USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 915 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 110 ASN : amide:sc= -2.43! C(o=-2!,f=-2.6!) USER MOD Set 1.2: A 111 SER OG : rot 40:sc= 0.427 USER MOD Set 2.1: A 91 LYS NZ :NH3+ 142:sc= -0.489 (180deg=-1.93!) USER MOD Set 2.2: A 95 THR OG1 : rot 86:sc= 1.15 USER MOD Set 3.1: A 64 GLN :FLIP amide:sc= -10.1! C(o=-15!,f=-14!) USER MOD Set 3.2: A 69 TYR OH : rot 165:sc= -0.0875 USER MOD Set 3.3: A 94 GLN :FLIP amide:sc= -3.47! C(o=-20!,f=-14!) USER MOD Set 4.1: A 25 HIS : no HD1:sc= -7.46! C(o=-7.3!,f=-7.8!) USER MOD Set 4.2: A 114 SER OG : rot 84:sc= 0.201 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 36 THR OG1 : rot 178:sc= 0.467 USER MOD Single : A 38 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.12) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.46) USER MOD Single : A 48 ASN : amide:sc=-0.00082 X(o=-0.00082,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc=-0.00315 (180deg=-0.0834) USER MOD Single : A 51 THR OG1 : rot 160:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 46:sc= 0.56 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-3.7!) USER MOD Single : A 61 TYR OH : rot 165:sc= -0.0726 USER MOD Single : A 63 CYS SG : rot -109:sc= -1.67 USER MOD Single : A 71 CYS SG : rot 18:sc= -5.52! USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.91 K(o=-1.9,f=-5.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= -2.18 (180deg=-2.18) USER MOD Single : A 96 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0028 X(o=-0.0028,f=-0.085) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 163:sc= -3.97! (180deg=-4.45!) USER MOD Single : A 115 SER OG : rot -29:sc= 0.878 USER MOD Single : A 120 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.14) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.133 7.407 6.797 1.00 0.00 N ATOM 94 CA ILE A 10 -2.084 6.788 5.478 1.00 0.00 C ATOM 95 C ILE A 10 -3.307 7.165 4.648 1.00 0.00 C ATOM 96 O ILE A 10 -4.431 7.184 5.152 1.00 0.00 O ATOM 97 CB ILE A 10 -2.000 5.253 5.579 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.771 4.841 6.392 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.956 4.633 4.191 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.943 3.527 7.122 1.00 0.00 C ATOM 0 HA ILE A 10 -1.185 7.162 4.987 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.890 4.887 6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.088 4.767 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.546 5.623 7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.897 3.548 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.858 4.904 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.081 5.002 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.034 3.297 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.782 3.602 7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.138 2.733 6.401 1.00 0.00 H new ATOM 112 N LEU A 11 -3.080 7.463 3.374 1.00 0.00 N ATOM 113 CA LEU A 11 -4.164 7.838 2.472 1.00 0.00 C ATOM 114 C LEU A 11 -4.190 6.931 1.246 1.00 0.00 C ATOM 115 O LEU A 11 -5.257 6.597 0.730 1.00 0.00 O ATOM 116 CB LEU A 11 -4.011 9.297 2.038 1.00 0.00 C ATOM 117 CG LEU A 11 -4.303 10.350 3.108 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.775 11.709 2.677 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.797 10.421 3.391 1.00 0.00 C ATOM 0 H LEU A 11 -2.156 7.452 2.942 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.106 7.722 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.992 9.444 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.674 9.475 1.191 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.792 10.060 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.992 12.446 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.697 11.649 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.257 12.008 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.987 11.175 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.328 10.688 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.147 9.451 3.744 1.00 0.00 H new ATOM 131 N PHE A 12 -3.009 6.534 0.785 1.00 0.00 N ATOM 132 CA PHE A 12 -2.896 5.664 -0.380 1.00 0.00 C ATOM 133 C PHE A 12 -2.253 4.332 -0.005 1.00 0.00 C ATOM 134 O PHE A 12 -1.202 4.297 0.635 1.00 0.00 O ATOM 135 CB PHE A 12 -2.077 6.348 -1.477 1.00 0.00 C ATOM 136 CG PHE A 12 -2.143 5.643 -2.802 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.271 4.607 -3.094 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.076 6.019 -3.755 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.329 3.956 -4.313 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.139 5.372 -4.975 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.264 4.340 -5.254 1.00 0.00 C ATOM 0 H PHE A 12 -2.116 6.801 1.200 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.901 5.469 -0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.433 7.371 -1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.036 6.409 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.537 4.304 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.761 6.826 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.644 3.149 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.872 5.673 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.311 3.834 -6.207 1.00 0.00 H new ATOM 151 N ALA A 13 -2.892 3.239 -0.407 1.00 0.00 N ATOM 152 CA ALA A 13 -2.382 1.905 -0.114 1.00 0.00 C ATOM 153 C ALA A 13 -2.906 0.884 -1.119 1.00 0.00 C ATOM 154 O ALA A 13 -4.102 0.593 -1.157 1.00 0.00 O ATOM 155 CB ALA A 13 -2.758 1.495 1.302 1.00 0.00 C ATOM 0 H ALA A 13 -3.764 3.251 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.295 1.932 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.371 0.497 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.330 2.203 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.843 1.491 1.404 1.00 0.00 H new ATOM 161 N VAL A 14 -2.004 0.344 -1.932 1.00 0.00 N ATOM 162 CA VAL A 14 -2.375 -0.644 -2.938 1.00 0.00 C ATOM 163 C VAL A 14 -1.385 -1.803 -2.961 1.00 0.00 C ATOM 164 O VAL A 14 -0.196 -1.623 -2.697 1.00 0.00 O ATOM 165 CB VAL A 14 -2.447 -0.016 -4.343 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.306 1.239 -4.323 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.050 0.291 -4.860 1.00 0.00 C ATOM 0 H VAL A 14 -1.010 0.574 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.362 -1.018 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.911 -0.733 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.345 1.669 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.315 0.984 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.874 1.964 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.119 0.734 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.557 0.990 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.471 -0.631 -4.913 1.00 0.00 H new ATOM 177 N VAL A 15 -1.883 -2.994 -3.279 1.00 0.00 N ATOM 178 CA VAL A 15 -1.042 -4.183 -3.339 1.00 0.00 C ATOM 179 C VAL A 15 -0.691 -4.536 -4.780 1.00 0.00 C ATOM 180 O VAL A 15 -1.566 -4.869 -5.578 1.00 0.00 O ATOM 181 CB VAL A 15 -1.732 -5.392 -2.679 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.845 -6.625 -2.765 1.00 0.00 C ATOM 183 CG2 VAL A 15 -2.085 -5.079 -1.233 1.00 0.00 C ATOM 0 H VAL A 15 -2.865 -3.161 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.128 -3.952 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.656 -5.600 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.349 -7.469 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.647 -6.859 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.097 -6.432 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.572 -5.944 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.176 -4.844 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.761 -4.224 -1.200 1.00 0.00 H new ATOM 193 N ALA A 16 0.596 -4.462 -5.105 1.00 0.00 N ATOM 194 CA ALA A 16 1.063 -4.776 -6.449 1.00 0.00 C ATOM 195 C ALA A 16 2.313 -5.648 -6.406 1.00 0.00 C ATOM 196 O ALA A 16 3.189 -5.453 -5.562 1.00 0.00 O ATOM 197 CB ALA A 16 1.336 -3.497 -7.226 1.00 0.00 C ATOM 0 H ALA A 16 1.333 -4.187 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 16 0.278 -5.336 -6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.684 -3.747 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.419 -2.911 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.100 -2.915 -6.711 1.00 0.00 H new ATOM 203 N ARG A 17 2.390 -6.611 -7.319 1.00 0.00 N ATOM 204 CA ARG A 17 3.533 -7.514 -7.383 1.00 0.00 C ATOM 205 C ARG A 17 4.453 -7.145 -8.543 1.00 0.00 C ATOM 206 O ARG A 17 4.132 -7.391 -9.705 1.00 0.00 O ATOM 207 CB ARG A 17 3.059 -8.960 -7.533 1.00 0.00 C ATOM 208 CG ARG A 17 2.390 -9.246 -8.868 1.00 0.00 C ATOM 209 CD ARG A 17 1.540 -10.506 -8.807 1.00 0.00 C ATOM 210 NE ARG A 17 0.870 -10.777 -10.076 1.00 0.00 N ATOM 211 CZ ARG A 17 1.510 -11.151 -11.179 1.00 0.00 C ATOM 212 NH1 ARG A 17 2.827 -11.298 -11.167 1.00 0.00 N ATOM 213 NH2 ARG A 17 0.831 -11.380 -12.295 1.00 0.00 N ATOM 0 H ARG A 17 1.674 -6.786 -8.024 1.00 0.00 H new ATOM 0 HA ARG A 17 4.094 -7.418 -6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.912 -9.628 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.360 -9.190 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.766 -8.399 -9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.150 -9.356 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.169 -11.355 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.795 -10.402 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.144 -10.674 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.352 -11.124 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.316 -11.585 -12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.183 -11.269 -12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.323 -11.667 -13.141 1.00 0.00 H new ATOM 227 N GLY A 18 5.598 -6.552 -8.219 1.00 0.00 N ATOM 228 CA GLY A 18 6.546 -6.159 -9.244 1.00 0.00 C ATOM 229 C GLY A 18 6.005 -5.067 -10.146 1.00 0.00 C ATOM 230 O GLY A 18 6.221 -3.881 -9.897 1.00 0.00 O ATOM 0 H GLY A 18 5.886 -6.337 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.465 -5.813 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.806 -7.029 -9.847 1.00 0.00 H new ATOM 234 N THR A 19 5.299 -5.468 -11.200 1.00 0.00 N ATOM 235 CA THR A 19 4.728 -4.516 -12.144 1.00 0.00 C ATOM 236 C THR A 19 3.280 -4.865 -12.469 1.00 0.00 C ATOM 237 O THR A 19 2.799 -4.600 -13.571 1.00 0.00 O ATOM 238 CB THR A 19 5.539 -4.466 -13.452 1.00 0.00 C ATOM 239 OG1 THR A 19 6.022 -5.774 -13.779 1.00 0.00 O ATOM 240 CG2 THR A 19 6.710 -3.504 -13.327 1.00 0.00 C ATOM 0 H THR A 19 5.110 -6.446 -11.420 1.00 0.00 H new ATOM 0 HA THR A 19 4.764 -3.537 -11.666 1.00 0.00 H new ATOM 0 HB THR A 19 4.883 -4.112 -14.247 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.535 -5.734 -14.613 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.268 -3.486 -14.263 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.337 -2.504 -13.107 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.366 -3.832 -12.520 1.00 0.00 H new ATOM 248 N THR A 20 2.589 -5.462 -11.503 1.00 0.00 N ATOM 249 CA THR A 20 1.196 -5.848 -11.686 1.00 0.00 C ATOM 250 C THR A 20 0.360 -5.493 -10.462 1.00 0.00 C ATOM 251 O THR A 20 0.674 -5.904 -9.344 1.00 0.00 O ATOM 252 CB THR A 20 1.063 -7.357 -11.964 1.00 0.00 C ATOM 253 OG1 THR A 20 1.888 -7.725 -13.075 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.383 -7.729 -12.254 1.00 0.00 C ATOM 0 H THR A 20 2.972 -5.689 -10.585 1.00 0.00 H new ATOM 0 HA THR A 20 0.826 -5.293 -12.548 1.00 0.00 H new ATOM 0 HB THR A 20 1.389 -7.898 -11.075 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.799 -8.686 -13.244 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.452 -8.800 -12.447 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.003 -7.475 -11.395 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.732 -7.179 -13.128 1.00 0.00 H new ATOM 262 N ILE A 21 -0.705 -4.728 -10.679 1.00 0.00 N ATOM 263 CA ILE A 21 -1.586 -4.320 -9.592 1.00 0.00 C ATOM 264 C ILE A 21 -2.767 -5.274 -9.454 1.00 0.00 C ATOM 265 O ILE A 21 -3.573 -5.419 -10.374 1.00 0.00 O ATOM 266 CB ILE A 21 -2.118 -2.890 -9.806 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.960 -1.926 -10.073 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.923 -2.439 -8.597 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.388 -0.638 -10.740 1.00 0.00 C ATOM 0 H ILE A 21 -0.978 -4.379 -11.597 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.993 -4.346 -8.678 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.774 -2.888 -10.676 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.469 -1.691 -9.129 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.221 -2.423 -10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.292 -1.427 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.766 -3.113 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.288 -2.453 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.516 -0.003 -10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.853 -0.862 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.104 -0.119 -10.103 1.00 0.00 H new ATOM 281 N LEU A 22 -2.864 -5.923 -8.299 1.00 0.00 N ATOM 282 CA LEU A 22 -3.948 -6.863 -8.038 1.00 0.00 C ATOM 283 C LEU A 22 -5.144 -6.155 -7.409 1.00 0.00 C ATOM 284 O LEU A 22 -6.279 -6.315 -7.858 1.00 0.00 O ATOM 285 CB LEU A 22 -3.465 -7.986 -7.118 1.00 0.00 C ATOM 286 CG LEU A 22 -2.298 -8.825 -7.640 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.567 -9.496 -6.487 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.791 -9.863 -8.637 1.00 0.00 C ATOM 0 H LEU A 22 -2.205 -5.815 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.262 -7.290 -8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.173 -7.547 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.305 -8.652 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.599 -8.163 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.740 -10.089 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.180 -8.735 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.257 -10.146 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.947 -10.451 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.510 -10.522 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.270 -9.361 -9.478 1.00 0.00 H new ATOM 300 N ALA A 23 -4.881 -5.370 -6.370 1.00 0.00 N ATOM 301 CA ALA A 23 -5.934 -4.633 -5.683 1.00 0.00 C ATOM 302 C ALA A 23 -5.463 -3.237 -5.291 1.00 0.00 C ATOM 303 O ALA A 23 -4.543 -3.083 -4.488 1.00 0.00 O ATOM 304 CB ALA A 23 -6.398 -5.400 -4.453 1.00 0.00 C ATOM 0 H ALA A 23 -3.947 -5.228 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.774 -4.524 -6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.185 -4.838 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.784 -6.373 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.558 -5.538 -3.772 1.00 0.00 H new ATOM 310 N LYS A 24 -6.098 -2.221 -5.865 1.00 0.00 N ATOM 311 CA LYS A 24 -5.744 -0.836 -5.576 1.00 0.00 C ATOM 312 C LYS A 24 -6.955 -0.060 -5.066 1.00 0.00 C ATOM 313 O LYS A 24 -8.031 -0.108 -5.661 1.00 0.00 O ATOM 314 CB LYS A 24 -5.183 -0.159 -6.829 1.00 0.00 C ATOM 315 CG LYS A 24 -6.074 -0.306 -8.050 1.00 0.00 C ATOM 316 CD LYS A 24 -5.739 0.728 -9.112 1.00 0.00 C ATOM 317 CE LYS A 24 -6.963 1.099 -9.935 1.00 0.00 C ATOM 318 NZ LYS A 24 -7.709 2.240 -9.336 1.00 0.00 N ATOM 0 H LYS A 24 -6.861 -2.330 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.981 -0.837 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.035 0.901 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.203 -0.581 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.960 -1.307 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.118 -0.201 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.335 1.622 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.962 0.337 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.655 1.358 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.623 0.235 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.536 2.462 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.025 1.984 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.087 3.072 -9.284 1.00 0.00 H new ATOM 332 N HIS A 25 -6.770 0.655 -3.961 1.00 0.00 N ATOM 333 CA HIS A 25 -7.847 1.443 -3.372 1.00 0.00 C ATOM 334 C HIS A 25 -7.288 2.550 -2.484 1.00 0.00 C ATOM 335 O HIS A 25 -6.695 2.281 -1.439 1.00 0.00 O ATOM 336 CB HIS A 25 -8.780 0.544 -2.559 1.00 0.00 C ATOM 337 CG HIS A 25 -9.229 -0.678 -3.299 1.00 0.00 C ATOM 338 ND1 HIS A 25 -10.245 -0.663 -4.232 1.00 0.00 N ATOM 339 CD2 HIS A 25 -8.792 -1.958 -3.242 1.00 0.00 C ATOM 340 CE1 HIS A 25 -10.415 -1.881 -4.714 1.00 0.00 C ATOM 341 NE2 HIS A 25 -9.546 -2.686 -4.130 1.00 0.00 N ATOM 0 H HIS A 25 -5.885 0.705 -3.456 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.412 1.902 -4.183 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.271 0.239 -1.645 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.656 1.120 -2.259 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.998 -2.336 -2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.141 -2.170 -5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.450 -3.686 -4.309 1.00 0.00 H new ATOM 350 N ALA A 26 -7.479 3.795 -2.907 1.00 0.00 N ATOM 351 CA ALA A 26 -6.995 4.943 -2.150 1.00 0.00 C ATOM 352 C ALA A 26 -8.114 5.948 -1.901 1.00 0.00 C ATOM 353 O ALA A 26 -9.175 5.875 -2.520 1.00 0.00 O ATOM 354 CB ALA A 26 -5.838 5.608 -2.881 1.00 0.00 C ATOM 0 H ALA A 26 -7.966 4.035 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.642 4.586 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.487 6.464 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.024 4.893 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.173 5.945 -3.862 1.00 0.00 H new ATOM 360 N TRP A 27 -7.869 6.885 -0.992 1.00 0.00 N ATOM 361 CA TRP A 27 -8.857 7.905 -0.661 1.00 0.00 C ATOM 362 C TRP A 27 -9.001 8.913 -1.796 1.00 0.00 C ATOM 363 O TRP A 27 -8.075 9.111 -2.583 1.00 0.00 O ATOM 364 CB TRP A 27 -8.464 8.626 0.630 1.00 0.00 C ATOM 365 CG TRP A 27 -8.797 7.850 1.868 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.125 6.770 2.365 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.886 8.094 2.765 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.730 6.328 3.516 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.813 7.123 3.784 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.915 9.038 2.809 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.729 7.072 4.830 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.824 8.986 3.848 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.726 8.009 4.848 1.00 0.00 C ATOM 0 H TRP A 27 -6.995 6.959 -0.471 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.817 7.410 -0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.393 8.828 0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.970 9.591 0.667 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.247 6.328 1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.423 5.536 4.080 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.998 9.796 2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.656 6.319 5.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.624 9.711 3.890 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.451 7.995 5.648 1.00 0.00 H new ATOM 384 N CYS A 28 -10.166 9.546 -1.875 1.00 0.00 N ATOM 385 CA CYS A 28 -10.430 10.533 -2.916 1.00 0.00 C ATOM 386 C CYS A 28 -9.701 11.841 -2.623 1.00 0.00 C ATOM 387 O CYS A 28 -10.123 12.622 -1.771 1.00 0.00 O ATOM 388 CB CYS A 28 -11.933 10.790 -3.035 1.00 0.00 C ATOM 389 SG CYS A 28 -12.378 11.992 -4.310 1.00 0.00 S ATOM 0 H CYS A 28 -10.942 9.394 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.060 10.135 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.436 9.847 -3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.308 11.141 -2.073 1.00 0.00 H new ATOM 0 HG CYS A 28 -13.669 12.140 -4.335 1.00 0.00 H new ATOM 395 N GLY A 29 -8.602 12.071 -3.335 1.00 0.00 N ATOM 396 CA GLY A 29 -7.830 13.284 -3.136 1.00 0.00 C ATOM 397 C GLY A 29 -7.014 13.659 -4.357 1.00 0.00 C ATOM 398 O GLY A 29 -7.162 14.754 -4.898 1.00 0.00 O ATOM 0 H GLY A 29 -8.233 11.439 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.504 14.104 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.163 13.151 -2.284 1.00 0.00 H new ATOM 402 N GLY A 30 -6.148 12.749 -4.791 1.00 0.00 N ATOM 403 CA GLY A 30 -5.317 13.009 -5.952 1.00 0.00 C ATOM 404 C GLY A 30 -4.979 11.746 -6.719 1.00 0.00 C ATOM 405 O GLY A 30 -5.576 10.695 -6.490 1.00 0.00 O ATOM 0 H GLY A 30 -6.007 11.836 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.831 13.706 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.395 13.494 -5.633 1.00 0.00 H new ATOM 409 N ASN A 31 -4.020 11.849 -7.633 1.00 0.00 N ATOM 410 CA ASN A 31 -3.605 10.706 -8.438 1.00 0.00 C ATOM 411 C ASN A 31 -2.248 10.181 -7.978 1.00 0.00 C ATOM 412 O ASN A 31 -1.214 10.804 -8.220 1.00 0.00 O ATOM 413 CB ASN A 31 -3.539 11.094 -9.916 1.00 0.00 C ATOM 414 CG ASN A 31 -2.553 12.216 -10.177 1.00 0.00 C ATOM 415 OD1 ASN A 31 -1.406 11.974 -10.554 1.00 0.00 O ATOM 416 ND2 ASN A 31 -2.996 13.452 -9.976 1.00 0.00 N ATOM 0 H ASN A 31 -3.516 12.712 -7.835 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.344 9.915 -8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.256 10.222 -10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.530 11.399 -10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.378 14.247 -10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.955 13.606 -9.663 1.00 0.00 H new ATOM 423 N PHE A 32 -2.260 9.030 -7.314 1.00 0.00 N ATOM 424 CA PHE A 32 -1.031 8.420 -6.819 1.00 0.00 C ATOM 425 C PHE A 32 -0.632 7.225 -7.681 1.00 0.00 C ATOM 426 O PHE A 32 0.548 7.020 -7.970 1.00 0.00 O ATOM 427 CB PHE A 32 -1.205 7.979 -5.365 1.00 0.00 C ATOM 428 CG PHE A 32 -0.939 9.073 -4.371 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.302 9.688 -4.312 1.00 0.00 C ATOM 430 CD2 PHE A 32 -1.930 9.487 -3.495 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.549 10.694 -3.398 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.688 10.494 -2.579 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.448 11.099 -2.531 1.00 0.00 C ATOM 0 H PHE A 32 -3.107 8.501 -7.106 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.238 9.165 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.221 7.611 -5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.533 7.145 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.085 9.377 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.902 9.018 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.521 11.164 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.469 10.807 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.258 11.887 -1.817 1.00 0.00 H new ATOM 443 N LEU A 33 -1.623 6.440 -8.087 1.00 0.00 N ATOM 444 CA LEU A 33 -1.377 5.264 -8.915 1.00 0.00 C ATOM 445 C LEU A 33 -0.267 5.533 -9.927 1.00 0.00 C ATOM 446 O LEU A 33 0.590 4.683 -10.162 1.00 0.00 O ATOM 447 CB LEU A 33 -2.657 4.852 -9.643 1.00 0.00 C ATOM 448 CG LEU A 33 -2.726 3.397 -10.109 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.632 2.451 -8.922 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.007 3.147 -10.892 1.00 0.00 C ATOM 0 H LEU A 33 -2.604 6.596 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.059 4.451 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.504 5.042 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.780 5.497 -10.513 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.878 3.207 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.683 1.420 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.687 2.611 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.459 2.642 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.039 2.107 -11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.868 3.356 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.033 3.799 -11.765 1.00 0.00 H new ATOM 462 N GLU A 34 -0.290 6.723 -10.520 1.00 0.00 N ATOM 463 CA GLU A 34 0.716 7.104 -11.505 1.00 0.00 C ATOM 464 C GLU A 34 2.122 6.967 -10.928 1.00 0.00 C ATOM 465 O GLU A 34 2.901 6.116 -11.359 1.00 0.00 O ATOM 466 CB GLU A 34 0.483 8.541 -11.974 1.00 0.00 C ATOM 467 CG GLU A 34 1.248 8.901 -13.237 1.00 0.00 C ATOM 468 CD GLU A 34 0.839 10.246 -13.804 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.303 10.678 -13.539 1.00 0.00 O ATOM 470 OE2 GLU A 34 1.658 10.867 -14.513 1.00 0.00 O ATOM 0 H GLU A 34 -0.993 7.439 -10.336 1.00 0.00 H new ATOM 0 HA GLU A 34 0.625 6.432 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.582 8.688 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.772 9.226 -11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.316 8.912 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.084 8.129 -13.989 1.00 0.00 H new ATOM 477 N VAL A 35 2.439 7.811 -9.952 1.00 0.00 N ATOM 478 CA VAL A 35 3.751 7.784 -9.315 1.00 0.00 C ATOM 479 C VAL A 35 4.065 6.399 -8.760 1.00 0.00 C ATOM 480 O VAL A 35 5.188 5.909 -8.882 1.00 0.00 O ATOM 481 CB VAL A 35 3.841 8.815 -8.174 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.712 8.607 -7.176 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.195 8.729 -7.485 1.00 0.00 C ATOM 0 H VAL A 35 1.806 8.522 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 35 4.481 8.038 -10.083 1.00 0.00 H new ATOM 0 HB VAL A 35 3.738 9.813 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.792 9.344 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.753 8.723 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.780 7.605 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.242 9.464 -6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.330 7.730 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.985 8.931 -8.208 1.00 0.00 H new ATOM 493 N THR A 36 3.064 5.771 -8.150 1.00 0.00 N ATOM 494 CA THR A 36 3.233 4.443 -7.576 1.00 0.00 C ATOM 495 C THR A 36 3.739 3.453 -8.619 1.00 0.00 C ATOM 496 O THR A 36 4.761 2.798 -8.421 1.00 0.00 O ATOM 497 CB THR A 36 1.913 3.915 -6.982 1.00 0.00 C ATOM 498 OG1 THR A 36 1.542 4.697 -5.841 1.00 0.00 O ATOM 499 CG2 THR A 36 2.045 2.454 -6.581 1.00 0.00 C ATOM 0 H THR A 36 2.128 6.162 -8.041 1.00 0.00 H new ATOM 0 HA THR A 36 3.971 4.535 -6.779 1.00 0.00 H new ATOM 0 HB THR A 36 1.139 3.996 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.684 4.379 -5.491 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.100 2.104 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.298 1.858 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.831 2.352 -5.833 1.00 0.00 H new ATOM 507 N GLU A 37 3.016 3.350 -9.730 1.00 0.00 N ATOM 508 CA GLU A 37 3.393 2.439 -10.804 1.00 0.00 C ATOM 509 C GLU A 37 4.832 2.687 -11.248 1.00 0.00 C ATOM 510 O GLU A 37 5.642 1.762 -11.303 1.00 0.00 O ATOM 511 CB GLU A 37 2.446 2.599 -11.995 1.00 0.00 C ATOM 512 CG GLU A 37 1.076 1.982 -11.771 1.00 0.00 C ATOM 513 CD GLU A 37 0.211 2.013 -13.016 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.225 3.116 -13.409 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.030 0.935 -13.597 1.00 0.00 O ATOM 0 H GLU A 37 2.167 3.886 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 37 3.318 1.420 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.326 3.660 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.901 2.143 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.196 0.950 -11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.569 2.515 -10.967 1.00 0.00 H new ATOM 522 N GLN A 38 5.140 3.940 -11.562 1.00 0.00 N ATOM 523 CA GLN A 38 6.481 4.310 -12.002 1.00 0.00 C ATOM 524 C GLN A 38 7.538 3.750 -11.055 1.00 0.00 C ATOM 525 O GLN A 38 8.587 3.277 -11.491 1.00 0.00 O ATOM 526 CB GLN A 38 6.611 5.831 -12.088 1.00 0.00 C ATOM 527 CG GLN A 38 5.642 6.470 -13.071 1.00 0.00 C ATOM 528 CD GLN A 38 6.047 7.878 -13.458 1.00 0.00 C ATOM 529 OE1 GLN A 38 5.278 8.825 -13.293 1.00 0.00 O ATOM 530 NE2 GLN A 38 7.261 8.024 -13.976 1.00 0.00 N ATOM 0 H GLN A 38 4.480 4.717 -11.520 1.00 0.00 H new ATOM 0 HA GLN A 38 6.642 3.882 -12.992 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.446 6.258 -11.099 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.630 6.084 -12.379 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.582 5.854 -13.968 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.645 6.491 -12.631 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.866 7.211 -14.095 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.589 8.949 -14.255 1.00 0.00 H new ATOM 539 N ILE A 39 7.253 3.809 -9.758 1.00 0.00 N ATOM 540 CA ILE A 39 8.179 3.307 -8.750 1.00 0.00 C ATOM 541 C ILE A 39 8.226 1.783 -8.756 1.00 0.00 C ATOM 542 O ILE A 39 9.293 1.183 -8.627 1.00 0.00 O ATOM 543 CB ILE A 39 7.794 3.792 -7.341 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.824 5.321 -7.278 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.731 3.196 -6.301 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.218 5.902 -7.356 1.00 0.00 C ATOM 0 H ILE A 39 6.389 4.199 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 39 9.164 3.699 -9.004 1.00 0.00 H new ATOM 0 HB ILE A 39 6.780 3.458 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.226 5.722 -8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.355 5.648 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.446 3.548 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.665 2.108 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.755 3.504 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.162 6.989 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.814 5.530 -6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.684 5.606 -8.296 1.00 0.00 H new ATOM 558 N LEU A 40 7.061 1.162 -8.909 1.00 0.00 N ATOM 559 CA LEU A 40 6.968 -0.294 -8.934 1.00 0.00 C ATOM 560 C LEU A 40 7.938 -0.884 -9.953 1.00 0.00 C ATOM 561 O LEU A 40 8.708 -1.791 -9.639 1.00 0.00 O ATOM 562 CB LEU A 40 5.538 -0.727 -9.263 1.00 0.00 C ATOM 563 CG LEU A 40 4.496 -0.484 -8.172 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.094 -0.730 -8.708 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.770 -1.371 -6.966 1.00 0.00 C ATOM 0 H LEU A 40 6.168 1.644 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 40 7.236 -0.668 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.220 -0.204 -10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.547 -1.791 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 40 4.565 0.557 -7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.366 -0.552 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.899 -0.053 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.012 -1.761 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.018 -1.185 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.729 -2.418 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.759 -1.147 -6.567 1.00 0.00 H new ATOM 577 N ALA A 41 7.895 -0.362 -11.174 1.00 0.00 N ATOM 578 CA ALA A 41 8.773 -0.834 -12.238 1.00 0.00 C ATOM 579 C ALA A 41 10.234 -0.793 -11.803 1.00 0.00 C ATOM 580 O ALA A 41 11.082 -1.479 -12.374 1.00 0.00 O ATOM 581 CB ALA A 41 8.572 -0.002 -13.496 1.00 0.00 C ATOM 0 H ALA A 41 7.262 0.388 -11.451 1.00 0.00 H new ATOM 0 HA ALA A 41 8.515 -1.870 -12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.234 -0.365 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.537 -0.086 -13.826 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.802 1.042 -13.282 1.00 0.00 H new ATOM 587 N LYS A 42 10.522 0.015 -10.789 1.00 0.00 N ATOM 588 CA LYS A 42 11.881 0.145 -10.276 1.00 0.00 C ATOM 589 C LYS A 42 12.067 -0.687 -9.011 1.00 0.00 C ATOM 590 O LYS A 42 13.166 -1.163 -8.728 1.00 0.00 O ATOM 591 CB LYS A 42 12.199 1.614 -9.985 1.00 0.00 C ATOM 592 CG LYS A 42 12.507 2.428 -11.230 1.00 0.00 C ATOM 593 CD LYS A 42 12.424 3.920 -10.955 1.00 0.00 C ATOM 594 CE LYS A 42 12.415 4.725 -12.245 1.00 0.00 C ATOM 595 NZ LYS A 42 13.759 4.758 -12.887 1.00 0.00 N ATOM 0 H LYS A 42 9.832 0.590 -10.306 1.00 0.00 H new ATOM 0 HA LYS A 42 12.568 -0.226 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.352 2.065 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.051 1.665 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.505 2.179 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.806 2.163 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.521 4.136 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.271 4.225 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.692 4.294 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.087 5.743 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.712 5.316 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.444 5.193 -12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.061 3.788 -13.110 1.00 0.00 H new ATOM 609 N ILE A 43 10.987 -0.858 -8.257 1.00 0.00 N ATOM 610 CA ILE A 43 11.032 -1.635 -7.025 1.00 0.00 C ATOM 611 C ILE A 43 11.382 -3.092 -7.306 1.00 0.00 C ATOM 612 O ILE A 43 10.775 -3.751 -8.150 1.00 0.00 O ATOM 613 CB ILE A 43 9.688 -1.578 -6.274 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.467 -0.183 -5.685 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.648 -2.633 -5.179 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.127 -0.021 -5.002 1.00 0.00 C ATOM 0 H ILE A 43 10.070 -0.469 -8.478 1.00 0.00 H new ATOM 0 HA ILE A 43 11.808 -1.191 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 43 8.885 -1.785 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.260 0.029 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.552 0.556 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.692 -2.580 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.765 -3.622 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.458 -2.454 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.039 0.992 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.328 -0.201 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.047 -0.737 -4.184 1.00 0.00 H new ATOM 628 N PRO A 44 12.385 -3.610 -6.581 1.00 0.00 N ATOM 629 CA PRO A 44 12.838 -4.995 -6.733 1.00 0.00 C ATOM 630 C PRO A 44 11.815 -6.000 -6.215 1.00 0.00 C ATOM 631 O PRO A 44 10.804 -5.621 -5.623 1.00 0.00 O ATOM 632 CB PRO A 44 14.114 -5.046 -5.888 1.00 0.00 C ATOM 633 CG PRO A 44 13.940 -3.967 -4.875 1.00 0.00 C ATOM 634 CD PRO A 44 13.154 -2.882 -5.557 1.00 0.00 C ATOM 0 HA PRO A 44 12.992 -5.261 -7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.236 -6.019 -5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.001 -4.876 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.412 -4.338 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.905 -3.594 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.500 -2.360 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.807 -2.132 -6.003 1.00 0.00 H new ATOM 642 N SER A 45 12.084 -7.282 -6.440 1.00 0.00 N ATOM 643 CA SER A 45 11.185 -8.341 -5.998 1.00 0.00 C ATOM 644 C SER A 45 11.897 -9.297 -5.045 1.00 0.00 C ATOM 645 O SER A 45 11.645 -10.501 -5.054 1.00 0.00 O ATOM 646 CB SER A 45 10.642 -9.113 -7.202 1.00 0.00 C ATOM 647 OG SER A 45 10.051 -8.237 -8.145 1.00 0.00 O ATOM 0 H SER A 45 12.918 -7.612 -6.926 1.00 0.00 H new ATOM 0 HA SER A 45 10.353 -7.879 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.450 -9.670 -7.675 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.905 -9.843 -6.868 1.00 0.00 H new ATOM 0 HG SER A 45 9.713 -8.755 -8.906 1.00 0.00 H new ATOM 653 N GLU A 46 12.788 -8.749 -4.225 1.00 0.00 N ATOM 654 CA GLU A 46 13.538 -9.553 -3.266 1.00 0.00 C ATOM 655 C GLU A 46 13.002 -9.353 -1.852 1.00 0.00 C ATOM 656 O GLU A 46 12.377 -8.337 -1.551 1.00 0.00 O ATOM 657 CB GLU A 46 15.024 -9.192 -3.317 1.00 0.00 C ATOM 658 CG GLU A 46 15.693 -9.548 -4.634 1.00 0.00 C ATOM 659 CD GLU A 46 15.349 -8.574 -5.744 1.00 0.00 C ATOM 660 OE1 GLU A 46 15.971 -7.493 -5.798 1.00 0.00 O ATOM 661 OE2 GLU A 46 14.457 -8.892 -6.558 1.00 0.00 O ATOM 0 H GLU A 46 13.008 -7.753 -4.205 1.00 0.00 H new ATOM 0 HA GLU A 46 13.417 -10.602 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.135 -8.122 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.542 -9.705 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.774 -9.568 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.392 -10.553 -4.931 1.00 0.00 H new ATOM 668 N ASN A 47 13.252 -10.331 -0.987 1.00 0.00 N ATOM 669 CA ASN A 47 12.794 -10.264 0.396 1.00 0.00 C ATOM 670 C ASN A 47 13.502 -9.142 1.150 1.00 0.00 C ATOM 671 O ASN A 47 14.442 -9.385 1.905 1.00 0.00 O ATOM 672 CB ASN A 47 13.038 -11.600 1.101 1.00 0.00 C ATOM 673 CG ASN A 47 12.248 -11.726 2.390 1.00 0.00 C ATOM 674 OD1 ASN A 47 12.453 -10.961 3.333 1.00 0.00 O ATOM 675 ND2 ASN A 47 11.341 -12.694 2.436 1.00 0.00 N ATOM 0 H ASN A 47 13.769 -11.179 -1.219 1.00 0.00 H new ATOM 0 HA ASN A 47 11.724 -10.054 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.768 -12.416 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.101 -11.705 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.780 -12.827 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.205 -13.304 1.630 1.00 0.00 H new ATOM 682 N ASN A 48 13.042 -7.913 0.939 1.00 0.00 N ATOM 683 CA ASN A 48 13.631 -6.753 1.598 1.00 0.00 C ATOM 684 C ASN A 48 12.841 -5.487 1.280 1.00 0.00 C ATOM 685 O ASN A 48 12.277 -5.350 0.194 1.00 0.00 O ATOM 686 CB ASN A 48 15.088 -6.580 1.165 1.00 0.00 C ATOM 687 CG ASN A 48 15.219 -5.791 -0.123 1.00 0.00 C ATOM 688 OD1 ASN A 48 15.014 -6.323 -1.214 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.563 -4.513 -0.002 1.00 0.00 N ATOM 0 H ASN A 48 12.264 -7.695 0.317 1.00 0.00 H new ATOM 0 HA ASN A 48 13.596 -6.921 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.641 -6.074 1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.544 -7.561 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.667 -3.932 -0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.723 -4.113 0.923 1.00 0.00 H new ATOM 696 N LYS A 49 12.804 -4.564 2.234 1.00 0.00 N ATOM 697 CA LYS A 49 12.085 -3.308 2.057 1.00 0.00 C ATOM 698 C LYS A 49 13.042 -2.121 2.104 1.00 0.00 C ATOM 699 O LYS A 49 14.157 -2.230 2.617 1.00 0.00 O ATOM 700 CB LYS A 49 11.012 -3.153 3.138 1.00 0.00 C ATOM 701 CG LYS A 49 11.546 -3.306 4.551 1.00 0.00 C ATOM 702 CD LYS A 49 11.455 -4.745 5.030 1.00 0.00 C ATOM 703 CE LYS A 49 11.925 -4.885 6.470 1.00 0.00 C ATOM 704 NZ LYS A 49 13.372 -4.566 6.614 1.00 0.00 N ATOM 0 H LYS A 49 13.264 -4.662 3.139 1.00 0.00 H new ATOM 0 HA LYS A 49 11.606 -3.328 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.547 -2.172 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.231 -3.895 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.584 -2.975 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.983 -2.661 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.425 -5.093 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.060 -5.383 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.342 -4.222 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.741 -5.903 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.693 -4.834 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.917 -5.095 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.518 -3.546 6.473 1.00 0.00 H new ATOM 718 N LEU A 50 12.601 -0.989 1.567 1.00 0.00 N ATOM 719 CA LEU A 50 13.419 0.219 1.549 1.00 0.00 C ATOM 720 C LEU A 50 12.553 1.465 1.706 1.00 0.00 C ATOM 721 O LEU A 50 11.427 1.519 1.209 1.00 0.00 O ATOM 722 CB LEU A 50 14.217 0.298 0.247 1.00 0.00 C ATOM 723 CG LEU A 50 14.983 1.600 0.008 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.232 1.340 -0.820 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.092 2.626 -0.676 1.00 0.00 C ATOM 0 H LEU A 50 11.682 -0.882 1.138 1.00 0.00 H new ATOM 0 HA LEU A 50 14.111 0.173 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.929 -0.527 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.531 0.145 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 50 15.289 2.001 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.764 2.278 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.880 0.641 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.948 0.915 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.654 3.546 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.755 2.233 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.228 2.835 -0.046 1.00 0.00 H new ATOM 737 N THR A 51 13.087 2.467 2.398 1.00 0.00 N ATOM 738 CA THR A 51 12.364 3.713 2.618 1.00 0.00 C ATOM 739 C THR A 51 12.618 4.704 1.488 1.00 0.00 C ATOM 740 O THR A 51 13.707 5.266 1.376 1.00 0.00 O ATOM 741 CB THR A 51 12.763 4.365 3.956 1.00 0.00 C ATOM 742 OG1 THR A 51 12.636 3.415 5.020 1.00 0.00 O ATOM 743 CG2 THR A 51 11.895 5.579 4.247 1.00 0.00 C ATOM 0 H THR A 51 14.017 2.440 2.815 1.00 0.00 H new ATOM 0 HA THR A 51 11.304 3.462 2.646 1.00 0.00 H new ATOM 0 HB THR A 51 13.801 4.690 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.175 3.707 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.196 6.022 5.196 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.016 6.312 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.850 5.274 4.304 1.00 0.00 H new ATOM 751 N TYR A 52 11.606 4.913 0.653 1.00 0.00 N ATOM 752 CA TYR A 52 11.721 5.835 -0.471 1.00 0.00 C ATOM 753 C TYR A 52 11.029 7.159 -0.161 1.00 0.00 C ATOM 754 O TYR A 52 9.829 7.197 0.110 1.00 0.00 O ATOM 755 CB TYR A 52 11.118 5.214 -1.731 1.00 0.00 C ATOM 756 CG TYR A 52 11.772 5.684 -3.011 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.865 7.037 -3.310 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.297 4.774 -3.920 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.461 7.471 -4.478 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.897 5.199 -5.090 1.00 0.00 C ATOM 761 CZ TYR A 52 12.976 6.548 -5.365 1.00 0.00 C ATOM 762 OH TYR A 52 13.572 6.976 -6.529 1.00 0.00 O ATOM 0 H TYR A 52 10.697 4.457 0.733 1.00 0.00 H new ATOM 0 HA TYR A 52 12.780 6.030 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.202 4.129 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.054 5.450 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.464 7.762 -2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.235 3.717 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.524 8.527 -4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.302 4.479 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 52 13.883 6.201 -7.042 1.00 0.00 H new ATOM 772 N SER A 53 11.795 8.245 -0.205 1.00 0.00 N ATOM 773 CA SER A 53 11.258 9.571 0.073 1.00 0.00 C ATOM 774 C SER A 53 10.964 10.321 -1.223 1.00 0.00 C ATOM 775 O SER A 53 11.880 10.732 -1.937 1.00 0.00 O ATOM 776 CB SER A 53 12.241 10.374 0.928 1.00 0.00 C ATOM 777 OG SER A 53 13.507 10.466 0.298 1.00 0.00 O ATOM 0 H SER A 53 12.790 8.232 -0.431 1.00 0.00 H new ATOM 0 HA SER A 53 10.324 9.450 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.844 11.374 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.350 9.901 1.904 1.00 0.00 H new ATOM 0 HG SER A 53 13.386 10.696 -0.647 1.00 0.00 H new ATOM 783 N HIS A 54 9.681 10.496 -1.520 1.00 0.00 N ATOM 784 CA HIS A 54 9.265 11.197 -2.730 1.00 0.00 C ATOM 785 C HIS A 54 8.448 12.439 -2.384 1.00 0.00 C ATOM 786 O HIS A 54 7.532 12.383 -1.565 1.00 0.00 O ATOM 787 CB HIS A 54 8.447 10.268 -3.627 1.00 0.00 C ATOM 788 CG HIS A 54 8.281 10.778 -5.025 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.352 11.735 -5.372 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.935 10.460 -6.167 1.00 0.00 C ATOM 791 CE1 HIS A 54 7.440 11.983 -6.667 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.394 11.222 -7.173 1.00 0.00 N ATOM 0 H HIS A 54 8.911 10.162 -0.940 1.00 0.00 H new ATOM 0 HA HIS A 54 10.161 11.510 -3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.930 9.291 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.462 10.122 -3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.734 9.740 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.835 12.688 -7.218 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.682 11.204 -8.151 1.00 0.00 H new ATOM 801 N GLY A 55 8.788 13.559 -3.015 1.00 0.00 N ATOM 802 CA GLY A 55 8.078 14.799 -2.760 1.00 0.00 C ATOM 803 C GLY A 55 7.750 14.988 -1.292 1.00 0.00 C ATOM 804 O GLY A 55 8.512 14.572 -0.420 1.00 0.00 O ATOM 0 H GLY A 55 9.542 13.630 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.683 15.638 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.155 14.812 -3.340 1.00 0.00 H new ATOM 808 N ASN A 56 6.613 15.619 -1.018 1.00 0.00 N ATOM 809 CA ASN A 56 6.188 15.865 0.356 1.00 0.00 C ATOM 810 C ASN A 56 5.377 14.690 0.892 1.00 0.00 C ATOM 811 O ASN A 56 4.365 14.877 1.569 1.00 0.00 O ATOM 812 CB ASN A 56 5.358 17.149 0.432 1.00 0.00 C ATOM 813 CG ASN A 56 6.219 18.397 0.385 1.00 0.00 C ATOM 814 OD1 ASN A 56 7.334 18.376 -0.136 1.00 0.00 O ATOM 815 ND2 ASN A 56 5.703 19.492 0.932 1.00 0.00 N ATOM 0 H ASN A 56 5.970 15.969 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 56 7.080 15.979 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.648 17.169 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.775 17.148 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.235 20.362 0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.774 19.463 1.353 1.00 0.00 H new ATOM 822 N TYR A 57 5.828 13.478 0.587 1.00 0.00 N ATOM 823 CA TYR A 57 5.144 12.272 1.037 1.00 0.00 C ATOM 824 C TYR A 57 6.122 11.109 1.172 1.00 0.00 C ATOM 825 O TYR A 57 7.088 11.003 0.415 1.00 0.00 O ATOM 826 CB TYR A 57 4.025 11.901 0.062 1.00 0.00 C ATOM 827 CG TYR A 57 2.802 12.782 0.179 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.730 13.997 -0.490 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.719 12.400 0.961 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.615 14.806 -0.385 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.599 13.201 1.071 1.00 0.00 C ATOM 832 CZ TYR A 57 0.552 14.403 0.396 1.00 0.00 C ATOM 833 OH TYR A 57 -0.561 15.205 0.504 1.00 0.00 O ATOM 0 H TYR A 57 6.665 13.305 0.030 1.00 0.00 H new ATOM 0 HA TYR A 57 4.711 12.475 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.408 11.959 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.734 10.865 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.560 14.315 -1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.753 11.460 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.576 15.748 -0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.235 12.888 1.682 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.218 14.775 1.090 1.00 0.00 H new ATOM 843 N LEU A 58 5.866 10.239 2.142 1.00 0.00 N ATOM 844 CA LEU A 58 6.722 9.082 2.378 1.00 0.00 C ATOM 845 C LEU A 58 6.214 7.863 1.615 1.00 0.00 C ATOM 846 O LEU A 58 5.040 7.505 1.707 1.00 0.00 O ATOM 847 CB LEU A 58 6.790 8.769 3.874 1.00 0.00 C ATOM 848 CG LEU A 58 7.395 9.858 4.761 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.253 9.490 6.230 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.858 10.083 4.404 1.00 0.00 C ATOM 0 H LEU A 58 5.072 10.313 2.778 1.00 0.00 H new ATOM 0 HA LEU A 58 7.722 9.322 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.780 8.560 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.370 7.856 4.008 1.00 0.00 H new ATOM 0 HG LEU A 58 6.852 10.787 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.689 10.276 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.197 9.379 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.771 8.550 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.273 10.861 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.415 9.157 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.935 10.392 3.362 1.00 0.00 H new ATOM 862 N PHE A 59 7.106 7.228 0.862 1.00 0.00 N ATOM 863 CA PHE A 59 6.749 6.048 0.084 1.00 0.00 C ATOM 864 C PHE A 59 7.363 4.790 0.690 1.00 0.00 C ATOM 865 O PHE A 59 8.501 4.432 0.387 1.00 0.00 O ATOM 866 CB PHE A 59 7.212 6.208 -1.366 1.00 0.00 C ATOM 867 CG PHE A 59 6.303 7.070 -2.195 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.011 8.367 -1.804 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.742 6.583 -3.364 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.174 9.161 -2.565 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.904 7.373 -4.129 1.00 0.00 C ATOM 872 CZ PHE A 59 4.621 8.665 -3.729 1.00 0.00 C ATOM 0 H PHE A 59 8.082 7.511 0.774 1.00 0.00 H new ATOM 0 HA PHE A 59 5.664 5.946 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.214 6.638 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.285 5.223 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.442 8.761 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.962 5.574 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.952 10.170 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.471 6.981 -5.038 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.969 9.286 -4.325 1.00 0.00 H new ATOM 882 N HIS A 60 6.600 4.122 1.550 1.00 0.00 N ATOM 883 CA HIS A 60 7.068 2.903 2.200 1.00 0.00 C ATOM 884 C HIS A 60 6.548 1.666 1.473 1.00 0.00 C ATOM 885 O HIS A 60 5.348 1.389 1.479 1.00 0.00 O ATOM 886 CB HIS A 60 6.621 2.875 3.662 1.00 0.00 C ATOM 887 CG HIS A 60 6.819 4.179 4.373 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.045 4.605 4.836 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.936 5.153 4.698 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.909 5.783 5.417 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.639 6.138 5.346 1.00 0.00 N ATOM 0 H HIS A 60 5.656 4.404 1.813 1.00 0.00 H new ATOM 0 HA HIS A 60 8.157 2.895 2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.566 2.603 3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.173 2.096 4.188 1.00 0.00 H new ATOM 0 HD1 HIS A 60 8.921 4.091 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.877 5.155 4.487 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.701 6.358 5.873 1.00 0.00 H new ATOM 900 N TYR A 61 7.458 0.927 0.849 1.00 0.00 N ATOM 901 CA TYR A 61 7.091 -0.279 0.115 1.00 0.00 C ATOM 902 C TYR A 61 7.740 -1.513 0.735 1.00 0.00 C ATOM 903 O TYR A 61 8.948 -1.540 0.971 1.00 0.00 O ATOM 904 CB TYR A 61 7.505 -0.154 -1.352 1.00 0.00 C ATOM 905 CG TYR A 61 8.949 -0.523 -1.607 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.347 -1.852 -1.668 1.00 0.00 C ATOM 907 CD2 TYR A 61 9.915 0.459 -1.789 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.665 -2.193 -1.900 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.235 0.128 -2.023 1.00 0.00 C ATOM 910 CZ TYR A 61 11.606 -1.200 -2.077 1.00 0.00 C ATOM 911 OH TYR A 61 12.920 -1.535 -2.310 1.00 0.00 O ATOM 0 H TYR A 61 8.455 1.141 0.836 1.00 0.00 H new ATOM 0 HA TYR A 61 6.008 -0.393 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.863 -0.793 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.337 0.871 -1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.613 -2.632 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.628 1.499 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.957 -3.232 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.973 0.904 -2.163 1.00 0.00 H new ATOM 0 HH TYR A 61 13.403 -0.751 -2.647 1.00 0.00 H new ATOM 921 N ILE A 62 6.928 -2.532 0.996 1.00 0.00 N ATOM 922 CA ILE A 62 7.422 -3.769 1.587 1.00 0.00 C ATOM 923 C ILE A 62 7.453 -4.895 0.559 1.00 0.00 C ATOM 924 O ILE A 62 6.461 -5.154 -0.123 1.00 0.00 O ATOM 925 CB ILE A 62 6.557 -4.206 2.784 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.591 -3.141 3.882 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.037 -5.545 3.323 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.673 -3.442 5.045 1.00 0.00 C ATOM 0 H ILE A 62 5.926 -2.525 0.807 1.00 0.00 H new ATOM 0 HA ILE A 62 8.435 -3.570 1.935 1.00 0.00 H new ATOM 0 HB ILE A 62 5.527 -4.320 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.612 -3.044 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.315 -2.178 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.416 -5.841 4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.966 -6.299 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.074 -5.456 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.749 -2.645 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.645 -3.510 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.962 -4.389 5.501 1.00 0.00 H new ATOM 940 N CYS A 63 8.597 -5.562 0.454 1.00 0.00 N ATOM 941 CA CYS A 63 8.757 -6.661 -0.491 1.00 0.00 C ATOM 942 C CYS A 63 8.741 -8.005 0.231 1.00 0.00 C ATOM 943 O CYS A 63 9.672 -8.336 0.965 1.00 0.00 O ATOM 944 CB CYS A 63 10.063 -6.504 -1.271 1.00 0.00 C ATOM 945 SG CYS A 63 10.060 -7.318 -2.886 1.00 0.00 S ATOM 0 H CYS A 63 9.427 -5.361 1.012 1.00 0.00 H new ATOM 0 HA CYS A 63 7.920 -6.633 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.264 -5.442 -1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.881 -6.907 -0.674 1.00 0.00 H new ATOM 0 HG CYS A 63 10.846 -8.353 -2.852 1.00 0.00 H new ATOM 951 N GLN A 64 7.677 -8.772 0.018 1.00 0.00 N ATOM 952 CA GLN A 64 7.539 -10.079 0.651 1.00 0.00 C ATOM 953 C GLN A 64 6.736 -11.029 -0.231 1.00 0.00 C ATOM 954 O GLN A 64 5.823 -10.608 -0.942 1.00 0.00 O ATOM 955 CB GLN A 64 6.865 -9.939 2.017 1.00 0.00 C ATOM 956 CG GLN A 64 5.347 -9.952 1.950 1.00 0.00 C ATOM 957 CD GLN A 64 4.779 -11.355 1.868 1.00 0.00 C ATOM 958 OE1 GLN A 64 3.839 -11.561 0.952 1.00 0.00 O flip ATOM 959 NE2 GLN A 64 5.179 -12.245 2.619 1.00 0.00 N flip ATOM 0 H GLN A 64 6.898 -8.512 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 64 8.537 -10.496 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.199 -10.751 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.192 -9.008 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.944 -9.452 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.020 -9.380 1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.903 -12.043 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.786 -13.184 2.551 1.00 0.00 H new ATOM 968 N ASP A 65 7.081 -12.310 -0.180 1.00 0.00 N ATOM 969 CA ASP A 65 6.391 -13.321 -0.973 1.00 0.00 C ATOM 970 C ASP A 65 6.274 -12.881 -2.429 1.00 0.00 C ATOM 971 O ASP A 65 5.288 -13.183 -3.102 1.00 0.00 O ATOM 972 CB ASP A 65 5.001 -13.592 -0.396 1.00 0.00 C ATOM 973 CG ASP A 65 4.506 -14.989 -0.711 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.350 -15.893 -0.884 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.274 -15.180 -0.786 1.00 0.00 O ATOM 0 H ASP A 65 7.835 -12.674 0.403 1.00 0.00 H new ATOM 0 HA ASP A 65 6.976 -14.240 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.026 -13.454 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.297 -12.862 -0.794 1.00 0.00 H new ATOM 980 N ARG A 66 7.286 -12.165 -2.909 1.00 0.00 N ATOM 981 CA ARG A 66 7.295 -11.682 -4.285 1.00 0.00 C ATOM 982 C ARG A 66 6.186 -10.658 -4.509 1.00 0.00 C ATOM 983 O ARG A 66 5.661 -10.530 -5.615 1.00 0.00 O ATOM 984 CB ARG A 66 7.131 -12.849 -5.259 1.00 0.00 C ATOM 985 CG ARG A 66 8.171 -13.943 -5.081 1.00 0.00 C ATOM 986 CD ARG A 66 9.472 -13.594 -5.787 1.00 0.00 C ATOM 987 NE ARG A 66 10.491 -14.623 -5.597 1.00 0.00 N ATOM 988 CZ ARG A 66 10.563 -15.730 -6.328 1.00 0.00 C ATOM 989 NH1 ARG A 66 9.681 -15.950 -7.293 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.519 -16.620 -6.095 1.00 0.00 N ATOM 0 H ARG A 66 8.110 -11.907 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 66 8.255 -11.198 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.138 -13.280 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.186 -12.470 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.362 -14.096 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.783 -14.883 -5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.283 -13.464 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.844 -12.641 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 66 11.185 -14.484 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.945 -15.268 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.739 -16.801 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.200 -16.455 -5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.573 -17.469 -6.657 1.00 0.00 H new ATOM 1004 N ILE A 67 5.834 -9.933 -3.452 1.00 0.00 N ATOM 1005 CA ILE A 67 4.788 -8.921 -3.534 1.00 0.00 C ATOM 1006 C ILE A 67 5.293 -7.568 -3.046 1.00 0.00 C ATOM 1007 O ILE A 67 6.144 -7.494 -2.159 1.00 0.00 O ATOM 1008 CB ILE A 67 3.551 -9.323 -2.710 1.00 0.00 C ATOM 1009 CG1 ILE A 67 3.142 -10.762 -3.031 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.400 -8.366 -2.982 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.479 -10.914 -4.383 1.00 0.00 C ATOM 0 H ILE A 67 6.258 -10.028 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 67 4.505 -8.843 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 67 3.804 -9.265 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.026 -11.399 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.460 -11.118 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.533 -8.663 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.696 -7.354 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.146 -8.395 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.216 -11.959 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.577 -10.303 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.166 -10.589 -5.164 1.00 0.00 H new ATOM 1023 N VAL A 68 4.762 -6.498 -3.630 1.00 0.00 N ATOM 1024 CA VAL A 68 5.156 -5.146 -3.252 1.00 0.00 C ATOM 1025 C VAL A 68 3.955 -4.335 -2.781 1.00 0.00 C ATOM 1026 O VAL A 68 2.981 -4.165 -3.515 1.00 0.00 O ATOM 1027 CB VAL A 68 5.831 -4.410 -4.425 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.209 -2.994 -4.020 1.00 0.00 C ATOM 1029 CG2 VAL A 68 7.052 -5.180 -4.905 1.00 0.00 C ATOM 0 H VAL A 68 4.058 -6.542 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 68 5.869 -5.241 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 68 5.121 -4.349 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.685 -2.490 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.312 -2.447 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.902 -3.029 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.516 -4.646 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.767 -5.274 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.749 -6.173 -5.238 1.00 0.00 H new ATOM 1039 N TYR A 69 4.030 -3.836 -1.553 1.00 0.00 N ATOM 1040 CA TYR A 69 2.948 -3.043 -0.982 1.00 0.00 C ATOM 1041 C TYR A 69 3.391 -1.601 -0.751 1.00 0.00 C ATOM 1042 O TYR A 69 4.014 -1.286 0.264 1.00 0.00 O ATOM 1043 CB TYR A 69 2.475 -3.660 0.335 1.00 0.00 C ATOM 1044 CG TYR A 69 2.203 -5.145 0.245 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.246 -6.057 0.139 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.904 -5.635 0.265 1.00 0.00 C ATOM 1047 CE1 TYR A 69 3.003 -7.414 0.056 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.651 -6.991 0.184 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.703 -7.876 0.079 1.00 0.00 C ATOM 1050 OH TYR A 69 1.455 -9.227 -0.004 1.00 0.00 O ATOM 0 H TYR A 69 4.829 -3.967 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 69 2.121 -3.040 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.230 -3.483 1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.567 -3.152 0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.265 -5.698 0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.077 -4.945 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.825 -8.109 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.365 -7.356 0.203 1.00 0.00 H new ATOM 0 HH TYR A 69 0.529 -9.407 0.263 1.00 0.00 H new ATOM 1060 N LEU A 70 3.065 -0.730 -1.699 1.00 0.00 N ATOM 1061 CA LEU A 70 3.428 0.679 -1.601 1.00 0.00 C ATOM 1062 C LEU A 70 2.296 1.492 -0.980 1.00 0.00 C ATOM 1063 O LEU A 70 1.123 1.136 -1.105 1.00 0.00 O ATOM 1064 CB LEU A 70 3.772 1.236 -2.984 1.00 0.00 C ATOM 1065 CG LEU A 70 4.345 2.653 -3.014 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.258 2.834 -4.216 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.223 3.681 -3.034 1.00 0.00 C ATOM 0 H LEU A 70 2.550 -0.975 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 70 4.303 0.758 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.490 0.565 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.870 1.217 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 70 4.935 2.806 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.656 3.849 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.081 2.121 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.692 2.662 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.649 4.684 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.607 3.530 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.609 3.567 -2.141 1.00 0.00 H new ATOM 1079 N CYS A 71 2.654 2.584 -0.315 1.00 0.00 N ATOM 1080 CA CYS A 71 1.668 3.448 0.324 1.00 0.00 C ATOM 1081 C CYS A 71 2.221 4.856 0.515 1.00 0.00 C ATOM 1082 O CYS A 71 3.410 5.035 0.783 1.00 0.00 O ATOM 1083 CB CYS A 71 1.246 2.865 1.674 1.00 0.00 C ATOM 1084 SG CYS A 71 2.516 2.976 2.955 1.00 0.00 S ATOM 0 H CYS A 71 3.620 2.892 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 71 0.796 3.505 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.352 3.384 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.974 1.818 1.537 1.00 0.00 H new ATOM 0 HG CYS A 71 3.408 3.855 2.607 1.00 0.00 H new ATOM 1090 N ILE A 72 1.352 5.851 0.375 1.00 0.00 N ATOM 1091 CA ILE A 72 1.755 7.244 0.532 1.00 0.00 C ATOM 1092 C ILE A 72 1.190 7.837 1.818 1.00 0.00 C ATOM 1093 O ILE A 72 -0.009 7.747 2.084 1.00 0.00 O ATOM 1094 CB ILE A 72 1.294 8.101 -0.661 1.00 0.00 C ATOM 1095 CG1 ILE A 72 2.081 7.728 -1.919 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.458 9.580 -0.346 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.435 6.629 -2.733 1.00 0.00 C ATOM 0 H ILE A 72 0.365 5.719 0.153 1.00 0.00 H new ATOM 0 HA ILE A 72 2.844 7.255 0.577 1.00 0.00 H new ATOM 0 HB ILE A 72 0.238 7.904 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.192 8.614 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.084 7.413 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.128 10.173 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.857 9.835 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.507 9.794 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.048 6.417 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.348 5.729 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.443 6.948 -3.053 1.00 0.00 H new ATOM 1109 N THR A 73 2.063 8.448 2.615 1.00 0.00 N ATOM 1110 CA THR A 73 1.652 9.058 3.873 1.00 0.00 C ATOM 1111 C THR A 73 2.258 10.447 4.034 1.00 0.00 C ATOM 1112 O THR A 73 3.051 10.889 3.203 1.00 0.00 O ATOM 1113 CB THR A 73 2.060 8.189 5.078 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.485 8.065 5.132 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.428 6.808 4.988 1.00 0.00 C ATOM 0 H THR A 73 3.059 8.533 2.411 1.00 0.00 H new ATOM 0 HA THR A 73 0.565 9.140 3.845 1.00 0.00 H new ATOM 0 HB THR A 73 1.704 8.675 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.736 7.513 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.730 6.213 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.342 6.905 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.758 6.316 4.073 1.00 0.00 H new ATOM 1123 N ASP A 74 1.881 11.131 5.109 1.00 0.00 N ATOM 1124 CA ASP A 74 2.390 12.471 5.380 1.00 0.00 C ATOM 1125 C ASP A 74 3.781 12.408 6.002 1.00 0.00 C ATOM 1126 O ASP A 74 4.081 11.509 6.787 1.00 0.00 O ATOM 1127 CB ASP A 74 1.436 13.223 6.310 1.00 0.00 C ATOM 1128 CG ASP A 74 1.808 14.684 6.462 1.00 0.00 C ATOM 1129 OD1 ASP A 74 1.998 15.360 5.428 1.00 0.00 O ATOM 1130 OD2 ASP A 74 1.910 15.153 7.615 1.00 0.00 O ATOM 0 H ASP A 74 1.225 10.780 5.807 1.00 0.00 H new ATOM 0 HA ASP A 74 2.459 13.006 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.420 13.148 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.438 12.747 7.290 1.00 0.00 H new ATOM 1135 N ASP A 75 4.627 13.368 5.644 1.00 0.00 N ATOM 1136 CA ASP A 75 5.987 13.423 6.167 1.00 0.00 C ATOM 1137 C ASP A 75 5.999 13.198 7.676 1.00 0.00 C ATOM 1138 O ASP A 75 6.694 12.314 8.176 1.00 0.00 O ATOM 1139 CB ASP A 75 6.631 14.770 5.834 1.00 0.00 C ATOM 1140 CG ASP A 75 6.306 15.836 6.862 1.00 0.00 C ATOM 1141 OD1 ASP A 75 6.912 15.812 7.954 1.00 0.00 O ATOM 1142 OD2 ASP A 75 5.447 16.695 6.574 1.00 0.00 O ATOM 0 H ASP A 75 4.395 14.119 4.994 1.00 0.00 H new ATOM 0 HA ASP A 75 6.563 12.627 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.712 14.647 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.290 15.100 4.853 1.00 0.00 H new ATOM 1147 N ASP A 76 5.226 14.005 8.395 1.00 0.00 N ATOM 1148 CA ASP A 76 5.148 13.895 9.847 1.00 0.00 C ATOM 1149 C ASP A 76 4.826 12.464 10.266 1.00 0.00 C ATOM 1150 O ASP A 76 5.423 11.931 11.202 1.00 0.00 O ATOM 1151 CB ASP A 76 4.088 14.851 10.396 1.00 0.00 C ATOM 1152 CG ASP A 76 4.452 16.306 10.175 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.637 16.655 10.357 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.551 17.096 9.821 1.00 0.00 O ATOM 0 H ASP A 76 4.645 14.742 7.996 1.00 0.00 H new ATOM 0 HA ASP A 76 6.119 14.166 10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.131 14.642 9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.957 14.670 11.463 1.00 0.00 H new ATOM 1159 N PHE A 77 3.877 11.847 9.569 1.00 0.00 N ATOM 1160 CA PHE A 77 3.473 10.479 9.871 1.00 0.00 C ATOM 1161 C PHE A 77 4.669 9.647 10.325 1.00 0.00 C ATOM 1162 O PHE A 77 5.720 9.653 9.685 1.00 0.00 O ATOM 1163 CB PHE A 77 2.825 9.834 8.644 1.00 0.00 C ATOM 1164 CG PHE A 77 1.987 8.631 8.972 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.858 8.752 9.765 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.330 7.379 8.486 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.085 7.647 10.068 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.560 6.271 8.786 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.437 6.405 9.579 1.00 0.00 C ATOM 0 H PHE A 77 3.373 12.273 8.791 1.00 0.00 H new ATOM 0 HA PHE A 77 2.746 10.511 10.683 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.203 10.574 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.606 9.543 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.578 9.721 10.151 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.208 7.268 7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.794 7.755 10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.836 5.301 8.400 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.164 5.540 9.816 1.00 0.00 H new ATOM 1179 N GLU A 78 4.499 8.933 11.434 1.00 0.00 N ATOM 1180 CA GLU A 78 5.565 8.098 11.974 1.00 0.00 C ATOM 1181 C GLU A 78 5.759 6.846 11.123 1.00 0.00 C ATOM 1182 O GLU A 78 4.810 6.107 10.861 1.00 0.00 O ATOM 1183 CB GLU A 78 5.250 7.702 13.418 1.00 0.00 C ATOM 1184 CG GLU A 78 6.273 6.757 14.027 1.00 0.00 C ATOM 1185 CD GLU A 78 7.624 7.414 14.233 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.758 8.205 15.190 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.546 7.138 13.438 1.00 0.00 O ATOM 0 H GLU A 78 3.634 8.916 11.975 1.00 0.00 H new ATOM 0 HA GLU A 78 6.489 8.676 11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.192 8.603 14.028 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.268 7.231 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.901 6.393 14.984 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.391 5.888 13.379 1.00 0.00 H new ATOM 1194 N ARG A 79 6.996 6.615 10.694 1.00 0.00 N ATOM 1195 CA ARG A 79 7.315 5.455 9.872 1.00 0.00 C ATOM 1196 C ARG A 79 6.663 4.194 10.433 1.00 0.00 C ATOM 1197 O ARG A 79 5.883 3.530 9.750 1.00 0.00 O ATOM 1198 CB ARG A 79 8.831 5.264 9.788 1.00 0.00 C ATOM 1199 CG ARG A 79 9.493 6.112 8.715 1.00 0.00 C ATOM 1200 CD ARG A 79 10.749 5.447 8.175 1.00 0.00 C ATOM 1201 NE ARG A 79 11.939 5.831 8.929 1.00 0.00 N ATOM 1202 CZ ARG A 79 13.039 5.089 8.993 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.101 3.931 8.351 1.00 0.00 N ATOM 1204 NH2 ARG A 79 14.082 5.507 9.701 1.00 0.00 N ATOM 0 H ARG A 79 7.793 7.216 10.902 1.00 0.00 H new ATOM 0 HA ARG A 79 6.922 5.632 8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.273 5.506 10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.046 4.213 9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.790 6.282 7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.746 7.089 9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.630 4.364 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.881 5.718 7.127 1.00 0.00 H new ATOM 0 HE ARG A 79 11.925 6.717 9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.302 3.607 7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.947 3.364 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.038 6.398 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.927 4.937 9.750 1.00 0.00 H new ATOM 1218 N SER A 80 6.989 3.871 11.680 1.00 0.00 N ATOM 1219 CA SER A 80 6.439 2.688 12.332 1.00 0.00 C ATOM 1220 C SER A 80 4.963 2.514 11.986 1.00 0.00 C ATOM 1221 O SER A 80 4.517 1.414 11.658 1.00 0.00 O ATOM 1222 CB SER A 80 6.610 2.790 13.849 1.00 0.00 C ATOM 1223 OG SER A 80 5.842 1.803 14.516 1.00 0.00 O ATOM 0 H SER A 80 7.631 4.412 12.259 1.00 0.00 H new ATOM 0 HA SER A 80 6.985 1.817 11.970 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.662 2.673 14.108 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.307 3.781 14.187 1.00 0.00 H new ATOM 0 HG SER A 80 5.970 1.888 15.484 1.00 0.00 H new ATOM 1229 N ARG A 81 4.212 3.607 12.060 1.00 0.00 N ATOM 1230 CA ARG A 81 2.786 3.577 11.756 1.00 0.00 C ATOM 1231 C ARG A 81 2.539 2.999 10.366 1.00 0.00 C ATOM 1232 O ARG A 81 1.869 1.978 10.217 1.00 0.00 O ATOM 1233 CB ARG A 81 2.193 4.984 11.849 1.00 0.00 C ATOM 1234 CG ARG A 81 2.407 5.648 13.199 1.00 0.00 C ATOM 1235 CD ARG A 81 1.368 5.196 14.213 1.00 0.00 C ATOM 1236 NE ARG A 81 1.857 5.306 15.585 1.00 0.00 N ATOM 1237 CZ ARG A 81 1.365 4.604 16.599 1.00 0.00 C ATOM 1238 NH1 ARG A 81 0.375 3.746 16.397 1.00 0.00 N ATOM 1239 NH2 ARG A 81 1.864 4.760 17.819 1.00 0.00 N ATOM 0 H ARG A 81 4.567 4.525 12.328 1.00 0.00 H new ATOM 0 HA ARG A 81 2.297 2.936 12.489 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.636 5.608 11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.124 4.932 11.645 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.405 5.411 13.568 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.359 6.731 13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.466 5.798 14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.089 4.162 14.010 1.00 0.00 H new ATOM 0 HE ARG A 81 2.618 5.958 15.775 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.011 3.624 15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.001 3.208 17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.626 5.419 17.978 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.486 4.220 18.598 1.00 0.00 H new ATOM 1253 N ALA A 82 3.085 3.661 9.350 1.00 0.00 N ATOM 1254 CA ALA A 82 2.925 3.213 7.973 1.00 0.00 C ATOM 1255 C ALA A 82 3.204 1.719 7.845 1.00 0.00 C ATOM 1256 O ALA A 82 2.337 0.948 7.434 1.00 0.00 O ATOM 1257 CB ALA A 82 3.842 4.003 7.051 1.00 0.00 C ATOM 0 H ALA A 82 3.642 4.509 9.456 1.00 0.00 H new ATOM 0 HA ALA A 82 1.891 3.390 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.712 3.658 6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.594 5.063 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.878 3.855 7.355 1.00 0.00 H new ATOM 1263 N PHE A 83 4.420 1.317 8.199 1.00 0.00 N ATOM 1264 CA PHE A 83 4.814 -0.085 8.123 1.00 0.00 C ATOM 1265 C PHE A 83 3.816 -0.972 8.861 1.00 0.00 C ATOM 1266 O PHE A 83 3.424 -2.028 8.368 1.00 0.00 O ATOM 1267 CB PHE A 83 6.214 -0.276 8.710 1.00 0.00 C ATOM 1268 CG PHE A 83 7.311 0.248 7.827 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.461 -0.224 6.533 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.191 1.212 8.291 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.470 0.256 5.719 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.201 1.696 7.482 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.340 1.218 6.193 1.00 0.00 C ATOM 0 H PHE A 83 5.150 1.942 8.541 1.00 0.00 H new ATOM 0 HA PHE A 83 4.825 -0.376 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.266 0.225 9.676 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.381 -1.338 8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.782 -0.975 6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.086 1.590 9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.578 -0.121 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.881 2.447 7.857 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.127 1.596 5.558 1.00 0.00 H new ATOM 1283 N ASN A 84 3.409 -0.533 10.048 1.00 0.00 N ATOM 1284 CA ASN A 84 2.457 -1.287 10.856 1.00 0.00 C ATOM 1285 C ASN A 84 1.243 -1.696 10.027 1.00 0.00 C ATOM 1286 O ASN A 84 0.975 -2.884 9.844 1.00 0.00 O ATOM 1287 CB ASN A 84 2.009 -0.456 12.061 1.00 0.00 C ATOM 1288 CG ASN A 84 1.498 -1.318 13.199 1.00 0.00 C ATOM 1289 OD1 ASN A 84 0.312 -1.642 13.264 1.00 0.00 O ATOM 1290 ND2 ASN A 84 2.394 -1.694 14.105 1.00 0.00 N ATOM 0 H ASN A 84 3.723 0.340 10.471 1.00 0.00 H new ATOM 0 HA ASN A 84 2.954 -2.190 11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.845 0.148 12.413 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.225 0.235 11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.109 -2.274 14.894 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.367 -1.402 14.012 1.00 0.00 H new ATOM 1297 N PHE A 85 0.514 -0.704 9.526 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.672 -0.961 8.717 1.00 0.00 C ATOM 1299 C PHE A 85 -0.332 -1.846 7.521 1.00 0.00 C ATOM 1300 O PHE A 85 -1.002 -2.848 7.266 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.280 0.358 8.233 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.066 0.224 6.961 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.379 -0.218 6.985 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.493 0.541 5.740 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.105 -0.342 5.816 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.214 0.419 4.567 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.522 -0.023 4.605 1.00 0.00 C ATOM 0 H PHE A 85 0.723 0.284 9.666 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.400 -1.483 9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.930 0.757 9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.481 1.084 8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.840 -0.469 7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.471 0.888 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.128 -0.688 5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.755 0.669 3.622 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.088 -0.119 3.690 1.00 0.00 H new ATOM 1317 N LEU A 86 0.711 -1.468 6.790 1.00 0.00 N ATOM 1318 CA LEU A 86 1.140 -2.226 5.620 1.00 0.00 C ATOM 1319 C LEU A 86 1.291 -3.707 5.956 1.00 0.00 C ATOM 1320 O LEU A 86 0.778 -4.570 5.245 1.00 0.00 O ATOM 1321 CB LEU A 86 2.464 -1.675 5.088 1.00 0.00 C ATOM 1322 CG LEU A 86 2.403 -0.290 4.442 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.804 0.225 4.152 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.574 -0.333 3.167 1.00 0.00 C ATOM 0 H LEU A 86 1.275 -0.641 6.987 1.00 0.00 H new ATOM 0 HA LEU A 86 0.375 -2.123 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.177 -1.639 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.859 -2.379 4.355 1.00 0.00 H new ATOM 0 HG LEU A 86 1.923 0.396 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.741 1.211 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.366 0.294 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.310 -0.460 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.541 0.661 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.025 -1.032 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.561 -0.658 3.403 1.00 0.00 H new ATOM 1336 N ASN A 87 1.997 -3.992 7.045 1.00 0.00 N ATOM 1337 CA ASN A 87 2.214 -5.368 7.476 1.00 0.00 C ATOM 1338 C ASN A 87 0.886 -6.074 7.731 1.00 0.00 C ATOM 1339 O ASN A 87 0.687 -7.213 7.309 1.00 0.00 O ATOM 1340 CB ASN A 87 3.072 -5.399 8.743 1.00 0.00 C ATOM 1341 CG ASN A 87 4.550 -5.245 8.444 1.00 0.00 C ATOM 1342 OD1 ASN A 87 4.934 -4.607 7.464 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.389 -5.831 9.291 1.00 0.00 N ATOM 0 H ASN A 87 2.428 -3.289 7.645 1.00 0.00 H new ATOM 0 HA ASN A 87 2.738 -5.894 6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.755 -4.600 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.906 -6.340 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.396 -5.762 9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.027 -6.350 10.091 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.019 -5.390 8.423 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.328 -5.952 8.733 1.00 0.00 C ATOM 1352 C GLU A 88 -2.007 -6.480 7.473 1.00 0.00 C ATOM 1353 O GLU A 88 -2.186 -7.688 7.311 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.216 -4.898 9.400 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.721 -4.464 10.769 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.763 -3.682 11.545 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.680 -4.314 12.109 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -2.662 -2.438 11.587 1.00 0.00 O ATOM 0 H GLU A 88 0.130 -4.446 8.780 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.183 -6.784 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.278 -4.024 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.226 -5.295 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.431 -5.345 11.342 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.827 -3.852 10.651 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.381 -5.567 6.583 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.039 -5.940 5.337 1.00 0.00 C ATOM 1367 C ILE A 89 -2.151 -6.855 4.499 1.00 0.00 C ATOM 1368 O ILE A 89 -2.631 -7.797 3.868 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.411 -4.700 4.503 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.191 -3.793 4.326 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.552 -3.941 5.163 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.439 -2.620 3.403 1.00 0.00 C ATOM 0 H ILE A 89 -2.240 -4.564 6.702 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.951 -6.471 5.609 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.742 -5.028 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.882 -3.418 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.363 -4.384 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.804 -3.067 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.424 -4.591 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.247 -3.620 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.532 -2.021 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.718 -2.987 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.246 -2.006 3.803 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.853 -6.572 4.499 1.00 0.00 N ATOM 1385 CA LYS A 90 0.104 -7.370 3.742 1.00 0.00 C ATOM 1386 C LYS A 90 -0.033 -8.851 4.081 1.00 0.00 C ATOM 1387 O LYS A 90 -0.024 -9.705 3.195 1.00 0.00 O ATOM 1388 CB LYS A 90 1.532 -6.901 4.031 1.00 0.00 C ATOM 1389 CG LYS A 90 2.600 -7.792 3.422 1.00 0.00 C ATOM 1390 CD LYS A 90 3.986 -7.427 3.928 1.00 0.00 C ATOM 1391 CE LYS A 90 4.426 -8.343 5.059 1.00 0.00 C ATOM 1392 NZ LYS A 90 3.865 -7.913 6.371 1.00 0.00 N ATOM 0 H LYS A 90 -0.439 -5.796 5.015 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.109 -7.236 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.656 -5.887 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.680 -6.857 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.387 -8.834 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.573 -7.703 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.702 -7.490 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.988 -6.393 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.108 -9.363 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.514 -8.354 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.188 -8.563 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.189 -6.949 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.826 -7.927 6.326 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.162 -9.149 5.370 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.305 -10.526 5.827 1.00 0.00 C ATOM 1408 C LYS A 91 -1.681 -11.078 5.470 1.00 0.00 C ATOM 1409 O LYS A 91 -1.816 -12.245 5.102 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.087 -10.608 7.339 1.00 0.00 C ATOM 1411 CG LYS A 91 1.376 -10.593 7.745 1.00 0.00 C ATOM 1412 CD LYS A 91 1.986 -11.984 7.685 1.00 0.00 C ATOM 1413 CE LYS A 91 1.678 -12.783 8.942 1.00 0.00 C ATOM 1414 NZ LYS A 91 0.399 -13.535 8.822 1.00 0.00 N ATOM 0 H LYS A 91 -0.170 -8.454 6.117 1.00 0.00 H new ATOM 0 HA LYS A 91 0.450 -11.130 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.596 -9.771 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.550 -11.520 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.930 -9.923 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.470 -10.197 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.602 -12.513 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.066 -11.904 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.492 -13.481 9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.624 -12.109 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.498 -14.463 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.363 -13.000 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.167 -13.668 7.817 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.700 -10.232 5.578 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.065 -10.635 5.266 1.00 0.00 C ATOM 1430 C ARG A 92 -4.196 -11.020 3.796 1.00 0.00 C ATOM 1431 O ARG A 92 -4.928 -11.946 3.448 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.042 -9.506 5.598 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.585 -9.567 7.017 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.894 -8.804 7.146 1.00 0.00 C ATOM 1435 NE ARG A 92 -8.051 -9.653 6.876 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.624 -10.428 7.791 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.149 -10.460 9.028 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -9.674 -11.172 7.469 1.00 0.00 N ATOM 0 H ARG A 92 -2.605 -9.262 5.880 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.307 -11.506 5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.542 -8.549 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.876 -9.541 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.739 -10.607 7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.851 -9.151 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.975 -8.390 8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.893 -7.962 6.454 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.441 -9.651 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.342 -9.889 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.590 -11.056 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.043 -11.150 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.113 -11.766 8.172 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.482 -10.301 2.936 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.519 -10.565 1.502 1.00 0.00 C ATOM 1454 C PHE A 93 -2.793 -11.866 1.170 1.00 0.00 C ATOM 1455 O PHE A 93 -3.350 -12.750 0.520 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.887 -9.405 0.732 1.00 0.00 C ATOM 1457 CG PHE A 93 -2.927 -9.582 -0.759 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.079 -9.293 -1.474 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -1.814 -10.039 -1.447 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.120 -9.455 -2.846 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -1.849 -10.202 -2.819 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.004 -9.911 -3.519 1.00 0.00 C ATOM 0 H PHE A 93 -2.871 -9.531 3.207 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.562 -10.665 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.403 -8.481 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.850 -9.291 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.955 -8.937 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.909 -10.270 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.024 -9.225 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.974 -10.557 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.034 -10.040 -4.591 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.548 -11.974 1.621 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.745 -13.165 1.371 1.00 0.00 C ATOM 1474 C GLN A 94 -1.318 -14.372 2.108 1.00 0.00 C ATOM 1475 O GLN A 94 -1.083 -15.517 1.722 1.00 0.00 O ATOM 1476 CB GLN A 94 0.704 -12.930 1.801 1.00 0.00 C ATOM 1477 CG GLN A 94 0.899 -12.934 3.309 1.00 0.00 C ATOM 1478 CD GLN A 94 2.217 -12.315 3.728 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.503 -11.124 3.214 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 2.972 -12.900 4.506 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.073 -11.251 2.162 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.769 -13.370 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.335 -13.701 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.042 -11.974 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.080 -12.389 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.851 -13.960 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.713 -13.814 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.856 -12.470 4.779 1.00 0.00 H new ATOM 1489 N THR A 95 -2.070 -14.107 3.171 1.00 0.00 N ATOM 1490 CA THR A 95 -2.674 -15.170 3.964 1.00 0.00 C ATOM 1491 C THR A 95 -4.075 -15.501 3.462 1.00 0.00 C ATOM 1492 O THR A 95 -4.526 -16.643 3.553 1.00 0.00 O ATOM 1493 CB THR A 95 -2.752 -14.786 5.453 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.433 -14.636 5.990 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.511 -15.841 6.245 1.00 0.00 C ATOM 0 H THR A 95 -2.275 -13.165 3.503 1.00 0.00 H new ATOM 0 HA THR A 95 -2.035 -16.047 3.856 1.00 0.00 H new ATOM 0 HB THR A 95 -3.286 -13.839 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.112 -13.726 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.553 -15.548 7.294 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.524 -15.932 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.000 -16.800 6.156 1.00 0.00 H new ATOM 1503 N THR A 96 -4.762 -14.494 2.931 1.00 0.00 N ATOM 1504 CA THR A 96 -6.112 -14.678 2.415 1.00 0.00 C ATOM 1505 C THR A 96 -6.106 -14.822 0.897 1.00 0.00 C ATOM 1506 O THR A 96 -6.432 -15.883 0.364 1.00 0.00 O ATOM 1507 CB THR A 96 -7.027 -13.501 2.803 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.962 -13.275 4.216 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.466 -13.777 2.395 1.00 0.00 C ATOM 0 H THR A 96 -4.405 -13.542 2.847 1.00 0.00 H new ATOM 0 HA THR A 96 -6.499 -15.593 2.863 1.00 0.00 H new ATOM 0 HB THR A 96 -6.681 -12.612 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.189 -12.709 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.093 -12.932 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.517 -13.920 1.316 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.820 -14.677 2.897 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.733 -13.750 0.207 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.686 -13.758 -1.250 1.00 0.00 C ATOM 1519 C TYR A 97 -4.247 -13.856 -1.748 1.00 0.00 C ATOM 1520 O TYR A 97 -3.883 -13.245 -2.752 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.346 -12.496 -1.809 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.643 -12.135 -1.120 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.683 -13.051 -1.030 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.827 -10.878 -0.557 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.870 -12.726 -0.402 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.009 -10.544 0.074 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.028 -11.471 0.149 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.208 -11.143 0.777 1.00 0.00 O ATOM 0 H TYR A 97 -5.459 -12.865 0.633 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.233 -14.633 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.651 -11.661 -1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.536 -12.637 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.562 -14.035 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.032 -10.150 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.669 -13.450 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.135 -9.562 0.506 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.156 -10.223 1.111 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.433 -14.631 -1.038 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.044 -14.796 -1.422 1.00 0.00 C ATOM 1540 C GLY A 98 -1.879 -15.707 -2.623 1.00 0.00 C ATOM 1541 O GLY A 98 -1.395 -15.281 -3.672 1.00 0.00 O ATOM 0 H GLY A 98 -3.711 -15.148 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.614 -13.820 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.484 -15.204 -0.581 1.00 0.00 H new ATOM 1545 N SER A 99 -2.280 -16.965 -2.469 1.00 0.00 N ATOM 1546 CA SER A 99 -2.169 -17.940 -3.547 1.00 0.00 C ATOM 1547 C SER A 99 -2.665 -17.351 -4.865 1.00 0.00 C ATOM 1548 O SER A 99 -1.967 -17.394 -5.878 1.00 0.00 O ATOM 1549 CB SER A 99 -2.965 -19.201 -3.207 1.00 0.00 C ATOM 1550 OG SER A 99 -2.358 -19.916 -2.145 1.00 0.00 O ATOM 0 H SER A 99 -2.685 -17.333 -1.608 1.00 0.00 H new ATOM 0 HA SER A 99 -1.117 -18.203 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.984 -18.928 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.034 -19.840 -4.087 1.00 0.00 H new ATOM 0 HG SER A 99 -2.887 -20.717 -1.946 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.875 -16.803 -4.842 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.466 -16.207 -6.034 1.00 0.00 C ATOM 1558 C ARG A 100 -3.570 -15.105 -6.592 1.00 0.00 C ATOM 1559 O ARG A 100 -3.450 -14.945 -7.807 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.851 -15.640 -5.714 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.961 -16.676 -5.771 1.00 0.00 C ATOM 1562 CD ARG A 100 -6.886 -17.639 -4.597 1.00 0.00 C ATOM 1563 NE ARG A 100 -7.824 -18.750 -4.739 1.00 0.00 N ATOM 1564 CZ ARG A 100 -7.691 -19.909 -4.104 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -6.665 -20.109 -3.288 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -8.586 -20.872 -4.284 1.00 0.00 N ATOM 0 H ARG A 100 -4.465 -16.759 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.566 -16.987 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.831 -15.195 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.077 -14.838 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.929 -16.174 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.892 -17.234 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.872 -18.029 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.098 -17.101 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.624 -18.629 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.975 -19.372 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.566 -21.000 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.377 -20.723 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.483 -21.762 -3.796 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.944 -14.348 -5.697 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.059 -13.263 -6.100 1.00 0.00 C ATOM 1582 C ALA A 101 -0.967 -13.765 -7.039 1.00 0.00 C ATOM 1583 O ALA A 101 -0.278 -12.974 -7.682 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.442 -12.603 -4.876 1.00 0.00 C ATOM 0 H ALA A 101 -3.034 -14.467 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.653 -12.524 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.783 -11.794 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.232 -12.201 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.868 -13.341 -4.315 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.816 -15.083 -7.112 1.00 0.00 N ATOM 1591 CA GLN A 102 0.194 -15.690 -7.972 1.00 0.00 C ATOM 1592 C GLN A 102 -0.406 -16.091 -9.315 1.00 0.00 C ATOM 1593 O GLN A 102 0.265 -16.040 -10.347 1.00 0.00 O ATOM 1594 CB GLN A 102 0.809 -16.912 -7.288 1.00 0.00 C ATOM 1595 CG GLN A 102 1.408 -16.610 -5.925 1.00 0.00 C ATOM 1596 CD GLN A 102 2.587 -15.661 -6.003 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.499 -15.850 -6.809 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.576 -14.631 -5.165 1.00 0.00 N ATOM 0 H GLN A 102 -1.380 -15.751 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 102 0.976 -14.952 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.043 -17.679 -7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.584 -17.327 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.641 -16.178 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.727 -17.542 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.800 -14.512 -4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.343 -13.959 -5.173 1.00 0.00 H new ATOM 1607 N THR A 103 -1.674 -16.491 -9.297 1.00 0.00 N ATOM 1608 CA THR A 103 -2.363 -16.903 -10.513 1.00 0.00 C ATOM 1609 C THR A 103 -3.470 -15.919 -10.877 1.00 0.00 C ATOM 1610 O THR A 103 -3.481 -15.362 -11.974 1.00 0.00 O ATOM 1611 CB THR A 103 -2.971 -18.310 -10.365 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.838 -18.352 -9.226 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.879 -19.359 -10.216 1.00 0.00 C ATOM 0 H THR A 103 -2.244 -16.538 -8.453 1.00 0.00 H new ATOM 0 HA THR A 103 -1.618 -16.919 -11.309 1.00 0.00 H new ATOM 0 HB THR A 103 -3.544 -18.530 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.222 -19.250 -9.140 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.333 -20.345 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.238 -19.345 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.282 -19.140 -9.330 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.399 -15.711 -9.950 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.508 -14.792 -10.173 1.00 0.00 C ATOM 1623 C ALA A 104 -5.051 -13.556 -10.940 1.00 0.00 C ATOM 1624 O ALA A 104 -3.889 -13.154 -10.882 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.136 -14.391 -8.847 1.00 0.00 C ATOM 0 H ALA A 104 -4.406 -16.167 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.257 -15.305 -10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.963 -13.704 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.508 -15.280 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.388 -13.901 -8.224 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.986 -12.938 -11.678 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.702 -11.738 -12.471 1.00 0.00 C ATOM 1633 C PRO A 105 -5.440 -10.515 -11.599 1.00 0.00 C ATOM 1634 O PRO A 105 -5.653 -10.530 -10.386 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.979 -11.546 -13.293 1.00 0.00 C ATOM 1636 CG PRO A 105 -8.048 -12.202 -12.490 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.391 -13.362 -11.794 1.00 0.00 C ATOM 0 HA PRO A 105 -4.803 -11.853 -13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.194 -10.489 -13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.888 -12.002 -14.279 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.477 -11.506 -11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.863 -12.541 -13.129 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.836 -13.549 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.487 -14.283 -12.370 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.969 -9.428 -12.228 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.670 -8.175 -11.528 1.00 0.00 C ATOM 1647 C PRO A 106 -5.930 -7.468 -11.042 1.00 0.00 C ATOM 1648 O PRO A 106 -5.858 -6.516 -10.264 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.962 -7.334 -12.593 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.460 -7.869 -13.891 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.693 -9.338 -13.672 1.00 0.00 C ATOM 0 HA PRO A 106 -4.074 -8.342 -10.631 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.199 -6.276 -12.484 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.879 -7.428 -12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.380 -7.369 -14.192 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.733 -7.704 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.531 -9.705 -14.265 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.821 -9.929 -13.952 1.00 0.00 H new ATOM 1659 N TYR A 107 -7.083 -7.938 -11.504 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.359 -7.349 -11.117 1.00 0.00 C ATOM 1661 C TYR A 107 -9.351 -8.428 -10.693 1.00 0.00 C ATOM 1662 O TYR A 107 -10.492 -8.453 -11.154 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.939 -6.533 -12.273 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.490 -5.089 -12.281 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.139 -4.762 -12.304 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -9.415 -4.052 -12.263 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.724 -3.444 -12.310 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.008 -2.732 -12.271 1.00 0.00 C ATOM 1669 CZ TYR A 107 -7.662 -2.433 -12.294 1.00 0.00 C ATOM 1670 OH TYR A 107 -7.253 -1.119 -12.300 1.00 0.00 O ATOM 0 H TYR A 107 -7.160 -8.726 -12.147 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.183 -6.689 -10.268 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.652 -6.999 -13.216 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.027 -6.566 -12.220 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.402 -5.551 -12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.470 -4.282 -12.242 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.671 -3.207 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.740 -1.938 -12.259 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.038 -0.532 -12.288 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.907 -9.318 -9.812 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.755 -10.398 -9.323 1.00 0.00 C ATOM 1682 C ALA A 108 -10.296 -10.084 -7.932 1.00 0.00 C ATOM 1683 O ALA A 108 -11.495 -10.203 -7.681 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.984 -11.709 -9.309 1.00 0.00 C ATOM 0 H ALA A 108 -7.964 -9.312 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.603 -10.496 -10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.629 -12.507 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.652 -11.947 -10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.117 -11.614 -8.656 1.00 0.00 H new ATOM 1690 N MET A 109 -9.404 -9.684 -7.032 1.00 0.00 N ATOM 1691 CA MET A 109 -9.793 -9.354 -5.666 1.00 0.00 C ATOM 1692 C MET A 109 -9.779 -7.844 -5.447 1.00 0.00 C ATOM 1693 O MET A 109 -9.131 -7.347 -4.527 1.00 0.00 O ATOM 1694 CB MET A 109 -8.855 -10.034 -4.667 1.00 0.00 C ATOM 1695 CG MET A 109 -7.405 -9.601 -4.802 1.00 0.00 C ATOM 1696 SD MET A 109 -6.510 -10.549 -6.048 1.00 0.00 S ATOM 1697 CE MET A 109 -6.383 -12.140 -5.237 1.00 0.00 C ATOM 0 H MET A 109 -8.408 -9.581 -7.224 1.00 0.00 H new ATOM 0 HA MET A 109 -10.808 -9.718 -5.506 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.197 -9.818 -3.655 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.917 -11.114 -4.801 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.368 -8.543 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.906 -9.711 -3.839 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.135 -12.905 -5.973 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.602 -12.100 -4.478 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.335 -12.385 -4.766 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.497 -7.120 -6.299 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.566 -5.667 -6.199 1.00 0.00 C ATOM 1709 C ASN A 110 -11.634 -5.241 -5.196 1.00 0.00 C ATOM 1710 O ASN A 110 -11.352 -4.510 -4.247 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.863 -5.054 -7.569 1.00 0.00 C ATOM 1712 CG ASN A 110 -12.191 -5.519 -8.135 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -13.211 -4.847 -7.986 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -12.183 -6.675 -8.788 1.00 0.00 N ATOM 0 H ASN A 110 -11.039 -7.516 -7.067 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.599 -5.305 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.868 -3.967 -7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.064 -5.316 -8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.046 -7.039 -9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.313 -7.199 -8.887 1.00 0.00 H new ATOM 1721 N SER A 111 -12.861 -5.704 -5.414 1.00 0.00 N ATOM 1722 CA SER A 111 -13.972 -5.368 -4.532 1.00 0.00 C ATOM 1723 C SER A 111 -13.715 -5.877 -3.116 1.00 0.00 C ATOM 1724 O SER A 111 -13.657 -5.097 -2.166 1.00 0.00 O ATOM 1725 CB SER A 111 -15.275 -5.962 -5.070 1.00 0.00 C ATOM 1726 OG SER A 111 -15.650 -5.345 -6.290 1.00 0.00 O ATOM 0 H SER A 111 -13.110 -6.313 -6.194 1.00 0.00 H new ATOM 0 HA SER A 111 -14.062 -4.282 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.154 -7.034 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.069 -5.833 -4.334 1.00 0.00 H new ATOM 0 HG SER A 111 -14.853 -5.200 -6.842 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.561 -7.191 -2.986 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.311 -7.805 -1.687 1.00 0.00 C ATOM 1734 C GLU A 112 -12.251 -7.027 -0.913 1.00 0.00 C ATOM 1735 O GLU A 112 -12.480 -6.603 0.221 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.867 -9.259 -1.862 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.997 -10.199 -2.243 1.00 0.00 C ATOM 1738 CD GLU A 112 -15.040 -10.332 -1.150 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.915 -9.447 -1.055 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -14.980 -11.321 -0.390 1.00 0.00 O ATOM 0 H GLU A 112 -13.605 -7.850 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.241 -7.783 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.094 -9.304 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.415 -9.606 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.475 -9.837 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.586 -11.183 -2.469 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.090 -6.843 -1.533 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.993 -6.118 -0.902 1.00 0.00 C ATOM 1749 C PHE A 113 -10.382 -4.666 -0.638 1.00 0.00 C ATOM 1750 O PHE A 113 -9.954 -4.067 0.349 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.745 -6.170 -1.785 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.460 -6.163 -1.008 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.120 -7.232 -0.194 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.592 -5.086 -1.090 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.938 -7.228 0.522 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.408 -5.076 -0.376 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.082 -6.148 0.432 1.00 0.00 C ATOM 0 H PHE A 113 -10.884 -7.186 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.775 -6.597 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.783 -7.068 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.754 -5.317 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.787 -8.078 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.843 -4.245 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.684 -8.068 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.739 -4.231 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.159 -6.142 0.993 1.00 0.00 H new ATOM 1767 N SER A 114 -11.196 -4.106 -1.528 1.00 0.00 N ATOM 1768 CA SER A 114 -11.639 -2.724 -1.394 1.00 0.00 C ATOM 1769 C SER A 114 -12.272 -2.486 -0.026 1.00 0.00 C ATOM 1770 O SER A 114 -11.976 -1.496 0.643 1.00 0.00 O ATOM 1771 CB SER A 114 -12.640 -2.378 -2.498 1.00 0.00 C ATOM 1772 OG SER A 114 -12.912 -0.987 -2.523 1.00 0.00 O ATOM 0 H SER A 114 -11.562 -4.589 -2.349 1.00 0.00 H new ATOM 0 HA SER A 114 -10.766 -2.078 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.244 -2.692 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.566 -2.930 -2.339 1.00 0.00 H new ATOM 0 HG SER A 114 -12.217 -0.527 -3.038 1.00 0.00 H new ATOM 1778 N SER A 115 -13.144 -3.402 0.383 1.00 0.00 N ATOM 1779 CA SER A 115 -13.822 -3.291 1.669 1.00 0.00 C ATOM 1780 C SER A 115 -12.855 -3.562 2.818 1.00 0.00 C ATOM 1781 O SER A 115 -12.821 -2.824 3.802 1.00 0.00 O ATOM 1782 CB SER A 115 -14.997 -4.268 1.736 1.00 0.00 C ATOM 1783 OG SER A 115 -14.562 -5.603 1.542 1.00 0.00 O ATOM 0 H SER A 115 -13.397 -4.229 -0.158 1.00 0.00 H new ATOM 0 HA SER A 115 -14.199 -2.273 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.492 -4.180 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.734 -4.008 0.976 1.00 0.00 H new ATOM 0 HG SER A 115 -13.767 -5.608 0.970 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.071 -4.627 2.685 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.102 -4.996 3.710 1.00 0.00 C ATOM 1791 C VAL A 116 -10.159 -3.838 4.018 1.00 0.00 C ATOM 1792 O VAL A 116 -9.942 -3.492 5.180 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.272 -6.220 3.282 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.235 -6.560 4.342 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.179 -7.411 3.011 1.00 0.00 C ATOM 0 H VAL A 116 -12.088 -5.250 1.877 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.669 -5.246 4.606 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.746 -5.975 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.658 -7.428 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.566 -5.711 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.737 -6.785 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.575 -8.267 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.734 -7.659 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.878 -7.162 2.213 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.602 -3.242 2.969 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.682 -2.121 3.127 1.00 0.00 C ATOM 1807 C LEU A 117 -9.371 -0.942 3.807 1.00 0.00 C ATOM 1808 O LEU A 117 -8.873 -0.407 4.797 1.00 0.00 O ATOM 1809 CB LEU A 117 -8.134 -1.690 1.765 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.844 -2.375 1.313 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.447 -1.901 -0.077 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.724 -2.111 2.308 1.00 0.00 C ATOM 0 H LEU A 117 -9.771 -3.516 2.001 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.855 -2.448 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.901 -1.873 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.961 -0.614 1.789 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.021 -3.450 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.527 -2.399 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.241 -2.141 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.288 -0.823 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.813 -2.606 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.548 -1.038 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.007 -2.500 3.286 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.519 -0.544 3.269 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.278 0.568 3.827 1.00 0.00 C ATOM 1826 C ALA A 118 -11.379 0.458 5.345 1.00 0.00 C ATOM 1827 O ALA A 118 -11.215 1.446 6.060 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.667 0.623 3.207 1.00 0.00 C ATOM 0 H ALA A 118 -10.944 -0.975 2.448 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.749 1.491 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.223 1.458 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.579 0.758 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.195 -0.308 3.414 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.651 -0.749 5.829 1.00 0.00 N ATOM 1835 CA ALA A 119 -11.772 -0.988 7.262 1.00 0.00 C ATOM 1836 C ALA A 119 -10.428 -0.823 7.962 1.00 0.00 C ATOM 1837 O ALA A 119 -10.351 -0.257 9.052 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.336 -2.378 7.519 1.00 0.00 C ATOM 0 H ALA A 119 -11.792 -1.577 5.250 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.458 -0.247 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.421 -2.543 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.321 -2.462 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.670 -3.126 7.088 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.371 -1.320 7.328 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.029 -1.228 7.892 1.00 0.00 C ATOM 1846 C GLN A 120 -7.587 0.227 8.010 1.00 0.00 C ATOM 1847 O GLN A 120 -7.101 0.657 9.057 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.035 -2.007 7.029 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.294 -3.505 7.005 1.00 0.00 C ATOM 1850 CD GLN A 120 -6.882 -4.189 8.294 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -5.811 -4.790 8.377 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -7.733 -4.100 9.309 1.00 0.00 N ATOM 0 H GLN A 120 -9.418 -1.790 6.424 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.051 -1.664 8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.073 -1.624 6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.026 -1.827 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.354 -3.684 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.751 -3.951 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.610 -3.592 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.510 -4.540 10.202 1.00 0.00 H new ATOM 1861 N LEU A 121 -7.758 0.981 6.929 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.376 2.389 6.911 1.00 0.00 C ATOM 1863 C LEU A 121 -8.159 3.179 7.954 1.00 0.00 C ATOM 1864 O LEU A 121 -7.580 3.762 8.871 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.612 2.983 5.521 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.439 2.893 4.545 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.941 2.832 3.111 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.497 4.074 4.732 1.00 0.00 C ATOM 0 H LEU A 121 -8.158 0.641 6.055 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.315 2.456 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.470 2.481 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.882 4.033 5.637 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.887 1.977 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.092 2.768 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.574 1.954 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.517 3.730 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.668 3.993 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.038 5.003 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.110 4.073 5.751 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.480 3.193 7.810 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.345 3.908 8.741 1.00 0.00 C ATOM 1882 C LYS A 122 -10.007 3.547 10.184 1.00 0.00 C ATOM 1883 O LYS A 122 -9.769 4.424 11.014 1.00 0.00 O ATOM 1884 CB LYS A 122 -11.813 3.588 8.454 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.264 3.995 7.061 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.586 3.345 6.691 1.00 0.00 C ATOM 1887 CE LYS A 122 -13.936 3.586 5.230 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.314 3.123 4.906 1.00 0.00 N ATOM 0 H LYS A 122 -9.975 2.717 7.056 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.180 4.977 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -11.974 2.517 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.437 4.094 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.364 5.079 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.503 3.713 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.531 2.273 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.378 3.742 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.848 4.649 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.219 3.066 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -15.514 3.305 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.391 2.103 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.000 3.637 5.494 1.00 0.00 H new ATOM 1902 N HIS A 123 -9.987 2.250 10.475 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.676 1.773 11.818 1.00 0.00 C ATOM 1904 C HIS A 123 -8.388 2.407 12.335 1.00 0.00 C ATOM 1905 O HIS A 123 -8.372 3.027 13.398 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.547 0.250 11.824 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.101 -0.308 13.140 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -9.710 0.007 14.337 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -8.100 -1.168 13.444 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -9.102 -0.633 15.319 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -8.122 -1.353 14.804 1.00 0.00 N ATOM 0 H HIS A 123 -10.182 1.511 9.799 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.493 2.063 12.478 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.509 -0.189 11.560 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.838 -0.049 11.053 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.413 -1.623 12.746 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.362 -0.577 16.366 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.485 -1.950 15.331 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.309 2.245 11.576 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.015 2.801 11.958 1.00 0.00 C ATOM 1922 C HIS A 124 -6.107 4.313 12.141 1.00 0.00 C ATOM 1923 O HIS A 124 -5.960 4.823 13.252 1.00 0.00 O ATOM 1924 CB HIS A 124 -4.961 2.467 10.902 1.00 0.00 C ATOM 1925 CG HIS A 124 -3.554 2.614 11.393 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -2.474 2.767 10.549 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -3.052 2.633 12.650 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -1.369 2.872 11.265 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -1.693 2.794 12.544 1.00 0.00 N ATOM 0 H HIS A 124 -7.305 1.734 10.693 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.721 2.354 12.908 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.113 1.443 10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.105 3.116 10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.616 2.539 13.566 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -0.371 3.000 10.872 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -1.039 2.845 13.325 1.00 0.00 H new