USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot 126:sc= 1.09 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 9 SER OG : rot -45:sc= 1 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-0.79) USER MOD Single : A 18 THR OG1 : rot -32:sc= 0.326 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 43 SER OG : rot -1:sc= 0.734 USER MOD Single : A 44 TYR OH : rot 30:sc= -1.11! USER MOD Single : A 45 THR OG1 : rot 141:sc= 1.01 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.46 F(o=-1.2,f=-0.46) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.000482 X(o=-0.00048,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.322 F(o=-1.4,f=-0.32) USER MOD Single : A 58 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.3!) USER MOD Single : A 59 ASN : amide:sc= -5.1! C(o=-5.1!,f=-7.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 67 THR OG1 : rot -173:sc= -0.323 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 5:sc= -1.04 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 1.02 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= -2.54! USER MOD Single : A 95 SER OG : rot 173:sc= 1.23 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 120:sc= -0.064 USER MOD Single : A 100 THR OG1 : rot -145:sc= -0.109 USER MOD Single : A 101 MET CE :methyl 148:sc= -0.65 (180deg=-1.94) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.159 -14.378 -4.089 1.00 0.00 N ATOM 67 CA PRO A 8 -4.531 -13.870 -4.188 1.00 0.00 C ATOM 68 C PRO A 8 -4.797 -13.177 -5.520 1.00 0.00 C ATOM 69 O PRO A 8 -3.890 -12.610 -6.128 1.00 0.00 O ATOM 70 CB PRO A 8 -4.622 -12.867 -3.035 1.00 0.00 C ATOM 71 CG PRO A 8 -3.217 -12.429 -2.802 1.00 0.00 C ATOM 72 CD PRO A 8 -2.355 -13.621 -3.115 1.00 0.00 C ATOM 0 HA PRO A 8 -5.268 -14.671 -4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.262 -12.023 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.046 -13.327 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.961 -11.584 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.075 -12.105 -1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.394 -13.323 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.145 -14.211 -2.223 1.00 0.00 H new ATOM 80 N SER A 9 -6.048 -13.227 -5.968 1.00 0.00 N ATOM 81 CA SER A 9 -6.433 -12.606 -7.230 1.00 0.00 C ATOM 82 C SER A 9 -7.460 -11.502 -7.001 1.00 0.00 C ATOM 83 O SER A 9 -8.443 -11.392 -7.732 1.00 0.00 O ATOM 84 CB SER A 9 -7.001 -13.657 -8.186 1.00 0.00 C ATOM 85 OG SER A 9 -7.395 -13.068 -9.414 1.00 0.00 O ATOM 0 H SER A 9 -6.812 -13.691 -5.476 1.00 0.00 H new ATOM 0 HA SER A 9 -5.543 -12.162 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.252 -14.427 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.857 -14.149 -7.724 1.00 0.00 H new ATOM 0 HG SER A 9 -7.900 -12.247 -9.236 1.00 0.00 H new ATOM 91 N GLY A 10 -7.223 -10.685 -5.979 1.00 0.00 N ATOM 92 CA GLY A 10 -8.136 -9.599 -5.671 1.00 0.00 C ATOM 93 C GLY A 10 -7.541 -8.601 -4.697 1.00 0.00 C ATOM 94 O GLY A 10 -7.330 -8.917 -3.525 1.00 0.00 O ATOM 0 H GLY A 10 -6.416 -10.756 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.408 -9.085 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.055 -10.009 -5.251 1.00 0.00 H new ATOM 98 N PHE A 11 -7.269 -7.394 -5.181 1.00 0.00 N ATOM 99 CA PHE A 11 -6.693 -6.347 -4.345 1.00 0.00 C ATOM 100 C PHE A 11 -7.732 -5.792 -3.375 1.00 0.00 C ATOM 101 O PHE A 11 -8.938 -5.868 -3.608 1.00 0.00 O ATOM 102 CB PHE A 11 -6.137 -5.218 -5.215 1.00 0.00 C ATOM 103 CG PHE A 11 -7.089 -4.760 -6.283 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.182 -5.441 -7.486 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.892 -3.649 -6.083 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.057 -5.021 -8.470 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.769 -3.224 -7.064 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.852 -3.912 -8.258 1.00 0.00 C ATOM 0 H PHE A 11 -7.438 -7.116 -6.148 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.879 -6.785 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.883 -4.371 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.212 -5.553 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.564 -6.310 -7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.832 -3.108 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.119 -5.560 -9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.388 -2.355 -6.896 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.538 -3.583 -9.025 1.00 0.00 H new ATOM 118 N PRO A 12 -7.253 -5.221 -2.259 1.00 0.00 N ATOM 119 CA PRO A 12 -8.123 -4.643 -1.231 1.00 0.00 C ATOM 120 C PRO A 12 -8.812 -3.368 -1.705 1.00 0.00 C ATOM 121 O PRO A 12 -8.531 -2.869 -2.794 1.00 0.00 O ATOM 122 CB PRO A 12 -7.158 -4.334 -0.083 1.00 0.00 C ATOM 123 CG PRO A 12 -5.832 -4.161 -0.740 1.00 0.00 C ATOM 124 CD PRO A 12 -5.826 -5.097 -1.916 1.00 0.00 C ATOM 0 HA PRO A 12 -8.933 -5.318 -0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.455 -3.432 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.136 -5.145 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.688 -3.130 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.021 -4.396 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.246 -4.695 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.389 -6.062 -1.660 1.00 0.00 H new ATOM 132 N GLN A 13 -9.714 -2.846 -0.880 1.00 0.00 N ATOM 133 CA GLN A 13 -10.443 -1.629 -1.216 1.00 0.00 C ATOM 134 C GLN A 13 -10.326 -0.598 -0.098 1.00 0.00 C ATOM 135 O GLN A 13 -9.675 -0.840 0.917 1.00 0.00 O ATOM 136 CB GLN A 13 -11.916 -1.948 -1.480 1.00 0.00 C ATOM 137 CG GLN A 13 -12.144 -3.337 -2.054 1.00 0.00 C ATOM 138 CD GLN A 13 -13.314 -3.385 -3.017 1.00 0.00 C ATOM 139 OE1 GLN A 13 -14.473 -3.344 -2.606 1.00 0.00 O ATOM 140 NE2 GLN A 13 -13.015 -3.474 -4.308 1.00 0.00 N ATOM 0 H GLN A 13 -9.957 -3.247 0.026 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.002 -1.209 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.472 -1.853 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.322 -1.208 -2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.241 -3.666 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.320 -4.039 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.040 -3.505 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.761 -3.511 -5.003 1.00 0.00 H new ATOM 149 N ASN A 14 -10.962 0.553 -0.293 1.00 0.00 N ATOM 150 CA ASN A 14 -10.928 1.622 0.699 1.00 0.00 C ATOM 151 C ASN A 14 -9.498 2.096 0.939 1.00 0.00 C ATOM 152 O ASN A 14 -9.159 2.554 2.031 1.00 0.00 O ATOM 153 CB ASN A 14 -11.546 1.145 2.015 1.00 0.00 C ATOM 154 CG ASN A 14 -13.039 1.406 2.081 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.520 2.098 2.979 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.779 0.853 1.127 1.00 0.00 N ATOM 0 H ASN A 14 -11.507 0.769 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.510 2.459 0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.361 0.077 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.055 1.649 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.789 0.994 1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.337 0.287 0.403 1.00 0.00 H new ATOM 163 N LEU A 15 -8.664 1.985 -0.089 1.00 0.00 N ATOM 164 CA LEU A 15 -7.270 2.404 0.009 1.00 0.00 C ATOM 165 C LEU A 15 -7.153 3.924 -0.041 1.00 0.00 C ATOM 166 O LEU A 15 -7.427 4.545 -1.068 1.00 0.00 O ATOM 167 CB LEU A 15 -6.449 1.781 -1.122 1.00 0.00 C ATOM 168 CG LEU A 15 -4.930 1.864 -0.973 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.485 1.223 0.332 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.241 1.201 -2.157 1.00 0.00 C ATOM 0 H LEU A 15 -8.928 1.609 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.879 2.059 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.728 0.731 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.729 2.266 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.643 2.915 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.401 1.292 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.951 1.742 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.784 0.175 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.160 1.270 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.535 0.153 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.534 1.705 -3.078 1.00 0.00 H new ATOM 182 N HIS A 16 -6.741 4.518 1.075 1.00 0.00 N ATOM 183 CA HIS A 16 -6.585 5.965 1.158 1.00 0.00 C ATOM 184 C HIS A 16 -5.838 6.359 2.429 1.00 0.00 C ATOM 185 O HIS A 16 -5.393 5.501 3.191 1.00 0.00 O ATOM 186 CB HIS A 16 -7.952 6.650 1.123 1.00 0.00 C ATOM 187 CG HIS A 16 -8.958 6.025 2.039 1.00 0.00 C ATOM 188 ND1 HIS A 16 -10.015 5.263 1.588 1.00 0.00 N ATOM 189 CD2 HIS A 16 -9.064 6.052 3.388 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.729 4.849 2.620 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.172 5.314 3.724 1.00 0.00 N ATOM 0 H HIS A 16 -6.509 4.019 1.934 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.001 6.292 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.830 7.699 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.336 6.625 0.103 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.401 6.560 4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.616 4.235 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.510 5.151 4.672 1.00 0.00 H new ATOM 200 N VAL A 17 -5.704 7.663 2.651 1.00 0.00 N ATOM 201 CA VAL A 17 -5.011 8.171 3.829 1.00 0.00 C ATOM 202 C VAL A 17 -5.988 8.819 4.803 1.00 0.00 C ATOM 203 O VAL A 17 -6.812 9.649 4.415 1.00 0.00 O ATOM 204 CB VAL A 17 -3.929 9.197 3.445 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.230 9.726 4.688 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.926 8.578 2.483 1.00 0.00 C ATOM 0 H VAL A 17 -6.066 8.387 2.030 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.535 7.316 4.310 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.410 10.036 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.469 10.450 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.960 10.208 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.760 8.899 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.168 9.317 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.448 7.721 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.442 8.252 1.580 1.00 0.00 H new ATOM 216 N THR A 18 -5.891 8.436 6.073 1.00 0.00 N ATOM 217 CA THR A 18 -6.766 8.980 7.104 1.00 0.00 C ATOM 218 C THR A 18 -6.149 10.212 7.755 1.00 0.00 C ATOM 219 O THR A 18 -6.832 10.970 8.444 1.00 0.00 O ATOM 220 CB THR A 18 -7.068 7.934 8.194 1.00 0.00 C ATOM 221 OG1 THR A 18 -8.009 8.463 9.134 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.794 7.525 8.919 1.00 0.00 C ATOM 0 H THR A 18 -5.215 7.751 6.412 1.00 0.00 H new ATOM 0 HA THR A 18 -7.697 9.261 6.612 1.00 0.00 H new ATOM 0 HB THR A 18 -7.493 7.053 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.883 9.432 9.213 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.032 6.786 9.684 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.091 7.095 8.205 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.345 8.401 9.388 1.00 0.00 H new ATOM 230 N GLY A 19 -4.853 10.407 7.533 1.00 0.00 N ATOM 231 CA GLY A 19 -4.166 11.550 8.105 1.00 0.00 C ATOM 232 C GLY A 19 -2.705 11.608 7.705 1.00 0.00 C ATOM 233 O GLY A 19 -1.829 11.195 8.466 1.00 0.00 O ATOM 0 H GLY A 19 -4.266 9.794 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.663 12.466 7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.241 11.508 9.192 1.00 0.00 H new ATOM 237 N LEU A 20 -2.440 12.120 6.508 1.00 0.00 N ATOM 238 CA LEU A 20 -1.074 12.228 6.008 1.00 0.00 C ATOM 239 C LEU A 20 -0.264 13.212 6.846 1.00 0.00 C ATOM 240 O LEU A 20 -0.791 13.850 7.758 1.00 0.00 O ATOM 241 CB LEU A 20 -1.080 12.672 4.544 1.00 0.00 C ATOM 242 CG LEU A 20 -1.105 14.181 4.300 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.020 14.483 2.812 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.361 14.798 4.900 1.00 0.00 C ATOM 0 H LEU A 20 -3.153 12.467 5.866 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.607 11.246 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.196 12.260 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.948 12.231 4.055 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.237 14.623 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.039 15.562 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.092 14.076 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.868 14.028 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.362 15.872 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.242 14.351 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.380 14.613 5.974 1.00 0.00 H new ATOM 256 N THR A 21 1.021 13.333 6.529 1.00 0.00 N ATOM 257 CA THR A 21 1.905 14.240 7.251 1.00 0.00 C ATOM 258 C THR A 21 2.995 14.790 6.338 1.00 0.00 C ATOM 259 O THR A 21 3.393 14.142 5.369 1.00 0.00 O ATOM 260 CB THR A 21 2.564 13.542 8.455 1.00 0.00 C ATOM 261 OG1 THR A 21 1.700 12.517 8.960 1.00 0.00 O ATOM 262 CG2 THR A 21 2.872 14.542 9.559 1.00 0.00 C ATOM 0 H THR A 21 1.473 12.814 5.776 1.00 0.00 H new ATOM 0 HA THR A 21 1.287 15.063 7.610 1.00 0.00 H new ATOM 0 HB THR A 21 3.500 13.095 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.185 11.666 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.337 14.025 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.553 15.304 9.180 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.947 15.014 9.891 1.00 0.00 H new ATOM 270 N THR A 22 3.475 15.989 6.652 1.00 0.00 N ATOM 271 CA THR A 22 4.519 16.626 5.860 1.00 0.00 C ATOM 272 C THR A 22 5.592 15.621 5.455 1.00 0.00 C ATOM 273 O THR A 22 5.970 15.539 4.286 1.00 0.00 O ATOM 274 CB THR A 22 5.181 17.784 6.630 1.00 0.00 C ATOM 275 OG1 THR A 22 5.692 17.312 7.881 1.00 0.00 O ATOM 276 CG2 THR A 22 4.187 18.909 6.874 1.00 0.00 C ATOM 0 H THR A 22 3.157 16.539 7.450 1.00 0.00 H new ATOM 0 HA THR A 22 4.039 17.022 4.965 1.00 0.00 H new ATOM 0 HB THR A 22 6.002 18.170 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.113 18.054 8.363 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.677 19.716 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.822 19.286 5.918 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.348 18.533 7.459 1.00 0.00 H new ATOM 284 N SER A 23 6.079 14.858 6.428 1.00 0.00 N ATOM 285 CA SER A 23 7.112 13.860 6.172 1.00 0.00 C ATOM 286 C SER A 23 6.513 12.457 6.130 1.00 0.00 C ATOM 287 O SER A 23 6.837 11.657 5.253 1.00 0.00 O ATOM 288 CB SER A 23 8.197 13.932 7.248 1.00 0.00 C ATOM 289 OG SER A 23 9.113 14.980 6.980 1.00 0.00 O ATOM 0 H SER A 23 5.775 14.911 7.400 1.00 0.00 H new ATOM 0 HA SER A 23 7.558 14.075 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.736 14.088 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.730 12.982 7.296 1.00 0.00 H new ATOM 0 HG SER A 23 9.795 15.006 7.683 1.00 0.00 H new ATOM 295 N THR A 24 5.636 12.166 7.087 1.00 0.00 N ATOM 296 CA THR A 24 4.992 10.861 7.161 1.00 0.00 C ATOM 297 C THR A 24 3.610 10.893 6.520 1.00 0.00 C ATOM 298 O THR A 24 3.042 11.962 6.296 1.00 0.00 O ATOM 299 CB THR A 24 4.859 10.382 8.619 1.00 0.00 C ATOM 300 OG1 THR A 24 3.839 11.131 9.289 1.00 0.00 O ATOM 301 CG2 THR A 24 6.178 10.536 9.362 1.00 0.00 C ATOM 0 H THR A 24 5.356 12.817 7.821 1.00 0.00 H new ATOM 0 HA THR A 24 5.627 10.164 6.614 1.00 0.00 H new ATOM 0 HB THR A 24 4.587 9.326 8.608 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.759 10.820 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.059 10.191 10.389 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.946 9.942 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.475 11.585 9.363 1.00 0.00 H new ATOM 309 N THR A 25 3.070 9.713 6.228 1.00 0.00 N ATOM 310 CA THR A 25 1.754 9.606 5.612 1.00 0.00 C ATOM 311 C THR A 25 1.000 8.388 6.134 1.00 0.00 C ATOM 312 O THR A 25 1.442 7.253 5.960 1.00 0.00 O ATOM 313 CB THR A 25 1.856 9.514 4.078 1.00 0.00 C ATOM 314 OG1 THR A 25 2.011 10.822 3.518 1.00 0.00 O ATOM 315 CG2 THR A 25 0.620 8.849 3.492 1.00 0.00 C ATOM 0 H THR A 25 3.525 8.818 6.409 1.00 0.00 H new ATOM 0 HA THR A 25 1.207 10.510 5.878 1.00 0.00 H new ATOM 0 HB THR A 25 2.727 8.908 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.077 10.755 2.543 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.715 8.795 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.522 7.842 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.264 9.432 3.750 1.00 0.00 H new ATOM 323 N GLU A 26 -0.139 8.632 6.774 1.00 0.00 N ATOM 324 CA GLU A 26 -0.953 7.553 7.321 1.00 0.00 C ATOM 325 C GLU A 26 -1.751 6.861 6.220 1.00 0.00 C ATOM 326 O GLU A 26 -1.932 7.408 5.131 1.00 0.00 O ATOM 327 CB GLU A 26 -1.904 8.093 8.392 1.00 0.00 C ATOM 328 CG GLU A 26 -1.233 8.338 9.733 1.00 0.00 C ATOM 329 CD GLU A 26 -2.214 8.307 10.890 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.685 7.204 11.239 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.509 9.385 11.445 1.00 0.00 O ATOM 0 H GLU A 26 -0.519 9.566 6.926 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.283 6.822 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.343 9.026 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.723 7.387 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.463 7.583 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.731 9.305 9.713 1.00 0.00 H new ATOM 338 N LEU A 27 -2.225 5.654 6.510 1.00 0.00 N ATOM 339 CA LEU A 27 -3.003 4.885 5.544 1.00 0.00 C ATOM 340 C LEU A 27 -4.093 4.079 6.243 1.00 0.00 C ATOM 341 O LEU A 27 -4.010 3.812 7.441 1.00 0.00 O ATOM 342 CB LEU A 27 -2.089 3.950 4.752 1.00 0.00 C ATOM 343 CG LEU A 27 -0.888 4.605 4.068 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.036 3.548 3.484 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.351 5.569 2.986 1.00 0.00 C ATOM 0 H LEU A 27 -2.084 5.187 7.406 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.478 5.585 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.720 3.177 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.687 3.449 3.990 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.332 5.170 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.885 4.033 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.395 2.898 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.508 2.954 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.483 6.026 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.931 5.027 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.971 6.346 3.432 1.00 0.00 H new ATOM 357 N ALA A 28 -5.113 3.691 5.484 1.00 0.00 N ATOM 358 CA ALA A 28 -6.217 2.911 6.029 1.00 0.00 C ATOM 359 C ALA A 28 -7.047 2.282 4.915 1.00 0.00 C ATOM 360 O ALA A 28 -7.790 2.972 4.217 1.00 0.00 O ATOM 361 CB ALA A 28 -7.094 3.784 6.914 1.00 0.00 C ATOM 0 H ALA A 28 -5.197 3.904 4.490 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.797 2.106 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.914 3.188 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.499 4.182 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.497 4.609 6.326 1.00 0.00 H new ATOM 367 N TRP A 29 -6.915 0.970 4.754 1.00 0.00 N ATOM 368 CA TRP A 29 -7.654 0.249 3.723 1.00 0.00 C ATOM 369 C TRP A 29 -8.385 -0.951 4.316 1.00 0.00 C ATOM 370 O TRP A 29 -8.301 -1.208 5.517 1.00 0.00 O ATOM 371 CB TRP A 29 -6.705 -0.213 2.616 1.00 0.00 C ATOM 372 CG TRP A 29 -5.660 -1.176 3.092 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.733 -2.540 3.072 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.388 -0.849 3.661 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.582 -3.080 3.594 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.741 -2.064 3.962 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.731 0.352 3.944 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.472 -2.110 4.532 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.471 0.304 4.510 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.852 -0.919 4.799 1.00 0.00 C ATOM 0 H TRP A 29 -6.304 0.384 5.323 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.393 0.928 3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.286 -0.682 1.822 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.215 0.658 2.181 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.572 -3.110 2.701 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.386 -4.076 3.691 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.199 1.300 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.993 -3.052 4.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.954 1.226 4.733 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.867 -0.922 5.241 1.00 0.00 H new ATOM 391 N ASP A 30 -9.100 -1.680 3.467 1.00 0.00 N ATOM 392 CA ASP A 30 -9.845 -2.854 3.908 1.00 0.00 C ATOM 393 C ASP A 30 -9.467 -4.079 3.081 1.00 0.00 C ATOM 394 O ASP A 30 -8.898 -3.974 1.995 1.00 0.00 O ATOM 395 CB ASP A 30 -11.349 -2.598 3.805 1.00 0.00 C ATOM 396 CG ASP A 30 -11.932 -2.044 5.090 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.772 -0.831 5.340 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.548 -2.823 5.846 1.00 0.00 O ATOM 0 H ASP A 30 -9.180 -1.479 2.470 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.588 -3.047 4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.540 -1.898 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.856 -3.529 3.551 1.00 0.00 H new ATOM 403 N PRO A 31 -9.789 -5.271 3.607 1.00 0.00 N ATOM 404 CA PRO A 31 -9.492 -6.539 2.935 1.00 0.00 C ATOM 405 C PRO A 31 -10.346 -6.748 1.689 1.00 0.00 C ATOM 406 O PRO A 31 -11.347 -6.065 1.471 1.00 0.00 O ATOM 407 CB PRO A 31 -9.827 -7.590 3.996 1.00 0.00 C ATOM 408 CG PRO A 31 -10.830 -6.930 4.879 1.00 0.00 C ATOM 409 CD PRO A 31 -10.468 -5.471 4.899 1.00 0.00 C ATOM 0 HA PRO A 31 -8.461 -6.583 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.233 -8.495 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.939 -7.884 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.841 -7.076 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.803 -7.352 5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.351 -4.839 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.815 -5.230 5.738 1.00 0.00 H new ATOM 417 N PRO A 32 -9.944 -7.715 0.851 1.00 0.00 N ATOM 418 CA PRO A 32 -10.660 -8.038 -0.387 1.00 0.00 C ATOM 419 C PRO A 32 -12.011 -8.693 -0.122 1.00 0.00 C ATOM 420 O PRO A 32 -12.100 -9.684 0.604 1.00 0.00 O ATOM 421 CB PRO A 32 -9.720 -9.016 -1.095 1.00 0.00 C ATOM 422 CG PRO A 32 -8.922 -9.635 0.000 1.00 0.00 C ATOM 423 CD PRO A 32 -8.761 -8.569 1.048 1.00 0.00 C ATOM 0 HA PRO A 32 -10.888 -7.146 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.278 -9.768 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.078 -8.501 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.430 -10.509 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.952 -9.972 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.734 -8.993 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.835 -8.010 0.914 1.00 0.00 H new ATOM 560 N ILE A 41 -5.682 -14.389 3.956 1.00 0.00 N ATOM 561 CA ILE A 41 -4.747 -13.274 4.031 1.00 0.00 C ATOM 562 C ILE A 41 -3.839 -13.399 5.249 1.00 0.00 C ATOM 563 O ILE A 41 -4.262 -13.868 6.306 1.00 0.00 O ATOM 564 CB ILE A 41 -5.486 -11.923 4.091 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.625 -11.894 3.071 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.516 -10.778 3.844 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.191 -12.262 1.669 1.00 0.00 C ATOM 0 HA ILE A 41 -4.142 -13.308 3.125 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.913 -11.803 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.407 -12.582 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.064 -10.896 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.053 -9.830 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.737 -10.791 4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.063 -10.891 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.050 -12.220 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.430 -11.560 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.779 -13.271 1.669 1.00 0.00 H new ATOM 579 N ILE A 42 -2.590 -12.974 5.094 1.00 0.00 N ATOM 580 CA ILE A 42 -1.622 -13.036 6.183 1.00 0.00 C ATOM 581 C ILE A 42 -1.004 -11.667 6.447 1.00 0.00 C ATOM 582 O ILE A 42 -0.707 -11.319 7.590 1.00 0.00 O ATOM 583 CB ILE A 42 -0.498 -14.045 5.881 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.075 -13.800 4.483 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.018 -15.469 6.004 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.141 -14.796 4.084 1.00 0.00 C ATOM 0 H ILE A 42 -2.224 -12.583 4.226 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.165 -13.364 7.069 1.00 0.00 H new ATOM 0 HB ILE A 42 0.301 -13.906 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.736 -13.837 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.495 -12.795 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.212 -16.171 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.383 -15.637 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.832 -15.622 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.501 -14.561 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.970 -14.744 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.721 -15.802 4.092 1.00 0.00 H new ATOM 598 N SER A 43 -0.813 -10.894 5.383 1.00 0.00 N ATOM 599 CA SER A 43 -0.229 -9.564 5.499 1.00 0.00 C ATOM 600 C SER A 43 -0.361 -8.796 4.187 1.00 0.00 C ATOM 601 O SER A 43 -0.824 -9.336 3.182 1.00 0.00 O ATOM 602 CB SER A 43 1.245 -9.664 5.898 1.00 0.00 C ATOM 603 OG SER A 43 1.381 -10.062 7.251 1.00 0.00 O ATOM 0 H SER A 43 -1.055 -11.167 4.430 1.00 0.00 H new ATOM 0 HA SER A 43 -0.772 -9.022 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.752 -10.381 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.732 -8.700 5.748 1.00 0.00 H new ATOM 0 HG SER A 43 0.493 -10.168 7.652 1.00 0.00 H new ATOM 609 N TYR A 44 0.049 -7.532 4.205 1.00 0.00 N ATOM 610 CA TYR A 44 -0.026 -6.688 3.019 1.00 0.00 C ATOM 611 C TYR A 44 1.280 -5.927 2.809 1.00 0.00 C ATOM 612 O TYR A 44 2.055 -5.727 3.745 1.00 0.00 O ATOM 613 CB TYR A 44 -1.189 -5.702 3.141 1.00 0.00 C ATOM 614 CG TYR A 44 -2.544 -6.370 3.200 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.917 -7.133 4.300 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.452 -6.237 2.157 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.154 -7.745 4.358 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.692 -6.845 2.207 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.038 -7.598 3.309 1.00 0.00 C ATOM 620 OH TYR A 44 -6.272 -8.205 3.364 1.00 0.00 O ATOM 0 H TYR A 44 0.436 -7.070 5.028 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.194 -7.332 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.051 -5.099 4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.166 -5.019 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.228 -7.249 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.184 -5.648 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.428 -8.335 5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.386 -6.731 1.388 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.561 -8.274 4.298 1.00 0.00 H new ATOM 630 N THR A 45 1.518 -5.503 1.571 1.00 0.00 N ATOM 631 CA THR A 45 2.729 -4.765 1.236 1.00 0.00 C ATOM 632 C THR A 45 2.400 -3.350 0.772 1.00 0.00 C ATOM 633 O THR A 45 1.721 -3.159 -0.237 1.00 0.00 O ATOM 634 CB THR A 45 3.536 -5.479 0.135 1.00 0.00 C ATOM 635 OG1 THR A 45 3.915 -6.787 0.576 1.00 0.00 O ATOM 636 CG2 THR A 45 4.778 -4.681 -0.229 1.00 0.00 C ATOM 0 H THR A 45 0.888 -5.658 0.784 1.00 0.00 H new ATOM 0 HA THR A 45 3.331 -4.717 2.144 1.00 0.00 H new ATOM 0 HB THR A 45 2.906 -5.563 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.844 -7.417 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.332 -5.205 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.484 -3.696 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.410 -4.569 0.652 1.00 0.00 H new ATOM 644 N VAL A 46 2.886 -2.361 1.515 1.00 0.00 N ATOM 645 CA VAL A 46 2.644 -0.963 1.179 1.00 0.00 C ATOM 646 C VAL A 46 3.787 -0.393 0.345 1.00 0.00 C ATOM 647 O VAL A 46 4.852 -0.068 0.871 1.00 0.00 O ATOM 648 CB VAL A 46 2.469 -0.103 2.445 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.139 1.334 2.073 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.390 -0.691 3.342 1.00 0.00 C ATOM 0 H VAL A 46 3.450 -2.502 2.353 1.00 0.00 H new ATOM 0 HA VAL A 46 1.722 -0.932 0.598 1.00 0.00 H new ATOM 0 HB VAL A 46 3.409 -0.103 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.019 1.926 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.948 1.750 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.213 1.358 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.279 -0.071 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.444 -0.722 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.673 -1.702 3.637 1.00 0.00 H new ATOM 660 N VAL A 47 3.558 -0.273 -0.959 1.00 0.00 N ATOM 661 CA VAL A 47 4.568 0.259 -1.866 1.00 0.00 C ATOM 662 C VAL A 47 4.366 1.752 -2.097 1.00 0.00 C ATOM 663 O VAL A 47 3.395 2.168 -2.730 1.00 0.00 O ATOM 664 CB VAL A 47 4.541 -0.468 -3.224 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.746 -0.073 -4.065 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.493 -1.974 -3.020 1.00 0.00 C ATOM 0 H VAL A 47 2.682 -0.537 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 47 5.537 0.095 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 47 3.640 -0.168 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.710 -0.596 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.731 1.003 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.661 -0.342 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.474 -2.472 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.374 -2.294 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.596 -2.237 -2.460 1.00 0.00 H new ATOM 676 N PHE A 48 5.290 2.555 -1.581 1.00 0.00 N ATOM 677 CA PHE A 48 5.214 4.004 -1.730 1.00 0.00 C ATOM 678 C PHE A 48 6.454 4.544 -2.437 1.00 0.00 C ATOM 679 O PHE A 48 7.583 4.270 -2.030 1.00 0.00 O ATOM 680 CB PHE A 48 5.062 4.672 -0.362 1.00 0.00 C ATOM 681 CG PHE A 48 6.189 4.365 0.583 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.366 3.083 1.078 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.072 5.359 0.975 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.401 2.799 1.948 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.109 5.080 1.845 1.00 0.00 C ATOM 686 CZ PHE A 48 8.275 3.798 2.331 1.00 0.00 C ATOM 0 H PHE A 48 6.101 2.227 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 48 4.340 4.236 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.997 5.751 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.123 4.350 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.687 2.297 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.948 6.363 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.527 1.796 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.789 5.864 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.086 3.577 3.009 1.00 0.00 H new ATOM 696 N ARG A 49 6.234 5.311 -3.500 1.00 0.00 N ATOM 697 CA ARG A 49 7.333 5.888 -4.266 1.00 0.00 C ATOM 698 C ARG A 49 6.980 7.291 -4.751 1.00 0.00 C ATOM 699 O ARG A 49 5.806 7.623 -4.920 1.00 0.00 O ATOM 700 CB ARG A 49 7.675 4.995 -5.460 1.00 0.00 C ATOM 701 CG ARG A 49 8.509 5.691 -6.522 1.00 0.00 C ATOM 702 CD ARG A 49 8.789 4.773 -7.701 1.00 0.00 C ATOM 703 NE ARG A 49 7.559 4.284 -8.318 1.00 0.00 N ATOM 704 CZ ARG A 49 7.503 3.775 -9.544 1.00 0.00 C ATOM 705 NH1 ARG A 49 8.603 3.688 -10.280 1.00 0.00 N ATOM 706 NH2 ARG A 49 6.346 3.351 -10.036 1.00 0.00 N ATOM 0 H ARG A 49 5.306 5.547 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 49 8.202 5.956 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.215 4.118 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.750 4.638 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.987 6.582 -6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.451 6.023 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.380 5.308 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.388 3.926 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 49 6.695 4.336 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.494 4.012 -9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.557 3.297 -11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.498 3.416 -9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.305 2.960 -10.977 1.00 0.00 H new ATOM 720 N ASP A 50 8.002 8.110 -4.972 1.00 0.00 N ATOM 721 CA ASP A 50 7.800 9.477 -5.438 1.00 0.00 C ATOM 722 C ASP A 50 7.687 9.521 -6.959 1.00 0.00 C ATOM 723 O ASP A 50 8.670 9.310 -7.670 1.00 0.00 O ATOM 724 CB ASP A 50 8.949 10.372 -4.973 1.00 0.00 C ATOM 725 CG ASP A 50 10.232 9.597 -4.748 1.00 0.00 C ATOM 726 OD1 ASP A 50 10.495 8.649 -5.517 1.00 0.00 O ATOM 727 OD2 ASP A 50 10.974 9.937 -3.802 1.00 0.00 O ATOM 0 H ASP A 50 8.979 7.851 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 50 6.867 9.846 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.123 11.150 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.664 10.873 -4.048 1.00 0.00 H new ATOM 732 N ILE A 51 6.484 9.796 -7.450 1.00 0.00 N ATOM 733 CA ILE A 51 6.243 9.868 -8.886 1.00 0.00 C ATOM 734 C ILE A 51 7.126 10.926 -9.539 1.00 0.00 C ATOM 735 O ILE A 51 7.368 10.889 -10.744 1.00 0.00 O ATOM 736 CB ILE A 51 4.768 10.185 -9.195 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.378 11.538 -8.597 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.866 9.083 -8.658 1.00 0.00 C ATOM 739 CD1 ILE A 51 3.126 12.130 -9.205 1.00 0.00 C ATOM 0 H ILE A 51 5.660 9.973 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 51 6.489 8.889 -9.296 1.00 0.00 H new ATOM 0 HB ILE A 51 4.642 10.237 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.231 11.422 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.203 12.237 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.827 9.321 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.131 8.135 -9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.993 9.002 -7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.910 13.088 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.276 12.278 -10.274 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.288 11.451 -9.047 1.00 0.00 H new ATOM 751 N ASN A 52 7.606 11.868 -8.733 1.00 0.00 N ATOM 752 CA ASN A 52 8.464 12.936 -9.232 1.00 0.00 C ATOM 753 C ASN A 52 9.936 12.559 -9.097 1.00 0.00 C ATOM 754 O ASN A 52 10.819 13.297 -9.535 1.00 0.00 O ATOM 755 CB ASN A 52 8.188 14.236 -8.475 1.00 0.00 C ATOM 756 CG ASN A 52 6.778 14.748 -8.700 1.00 0.00 C ATOM 757 OD1 ASN A 52 5.849 14.314 -7.855 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.527 15.524 -9.622 1.00 0.00 N flip ATOM 0 H ASN A 52 7.415 11.913 -7.732 1.00 0.00 H new ATOM 0 HA ASN A 52 8.240 13.084 -10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.347 14.073 -7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.902 14.996 -8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.272 15.831 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.574 15.860 -9.761 1.00 0.00 H new ATOM 765 N SER A 53 10.193 11.406 -8.489 1.00 0.00 N ATOM 766 CA SER A 53 11.558 10.932 -8.294 1.00 0.00 C ATOM 767 C SER A 53 11.667 9.443 -8.609 1.00 0.00 C ATOM 768 O SER A 53 10.678 8.799 -8.959 1.00 0.00 O ATOM 769 CB SER A 53 12.011 11.194 -6.856 1.00 0.00 C ATOM 770 OG SER A 53 12.655 12.452 -6.745 1.00 0.00 O ATOM 0 H SER A 53 9.474 10.782 -8.123 1.00 0.00 H new ATOM 0 HA SER A 53 12.207 11.479 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.150 11.163 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.691 10.404 -6.536 1.00 0.00 H new ATOM 0 HG SER A 53 12.933 12.596 -5.816 1.00 0.00 H new ATOM 776 N GLN A 54 12.876 8.905 -8.484 1.00 0.00 N ATOM 777 CA GLN A 54 13.114 7.493 -8.756 1.00 0.00 C ATOM 778 C GLN A 54 13.440 6.738 -7.472 1.00 0.00 C ATOM 779 O GLN A 54 14.291 5.849 -7.463 1.00 0.00 O ATOM 780 CB GLN A 54 14.257 7.331 -9.760 1.00 0.00 C ATOM 781 CG GLN A 54 14.412 5.912 -10.283 1.00 0.00 C ATOM 782 CD GLN A 54 15.222 5.847 -11.563 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.357 5.370 -11.569 1.00 0.00 O ATOM 784 NE2 GLN A 54 14.642 6.328 -12.656 1.00 0.00 N ATOM 0 H GLN A 54 13.705 9.425 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 54 12.203 7.073 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.088 8.003 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.190 7.639 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.893 5.299 -9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.425 5.484 -10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.699 6.714 -12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.139 6.311 -13.547 1.00 0.00 H new ATOM 793 N GLN A 55 12.758 7.099 -6.390 1.00 0.00 N ATOM 794 CA GLN A 55 12.977 6.455 -5.100 1.00 0.00 C ATOM 795 C GLN A 55 11.849 5.479 -4.780 1.00 0.00 C ATOM 796 O GLN A 55 10.776 5.882 -4.333 1.00 0.00 O ATOM 797 CB GLN A 55 13.086 7.506 -3.994 1.00 0.00 C ATOM 798 CG GLN A 55 13.082 6.918 -2.592 1.00 0.00 C ATOM 799 CD GLN A 55 14.272 6.013 -2.336 1.00 0.00 C ATOM 800 OE1 GLN A 55 14.071 4.711 -2.498 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 15.359 6.480 -1.996 1.00 0.00 N flip ATOM 0 H GLN A 55 12.050 7.833 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 55 13.912 5.897 -5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.003 8.077 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.256 8.207 -4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.082 7.728 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.162 6.354 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.468 7.488 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.150 5.859 -1.827 1.00 0.00 H new ATOM 810 N GLU A 56 12.101 4.195 -5.013 1.00 0.00 N ATOM 811 CA GLU A 56 11.106 3.162 -4.751 1.00 0.00 C ATOM 812 C GLU A 56 11.274 2.589 -3.347 1.00 0.00 C ATOM 813 O GLU A 56 12.390 2.309 -2.907 1.00 0.00 O ATOM 814 CB GLU A 56 11.215 2.042 -5.787 1.00 0.00 C ATOM 815 CG GLU A 56 9.969 1.178 -5.884 1.00 0.00 C ATOM 816 CD GLU A 56 9.958 0.307 -7.125 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.912 -0.477 -7.309 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.994 0.409 -7.913 1.00 0.00 O ATOM 0 H GLU A 56 12.985 3.845 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 56 10.119 3.618 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.419 2.481 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.067 1.409 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.901 0.545 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.087 1.818 -5.886 1.00 0.00 H new ATOM 825 N LEU A 57 10.158 2.417 -2.647 1.00 0.00 N ATOM 826 CA LEU A 57 10.180 1.877 -1.292 1.00 0.00 C ATOM 827 C LEU A 57 8.911 1.081 -1.002 1.00 0.00 C ATOM 828 O LEU A 57 7.856 1.348 -1.575 1.00 0.00 O ATOM 829 CB LEU A 57 10.329 3.009 -0.274 1.00 0.00 C ATOM 830 CG LEU A 57 11.459 4.005 -0.538 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.153 5.345 0.113 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.784 3.454 -0.031 1.00 0.00 C ATOM 0 H LEU A 57 9.227 2.644 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 57 11.035 1.206 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.389 3.559 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.484 2.567 0.710 1.00 0.00 H new ATOM 0 HG LEU A 57 11.539 4.157 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.968 6.041 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.226 5.746 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.045 5.210 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.577 4.176 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.716 3.272 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.009 2.519 -0.544 1.00 0.00 H new ATOM 844 N GLN A 58 9.023 0.105 -0.107 1.00 0.00 N ATOM 845 CA GLN A 58 7.884 -0.729 0.260 1.00 0.00 C ATOM 846 C GLN A 58 7.900 -1.046 1.751 1.00 0.00 C ATOM 847 O GLN A 58 8.937 -0.951 2.405 1.00 0.00 O ATOM 848 CB GLN A 58 7.894 -2.027 -0.550 1.00 0.00 C ATOM 849 CG GLN A 58 7.827 -1.807 -2.053 1.00 0.00 C ATOM 850 CD GLN A 58 8.549 -2.888 -2.833 1.00 0.00 C ATOM 851 OE1 GLN A 58 9.403 -3.593 -2.294 1.00 0.00 O ATOM 852 NE2 GLN A 58 8.209 -3.024 -4.109 1.00 0.00 N ATOM 0 H GLN A 58 9.890 -0.128 0.377 1.00 0.00 H new ATOM 0 HA GLN A 58 6.972 -0.175 0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.799 -2.586 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.049 -2.643 -0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.783 -1.774 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.263 -0.837 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.496 -2.418 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.661 -3.735 -4.684 1.00 0.00 H new ATOM 861 N ASN A 59 6.741 -1.422 2.283 1.00 0.00 N ATOM 862 CA ASN A 59 6.622 -1.753 3.699 1.00 0.00 C ATOM 863 C ASN A 59 5.770 -3.003 3.896 1.00 0.00 C ATOM 864 O ASN A 59 5.130 -3.484 2.960 1.00 0.00 O ATOM 865 CB ASN A 59 6.010 -0.579 4.468 1.00 0.00 C ATOM 866 CG ASN A 59 7.026 0.506 4.770 1.00 0.00 C ATOM 867 OD1 ASN A 59 6.790 1.684 4.503 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.163 0.112 5.330 1.00 0.00 N ATOM 0 H ASN A 59 5.872 -1.505 1.756 1.00 0.00 H new ATOM 0 HA ASN A 59 7.622 -1.952 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.191 -0.155 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.583 -0.943 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.884 0.797 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.316 -0.876 5.534 1.00 0.00 H new ATOM 875 N ILE A 60 5.768 -3.524 5.118 1.00 0.00 N ATOM 876 CA ILE A 60 4.994 -4.717 5.438 1.00 0.00 C ATOM 877 C ILE A 60 4.365 -4.610 6.822 1.00 0.00 C ATOM 878 O ILE A 60 5.023 -4.221 7.788 1.00 0.00 O ATOM 879 CB ILE A 60 5.866 -5.986 5.379 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.577 -6.081 4.028 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.016 -7.224 5.625 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.574 -7.215 3.948 1.00 0.00 C ATOM 0 H ILE A 60 6.294 -3.139 5.903 1.00 0.00 H new ATOM 0 HA ILE A 60 4.206 -4.792 4.689 1.00 0.00 H new ATOM 0 HB ILE A 60 6.622 -5.926 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.832 -6.207 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.092 -5.141 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.646 -8.113 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.552 -7.157 6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.240 -7.290 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.039 -7.221 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.341 -7.080 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.061 -8.163 4.113 1.00 0.00 H new ATOM 894 N THR A 61 3.085 -4.959 6.914 1.00 0.00 N ATOM 895 CA THR A 61 2.366 -4.902 8.180 1.00 0.00 C ATOM 896 C THR A 61 1.248 -5.937 8.224 1.00 0.00 C ATOM 897 O THR A 61 0.588 -6.198 7.218 1.00 0.00 O ATOM 898 CB THR A 61 1.767 -3.505 8.424 1.00 0.00 C ATOM 899 OG1 THR A 61 1.000 -3.504 9.633 1.00 0.00 O ATOM 900 CG2 THR A 61 0.884 -3.084 7.258 1.00 0.00 C ATOM 0 H THR A 61 2.525 -5.284 6.126 1.00 0.00 H new ATOM 0 HA THR A 61 3.090 -5.120 8.965 1.00 0.00 H new ATOM 0 HB THR A 61 2.588 -2.793 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.624 -2.611 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.472 -2.094 7.453 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.477 -3.057 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.070 -3.799 7.141 1.00 0.00 H new ATOM 908 N THR A 62 1.038 -6.526 9.398 1.00 0.00 N ATOM 909 CA THR A 62 0.000 -7.533 9.573 1.00 0.00 C ATOM 910 C THR A 62 -1.366 -6.886 9.770 1.00 0.00 C ATOM 911 O THR A 62 -2.319 -7.541 10.192 1.00 0.00 O ATOM 912 CB THR A 62 0.301 -8.447 10.776 1.00 0.00 C ATOM 913 OG1 THR A 62 0.521 -7.656 11.949 1.00 0.00 O ATOM 914 CG2 THR A 62 1.522 -9.313 10.505 1.00 0.00 C ATOM 0 H THR A 62 1.574 -6.322 10.242 1.00 0.00 H new ATOM 0 HA THR A 62 -0.014 -8.134 8.664 1.00 0.00 H new ATOM 0 HB THR A 62 -0.559 -9.098 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.710 -8.244 12.710 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.715 -9.950 11.368 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.340 -9.935 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.387 -8.675 10.324 1.00 0.00 H new ATOM 922 N ASP A 63 -1.455 -5.597 9.462 1.00 0.00 N ATOM 923 CA ASP A 63 -2.706 -4.861 9.605 1.00 0.00 C ATOM 924 C ASP A 63 -3.144 -4.271 8.268 1.00 0.00 C ATOM 925 O ASP A 63 -2.343 -4.138 7.342 1.00 0.00 O ATOM 926 CB ASP A 63 -2.552 -3.747 10.642 1.00 0.00 C ATOM 927 CG ASP A 63 -2.793 -4.237 12.056 1.00 0.00 C ATOM 928 OD1 ASP A 63 -2.589 -5.442 12.309 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.185 -3.414 12.910 1.00 0.00 O ATOM 0 H ASP A 63 -0.676 -5.040 9.112 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.473 -5.558 9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.549 -3.325 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.252 -2.943 10.415 1.00 0.00 H new ATOM 934 N THR A 64 -4.423 -3.920 8.172 1.00 0.00 N ATOM 935 CA THR A 64 -4.969 -3.346 6.949 1.00 0.00 C ATOM 936 C THR A 64 -4.669 -1.855 6.859 1.00 0.00 C ATOM 937 O THR A 64 -5.315 -1.126 6.105 1.00 0.00 O ATOM 938 CB THR A 64 -6.492 -3.559 6.859 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.058 -3.603 8.174 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.816 -4.847 6.118 1.00 0.00 C ATOM 0 H THR A 64 -5.100 -4.024 8.928 1.00 0.00 H new ATOM 0 HA THR A 64 -4.488 -3.861 6.117 1.00 0.00 H new ATOM 0 HB THR A 64 -6.922 -2.724 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.027 -3.737 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.897 -4.975 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.409 -4.798 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.375 -5.692 6.647 1.00 0.00 H new ATOM 948 N ARG A 65 -3.686 -1.406 7.632 1.00 0.00 N ATOM 949 CA ARG A 65 -3.301 0.001 7.640 1.00 0.00 C ATOM 950 C ARG A 65 -1.787 0.149 7.759 1.00 0.00 C ATOM 951 O ARG A 65 -1.076 -0.820 8.027 1.00 0.00 O ATOM 952 CB ARG A 65 -3.988 0.733 8.794 1.00 0.00 C ATOM 953 CG ARG A 65 -3.515 0.285 10.167 1.00 0.00 C ATOM 954 CD ARG A 65 -2.350 1.129 10.658 1.00 0.00 C ATOM 955 NE ARG A 65 -2.797 2.269 11.454 1.00 0.00 N ATOM 956 CZ ARG A 65 -3.392 2.152 12.636 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.610 0.952 13.156 1.00 0.00 N ATOM 958 NH2 ARG A 65 -3.770 3.236 13.300 1.00 0.00 N ATOM 0 H ARG A 65 -3.141 -1.996 8.261 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.619 0.445 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.812 1.804 8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.065 0.578 8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.339 0.353 10.877 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.215 -0.762 10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.680 0.510 11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.776 1.487 9.803 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.644 3.206 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.321 0.116 12.648 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.067 0.865 14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.604 4.161 12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.227 3.145 14.207 1.00 0.00 H new ATOM 972 N PHE A 66 -1.300 1.369 7.556 1.00 0.00 N ATOM 973 CA PHE A 66 0.130 1.645 7.639 1.00 0.00 C ATOM 974 C PHE A 66 0.398 3.146 7.586 1.00 0.00 C ATOM 975 O PHE A 66 -0.481 3.934 7.236 1.00 0.00 O ATOM 976 CB PHE A 66 0.873 0.942 6.502 1.00 0.00 C ATOM 977 CG PHE A 66 2.361 0.888 6.701 1.00 0.00 C ATOM 978 CD1 PHE A 66 2.931 -0.088 7.503 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.189 1.813 6.087 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.299 -0.141 7.688 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.559 1.765 6.268 1.00 0.00 C ATOM 982 CZ PHE A 66 5.114 0.788 7.070 1.00 0.00 C ATOM 0 H PHE A 66 -1.874 2.182 7.333 1.00 0.00 H new ATOM 0 HA PHE A 66 0.494 1.262 8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.491 -0.074 6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.658 1.457 5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.298 -0.816 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.760 2.580 5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.731 -0.907 8.315 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.194 2.491 5.782 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.184 0.750 7.214 1.00 0.00 H new ATOM 992 N THR A 67 1.620 3.536 7.936 1.00 0.00 N ATOM 993 CA THR A 67 2.005 4.941 7.931 1.00 0.00 C ATOM 994 C THR A 67 3.411 5.124 7.372 1.00 0.00 C ATOM 995 O THR A 67 4.397 4.745 8.006 1.00 0.00 O ATOM 996 CB THR A 67 1.945 5.546 9.346 1.00 0.00 C ATOM 997 OG1 THR A 67 0.611 5.461 9.859 1.00 0.00 O ATOM 998 CG2 THR A 67 2.397 6.999 9.334 1.00 0.00 C ATOM 0 H THR A 67 2.360 2.897 8.227 1.00 0.00 H new ATOM 0 HA THR A 67 1.292 5.461 7.291 1.00 0.00 H new ATOM 0 HB THR A 67 2.618 4.978 9.988 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.556 5.944 10.710 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.346 7.404 10.345 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.423 7.058 8.971 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.746 7.577 8.678 1.00 0.00 H new ATOM 1006 N LEU A 68 3.498 5.706 6.181 1.00 0.00 N ATOM 1007 CA LEU A 68 4.786 5.940 5.536 1.00 0.00 C ATOM 1008 C LEU A 68 5.644 6.892 6.363 1.00 0.00 C ATOM 1009 O LEU A 68 5.174 7.484 7.335 1.00 0.00 O ATOM 1010 CB LEU A 68 4.579 6.511 4.132 1.00 0.00 C ATOM 1011 CG LEU A 68 3.960 5.561 3.106 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.291 4.117 3.447 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.453 5.762 3.035 1.00 0.00 C ATOM 0 H LEU A 68 2.693 6.025 5.642 1.00 0.00 H new ATOM 0 HA LEU A 68 5.306 4.985 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.944 7.393 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.544 6.846 3.752 1.00 0.00 H new ATOM 0 HG LEU A 68 4.384 5.788 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.842 3.456 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.373 3.982 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.896 3.877 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.029 5.078 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.013 5.563 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.236 6.789 2.742 1.00 0.00 H new ATOM 1025 N THR A 69 6.905 7.038 5.969 1.00 0.00 N ATOM 1026 CA THR A 69 7.829 7.918 6.672 1.00 0.00 C ATOM 1027 C THR A 69 9.022 8.279 5.793 1.00 0.00 C ATOM 1028 O THR A 69 9.270 7.638 4.773 1.00 0.00 O ATOM 1029 CB THR A 69 8.341 7.272 7.973 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.154 6.133 7.667 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.181 6.850 8.861 1.00 0.00 C ATOM 0 H THR A 69 7.310 6.557 5.166 1.00 0.00 H new ATOM 0 HA THR A 69 7.276 8.824 6.919 1.00 0.00 H new ATOM 0 HB THR A 69 8.937 8.010 8.509 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.477 5.729 8.499 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.568 6.396 9.774 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.581 7.724 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.561 6.127 8.331 1.00 0.00 H new ATOM 1039 N GLY A 70 9.758 9.310 6.197 1.00 0.00 N ATOM 1040 CA GLY A 70 10.917 9.737 5.435 1.00 0.00 C ATOM 1041 C GLY A 70 10.547 10.258 4.061 1.00 0.00 C ATOM 1042 O GLY A 70 11.276 10.048 3.091 1.00 0.00 O ATOM 0 H GLY A 70 9.572 9.857 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.443 10.516 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.607 8.900 5.329 1.00 0.00 H new ATOM 1046 N LEU A 71 9.410 10.940 3.975 1.00 0.00 N ATOM 1047 CA LEU A 71 8.942 11.492 2.708 1.00 0.00 C ATOM 1048 C LEU A 71 9.093 13.009 2.687 1.00 0.00 C ATOM 1049 O LEU A 71 9.203 13.648 3.733 1.00 0.00 O ATOM 1050 CB LEU A 71 7.480 11.110 2.471 1.00 0.00 C ATOM 1051 CG LEU A 71 7.055 9.733 2.982 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.539 9.635 3.054 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.620 8.636 2.092 1.00 0.00 C ATOM 0 H LEU A 71 8.795 11.124 4.768 1.00 0.00 H new ATOM 0 HA LEU A 71 9.554 11.073 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.848 11.862 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.283 11.155 1.400 1.00 0.00 H new ATOM 0 HG LEU A 71 7.456 9.600 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.255 8.648 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.157 10.397 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.117 9.789 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.307 7.663 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.250 8.766 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.709 8.692 2.092 1.00 0.00 H new ATOM 1065 N LYS A 72 9.095 13.582 1.488 1.00 0.00 N ATOM 1066 CA LYS A 72 9.228 15.025 1.328 1.00 0.00 C ATOM 1067 C LYS A 72 7.862 15.703 1.350 1.00 0.00 C ATOM 1068 O LYS A 72 6.888 15.209 0.783 1.00 0.00 O ATOM 1069 CB LYS A 72 9.950 15.350 0.018 1.00 0.00 C ATOM 1070 CG LYS A 72 10.576 16.734 -0.004 1.00 0.00 C ATOM 1071 CD LYS A 72 11.393 16.955 -1.266 1.00 0.00 C ATOM 1072 CE LYS A 72 10.517 17.402 -2.426 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.326 17.781 -3.618 1.00 0.00 N ATOM 0 H LYS A 72 9.006 13.068 0.612 1.00 0.00 H new ATOM 0 HA LYS A 72 9.816 15.405 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.728 14.606 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.243 15.267 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.793 17.490 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.214 16.860 0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.160 17.706 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.909 16.033 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.831 16.599 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.908 18.251 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.693 18.080 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.963 18.565 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.888 16.964 -3.930 1.00 0.00 H new ATOM 1087 N PRO A 73 7.788 16.864 2.018 1.00 0.00 N ATOM 1088 CA PRO A 73 6.546 17.636 2.128 1.00 0.00 C ATOM 1089 C PRO A 73 6.133 18.261 0.800 1.00 0.00 C ATOM 1090 O PRO A 73 6.978 18.708 0.024 1.00 0.00 O ATOM 1091 CB PRO A 73 6.894 18.724 3.146 1.00 0.00 C ATOM 1092 CG PRO A 73 8.372 18.878 3.046 1.00 0.00 C ATOM 1093 CD PRO A 73 8.909 17.512 2.718 1.00 0.00 C ATOM 0 HA PRO A 73 5.702 17.012 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.382 19.659 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.593 18.435 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.638 19.598 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.790 19.247 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.797 17.570 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.191 16.965 3.617 1.00 0.00 H new ATOM 1101 N ASP A 74 4.830 18.289 0.544 1.00 0.00 N ATOM 1102 CA ASP A 74 4.304 18.861 -0.690 1.00 0.00 C ATOM 1103 C ASP A 74 4.839 18.112 -1.906 1.00 0.00 C ATOM 1104 O ASP A 74 5.274 18.722 -2.884 1.00 0.00 O ATOM 1105 CB ASP A 74 4.671 20.343 -0.787 1.00 0.00 C ATOM 1106 CG ASP A 74 4.265 20.954 -2.113 1.00 0.00 C ATOM 1107 OD1 ASP A 74 3.114 20.730 -2.543 1.00 0.00 O ATOM 1108 OD2 ASP A 74 5.098 21.658 -2.721 1.00 0.00 O ATOM 0 H ASP A 74 4.118 17.922 1.175 1.00 0.00 H new ATOM 0 HA ASP A 74 3.218 18.764 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.188 20.888 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.746 20.458 -0.652 1.00 0.00 H new ATOM 1113 N THR A 75 4.803 16.784 -1.840 1.00 0.00 N ATOM 1114 CA THR A 75 5.285 15.951 -2.935 1.00 0.00 C ATOM 1115 C THR A 75 4.420 14.708 -3.102 1.00 0.00 C ATOM 1116 O THR A 75 4.203 13.957 -2.150 1.00 0.00 O ATOM 1117 CB THR A 75 6.747 15.520 -2.710 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.625 16.629 -2.931 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.123 14.377 -3.641 1.00 0.00 C ATOM 0 H THR A 75 4.445 16.263 -1.040 1.00 0.00 H new ATOM 0 HA THR A 75 5.227 16.554 -3.841 1.00 0.00 H new ATOM 0 HB THR A 75 6.847 15.178 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.096 17.435 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.159 14.090 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.472 13.524 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.007 14.698 -4.676 1.00 0.00 H new ATOM 1127 N THR A 76 3.928 14.493 -4.318 1.00 0.00 N ATOM 1128 CA THR A 76 3.086 13.340 -4.610 1.00 0.00 C ATOM 1129 C THR A 76 3.849 12.036 -4.406 1.00 0.00 C ATOM 1130 O THR A 76 4.964 11.874 -4.903 1.00 0.00 O ATOM 1131 CB THR A 76 2.548 13.388 -6.052 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.917 14.649 -6.299 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.555 12.261 -6.297 1.00 0.00 C ATOM 0 H THR A 76 4.099 15.103 -5.117 1.00 0.00 H new ATOM 0 HA THR A 76 2.246 13.378 -3.916 1.00 0.00 H new ATOM 0 HB THR A 76 3.389 13.265 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.579 14.671 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.189 12.315 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.047 11.301 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.717 12.358 -5.607 1.00 0.00 H new ATOM 1141 N TYR A 77 3.242 11.109 -3.674 1.00 0.00 N ATOM 1142 CA TYR A 77 3.866 9.819 -3.404 1.00 0.00 C ATOM 1143 C TYR A 77 2.937 8.673 -3.790 1.00 0.00 C ATOM 1144 O TYR A 77 1.946 8.406 -3.110 1.00 0.00 O ATOM 1145 CB TYR A 77 4.241 9.710 -1.925 1.00 0.00 C ATOM 1146 CG TYR A 77 5.596 10.295 -1.599 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.762 9.587 -1.865 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.712 11.555 -1.024 1.00 0.00 C ATOM 1149 CE1 TYR A 77 8.003 10.117 -1.568 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.949 12.093 -0.725 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.091 11.370 -0.999 1.00 0.00 C ATOM 1152 OH TYR A 77 9.325 11.902 -0.702 1.00 0.00 O ATOM 0 H TYR A 77 2.319 11.227 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 77 4.771 9.748 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.483 10.217 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.228 8.660 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.697 8.606 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.820 12.123 -0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.899 9.553 -1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.021 13.074 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 77 9.449 12.738 -1.198 1.00 0.00 H new ATOM 1162 N ASP A 78 3.264 7.999 -4.887 1.00 0.00 N ATOM 1163 CA ASP A 78 2.461 6.880 -5.365 1.00 0.00 C ATOM 1164 C ASP A 78 2.472 5.733 -4.358 1.00 0.00 C ATOM 1165 O ASP A 78 3.401 4.925 -4.334 1.00 0.00 O ATOM 1166 CB ASP A 78 2.982 6.392 -6.718 1.00 0.00 C ATOM 1167 CG ASP A 78 2.348 5.081 -7.143 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.503 4.082 -6.411 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.698 5.056 -8.209 1.00 0.00 O ATOM 0 H ASP A 78 4.080 8.208 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 78 1.434 7.226 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.784 7.150 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.064 6.269 -6.665 1.00 0.00 H new ATOM 1174 N ILE A 79 1.436 5.671 -3.529 1.00 0.00 N ATOM 1175 CA ILE A 79 1.328 4.624 -2.520 1.00 0.00 C ATOM 1176 C ILE A 79 0.242 3.618 -2.887 1.00 0.00 C ATOM 1177 O ILE A 79 -0.882 3.994 -3.220 1.00 0.00 O ATOM 1178 CB ILE A 79 1.019 5.211 -1.130 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.031 6.303 -0.778 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.028 4.113 -0.078 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.461 7.394 0.103 1.00 0.00 C ATOM 0 H ILE A 79 0.660 6.333 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 79 2.293 4.118 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 79 0.025 5.657 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.884 5.848 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.406 6.750 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.808 4.543 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.272 3.367 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.010 3.641 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.234 8.134 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.627 7.875 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.111 6.960 1.040 1.00 0.00 H new ATOM 1193 N LYS A 80 0.585 2.336 -2.822 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.360 1.273 -3.144 1.00 0.00 C ATOM 1195 C LYS A 80 -0.321 0.173 -2.089 1.00 0.00 C ATOM 1196 O LYS A 80 0.376 0.289 -1.081 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.047 0.684 -4.522 1.00 0.00 C ATOM 1198 CG LYS A 80 1.439 0.610 -4.828 1.00 0.00 C ATOM 1199 CD LYS A 80 1.711 0.784 -6.313 1.00 0.00 C ATOM 1200 CE LYS A 80 1.484 -0.512 -7.076 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.657 -0.329 -8.544 1.00 0.00 N ATOM 0 H LYS A 80 1.511 2.008 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.361 1.703 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.473 -0.317 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.537 1.288 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.966 1.382 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.833 -0.350 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.062 1.562 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.738 1.119 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.182 -1.270 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.479 -0.882 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.494 -1.235 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.974 0.376 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.624 -0.000 -8.741 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.074 -0.896 -2.327 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.124 -2.019 -1.398 1.00 0.00 C ATOM 1217 C VAL A 81 -1.489 -3.313 -2.118 1.00 0.00 C ATOM 1218 O VAL A 81 -2.012 -3.288 -3.232 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.141 -1.769 -0.269 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.517 -2.282 -0.666 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.673 -2.420 1.024 1.00 0.00 C ATOM 0 H VAL A 81 -1.658 -1.008 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.128 -2.116 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.215 -0.694 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.222 -2.097 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.853 -1.765 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.463 -3.353 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.404 -2.233 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.569 -3.495 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.711 -1.999 1.315 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.209 -4.441 -1.474 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.507 -5.745 -2.054 1.00 0.00 C ATOM 1233 C ARG A 82 -1.624 -6.809 -0.966 1.00 0.00 C ATOM 1234 O ARG A 82 -0.824 -6.846 -0.031 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.421 -6.142 -3.055 1.00 0.00 C ATOM 1236 CG ARG A 82 0.904 -6.507 -2.405 1.00 0.00 C ATOM 1237 CD ARG A 82 2.023 -6.593 -3.431 1.00 0.00 C ATOM 1238 NE ARG A 82 1.927 -7.801 -4.246 1.00 0.00 N ATOM 1239 CZ ARG A 82 2.713 -8.050 -5.287 1.00 0.00 C ATOM 1240 NH1 ARG A 82 3.649 -7.179 -5.638 1.00 0.00 N ATOM 1241 NH2 ARG A 82 2.565 -9.172 -5.980 1.00 0.00 N ATOM 0 H ARG A 82 -0.776 -4.478 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.462 -5.674 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.773 -6.990 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.260 -5.317 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.157 -5.763 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.807 -7.463 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.990 -5.716 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.986 -6.576 -2.920 1.00 0.00 H new ATOM 0 HE ARG A 82 1.217 -8.492 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.767 -6.315 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.252 -7.373 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.846 -9.845 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.170 -9.361 -6.779 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.626 -7.672 -1.095 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.847 -8.737 -0.125 1.00 0.00 C ATOM 1257 C ALA A 83 -1.949 -9.935 -0.411 1.00 0.00 C ATOM 1258 O ALA A 83 -1.737 -10.303 -1.567 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.309 -9.159 -0.128 1.00 0.00 C ATOM 0 H ALA A 83 -3.298 -7.654 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.593 -8.353 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.459 -9.955 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.935 -8.305 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.582 -9.519 -1.120 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.422 -10.540 0.648 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.545 -11.697 0.510 1.00 0.00 C ATOM 1267 C TRP A 84 -1.180 -12.938 1.126 1.00 0.00 C ATOM 1268 O TRP A 84 -1.857 -12.858 2.152 1.00 0.00 O ATOM 1269 CB TRP A 84 0.807 -11.420 1.169 1.00 0.00 C ATOM 1270 CG TRP A 84 1.634 -10.414 0.427 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.348 -9.092 0.243 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.883 -10.651 -0.232 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.343 -8.492 -0.490 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.297 -9.427 -0.793 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.694 -11.777 -0.400 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.483 -9.301 -1.511 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.871 -11.650 -1.113 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.257 -10.420 -1.660 1.00 0.00 C ATOM 0 H TRP A 84 -1.587 -10.248 1.611 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.392 -11.880 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.641 -11.065 2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.365 -12.354 1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.468 -8.591 0.619 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.367 -7.510 -0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.406 -12.729 0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.782 -8.354 -1.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.504 -12.514 -1.251 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.184 -10.353 -2.210 1.00 0.00 H new ATOM 1289 N THR A 85 -0.958 -14.087 0.495 1.00 0.00 N ATOM 1290 CA THR A 85 -1.510 -15.345 0.982 1.00 0.00 C ATOM 1291 C THR A 85 -0.405 -16.287 1.447 1.00 0.00 C ATOM 1292 O THR A 85 0.772 -16.070 1.157 1.00 0.00 O ATOM 1293 CB THR A 85 -2.345 -16.050 -0.104 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.581 -16.169 -1.309 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.627 -15.281 -0.385 1.00 0.00 C ATOM 0 H THR A 85 -0.400 -14.172 -0.354 1.00 0.00 H new ATOM 0 HA THR A 85 -2.155 -15.101 1.826 1.00 0.00 H new ATOM 0 HB THR A 85 -2.608 -17.044 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.118 -16.619 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.200 -15.798 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.220 -15.217 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.381 -14.276 -0.729 1.00 0.00 H new ATOM 1303 N SER A 86 -0.791 -17.333 2.170 1.00 0.00 N ATOM 1304 CA SER A 86 0.168 -18.306 2.679 1.00 0.00 C ATOM 1305 C SER A 86 1.006 -18.887 1.544 1.00 0.00 C ATOM 1306 O SER A 86 2.057 -19.486 1.776 1.00 0.00 O ATOM 1307 CB SER A 86 -0.558 -19.431 3.419 1.00 0.00 C ATOM 1308 OG SER A 86 -1.529 -18.911 4.310 1.00 0.00 O ATOM 0 H SER A 86 -1.761 -17.528 2.417 1.00 0.00 H new ATOM 0 HA SER A 86 0.833 -17.794 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.038 -20.094 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.164 -20.031 3.973 1.00 0.00 H new ATOM 0 HG SER A 86 -1.980 -19.650 4.769 1.00 0.00 H new ATOM 1314 N LYS A 87 0.534 -18.706 0.316 1.00 0.00 N ATOM 1315 CA LYS A 87 1.238 -19.210 -0.858 1.00 0.00 C ATOM 1316 C LYS A 87 2.217 -18.170 -1.393 1.00 0.00 C ATOM 1317 O LYS A 87 3.419 -18.419 -1.475 1.00 0.00 O ATOM 1318 CB LYS A 87 0.239 -19.596 -1.951 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.819 -20.583 -1.487 1.00 0.00 C ATOM 1320 CD LYS A 87 -0.379 -22.020 -1.715 1.00 0.00 C ATOM 1321 CE LYS A 87 -1.570 -22.961 -1.797 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.165 -24.385 -1.630 1.00 0.00 N ATOM 0 H LYS A 87 -0.334 -18.213 0.107 1.00 0.00 H new ATOM 0 HA LYS A 87 1.801 -20.095 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.253 -18.695 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.782 -20.027 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.023 -20.428 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.751 -20.397 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.200 -22.083 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.278 -22.333 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.295 -22.697 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.067 -22.835 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.005 -24.995 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.493 -24.645 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.714 -24.511 -0.701 1.00 0.00 H new ATOM 1336 N GLY A 88 1.694 -17.003 -1.755 1.00 0.00 N ATOM 1337 CA GLY A 88 2.536 -15.943 -2.277 1.00 0.00 C ATOM 1338 C GLY A 88 1.840 -14.596 -2.278 1.00 0.00 C ATOM 1339 O GLY A 88 1.093 -14.275 -1.354 1.00 0.00 O ATOM 0 H GLY A 88 0.702 -16.773 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.445 -15.878 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.840 -16.192 -3.294 1.00 0.00 H new ATOM 1343 N SER A 89 2.085 -13.806 -3.318 1.00 0.00 N ATOM 1344 CA SER A 89 1.480 -12.484 -3.434 1.00 0.00 C ATOM 1345 C SER A 89 0.518 -12.428 -4.616 1.00 0.00 C ATOM 1346 O SER A 89 0.539 -13.295 -5.489 1.00 0.00 O ATOM 1347 CB SER A 89 2.564 -11.416 -3.592 1.00 0.00 C ATOM 1348 OG SER A 89 3.564 -11.835 -4.505 1.00 0.00 O ATOM 0 H SER A 89 2.698 -14.058 -4.093 1.00 0.00 H new ATOM 0 HA SER A 89 0.917 -12.288 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.115 -10.486 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.017 -11.207 -2.623 1.00 0.00 H new ATOM 0 HG SER A 89 4.244 -11.135 -4.589 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.326 -11.401 -4.637 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.284 -11.249 -5.716 1.00 0.00 C ATOM 1356 C GLY A 90 -1.069 -9.975 -6.508 1.00 0.00 C ATOM 1357 O GLY A 90 0.059 -9.520 -6.698 1.00 0.00 O ATOM 0 H GLY A 90 -0.363 -10.671 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.211 -12.106 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.293 -11.251 -5.304 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.171 -9.379 -6.988 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.124 -8.142 -7.773 1.00 0.00 C ATOM 1363 C PRO A 91 -1.719 -6.936 -6.931 1.00 0.00 C ATOM 1364 O PRO A 91 -1.505 -7.053 -5.724 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.561 -7.985 -8.275 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.392 -8.718 -7.279 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.548 -9.866 -6.800 1.00 0.00 C ATOM 0 HA PRO A 91 -1.383 -8.194 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.847 -6.935 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.679 -8.404 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.672 -8.068 -6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.317 -9.076 -7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.750 -10.105 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.736 -10.771 -7.377 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.615 -5.779 -7.575 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.236 -4.551 -6.886 1.00 0.00 C ATOM 1377 C LEU A 92 -2.352 -3.514 -6.967 1.00 0.00 C ATOM 1378 O LEU A 92 -2.818 -3.173 -8.054 1.00 0.00 O ATOM 1379 CB LEU A 92 0.050 -3.981 -7.487 1.00 0.00 C ATOM 1380 CG LEU A 92 1.354 -4.422 -6.823 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.530 -4.213 -7.764 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.571 -3.667 -5.520 1.00 0.00 C ATOM 0 H LEU A 92 -1.788 -5.666 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.064 -4.791 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.090 -4.259 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.005 -2.893 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 92 1.282 -5.486 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.450 -4.533 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.379 -4.799 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.605 -3.157 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.504 -3.994 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.622 -2.597 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.743 -3.868 -4.841 1.00 0.00 H new ATOM 1394 N SER A 93 -2.775 -3.015 -5.810 1.00 0.00 N ATOM 1395 CA SER A 93 -3.837 -2.018 -5.750 1.00 0.00 C ATOM 1396 C SER A 93 -3.434 -0.750 -6.496 1.00 0.00 C ATOM 1397 O SER A 93 -2.253 -0.443 -6.659 1.00 0.00 O ATOM 1398 CB SER A 93 -4.170 -1.684 -4.294 1.00 0.00 C ATOM 1399 OG SER A 93 -3.317 -0.667 -3.797 1.00 0.00 O ATOM 0 H SER A 93 -2.398 -3.285 -4.901 1.00 0.00 H new ATOM 0 HA SER A 93 -4.722 -2.435 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.208 -1.361 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.070 -2.579 -3.680 1.00 0.00 H new ATOM 0 HG SER A 93 -3.557 0.190 -4.206 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.440 0.007 -6.960 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.217 1.255 -7.696 1.00 0.00 C ATOM 1407 C PRO A 94 -3.664 2.363 -6.805 1.00 0.00 C ATOM 1408 O PRO A 94 -4.329 2.811 -5.871 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.614 1.623 -8.202 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.548 0.972 -7.242 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.872 -0.297 -6.801 1.00 0.00 C ATOM 0 HA PRO A 94 -3.480 1.134 -8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.756 2.704 -8.222 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.775 1.262 -9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.749 1.623 -6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.507 0.759 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.118 -0.546 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.173 -1.147 -7.414 1.00 0.00 H new ATOM 1419 N SER A 95 -2.444 2.800 -7.100 1.00 0.00 N ATOM 1420 CA SER A 95 -1.801 3.853 -6.323 1.00 0.00 C ATOM 1421 C SER A 95 -2.723 5.060 -6.176 1.00 0.00 C ATOM 1422 O SER A 95 -3.547 5.334 -7.048 1.00 0.00 O ATOM 1423 CB SER A 95 -0.489 4.277 -6.987 1.00 0.00 C ATOM 1424 OG SER A 95 -0.536 4.068 -8.388 1.00 0.00 O ATOM 0 H SER A 95 -1.881 2.441 -7.871 1.00 0.00 H new ATOM 0 HA SER A 95 -1.587 3.458 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.296 5.330 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.338 3.711 -6.559 1.00 0.00 H new ATOM 0 HG SER A 95 0.266 4.448 -8.803 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.577 5.776 -5.067 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.395 6.954 -4.805 1.00 0.00 C ATOM 1432 C ILE A 96 -2.602 8.236 -5.034 1.00 0.00 C ATOM 1433 O ILE A 96 -3.174 9.286 -5.324 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.941 6.951 -3.365 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.851 6.511 -2.384 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.155 6.040 -3.260 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.261 6.631 -0.933 1.00 0.00 C ATOM 0 H ILE A 96 -1.900 5.561 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.232 6.918 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.249 7.964 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.582 5.476 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.958 7.113 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.529 6.049 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.935 6.394 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.872 5.024 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.441 6.302 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.502 7.670 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.136 6.007 -0.749 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.283 8.141 -4.903 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.411 9.293 -5.098 1.00 0.00 C ATOM 1451 C GLN A 97 -0.719 10.386 -4.079 1.00 0.00 C ATOM 1452 O GLN A 97 -0.898 11.550 -4.438 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.567 9.844 -6.517 1.00 0.00 C ATOM 1454 CG GLN A 97 0.415 9.246 -7.512 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.153 9.165 -8.915 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.583 10.170 -9.482 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.158 7.965 -9.484 1.00 0.00 N ATOM 0 H GLN A 97 -0.795 7.278 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 97 0.619 8.966 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.583 9.653 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.436 10.926 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.324 9.848 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.699 8.247 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.208 7.159 -8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.528 7.849 -10.427 1.00 0.00 H new ATOM 1466 N SER A 98 -0.780 10.003 -2.808 1.00 0.00 N ATOM 1467 CA SER A 98 -1.071 10.950 -1.738 1.00 0.00 C ATOM 1468 C SER A 98 0.113 11.882 -1.500 1.00 0.00 C ATOM 1469 O SER A 98 1.153 11.464 -0.990 1.00 0.00 O ATOM 1470 CB SER A 98 -1.414 10.204 -0.447 1.00 0.00 C ATOM 1471 OG SER A 98 -2.301 10.960 0.359 1.00 0.00 O ATOM 0 H SER A 98 -0.632 9.044 -2.494 1.00 0.00 H new ATOM 0 HA SER A 98 -1.929 11.550 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.867 9.242 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.500 9.995 0.110 1.00 0.00 H new ATOM 0 HG SER A 98 -3.130 10.455 0.496 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.052 13.146 -1.874 1.00 0.00 N ATOM 1478 CA ARG A 99 1.003 14.138 -1.704 1.00 0.00 C ATOM 1479 C ARG A 99 1.023 14.670 -0.274 1.00 0.00 C ATOM 1480 O ARG A 99 0.094 15.352 0.161 1.00 0.00 O ATOM 1481 CB ARG A 99 0.809 15.295 -2.686 1.00 0.00 C ATOM 1482 CG ARG A 99 1.665 16.511 -2.372 1.00 0.00 C ATOM 1483 CD ARG A 99 1.411 17.640 -3.359 1.00 0.00 C ATOM 1484 NE ARG A 99 0.038 18.131 -3.287 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.973 17.588 -3.958 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.764 16.542 -4.746 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -2.195 18.092 -3.841 1.00 0.00 N ATOM 0 H ARG A 99 -0.907 13.508 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 99 1.958 13.654 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.041 14.948 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.240 15.590 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.452 16.856 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.719 16.233 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.100 18.460 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.619 17.291 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.156 18.934 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.174 16.152 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.541 16.127 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.359 18.897 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.970 17.675 -4.356 1.00 0.00 H new ATOM 1501 N THR A 100 2.088 14.352 0.456 1.00 0.00 N ATOM 1502 CA THR A 100 2.229 14.796 1.837 1.00 0.00 C ATOM 1503 C THR A 100 1.781 16.244 1.997 1.00 0.00 C ATOM 1504 O THR A 100 1.851 17.033 1.056 1.00 0.00 O ATOM 1505 CB THR A 100 3.685 14.663 2.323 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.556 15.421 1.475 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.121 13.206 2.335 1.00 0.00 C ATOM 0 H THR A 100 2.866 13.788 0.113 1.00 0.00 H new ATOM 0 HA THR A 100 1.591 14.153 2.443 1.00 0.00 H new ATOM 0 HB THR A 100 3.742 15.050 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.415 14.957 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.152 13.138 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.475 12.638 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.049 12.796 1.327 1.00 0.00 H new ATOM 1515 N MET A 101 1.322 16.586 3.196 1.00 0.00 N ATOM 1516 CA MET A 101 0.864 17.942 3.480 1.00 0.00 C ATOM 1517 C MET A 101 2.019 18.935 3.394 1.00 0.00 C ATOM 1518 O MET A 101 3.144 18.652 3.805 1.00 0.00 O ATOM 1519 CB MET A 101 0.223 18.006 4.868 1.00 0.00 C ATOM 1520 CG MET A 101 1.213 18.306 5.982 1.00 0.00 C ATOM 1521 SD MET A 101 0.406 18.605 7.566 1.00 0.00 S ATOM 1522 CE MET A 101 -0.775 17.259 7.604 1.00 0.00 C ATOM 0 H MET A 101 1.257 15.944 3.986 1.00 0.00 H new ATOM 0 HA MET A 101 0.120 18.212 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.552 18.772 4.866 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.269 17.056 5.076 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.905 17.470 6.083 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.806 19.179 5.710 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.933 16.943 8.635 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.721 17.593 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.390 16.421 7.023 1.00 0.00 H new ATOM 1532 N PRO A 102 1.736 20.126 2.848 1.00 0.00 N ATOM 1533 CA PRO A 102 2.738 21.185 2.695 1.00 0.00 C ATOM 1534 C PRO A 102 3.153 21.787 4.033 1.00 0.00 C ATOM 1535 O PRO A 102 2.480 22.672 4.563 1.00 0.00 O ATOM 1536 CB PRO A 102 2.022 22.231 1.837 1.00 0.00 C ATOM 1537 CG PRO A 102 0.573 22.009 2.101 1.00 0.00 C ATOM 1538 CD PRO A 102 0.416 20.532 2.337 1.00 0.00 C ATOM 0 HA PRO A 102 3.661 20.811 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.324 23.242 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.256 22.104 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.243 22.580 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.032 22.335 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.375 20.322 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.161 20.003 1.419 1.00 0.00 H new ATOM 1546 N VAL A 103 4.266 21.303 4.576 1.00 0.00 N ATOM 1547 CA VAL A 103 4.771 21.795 5.852 1.00 0.00 C ATOM 1548 C VAL A 103 4.738 23.318 5.906 1.00 0.00 C ATOM 1549 O VAL A 103 4.118 23.904 6.793 1.00 0.00 O ATOM 1550 CB VAL A 103 6.212 21.314 6.108 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.115 21.690 4.943 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.742 21.891 7.412 1.00 0.00 C ATOM 0 H VAL A 103 4.835 20.570 4.152 1.00 0.00 H new ATOM 0 HA VAL A 103 4.118 21.393 6.627 1.00 0.00 H new ATOM 0 HB VAL A 103 6.204 20.227 6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.129 21.342 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.744 21.224 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.120 22.773 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.761 21.541 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.737 22.980 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.109 21.566 8.238 1.00 0.00 H new