.00 0.00 C ATOM 0 H PHE A 92 10.682 -6.117 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 92 11.714 -3.460 -3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.588 -5.596 -1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.513 -4.148 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.097 -2.252 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.170 -5.181 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.892 -0.988 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.931 -3.928 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.803 -1.827 2.130 1.00 0.00 H new ATOM 1494 N LYS A 93 13.866 -4.361 -4.474 1.00 0.00 N ATOM 1495 CA LYS A 93 14.881 -4.894 -5.375 1.00 0.00 C ATOM 1496 C LYS A 93 16.149 -5.227 -4.603 1.00 0.00 C ATOM 1497 O LYS A 93 17.003 -4.359 -4.400 1.00 0.00 O ATOM 1498 CB LYS A 93 15.220 -3.879 -6.467 1.00 0.00 C ATOM 1499 CG LYS A 93 14.038 -3.459 -7.317 1.00 0.00 C ATOM 1500 CD LYS A 93 14.446 -2.396 -8.324 1.00 0.00 C ATOM 1501 CE LYS A 93 13.436 -2.300 -9.477 1.00 0.00 C ATOM 1502 NZ LYS A 93 12.848 -0.941 -9.602 1.00 0.00 N ATOM 0 H LYS A 93 13.994 -3.380 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 93 14.480 -5.798 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.651 -2.993 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.986 -4.303 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.635 -4.326 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.243 -3.074 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.523 -1.430 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.434 -2.629 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.929 -2.567 -10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.638 -3.025 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.653 -0.738 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.961 -0.895 -9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.518 -0.238 -9.230 1.00 0.00 H new ATOM 1516 N ASN A 94 16.266 -6.470 -4.167 1.00 0.00 N ATOM 1517 CA ASN A 94 17.440 -6.908 -3.431 1.00 0.00 C ATOM 1518 C ASN A 94 17.645 -8.418 -3.558 1.00 0.00 C ATOM 1519 O ASN A 94 16.703 -9.170 -3.820 1.00 0.00 O ATOM 1520 CB ASN A 94 17.329 -6.498 -1.953 1.00 0.00 C ATOM 1521 CG ASN A 94 16.006 -6.876 -1.312 1.00 0.00 C ATOM 1522 OD1 ASN A 94 15.353 -7.828 -1.718 1.00 0.00 O ATOM 1523 ND2 ASN A 94 15.600 -6.121 -0.302 1.00 0.00 N ATOM 0 H ASN A 94 15.562 -7.194 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 94 18.311 -6.418 -3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.140 -6.965 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.466 -5.420 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.716 -6.325 0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.171 -5.335 0.009 1.00 0.00 H new ATOM 1530 N LYS A 95 18.893 -8.847 -3.419 1.00 0.00 N ATOM 1531 CA LYS A 95 19.228 -10.267 -3.348 1.00 0.00 C ATOM 1532 C LYS A 95 19.545 -10.621 -1.903 1.00 0.00 C ATOM 1533 O LYS A 95 19.810 -11.772 -1.557 1.00 0.00 O ATOM 1534 CB LYS A 95 20.426 -10.586 -4.241 1.00 0.00 C ATOM 1535 CG LYS A 95 20.169 -10.361 -5.722 1.00 0.00 C ATOM 1536 CD LYS A 95 21.404 -10.684 -6.552 1.00 0.00 C ATOM 1537 CE LYS A 95 21.135 -10.584 -8.049 1.00 0.00 C ATOM 1538 NZ LYS A 95 20.685 -9.224 -8.454 1.00 0.00 N ATOM 0 H LYS A 95 19.699 -8.226 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 95 18.381 -10.856 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.271 -9.971 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 95 20.715 -11.626 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.336 -10.984 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.876 -9.324 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.209 -10.000 -6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.747 -11.691 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 95 22.041 -10.842 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.375 -11.314 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 20.613 -9.177 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.755 -9.026 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 21.373 -8.518 -8.122 1.00 0.00 H new ATOM 1552 N GLU A 96 19.496 -9.592 -1.082 1.00 0.00 N ATOM 1553 CA GLU A 96 19.788 -9.660 0.337 1.00 0.00 C ATOM 1554 C GLU A 96 18.479 -9.690 1.124 1.00 0.00 C ATOM 1555 O GLU A 96 17.523 -10.329 0.681 1.00 0.00 O ATOM 1556 CB GLU A 96 20.694 -8.478 0.771 1.00 0.00 C ATOM 1557 CG GLU A 96 20.240 -7.104 0.285 1.00 0.00 C ATOM 1558 CD GLU A 96 20.614 -6.819 -1.162 1.00 0.00 C ATOM 1559 OE1 GLU A 96 21.241 -7.682 -1.809 1.00 0.00 O ATOM 1560 OE2 GLU A 96 20.285 -5.728 -1.661 1.00 0.00 O ATOM 0 H GLU A 96 19.244 -8.654 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 96 20.339 -10.576 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.748 -8.462 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.704 -8.661 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 96 19.158 -7.028 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 96 20.680 -6.338 0.923 1.00 0.00 H new ATOM 1567 N GLU A 97 18.502 -9.117 2.335 1.00 0.00 N ATOM 1568 CA GLU A 97 17.335 -9.021 3.243 1.00 0.00 C ATOM 1569 C GLU A 97 15.971 -8.943 2.526 1.00 0.00 C ATOM 1570 O GLU A 97 15.900 -8.559 1.363 1.00 0.00 O ATOM 1571 CB GLU A 97 17.475 -7.788 4.136 1.00 0.00 C ATOM 1572 CG GLU A 97 18.681 -7.816 5.063 1.00 0.00 C ATOM 1573 CD GLU A 97 18.675 -9.002 6.002 1.00 0.00 C ATOM 1574 OE1 GLU A 97 19.223 -10.063 5.636 1.00 0.00 O ATOM 1575 OE2 GLU A 97 18.127 -8.875 7.115 1.00 0.00 O ATOM 0 H GLU A 97 19.346 -8.697 2.725 1.00 0.00 H new ATOM 0 HA GLU A 97 17.341 -9.946 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.539 -6.902 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.572 -7.686 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.592 -7.837 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.705 -6.896 5.648 1.00 0.00 H new ATOM 1582 N PRO A 98 14.864 -9.234 3.257 1.00 0.00 N ATOM 1583 CA PRO A 98 13.522 -9.449 2.693 1.00 0.00 C ATOM 1584 C PRO A 98 13.192 -8.582 1.475 1.00 0.00 C ATOM 1585 O PRO A 98 13.316 -7.353 1.508 1.00 0.00 O ATOM 1586 CB PRO A 98 12.577 -9.115 3.867 1.00 0.00 C ATOM 1587 CG PRO A 98 13.467 -8.704 4.993 1.00 0.00 C ATOM 1588 CD PRO A 98 14.801 -9.332 4.714 1.00 0.00 C ATOM 0 HA PRO A 98 13.430 -10.466 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.887 -8.314 3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.971 -9.979 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.550 -7.619 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.068 -9.043 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.617 -8.796 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.850 -10.365 5.059 1.00 0.00 H new ATOM 1596 N ARG A 99 12.741 -9.242 0.410 1.00 0.00 N ATOM 1597 CA ARG A 99 12.461 -8.584 -0.861 1.00 0.00 C ATOM 1598 C ARG A 99 11.035 -8.076 -0.899 1.00 0.00 C ATOM 1599 O ARG A 99 10.517 -7.706 -1.952 1.00 0.00 O ATOM 1600 CB ARG A 99 12.668 -9.562 -2.009 1.00 0.00 C ATOM 1601 CG ARG A 99 13.909 -10.407 -1.840 1.00 0.00 C ATOM 1602 CD ARG A 99 14.274 -11.141 -3.121 1.00 0.00 C ATOM 1603 NE ARG A 99 13.141 -11.879 -3.676 1.00 0.00 N ATOM 1604 CZ ARG A 99 12.530 -11.562 -4.816 1.00 0.00 C ATOM 1605 NH1 ARG A 99 12.929 -10.508 -5.518 1.00 0.00 N ATOM 1606 NH2 ARG A 99 11.519 -12.298 -5.249 1.00 0.00 N ATOM 0 H ARG A 99 12.560 -10.246 0.405 1.00 0.00 H new ATOM 0 HA ARG A 99 13.144 -7.741 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.798 -10.214 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.736 -9.008 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.741 -9.773 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.750 -11.130 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.635 -10.424 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.093 -11.832 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 99 12.797 -12.687 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.706 -9.938 -5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.458 -10.269 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.209 -13.106 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.050 -12.057 -6.122 1.00 0.00 H new ATOM 1620 N LYS A 100 10.400 -8.087 0.250 1.00 0.00 N ATOM 1621 CA LYS A 100 9.025 -7.631 0.361 1.00 0.00 C ATOM 1622 C LYS A 100 8.762 -7.059 1.740 1.00 0.00 C ATOM 1623 O LYS A 100 9.390 -7.460 2.724 1.00 0.00 O ATOM 1624 CB LYS A 100 8.037 -8.773 0.093 1.00 0.00 C ATOM 1625 CG LYS A 100 8.198 -9.948 1.048 1.00 0.00 C ATOM 1626 CD LYS A 100 6.949 -10.823 1.131 1.00 0.00 C ATOM 1627 CE LYS A 100 6.775 -11.736 -0.078 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.293 -11.007 -1.277 1.00 0.00 N ATOM 0 H LYS A 100 10.811 -8.407 1.127 1.00 0.00 H new ATOM 0 HA LYS A 100 8.878 -6.854 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.020 -8.389 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.169 -9.125 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.042 -10.558 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.438 -9.571 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.999 -11.432 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.071 -10.184 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.727 -12.216 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.069 -12.529 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.798 -11.668 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.639 -10.253 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.103 -10.589 -1.778 1.00 0.00 H new ATOM 1642 N VAL A 101 7.853 -6.111 1.795 1.00 0.00 N ATOM 1643 CA VAL A 101 7.361 -5.585 3.047 1.00 0.00 C ATOM 1644 C VAL A 101 5.834 -5.604 3.024 1.00 0.00 C ATOM 1645 O VAL A 101 5.224 -5.307 1.994 1.00 0.00 O ATOM 1646 CB VAL A 101 7.888 -4.154 3.286 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.350 -3.183 2.241 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.567 -3.688 4.695 1.00 0.00 C ATOM 0 H VAL A 101 7.434 -5.683 0.970 1.00 0.00 H new ATOM 0 HA VAL A 101 7.720 -6.206 3.868 1.00 0.00 H new ATOM 0 HB VAL A 101 8.973 -4.174 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.740 -2.184 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.664 -3.506 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.261 -3.163 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.948 -2.677 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.487 -3.693 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.035 -4.359 5.416 1.00 0.00 H new ATOM 1658 N ARG A 102 5.216 -5.980 4.133 1.00 0.00 N ATOM 1659 CA ARG A 102 3.769 -6.102 4.171 1.00 0.00 C ATOM 1660 C ARG A 102 3.180 -5.097 5.145 1.00 0.00 C ATOM 1661 O ARG A 102 3.417 -5.168 6.353 1.00 0.00 O ATOM 1662 CB ARG A 102 3.345 -7.513 4.572 1.00 0.00 C ATOM 1663 CG ARG A 102 1.928 -7.864 4.107 1.00 0.00 C ATOM 1664 CD ARG A 102 1.349 -9.047 4.852 1.00 0.00 C ATOM 1665 NE ARG A 102 1.001 -8.710 6.230 1.00 0.00 N ATOM 1666 CZ ARG A 102 0.976 -9.584 7.231 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.342 -10.847 7.039 1.00 0.00 N ATOM 1668 NH2 ARG A 102 0.592 -9.186 8.432 1.00 0.00 N ATOM 0 H ARG A 102 5.688 -6.204 5.009 1.00 0.00 H new ATOM 0 HA ARG A 102 3.392 -5.899 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.048 -8.232 4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.401 -7.609 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.279 -6.999 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.944 -8.083 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.461 -9.404 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.070 -9.865 4.850 1.00 0.00 H new ATOM 0 HE ARG A 102 0.762 -7.741 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.646 -11.155 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.319 -11.508 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.318 -8.215 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.570 -9.850 9.206 1.00 0.00 H new ATOM 1682 N PHE A 103 2.417 -4.166 4.613 1.00 0.00 N ATOM 1683 CA PHE A 103 1.795 -3.134 5.412 1.00 0.00 C ATOM 1684 C PHE A 103 0.304 -3.418 5.564 1.00 0.00 C ATOM 1685 O PHE A 103 -0.447 -3.376 4.590 1.00 0.00 O ATOM 1686 CB PHE A 103 2.013 -1.770 4.756 1.00 0.00 C ATOM 1687 CG PHE A 103 3.459 -1.374 4.627 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.345 -1.543 5.682 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.925 -0.806 3.452 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.666 -1.152 5.562 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.242 -0.420 3.329 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.113 -0.590 4.385 1.00 0.00 C ATOM 0 H PHE A 103 2.211 -4.104 3.616 1.00 0.00 H new ATOM 0 HA PHE A 103 2.250 -3.125 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.560 -1.779 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.490 -1.011 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.999 -1.984 6.605 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.248 -0.664 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.347 -1.287 6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.593 0.016 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.144 -0.283 4.290 1.00 0.00 H new ATOM 1702 N ASP A 104 -0.114 -3.729 6.781 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.522 -3.985 7.063 1.00 0.00 C ATOM 1704 C ASP A 104 -2.244 -2.666 7.270 1.00 0.00 C ATOM 1705 O ASP A 104 -2.373 -2.185 8.399 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.691 -4.872 8.304 1.00 0.00 C ATOM 1707 CG ASP A 104 -1.132 -6.269 8.122 1.00 0.00 C ATOM 1708 OD1 ASP A 104 -1.862 -7.144 7.617 1.00 0.00 O ATOM 1709 OD2 ASP A 104 0.033 -6.509 8.512 1.00 0.00 O ATOM 0 H ASP A 104 0.500 -3.811 7.591 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.952 -4.513 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.196 -4.398 9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.750 -4.941 8.551 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.702 -2.077 6.179 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.327 -0.768 6.227 1.00 0.00 C ATOM 1716 C TYR A 105 -4.826 -0.901 6.478 1.00 0.00 C ATOM 1717 O TYR A 105 -5.503 -1.710 5.841 1.00 0.00 O ATOM 1718 CB TYR A 105 -3.050 -0.017 4.921 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.690 1.347 4.843 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.277 2.391 5.662 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.705 1.589 3.938 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.864 3.640 5.570 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.297 2.825 3.842 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.874 3.851 4.658 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.457 5.098 4.552 1.00 0.00 O ATOM 0 H TYR A 105 -2.652 -2.487 5.246 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.902 -0.197 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.972 0.092 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.405 -0.621 4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.487 2.225 6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.040 0.790 3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.532 4.445 6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.091 2.992 3.129 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.194 5.061 3.907 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.332 -0.120 7.422 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.742 -0.173 7.782 1.00 0.00 C ATOM 1737 C ASP A 106 -7.580 0.606 6.775 1.00 0.00 C ATOM 1738 O ASP A 106 -7.502 1.837 6.700 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.953 0.391 9.192 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.365 0.177 9.714 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -9.296 0.874 9.262 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -8.552 -0.684 10.601 1.00 0.00 O ATOM 0 H ASP A 106 -4.786 0.559 7.953 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.062 -1.215 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.245 -0.078 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.732 1.458 9.187 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.362 -0.112 5.984 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.238 0.512 5.014 1.00 0.00 C ATOM 1749 C LEU A 107 -10.541 0.942 5.677 1.00 0.00 C ATOM 1750 O LEU A 107 -11.469 0.146 5.807 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.547 -0.458 3.877 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.970 -0.088 2.514 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.460 -0.207 2.514 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.574 -0.969 1.447 1.00 0.00 C ATOM 0 H LEU A 107 -8.405 -1.131 5.998 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.732 1.389 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.173 -1.444 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.629 -0.543 3.781 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.221 0.951 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.074 0.062 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.042 0.464 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.176 -1.233 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.159 -0.701 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.345 -2.012 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.655 -0.831 1.430 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.613 2.190 6.113 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.841 2.692 6.717 1.00 0.00 C ATOM 1768 C PHE A 108 -12.629 3.524 5.713 1.00 0.00 C ATOM 1769 O PHE A 108 -12.059 4.277 4.928 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.568 3.505 7.997 1.00 0.00 C ATOM 1771 CG PHE A 108 -10.732 4.747 7.808 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.320 5.942 7.419 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.365 4.727 8.041 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -10.563 7.087 7.260 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -8.606 5.872 7.887 1.00 0.00 C ATOM 1776 CZ PHE A 108 -9.205 7.051 7.495 1.00 0.00 C ATOM 0 H PHE A 108 -9.850 2.866 6.062 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.437 1.826 7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.524 3.794 8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.069 2.858 8.719 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.384 5.978 7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.888 3.807 8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.034 8.009 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.543 5.843 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.611 7.945 7.372 1.00 0.00 H new ATOM 1786 N LEU A 109 -13.937 3.363 5.719 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.808 4.131 4.845 1.00 0.00 C ATOM 1788 C LEU A 109 -15.762 4.944 5.717 1.00 0.00 C ATOM 1789 O LEU A 109 -16.016 4.563 6.857 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.586 3.187 3.919 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.740 2.120 3.209 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.601 1.262 2.299 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.612 2.759 2.414 1.00 0.00 C ATOM 0 H LEU A 109 -14.425 2.702 6.324 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.222 4.804 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.358 2.686 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.096 3.785 3.164 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.303 1.481 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.978 0.514 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.370 0.763 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.074 1.892 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.028 1.981 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.030 3.429 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.968 3.325 3.087 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.270 6.061 5.212 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.121 6.929 6.027 1.00 0.00 C ATOM 1807 C HIS A 110 -18.599 6.700 5.707 1.00 0.00 C ATOM 1808 O HIS A 110 -18.936 6.169 4.648 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.747 8.400 5.818 1.00 0.00 C ATOM 1810 CG HIS A 110 -16.968 9.255 7.033 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -18.081 10.049 7.211 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -16.202 9.437 8.136 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -17.990 10.678 8.368 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -16.863 10.323 8.947 1.00 0.00 N ATOM 0 H HIS A 110 -16.113 6.387 4.258 1.00 0.00 H new ATOM 0 HA HIS A 110 -16.958 6.677 7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -15.699 8.462 5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.332 8.801 4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.249 8.971 8.338 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -18.717 11.367 8.771 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -16.534 10.654 9.854 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.466 7.103 6.634 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.908 6.874 6.520 1.00 0.00 C ATOM 1825 C LEU A 111 -21.533 7.574 5.313 1.00 0.00 C ATOM 1826 O LEU A 111 -21.141 8.687 4.927 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.615 7.325 7.798 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.156 6.184 8.665 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.284 5.456 7.953 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.049 5.209 9.005 1.00 0.00 C ATOM 0 H LEU A 111 -19.191 7.596 7.484 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.042 5.802 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.919 7.917 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.442 7.982 7.528 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.546 6.615 9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.654 4.650 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.094 6.155 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -22.914 5.041 7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.450 4.404 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.637 4.792 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.262 5.728 9.552 1.00 0.00 H new ATOM 1910 N VAL A 117 -12.918 10.885 3.072 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.825 10.004 3.437 1.00 0.00 C ATOM 1912 C VAL A 117 -10.613 10.216 2.546 1.00 0.00 C ATOM 1913 O VAL A 117 -10.653 9.949 1.347 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.242 8.523 3.411 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -11.034 7.626 3.603 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.286 8.238 4.479 1.00 0.00 C ATOM 0 HA VAL A 117 -11.554 10.262 4.461 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.681 8.311 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.349 6.583 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.317 7.805 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.567 7.845 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.566 7.185 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.874 8.470 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.167 8.854 4.300 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.553 10.728 3.146 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.272 10.883 2.475 1.00 0.00 C ATOM 1928 C ASN A 118 -7.158 10.672 3.494 1.00 0.00 C ATOM 1929 O ASN A 118 -6.838 11.582 4.260 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.153 12.275 1.848 1.00 0.00 C ATOM 1931 CG ASN A 118 -6.985 12.388 0.876 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.172 12.315 -0.335 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.769 12.536 1.383 1.00 0.00 N ATOM 0 H ASN A 118 -9.555 11.049 4.114 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.192 10.146 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.079 12.513 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.034 13.016 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.961 12.592 0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.641 12.594 2.393 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.585 9.479 3.532 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.584 9.168 4.545 1.00 0.00 C ATOM 1942 C HIS A 119 -4.293 8.665 3.917 1.00 0.00 C ATOM 1943 O HIS A 119 -4.311 7.815 3.029 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.117 8.118 5.517 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.324 8.000 6.784 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.996 6.791 7.359 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.799 8.952 7.593 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.304 7.007 8.462 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.171 8.309 8.629 1.00 0.00 N ATOM 0 H HIS A 119 -6.791 8.719 2.884 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.370 10.090 5.085 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.149 8.361 5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.130 7.149 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.863 10.020 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.912 6.245 9.119 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.682 8.762 9.401 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.188 9.195 4.408 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.852 8.782 3.994 1.00 0.00 C ATOM 1960 C LEU A 120 -0.923 8.740 5.204 1.00 0.00 C ATOM 1961 O LEU A 120 -0.862 9.693 5.981 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.294 9.736 2.927 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.633 9.373 1.484 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.300 10.528 0.562 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.850 8.145 1.060 1.00 0.00 C ATOM 0 H LEU A 120 -3.189 9.932 5.113 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.916 7.785 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.669 10.739 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.209 9.774 3.029 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.700 9.161 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.546 10.257 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.878 11.405 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.236 10.754 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.098 7.893 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.218 8.350 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.106 7.308 1.710 1.00 0.00 H new ATOM 1977 N ARG A 121 -0.229 7.626 5.373 1.00 0.00 N ATOM 1978 CA ARG A 121 0.703 7.452 6.483 1.00 0.00 C ATOM 1979 C ARG A 121 2.020 6.890 5.974 1.00 0.00 C ATOM 1980 O ARG A 121 2.049 6.176 4.974 1.00 0.00 O ATOM 1981 CB ARG A 121 0.097 6.550 7.571 1.00 0.00 C ATOM 1982 CG ARG A 121 -0.550 5.273 7.047 1.00 0.00 C ATOM 1983 CD ARG A 121 0.453 4.156 6.775 1.00 0.00 C ATOM 1984 NE ARG A 121 1.069 3.630 7.990 1.00 0.00 N ATOM 1985 CZ ARG A 121 0.530 2.671 8.744 1.00 0.00 C ATOM 1986 NH1 ARG A 121 -0.699 2.234 8.500 1.00 0.00 N ATOM 1987 NH2 ARG A 121 1.222 2.161 9.752 1.00 0.00 N ATOM 0 H ARG A 121 -0.293 6.820 4.751 1.00 0.00 H new ATOM 0 HA ARG A 121 0.896 8.425 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.880 6.281 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.650 7.120 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.286 4.923 7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.090 5.499 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.050 3.344 6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.233 4.530 6.112 1.00 0.00 H new ATOM 0 HE ARG A 121 1.966 4.020 8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.238 2.632 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.104 1.500 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.163 2.502 9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.814 1.427 10.331 1.00 0.00 H new ATOM 2001 N CYS A 122 3.101 7.197 6.664 1.00 0.00 N ATOM 2002 CA CYS A 122 4.422 6.870 6.165 1.00 0.00 C ATOM 2003 C CYS A 122 5.135 5.862 7.063 1.00 0.00 C ATOM 2004 O CYS A 122 5.226 6.045 8.278 1.00 0.00 O ATOM 2005 CB CYS A 122 5.246 8.141 6.043 1.00 0.00 C ATOM 2006 SG CYS A 122 4.413 9.488 5.165 1.00 0.00 S ATOM 0 H CYS A 122 3.091 7.670 7.568 1.00 0.00 H new ATOM 0 HA CYS A 122 4.309 6.408 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 122 5.512 8.485 7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 122 6.177 7.908 5.527 1.00 0.00 H new ATOM 0 HG CYS A 122 4.088 9.092 3.970 1.00 0.00 H new ATOM 2012 N GLU A 123 5.644 4.808 6.443 1.00 0.00 N ATOM 2013 CA GLU A 123 6.393 3.769 7.129 1.00 0.00 C ATOM 2014 C GLU A 123 7.887 3.960 6.897 1.00 0.00 C ATOM 2015 O GLU A 123 8.295 4.605 5.931 1.00 0.00 O ATOM 2016 CB GLU A 123 5.962 2.389 6.632 1.00 0.00 C ATOM 2017 CG GLU A 123 4.568 1.975 7.088 1.00 0.00 C ATOM 2018 CD GLU A 123 4.321 2.321 8.543 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.829 1.593 9.424 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.631 3.323 8.820 1.00 0.00 O ATOM 0 H GLU A 123 5.547 4.650 5.440 1.00 0.00 H new ATOM 0 HA GLU A 123 6.187 3.839 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.995 2.380 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.682 1.648 6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.821 2.469 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.443 0.902 6.944 1.00 0.00 H new ATOM 2027 N LYS A 124 8.694 3.387 7.774 1.00 0.00 N ATOM 2028 CA LYS A 124 10.133 3.563 7.729 1.00 0.00 C ATOM 2029 C LYS A 124 10.833 2.211 7.727 1.00 0.00 C ATOM 2030 O LYS A 124 10.546 1.355 8.564 1.00 0.00 O ATOM 2031 CB LYS A 124 10.580 4.374 8.942 1.00 0.00 C ATOM 2032 CG LYS A 124 12.084 4.562 9.036 1.00 0.00 C ATOM 2033 CD LYS A 124 12.503 4.947 10.429 1.00 0.00 C ATOM 2034 CE LYS A 124 12.318 3.773 11.365 1.00 0.00 C ATOM 2035 NZ LYS A 124 13.038 3.953 12.653 1.00 0.00 N ATOM 0 H LYS A 124 8.370 2.789 8.534 1.00 0.00 H new ATOM 0 HA LYS A 124 10.399 4.093 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.103 5.353 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.228 3.879 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.586 3.639 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.401 5.333 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.546 5.263 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.912 5.795 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.255 3.634 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.673 2.865 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.880 3.122 13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.056 4.059 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.683 4.804 13.133 1.00 0.00 H new ATOM 2049 N LEU A 125 11.728 2.008 6.774 1.00 0.00 N ATOM 2050 CA LEU A 125 12.520 0.790 6.733 1.00 0.00 C ATOM 2051 C LEU A 125 14.005 1.140 6.776 1.00 0.00 C ATOM 2052 O LEU A 125 14.566 1.611 5.787 1.00 0.00 O ATOM 2053 CB LEU A 125 12.201 0.006 5.459 1.00 0.00 C ATOM 2054 CG LEU A 125 10.706 -0.178 5.161 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.440 -0.114 3.666 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.208 -1.503 5.722 1.00 0.00 C ATOM 0 H LEU A 125 11.924 2.668 6.021 1.00 0.00 H new ATOM 0 HA LEU A 125 12.276 0.173 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.664 0.515 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.664 -0.978 5.532 1.00 0.00 H new ATOM 0 HG LEU A 125 10.165 0.635 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.374 -0.247 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.757 0.855 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.997 -0.904 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.147 -1.616 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.763 -2.323 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.358 -1.520 6.802 1.00 0.00 H new ATOM 2068 N THR A 126 14.629 0.938 7.928 1.00 0.00 N ATOM 2069 CA THR A 126 16.044 1.235 8.093 1.00 0.00 C ATOM 2070 C THR A 126 16.879 -0.016 7.858 1.00 0.00 C ATOM 2071 O THR A 126 16.702 -1.027 8.541 1.00 0.00 O ATOM 2072 CB THR A 126 16.345 1.770 9.503 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.256 2.585 9.958 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.614 2.595 9.494 1.00 0.00 C ATOM 0 H THR A 126 14.176 0.569 8.764 1.00 0.00 H new ATOM 0 HA THR A 126 16.301 2.000 7.361 1.00 0.00 H new ATOM 0 HB THR A 126 16.474 0.921 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.453 2.921 10.857 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.814 2.967 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.448 1.976 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.495 3.437 8.813 1.00 0.00 H new ATOM 2082 N PHE A 127 17.771 0.046 6.888 1.00 0.00 N ATOM 2083 CA PHE A 127 18.636 -1.080 6.582 1.00 0.00 C ATOM 2084 C PHE A 127 20.052 -0.802 7.053 1.00 0.00 C ATOM 2085 O PHE A 127 20.766 0.019 6.472 1.00 0.00 O ATOM 2086 CB PHE A 127 18.605 -1.384 5.085 1.00 0.00 C ATOM 2087 CG PHE A 127 17.219 -1.670 4.591 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.701 -2.954 4.634 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.422 -0.646 4.109 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.415 -3.209 4.206 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.140 -0.895 3.676 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.632 -2.177 3.725 1.00 0.00 C ATOM 0 H PHE A 127 17.917 0.865 6.297 1.00 0.00 H new ATOM 0 HA PHE A 127 18.269 -1.959 7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 127 19.016 -0.537 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.246 -2.240 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.311 -3.764 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.811 0.361 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.021 -4.214 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.531 -0.087 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.625 -2.373 3.388 1.00 0.00 H new ATOM 2102 N ASN A 128 20.434 -1.474 8.127 1.00 0.00 N ATOM 2103 CA ASN A 128 21.749 -1.306 8.721 1.00 0.00 C ATOM 2104 C ASN A 128 22.813 -2.018 7.896 1.00 0.00 C ATOM 2105 O ASN A 128 22.755 -3.236 7.710 1.00 0.00 O ATOM 2106 CB ASN A 128 21.759 -1.833 10.155 1.00 0.00 C ATOM 2107 CG ASN A 128 20.934 -0.976 11.100 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.451 -0.045 11.718 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.651 -1.280 11.223 1.00 0.00 N ATOM 0 H ASN A 128 19.842 -2.150 8.610 1.00 0.00 H new ATOM 0 HA ASN A 128 21.979 -0.241 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.374 -2.853 10.166 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.787 -1.877 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.055 -0.735 11.846 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.258 -2.059 10.694 1.00 0.00 H new ATOM 2116 N ASN A 129 23.763 -1.233 7.391 1.00 0.00 N ATOM 2117 CA ASN A 129 24.914 -1.740 6.639 1.00 0.00 C ATOM 2118 C ASN A 129 24.486 -2.631 5.472 1.00 0.00 C ATOM 2119 O ASN A 129 24.733 -3.842 5.480 1.00 0.00 O ATOM 2120 CB ASN A 129 25.873 -2.504 7.562 1.00 0.00 C ATOM 2121 CG ASN A 129 26.225 -1.722 8.814 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.125 -0.881 8.806 1.00 0.00 O ATOM 2123 ND2 ASN A 129 25.540 -2.021 9.908 1.00 0.00 N ATOM 0 H ASN A 129 23.757 -0.218 7.492 1.00 0.00 H new ATOM 0 HA ASN A 129 25.433 -0.875 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.419 -3.453 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.787 -2.739 7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 129 25.751 -1.548 10.787 1.00 0.00 H new ATOM 0 HD22 ASN A 129 24.802 -2.724 9.871 1.00 0.00 H new ATOM 2130 N PRO A 130 23.841 -2.047 4.448 1.00 0.00 N ATOM 2131 CA PRO A 130 23.403 -2.784 3.273 1.00 0.00 C ATOM 2132 C PRO A 130 24.491 -2.844 2.204 1.00 0.00 C ATOM 2133 O PRO A 130 25.367 -1.978 2.153 1.00 0.00 O ATOM 2134 CB PRO A 130 22.213 -1.960 2.790 1.00 0.00 C ATOM 2135 CG PRO A 130 22.520 -0.553 3.193 1.00 0.00 C ATOM 2136 CD PRO A 130 23.498 -0.618 4.345 1.00 0.00 C ATOM 0 HA PRO A 130 23.161 -3.825 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.090 -2.042 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.284 -2.306 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.947 0.002 2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.610 -0.031 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.381 -0.009 4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 130 23.051 -0.248 5.268 1.00 0.00 H new ATOM 2144 N THR A 131 24.434 -3.869 1.364 1.00 0.00 N ATOM 2145 CA THR A 131 25.396 -4.029 0.279 1.00 0.00 C ATOM 2146 C THR A 131 25.291 -2.864 -0.706 1.00 0.00 C ATOM 2147 O THR A 131 24.257 -2.187 -0.749 1.00 0.00 O ATOM 2148 CB THR A 131 25.197 -5.371 -0.467 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.073 -5.453 -1.601 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.754 -5.535 -0.917 1.00 0.00 C ATOM 0 H THR A 131 23.730 -4.605 1.413 1.00 0.00 H new ATOM 0 HA THR A 131 26.391 -4.034 0.723 1.00 0.00 H new ATOM 0 HB THR A 131 25.438 -6.177 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 131 25.935 -6.308 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.641 -6.486 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.097 -5.518 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.487 -4.719 -1.589 1.00 0.00 H new ATOM 2158 N GLU A 132 26.346 -2.633 -1.490 1.00 0.00 N ATOM 2159 CA GLU A 132 26.425 -1.445 -2.339 1.00 0.00 C ATOM 2160 C GLU A 132 25.208 -1.339 -3.248 1.00 0.00 C ATOM 2161 O GLU A 132 24.594 -0.286 -3.324 1.00 0.00 O ATOM 2162 CB GLU A 132 27.695 -1.434 -3.191 1.00 0.00 C ATOM 2163 CG GLU A 132 27.986 -0.069 -3.792 1.00 0.00 C ATOM 2164 CD GLU A 132 28.464 0.918 -2.752 1.00 0.00 C ATOM 2165 OE1 GLU A 132 27.619 1.510 -2.051 1.00 0.00 O ATOM 2166 OE2 GLU A 132 29.691 1.110 -2.628 1.00 0.00 O ATOM 0 H GLU A 132 27.155 -3.251 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 132 26.452 -0.586 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.541 -1.745 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.596 -2.166 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.742 -0.170 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.085 0.316 -4.270 1.00 0.00 H new ATOM 2173 N ASP A 133 24.846 -2.442 -3.910 1.00 0.00 N ATOM 2174 CA ASP A 133 23.696 -2.454 -4.828 1.00 0.00 C ATOM 2175 C ASP A 133 22.448 -1.903 -4.149 1.00 0.00 C ATOM 2176 O ASP A 133 21.680 -1.136 -4.742 1.00 0.00 O ATOM 2177 CB ASP A 133 23.391 -3.872 -5.326 1.00 0.00 C ATOM 2178 CG ASP A 133 24.394 -4.379 -6.337 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.411 -4.971 -5.926 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.163 -4.201 -7.552 1.00 0.00 O ATOM 0 H ASP A 133 25.329 -3.337 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 133 23.965 -1.823 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.369 -4.552 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.397 -3.887 -5.772 1.00 0.00 H new ATOM 2185 N PHE A 134 22.249 -2.290 -2.898 1.00 0.00 N ATOM 2186 CA PHE A 134 21.077 -1.865 -2.163 1.00 0.00 C ATOM 2187 C PHE A 134 21.219 -0.407 -1.760 1.00 0.00 C ATOM 2188 O PHE A 134 20.372 0.419 -2.097 1.00 0.00 O ATOM 2189 CB PHE A 134 20.851 -2.731 -0.927 1.00 0.00 C ATOM 2190 CG PHE A 134 19.419 -2.693 -0.488 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.404 -2.682 -1.434 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.082 -2.647 0.852 1.00 0.00 C ATOM 2193 CE1 PHE A 134 17.088 -2.623 -1.053 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.759 -2.592 1.239 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.762 -2.578 0.282 1.00 0.00 C ATOM 0 H PHE A 134 22.883 -2.895 -2.376 1.00 0.00 H new ATOM 0 HA PHE A 134 20.210 -1.978 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.140 -3.760 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.491 -2.384 -0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.654 -2.720 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.860 -2.654 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.309 -2.612 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.503 -2.560 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.726 -2.532 0.583 1.00 0.00 H new ATOM 2205 N ARG A 135 22.308 -0.114 -1.052 1.00 0.00 N ATOM 2206 CA ARG A 135 22.684 1.250 -0.684 1.00 0.00 C ATOM 2207 C ARG A 135 22.512 2.201 -1.862 1.00 0.00 C ATOM 2208 O ARG A 135 21.832 3.215 -1.765 1.00 0.00 O ATOM 2209 CB ARG A 135 24.126 1.235 -0.202 1.00 0.00 C ATOM 2210 CG ARG A 135 24.798 2.618 -0.214 1.00 0.00 C ATOM 2211 CD ARG A 135 25.017 3.200 1.177 1.00 0.00 C ATOM 2212 NE ARG A 135 25.522 4.571 1.120 1.00 0.00 N ATOM 2213 CZ ARG A 135 25.437 5.442 2.124 1.00 0.00 C ATOM 2214 NH1 ARG A 135 24.886 5.081 3.276 1.00 0.00 N ATOM 2215 NH2 ARG A 135 25.915 6.672 1.980 1.00 0.00 N ATOM 0 H ARG A 135 22.960 -0.822 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 135 22.033 1.609 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 135 24.156 0.835 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.702 0.556 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.759 2.542 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.184 3.306 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 135 24.078 3.181 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 135 25.722 2.576 1.725 1.00 0.00 H new ATOM 0 HE ARG A 135 25.968 4.880 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 135 24.526 4.134 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 135 24.822 5.750 4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.348 6.951 1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 135 25.849 7.338 2.750 1.00 0.00 H new ATOM 2229 N ARG A 136 23.087 1.806 -2.977 1.00 0.00 N ATOM 2230 CA ARG A 136 23.096 2.577 -4.208 1.00 0.00 C ATOM 2231 C ARG A 136 21.679 2.968 -4.642 1.00 0.00 C ATOM 2232 O ARG A 136 21.416 4.133 -4.956 1.00 0.00 O ATOM 2233 CB ARG A 136 23.785 1.715 -5.262 1.00 0.00 C ATOM 2234 CG ARG A 136 23.966 2.329 -6.625 1.00 0.00 C ATOM 2235 CD ARG A 136 24.221 1.233 -7.641 1.00 0.00 C ATOM 2236 NE ARG A 136 22.987 0.580 -8.079 1.00 0.00 N ATOM 2237 CZ ARG A 136 22.853 -0.739 -8.214 1.00 0.00 C ATOM 2238 NH1 ARG A 136 23.875 -1.543 -7.942 1.00 0.00 N ATOM 2239 NH2 ARG A 136 21.705 -1.254 -8.637 1.00 0.00 N ATOM 0 H ARG A 136 23.576 0.915 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 136 23.631 3.516 -4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 136 24.767 1.434 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 136 23.212 0.795 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 136 23.077 2.897 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 136 24.801 3.030 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 136 24.732 1.655 -8.506 1.00 0.00 H new ATOM 0 HD3 ARG A 136 24.889 0.488 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 136 22.182 1.169 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 136 24.763 -1.151 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 136 23.771 -2.552 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 136 20.922 -0.640 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 136 21.606 -2.264 -8.739 1.00 0.00 H new ATOM 2253 N LYS A 137 20.762 2.002 -4.634 1.00 0.00 N ATOM 2254 CA LYS A 137 19.381 2.266 -5.030 1.00 0.00 C ATOM 2255 C LYS A 137 18.658 3.106 -3.981 1.00 0.00 C ATOM 2256 O LYS A 137 17.949 4.056 -4.316 1.00 0.00 O ATOM 2257 CB LYS A 137 18.614 0.964 -5.274 1.00 0.00 C ATOM 2258 CG LYS A 137 19.050 0.232 -6.538 1.00 0.00 C ATOM 2259 CD LYS A 137 18.123 -0.931 -6.873 1.00 0.00 C ATOM 2260 CE LYS A 137 18.702 -2.278 -6.454 1.00 0.00 C ATOM 2261 NZ LYS A 137 19.040 -2.338 -5.007 1.00 0.00 N ATOM 0 H LYS A 137 20.948 1.037 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 137 19.415 2.828 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.750 0.305 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.549 1.186 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.070 0.932 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.066 -0.140 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.164 -0.781 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.930 -0.940 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 137 17.984 -3.065 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.598 -2.481 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.051 -3.330 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 19.977 -1.915 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.328 -1.811 -4.462 1.00 0.00 H new ATOM 2275 N LEU A 138 18.848 2.748 -2.714 1.00 0.00 N ATOM 2276 CA LEU A 138 18.245 3.478 -1.595 1.00 0.00 C ATOM 2277 C LEU A 138 18.622 4.965 -1.634 1.00 0.00 C ATOM 2278 O LEU A 138 17.829 5.830 -1.256 1.00 0.00 O ATOM 2279 CB LEU A 138 18.686 2.872 -0.260 1.00 0.00 C ATOM 2280 CG LEU A 138 18.444 1.368 -0.090 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.636 0.957 1.359 1.00 0.00 C ATOM 2282 CD2 LEU A 138 17.060 0.981 -0.567 1.00 0.00 C ATOM 0 H LEU A 138 19.419 1.951 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 138 17.163 3.392 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.751 3.065 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.167 3.396 0.543 1.00 0.00 H new ATOM 0 HG LEU A 138 19.175 0.840 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.460 -0.114 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.655 1.188 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.932 1.501 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.916 -0.091 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.311 1.522 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.955 1.234 -1.622 1.00 0.00 H new ATOM 2294 N LEU A 139 19.838 5.249 -2.089 1.00 0.00 N ATOM 2295 CA LEU A 139 20.335 6.619 -2.181 1.00 0.00 C ATOM 2296 C LEU A 139 19.693 7.370 -3.343 1.00 0.00 C ATOM 2297 O LEU A 139 19.390 8.557 -3.233 1.00 0.00 O ATOM 2298 CB LEU A 139 21.854 6.604 -2.354 1.00 0.00 C ATOM 2299 CG LEU A 139 22.609 5.869 -1.255 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.064 5.667 -1.637 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.486 6.630 0.050 1.00 0.00 C ATOM 0 H LEU A 139 20.503 4.542 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 139 20.071 7.137 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.093 6.143 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.212 7.633 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 139 22.167 4.881 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.581 5.140 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.121 5.080 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.536 6.636 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.028 6.100 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.907 7.628 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.435 6.710 0.327 1.00 0.00 H new ATOM 2313 N LYS A 140 19.495 6.676 -4.455 1.00 0.00 N ATOM 2314 CA LYS A 140 18.914 7.284 -5.650 1.00 0.00 C ATOM 2315 C LYS A 140 17.456 7.660 -5.437 1.00 0.00 C ATOM 2316 O LYS A 140 16.935 8.552 -6.109 1.00 0.00 O ATOM 2317 CB LYS A 140 19.013 6.338 -6.836 1.00 0.00 C ATOM 2318 CG LYS A 140 19.850 6.881 -7.975 1.00 0.00 C ATOM 2319 CD LYS A 140 20.241 5.780 -8.939 1.00 0.00 C ATOM 2320 CE LYS A 140 21.411 4.979 -8.421 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.662 5.784 -8.377 1.00 0.00 N ATOM 0 H LYS A 140 19.728 5.688 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 140 19.483 8.191 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.439 5.392 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.010 6.123 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.291 7.651 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 140 20.747 7.355 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.390 5.119 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.496 6.215 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.183 4.609 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.563 4.107 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.484 5.147 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.710 6.398 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.668 6.370 -7.518 1.00 0.00 H new ATOM 2335 N ALA A 141 16.816 6.953 -4.514 1.00 0.00 N ATOM 2336 CA ALA A 141 15.402 7.135 -4.202 1.00 0.00 C ATOM 2337 C ALA A 141 15.025 8.600 -4.017 1.00 0.00 C ATOM 2338 O ALA A 141 15.507 9.220 -3.045 1.00 0.00 O ATOM 2339 CB ALA A 141 15.054 6.353 -2.956 1.00 0.00 C ATOM 2340 OXT ALA A 141 14.237 9.117 -4.833 1.00 0.00 O ATOM 0 H ALA A 141 17.268 6.229 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 141 14.831 6.764 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.998 6.490 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.255 5.295 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.658 6.710 -2.122 1.00 0.00 H new ATOM 2385 N ALA B 215 -17.911 3.484 8.405 1.00 0.00 N ATOM 2386 CA ALA B 215 -18.853 2.571 7.776 1.00 0.00 C ATOM 2387 C ALA B 215 -18.647 1.143 8.281 1.00 0.00 C ATOM 2388 O ALA B 215 -17.628 0.852 8.911 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.693 2.638 6.261 1.00 0.00 C ATOM 0 HA ALA B 215 -19.867 2.871 8.040 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.399 1.954 5.790 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.889 3.654 5.919 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.676 2.354 5.990 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.610 0.238 8.019 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.532 -1.165 8.454 1.00 0.00 C ATOM 2397 C PRO B 216 -18.239 -1.860 8.020 1.00 0.00 C ATOM 2398 O PRO B 216 -17.510 -1.375 7.148 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.748 -1.825 7.784 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.219 -0.850 6.759 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.858 0.504 7.289 1.00 0.00 C ATOM 0 HA PRO B 216 -19.533 -1.240 9.541 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.475 -2.775 7.325 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.530 -2.036 8.513 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -20.742 -1.033 5.796 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.294 -0.935 6.603 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.713 1.228 6.487 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.633 0.904 7.943 1.00 0.00 H new ATOM 2409 N ARG B 217 -17.956 -2.996 8.639 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.737 -3.738 8.359 1.00 0.00 C ATOM 2411 C ARG B 217 -17.014 -5.235 8.294 1.00 0.00 C ATOM 2412 O ARG B 217 -17.738 -5.783 9.130 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.686 -3.423 9.431 1.00 0.00 C ATOM 2414 CG ARG B 217 -14.390 -4.209 9.297 1.00 0.00 C ATOM 2415 CD ARG B 217 -13.252 -3.538 10.051 1.00 0.00 C ATOM 2416 NE ARG B 217 -12.980 -2.195 9.536 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.796 -1.586 9.606 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -10.771 -2.170 10.218 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -11.647 -0.381 9.071 1.00 0.00 N ATOM 0 H ARG B 217 -18.558 -3.426 9.342 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.353 -3.432 7.386 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -15.456 -2.358 9.393 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -16.116 -3.622 10.413 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -14.535 -5.220 9.679 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -14.126 -4.301 8.243 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.503 -3.478 11.110 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -12.352 -4.148 9.970 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.748 -1.691 9.094 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -10.886 -3.092 10.639 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -9.869 -1.696 10.267 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.435 0.073 8.610 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -10.744 0.091 9.121 1.00 0.00 H new