USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 891 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 13 HIS :FLIP no HE2:sc= -0.2 F(o=-2.3,f=-0.8) USER MOD Set 1.2: A 86 ASN : amide:sc= -0.598 X(o=-0.8,f=-0.83) USER MOD Set 2.1: A 64 CYS SG : rot 93:sc= -2.92 USER MOD Set 2.2: A 85 CYS SG : rot -40:sc= -10.1! USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0.485 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 154:sc= 0.526 (180deg=0) USER MOD Set 4.1: A 21 THR OG1 : rot -47:sc= 1.32 USER MOD Set 4.2: A 117 THR OG1 : rot 33:sc= -0.344! USER MOD Set 5.1: A 19 THR OG1 : rot 93:sc= 0.631 USER MOD Set 5.2: A 122 SER OG : rot -20:sc= 0.513 USER MOD Single : A 11 SER OG : rot 80:sc= 0.61 USER MOD Single : A 12 GLN : amide:sc= -0.0659 K(o=-0.066,f=-0.84) USER MOD Single : A 15 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.4) USER MOD Single : A 17 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.32) USER MOD Single : A 22 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.6) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.407 K(o=-0.41,f=-2.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -164:sc= 0.726 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.3) USER MOD Single : A 39 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1) USER MOD Single : A 40 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.3) USER MOD Single : A 49 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.42) USER MOD Single : A 50 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.51) USER MOD Single : A 54 ASN : amide:sc= 0.0259 X(o=0.026,f=0) USER MOD Single : A 55 SER OG : rot -66:sc= 1.27 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00567 K(o=-0.0057,f=-1.1) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.0094) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.946 F(o=-2.1,f=-0.95) USER MOD Single : A 79 THR OG1 : rot 131:sc= 0.46 USER MOD Single : A 83 SER OG : rot -130:sc= -1.5 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -118:sc= -3.78! (180deg=-5.18!) USER MOD Single : A 107 THR OG1 : rot -157:sc= -1.94 USER MOD Single : A 108 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.42) USER MOD Single : A 109 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 111 THR OG1 : rot -96:sc= 0.00529 USER MOD Single : A 112 GLN : amide:sc=-0.000431 X(o=-0.00043,f=0) USER MOD Single : A 115 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.1) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 11 1.990 18.663 -5.454 1.00 0.00 N ATOM 102 CA SER A 11 1.541 17.316 -5.123 1.00 0.00 C ATOM 103 C SER A 11 1.658 16.390 -6.329 1.00 0.00 C ATOM 104 O SER A 11 1.655 16.843 -7.474 1.00 0.00 O ATOM 105 CB SER A 11 0.093 17.345 -4.626 1.00 0.00 C ATOM 106 OG SER A 11 -0.476 16.047 -4.636 1.00 0.00 O ATOM 0 HA SER A 11 2.183 16.932 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.060 17.752 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.498 18.009 -5.257 1.00 0.00 H new ATOM 0 HG SER A 11 -0.182 15.555 -3.841 1.00 0.00 H new ATOM 111 N GLN A 12 1.762 15.091 -6.066 1.00 0.00 N ATOM 112 CA GLN A 12 1.880 14.103 -7.132 1.00 0.00 C ATOM 113 C GLN A 12 1.089 12.842 -6.798 1.00 0.00 C ATOM 114 O GLN A 12 0.827 12.551 -5.631 1.00 0.00 O ATOM 115 CB GLN A 12 3.350 13.749 -7.367 1.00 0.00 C ATOM 116 CG GLN A 12 4.113 13.433 -6.092 1.00 0.00 C ATOM 117 CD GLN A 12 5.574 13.830 -6.173 1.00 0.00 C ATOM 118 OE1 GLN A 12 6.128 13.982 -7.261 1.00 0.00 O ATOM 119 NE2 GLN A 12 6.206 14.000 -5.017 1.00 0.00 N ATOM 0 H GLN A 12 1.767 14.699 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 12 1.467 14.538 -8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.405 12.890 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.838 14.580 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.645 13.952 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.041 12.365 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.707 13.863 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.190 14.267 -5.008 1.00 0.00 H new ATOM 128 N HIS A 13 0.710 12.097 -7.833 1.00 0.00 N ATOM 129 CA HIS A 13 -0.053 10.867 -7.653 1.00 0.00 C ATOM 130 C HIS A 13 0.639 9.695 -8.344 1.00 0.00 C ATOM 131 O HIS A 13 0.863 9.721 -9.555 1.00 0.00 O ATOM 132 CB HIS A 13 -1.471 11.041 -8.202 1.00 0.00 C ATOM 133 CG HIS A 13 -2.117 12.328 -7.794 1.00 0.00 C ATOM 134 ND1 HIS A 13 -2.006 13.053 -6.655 1.00 0.00 N flip ATOM 135 CD2 HIS A 13 -3.000 13.017 -8.598 1.00 0.00 C flip ATOM 136 CE1 HIS A 13 -2.814 14.154 -6.793 1.00 0.00 C flip ATOM 137 NE2 HIS A 13 -3.402 14.110 -7.974 1.00 0.00 N flip ATOM 0 H HIS A 13 0.919 12.324 -8.805 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.110 10.651 -6.586 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.439 10.989 -9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.088 10.210 -7.861 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -1.429 12.823 -5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.314 12.711 -9.585 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.947 14.931 -6.055 1.00 0.00 H new ATOM 146 N PHE A 14 0.977 8.670 -7.568 1.00 0.00 N ATOM 147 CA PHE A 14 1.646 7.489 -8.106 1.00 0.00 C ATOM 148 C PHE A 14 0.709 6.286 -8.111 1.00 0.00 C ATOM 149 O PHE A 14 0.416 5.709 -7.064 1.00 0.00 O ATOM 150 CB PHE A 14 2.899 7.172 -7.286 1.00 0.00 C ATOM 151 CG PHE A 14 4.022 8.147 -7.501 1.00 0.00 C ATOM 152 CD1 PHE A 14 4.811 8.075 -8.638 1.00 0.00 C ATOM 153 CD2 PHE A 14 4.286 9.135 -6.567 1.00 0.00 C ATOM 154 CE1 PHE A 14 5.843 8.971 -8.839 1.00 0.00 C ATOM 155 CE2 PHE A 14 5.318 10.034 -6.762 1.00 0.00 C ATOM 156 CZ PHE A 14 6.097 9.952 -7.900 1.00 0.00 C ATOM 0 H PHE A 14 0.799 8.633 -6.564 1.00 0.00 H new ATOM 0 HA PHE A 14 1.936 7.703 -9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.637 7.160 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.245 6.170 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.617 7.310 -9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.679 9.204 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.451 8.905 -9.729 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.515 10.799 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.903 10.654 -8.055 1.00 0.00 H new ATOM 166 N ASN A 15 0.243 5.913 -9.300 1.00 0.00 N ATOM 167 CA ASN A 15 -0.665 4.779 -9.451 1.00 0.00 C ATOM 168 C ASN A 15 -0.118 3.531 -8.762 1.00 0.00 C ATOM 169 O ASN A 15 0.874 2.951 -9.201 1.00 0.00 O ATOM 170 CB ASN A 15 -0.908 4.490 -10.932 1.00 0.00 C ATOM 171 CG ASN A 15 -2.061 5.297 -11.497 1.00 0.00 C ATOM 172 OD1 ASN A 15 -2.096 6.522 -11.375 1.00 0.00 O ATOM 173 ND2 ASN A 15 -3.014 4.612 -12.119 1.00 0.00 N ATOM 0 H ASN A 15 0.480 6.381 -10.175 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.609 5.043 -8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.002 4.712 -11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.113 3.428 -11.063 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.815 5.101 -12.519 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.945 3.597 -12.197 1.00 0.00 H new ATOM 180 N LEU A 16 -0.778 3.123 -7.683 1.00 0.00 N ATOM 181 CA LEU A 16 -0.369 1.942 -6.933 1.00 0.00 C ATOM 182 C LEU A 16 -1.172 0.723 -7.375 1.00 0.00 C ATOM 183 O LEU A 16 -2.402 0.754 -7.395 1.00 0.00 O ATOM 184 CB LEU A 16 -0.561 2.175 -5.433 1.00 0.00 C ATOM 185 CG LEU A 16 0.136 1.163 -4.523 1.00 0.00 C ATOM 186 CD1 LEU A 16 1.648 1.294 -4.635 1.00 0.00 C ATOM 187 CD2 LEU A 16 -0.315 1.347 -3.081 1.00 0.00 C ATOM 0 H LEU A 16 -1.601 3.595 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 16 0.687 1.757 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.197 3.172 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.629 2.162 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.143 0.160 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.126 0.565 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.954 1.111 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.949 2.299 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.190 0.619 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.066 2.354 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.393 1.199 -3.015 1.00 0.00 H new ATOM 199 N ASN A 17 -0.473 -0.348 -7.736 1.00 0.00 N ATOM 200 CA ASN A 17 -1.135 -1.568 -8.183 1.00 0.00 C ATOM 201 C ASN A 17 -0.387 -2.812 -7.713 1.00 0.00 C ATOM 202 O ASN A 17 0.844 -2.844 -7.696 1.00 0.00 O ATOM 203 CB ASN A 17 -1.251 -1.577 -9.708 1.00 0.00 C ATOM 204 CG ASN A 17 -2.066 -0.411 -10.232 1.00 0.00 C ATOM 205 OD1 ASN A 17 -1.517 0.607 -10.652 1.00 0.00 O ATOM 206 ND2 ASN A 17 -3.386 -0.555 -10.211 1.00 0.00 N ATOM 0 H ASN A 17 0.546 -0.396 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.132 -1.586 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.253 -1.545 -10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.711 -2.512 -10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.986 0.196 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.799 -1.416 -9.854 1.00 0.00 H new ATOM 213 N PHE A 18 -1.146 -3.837 -7.338 1.00 0.00 N ATOM 214 CA PHE A 18 -0.572 -5.095 -6.873 1.00 0.00 C ATOM 215 C PHE A 18 -1.673 -6.096 -6.539 1.00 0.00 C ATOM 216 O PHE A 18 -2.531 -5.832 -5.697 1.00 0.00 O ATOM 217 CB PHE A 18 0.320 -4.862 -5.650 1.00 0.00 C ATOM 218 CG PHE A 18 -0.412 -4.320 -4.457 1.00 0.00 C ATOM 219 CD1 PHE A 18 -0.777 -2.983 -4.399 1.00 0.00 C ATOM 220 CD2 PHE A 18 -0.733 -5.145 -3.391 1.00 0.00 C ATOM 221 CE1 PHE A 18 -1.447 -2.481 -3.301 1.00 0.00 C ATOM 222 CE2 PHE A 18 -1.404 -4.648 -2.290 1.00 0.00 C ATOM 223 CZ PHE A 18 -1.761 -3.314 -2.244 1.00 0.00 C ATOM 0 H PHE A 18 -2.166 -3.820 -7.347 1.00 0.00 H new ATOM 0 HA PHE A 18 0.040 -5.506 -7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.796 -5.803 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.117 -4.169 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.534 -2.327 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.456 -6.188 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.725 -1.438 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.649 -5.302 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.284 -2.923 -1.384 1.00 0.00 H new ATOM 233 N THR A 19 -1.648 -7.242 -7.212 1.00 0.00 N ATOM 234 CA THR A 19 -2.649 -8.281 -6.996 1.00 0.00 C ATOM 235 C THR A 19 -2.400 -9.022 -5.686 1.00 0.00 C ATOM 236 O THR A 19 -1.263 -9.357 -5.355 1.00 0.00 O ATOM 237 CB THR A 19 -2.645 -9.271 -8.162 1.00 0.00 C ATOM 238 OG1 THR A 19 -2.864 -8.599 -9.390 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.698 -10.350 -8.036 1.00 0.00 C ATOM 0 H THR A 19 -0.944 -7.475 -7.913 1.00 0.00 H new ATOM 0 HA THR A 19 -3.625 -7.799 -6.937 1.00 0.00 H new ATOM 0 HB THR A 19 -1.662 -9.741 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.002 -8.371 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.640 -11.017 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.528 -10.919 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.686 -9.891 -7.999 1.00 0.00 H new ATOM 247 N ILE A 20 -3.476 -9.279 -4.948 1.00 0.00 N ATOM 248 CA ILE A 20 -3.382 -9.985 -3.676 1.00 0.00 C ATOM 249 C ILE A 20 -3.897 -11.414 -3.804 1.00 0.00 C ATOM 250 O ILE A 20 -5.062 -11.639 -4.135 1.00 0.00 O ATOM 251 CB ILE A 20 -4.177 -9.263 -2.572 1.00 0.00 C ATOM 252 CG1 ILE A 20 -3.814 -7.778 -2.537 1.00 0.00 C ATOM 253 CG2 ILE A 20 -3.914 -9.910 -1.220 1.00 0.00 C ATOM 254 CD1 ILE A 20 -4.833 -6.923 -1.814 1.00 0.00 C ATOM 0 H ILE A 20 -4.424 -9.008 -5.210 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.327 -10.003 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.240 -9.352 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.844 -7.661 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.706 -7.414 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.483 -9.389 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.220 -10.956 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.851 -9.850 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.510 -5.882 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.799 -7.010 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.924 -7.260 -0.782 1.00 0.00 H new ATOM 266 N THR A 21 -3.022 -12.379 -3.541 1.00 0.00 N ATOM 267 CA THR A 21 -3.387 -13.789 -3.626 1.00 0.00 C ATOM 268 C THR A 21 -4.231 -14.210 -2.427 1.00 0.00 C ATOM 269 O THR A 21 -4.998 -15.169 -2.504 1.00 0.00 O ATOM 270 CB THR A 21 -2.130 -14.657 -3.711 1.00 0.00 C ATOM 271 OG1 THR A 21 -1.436 -14.654 -2.476 1.00 0.00 O ATOM 272 CG2 THR A 21 -1.163 -14.206 -4.783 1.00 0.00 C ATOM 0 H THR A 21 -2.054 -12.210 -3.267 1.00 0.00 H new ATOM 0 HA THR A 21 -3.981 -13.930 -4.529 1.00 0.00 H new ATOM 0 HB THR A 21 -2.484 -15.657 -3.963 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.360 -13.735 -2.145 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.294 -14.864 -4.789 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.654 -14.244 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.843 -13.184 -4.578 1.00 0.00 H new ATOM 280 N ASN A 22 -4.084 -13.487 -1.319 1.00 0.00 N ATOM 281 CA ASN A 22 -4.835 -13.789 -0.106 1.00 0.00 C ATOM 282 C ASN A 22 -6.130 -12.982 -0.054 1.00 0.00 C ATOM 283 O ASN A 22 -6.478 -12.410 0.980 1.00 0.00 O ATOM 284 CB ASN A 22 -3.985 -13.494 1.131 1.00 0.00 C ATOM 285 CG ASN A 22 -4.548 -14.129 2.387 1.00 0.00 C ATOM 286 OD1 ASN A 22 -5.518 -14.885 2.332 1.00 0.00 O ATOM 287 ND2 ASN A 22 -3.942 -13.824 3.528 1.00 0.00 N ATOM 0 H ASN A 22 -3.453 -12.690 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.089 -14.849 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.971 -13.859 0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.917 -12.415 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.277 -14.221 4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.141 -13.193 3.527 1.00 0.00 H new ATOM 294 N LEU A 23 -6.841 -12.943 -1.176 1.00 0.00 N ATOM 295 CA LEU A 23 -8.097 -12.209 -1.261 1.00 0.00 C ATOM 296 C LEU A 23 -8.919 -12.680 -2.459 1.00 0.00 C ATOM 297 O LEU A 23 -8.794 -12.140 -3.558 1.00 0.00 O ATOM 298 CB LEU A 23 -7.827 -10.706 -1.373 1.00 0.00 C ATOM 299 CG LEU A 23 -8.936 -9.807 -0.824 1.00 0.00 C ATOM 300 CD1 LEU A 23 -10.179 -9.902 -1.693 1.00 0.00 C ATOM 301 CD2 LEU A 23 -9.259 -10.177 0.616 1.00 0.00 C ATOM 0 H LEU A 23 -6.568 -13.412 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.666 -12.402 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.901 -10.478 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.665 -10.458 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.584 -8.776 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.957 -9.256 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.938 -9.586 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.534 -10.932 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.050 -9.527 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.591 -11.214 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.368 -10.055 1.232 1.00 0.00 H new ATOM 313 N PRO A 24 -9.773 -13.700 -2.262 1.00 0.00 N ATOM 314 CA PRO A 24 -10.614 -14.242 -3.335 1.00 0.00 C ATOM 315 C PRO A 24 -11.660 -13.241 -3.813 1.00 0.00 C ATOM 316 O PRO A 24 -12.424 -12.697 -3.015 1.00 0.00 O ATOM 317 CB PRO A 24 -11.289 -15.455 -2.689 1.00 0.00 C ATOM 318 CG PRO A 24 -11.249 -15.180 -1.224 1.00 0.00 C ATOM 319 CD PRO A 24 -9.985 -14.404 -0.985 1.00 0.00 C ATOM 0 HA PRO A 24 -10.030 -14.489 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.314 -15.571 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.762 -16.377 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.123 -14.609 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.252 -16.108 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.092 -13.707 -0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.149 -15.061 -0.744 1.00 0.00 H new ATOM 327 N TYR A 25 -11.689 -13.002 -5.120 1.00 0.00 N ATOM 328 CA TYR A 25 -12.641 -12.066 -5.706 1.00 0.00 C ATOM 329 C TYR A 25 -14.024 -12.699 -5.826 1.00 0.00 C ATOM 330 O TYR A 25 -14.338 -13.341 -6.828 1.00 0.00 O ATOM 331 CB TYR A 25 -12.155 -11.608 -7.082 1.00 0.00 C ATOM 332 CG TYR A 25 -12.937 -10.442 -7.644 1.00 0.00 C ATOM 333 CD1 TYR A 25 -12.612 -9.135 -7.303 1.00 0.00 C ATOM 334 CD2 TYR A 25 -13.999 -10.647 -8.516 1.00 0.00 C ATOM 335 CE1 TYR A 25 -13.323 -8.067 -7.814 1.00 0.00 C ATOM 336 CE2 TYR A 25 -14.715 -9.584 -9.032 1.00 0.00 C ATOM 337 CZ TYR A 25 -14.373 -8.297 -8.678 1.00 0.00 C ATOM 338 OH TYR A 25 -15.084 -7.235 -9.190 1.00 0.00 O ATOM 0 H TYR A 25 -11.064 -13.444 -5.794 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.714 -11.201 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -11.104 -11.329 -7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.218 -12.445 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.790 -8.951 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -14.269 -11.655 -8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.058 -7.057 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -15.538 -9.761 -9.709 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.789 -7.569 -9.783 1.00 0.00 H new ATOM 348 N SER A 26 -14.846 -12.510 -4.800 1.00 0.00 N ATOM 349 CA SER A 26 -16.196 -13.062 -4.791 1.00 0.00 C ATOM 350 C SER A 26 -17.237 -11.953 -4.915 1.00 0.00 C ATOM 351 O SER A 26 -16.896 -10.772 -4.951 1.00 0.00 O ATOM 352 CB SER A 26 -16.435 -13.861 -3.509 1.00 0.00 C ATOM 353 OG SER A 26 -15.885 -15.163 -3.608 1.00 0.00 O ATOM 0 H SER A 26 -14.602 -11.979 -3.964 1.00 0.00 H new ATOM 0 HA SER A 26 -16.296 -13.728 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.989 -13.338 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.505 -13.929 -3.314 1.00 0.00 H new ATOM 0 HG SER A 26 -16.050 -15.652 -2.775 1.00 0.00 H new ATOM 359 N GLN A 27 -18.504 -12.345 -4.980 1.00 0.00 N ATOM 360 CA GLN A 27 -19.595 -11.384 -5.099 1.00 0.00 C ATOM 361 C GLN A 27 -19.601 -10.417 -3.919 1.00 0.00 C ATOM 362 O GLN A 27 -20.009 -9.263 -4.052 1.00 0.00 O ATOM 363 CB GLN A 27 -20.937 -12.113 -5.182 1.00 0.00 C ATOM 364 CG GLN A 27 -22.002 -11.344 -5.947 1.00 0.00 C ATOM 365 CD GLN A 27 -23.403 -11.847 -5.661 1.00 0.00 C ATOM 366 OE1 GLN A 27 -23.948 -11.619 -4.582 1.00 0.00 O ATOM 367 NE2 GLN A 27 -23.993 -12.536 -6.631 1.00 0.00 N ATOM 0 H GLN A 27 -18.801 -13.320 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 27 -19.443 -10.811 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -20.786 -13.081 -5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.297 -12.309 -4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -21.939 -10.287 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -21.803 -11.421 -7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.503 -12.701 -7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -24.936 -12.900 -6.497 1.00 0.00 H new ATOM 376 N ASP A 28 -19.146 -10.895 -2.766 1.00 0.00 N ATOM 377 CA ASP A 28 -19.098 -10.073 -1.562 1.00 0.00 C ATOM 378 C ASP A 28 -18.197 -8.859 -1.768 1.00 0.00 C ATOM 379 O ASP A 28 -18.414 -7.805 -1.171 1.00 0.00 O ATOM 380 CB ASP A 28 -18.599 -10.898 -0.374 1.00 0.00 C ATOM 381 CG ASP A 28 -19.563 -12.005 0.004 1.00 0.00 C ATOM 382 OD1 ASP A 28 -20.788 -11.782 -0.081 1.00 0.00 O ATOM 383 OD2 ASP A 28 -19.090 -13.096 0.387 1.00 0.00 O ATOM 0 H ASP A 28 -18.805 -11.848 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.108 -9.722 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -17.629 -11.332 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.449 -10.242 0.483 1.00 0.00 H new ATOM 388 N ILE A 29 -17.185 -9.016 -2.616 1.00 0.00 N ATOM 389 CA ILE A 29 -16.253 -7.929 -2.899 1.00 0.00 C ATOM 390 C ILE A 29 -16.725 -7.082 -4.081 1.00 0.00 C ATOM 391 O ILE A 29 -15.969 -6.270 -4.613 1.00 0.00 O ATOM 392 CB ILE A 29 -14.840 -8.468 -3.200 1.00 0.00 C ATOM 393 CG1 ILE A 29 -14.418 -9.480 -2.132 1.00 0.00 C ATOM 394 CG2 ILE A 29 -13.840 -7.323 -3.274 1.00 0.00 C ATOM 395 CD1 ILE A 29 -14.388 -8.905 -0.733 1.00 0.00 C ATOM 0 H ILE A 29 -16.990 -9.882 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.217 -7.306 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.859 -8.972 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.104 -10.326 -2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.429 -9.866 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.847 -7.720 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.133 -6.634 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.822 -6.793 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.081 -9.678 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.680 -8.077 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.382 -8.545 -0.466 1.00 0.00 H new ATOM 407 N ALA A 30 -17.979 -7.271 -4.485 1.00 0.00 N ATOM 408 CA ALA A 30 -18.543 -6.518 -5.598 1.00 0.00 C ATOM 409 C ALA A 30 -19.844 -5.827 -5.194 1.00 0.00 C ATOM 410 O ALA A 30 -20.658 -5.469 -6.046 1.00 0.00 O ATOM 411 CB ALA A 30 -18.779 -7.437 -6.788 1.00 0.00 C ATOM 0 H ALA A 30 -18.621 -7.938 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 30 -17.827 -5.747 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -19.201 -6.863 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.833 -7.879 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.473 -8.228 -6.505 1.00 0.00 H new ATOM 417 N GLN A 31 -20.032 -5.643 -3.890 1.00 0.00 N ATOM 418 CA GLN A 31 -21.232 -4.996 -3.372 1.00 0.00 C ATOM 419 C GLN A 31 -20.975 -4.418 -1.980 1.00 0.00 C ATOM 420 O GLN A 31 -20.830 -5.163 -1.011 1.00 0.00 O ATOM 421 CB GLN A 31 -22.389 -5.995 -3.316 1.00 0.00 C ATOM 422 CG GLN A 31 -23.270 -5.977 -4.556 1.00 0.00 C ATOM 423 CD GLN A 31 -24.628 -5.352 -4.301 1.00 0.00 C ATOM 424 OE1 GLN A 31 -25.049 -5.200 -3.154 1.00 0.00 O ATOM 425 NE2 GLN A 31 -25.322 -4.987 -5.372 1.00 0.00 N ATOM 0 H GLN A 31 -19.367 -5.933 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.498 -4.180 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.985 -6.999 -3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -23.003 -5.779 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -22.764 -5.425 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.406 -6.997 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -24.935 -5.132 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -26.243 -4.562 -5.263 1.00 0.00 H new ATOM 434 N PRO A 32 -20.911 -3.079 -1.859 1.00 0.00 N ATOM 435 CA PRO A 32 -20.667 -2.416 -0.573 1.00 0.00 C ATOM 436 C PRO A 32 -21.664 -2.838 0.501 1.00 0.00 C ATOM 437 O PRO A 32 -21.393 -2.710 1.695 1.00 0.00 O ATOM 438 CB PRO A 32 -20.823 -0.928 -0.896 1.00 0.00 C ATOM 439 CG PRO A 32 -20.568 -0.824 -2.360 1.00 0.00 C ATOM 440 CD PRO A 32 -21.069 -2.108 -2.958 1.00 0.00 C ATOM 0 HA PRO A 32 -19.689 -2.674 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.821 -0.571 -0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -20.115 -0.324 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.087 0.034 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.506 -0.687 -2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.109 -2.025 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.490 -2.396 -3.835 1.00 0.00 H new ATOM 448 N SER A 33 -22.817 -3.344 0.073 1.00 0.00 N ATOM 449 CA SER A 33 -23.849 -3.785 1.003 1.00 0.00 C ATOM 450 C SER A 33 -23.315 -4.869 1.937 1.00 0.00 C ATOM 451 O SER A 33 -23.779 -5.010 3.068 1.00 0.00 O ATOM 452 CB SER A 33 -25.066 -4.310 0.238 1.00 0.00 C ATOM 453 OG SER A 33 -26.126 -4.629 1.122 1.00 0.00 O ATOM 0 H SER A 33 -23.059 -3.458 -0.911 1.00 0.00 H new ATOM 0 HA SER A 33 -24.149 -2.927 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 33 -25.400 -3.560 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 33 -24.786 -5.195 -0.333 1.00 0.00 H new ATOM 0 HG SER A 33 -26.892 -4.961 0.608 1.00 0.00 H new ATOM 459 N THR A 34 -22.338 -5.632 1.456 1.00 0.00 N ATOM 460 CA THR A 34 -21.744 -6.702 2.249 1.00 0.00 C ATOM 461 C THR A 34 -20.610 -6.170 3.121 1.00 0.00 C ATOM 462 O THR A 34 -20.119 -5.062 2.909 1.00 0.00 O ATOM 463 CB THR A 34 -21.222 -7.813 1.337 1.00 0.00 C ATOM 464 OG1 THR A 34 -20.040 -7.404 0.672 1.00 0.00 O ATOM 465 CG2 THR A 34 -22.219 -8.237 0.280 1.00 0.00 C ATOM 0 H THR A 34 -21.942 -5.529 0.522 1.00 0.00 H new ATOM 0 HA THR A 34 -22.518 -7.109 2.899 1.00 0.00 H new ATOM 0 HB THR A 34 -21.031 -8.660 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.867 -8.002 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.786 -9.028 -0.333 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.125 -8.606 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 34 -22.465 -7.383 -0.351 1.00 0.00 H new ATOM 473 N THR A 35 -20.201 -6.967 4.102 1.00 0.00 N ATOM 474 CA THR A 35 -19.126 -6.577 5.009 1.00 0.00 C ATOM 475 C THR A 35 -17.759 -6.867 4.397 1.00 0.00 C ATOM 476 O THR A 35 -16.783 -6.170 4.677 1.00 0.00 O ATOM 477 CB THR A 35 -19.265 -7.312 6.343 1.00 0.00 C ATOM 478 OG1 THR A 35 -20.622 -7.361 6.749 1.00 0.00 O ATOM 479 CG2 THR A 35 -18.473 -6.674 7.463 1.00 0.00 C ATOM 0 H THR A 35 -20.597 -7.888 4.290 1.00 0.00 H new ATOM 0 HA THR A 35 -19.205 -5.504 5.181 1.00 0.00 H new ATOM 0 HB THR A 35 -18.870 -8.312 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.691 -7.836 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.616 -7.245 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 35 -17.415 -6.666 7.202 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.817 -5.651 7.615 1.00 0.00 H new ATOM 487 N LYS A 36 -17.694 -7.901 3.564 1.00 0.00 N ATOM 488 CA LYS A 36 -16.444 -8.284 2.916 1.00 0.00 C ATOM 489 C LYS A 36 -15.872 -7.129 2.099 1.00 0.00 C ATOM 490 O LYS A 36 -14.659 -6.920 2.067 1.00 0.00 O ATOM 491 CB LYS A 36 -16.665 -9.501 2.015 1.00 0.00 C ATOM 492 CG LYS A 36 -15.479 -10.450 1.974 1.00 0.00 C ATOM 493 CD LYS A 36 -15.612 -11.553 3.012 1.00 0.00 C ATOM 494 CE LYS A 36 -14.253 -12.091 3.433 1.00 0.00 C ATOM 495 NZ LYS A 36 -14.220 -13.579 3.435 1.00 0.00 N ATOM 0 H LYS A 36 -18.492 -8.489 3.322 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.726 -8.541 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.543 -10.045 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.881 -9.159 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.399 -10.891 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.559 -9.892 2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.139 -11.170 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.216 -12.365 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.487 -11.712 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.009 -11.721 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.277 -13.905 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.933 -13.941 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.427 -13.932 2.479 1.00 0.00 H new ATOM 509 N TYR A 37 -16.752 -6.385 1.438 1.00 0.00 N ATOM 510 CA TYR A 37 -16.333 -5.252 0.619 1.00 0.00 C ATOM 511 C TYR A 37 -15.831 -4.106 1.491 1.00 0.00 C ATOM 512 O TYR A 37 -14.777 -3.527 1.226 1.00 0.00 O ATOM 513 CB TYR A 37 -17.493 -4.774 -0.256 1.00 0.00 C ATOM 514 CG TYR A 37 -17.144 -3.596 -1.139 1.00 0.00 C ATOM 515 CD1 TYR A 37 -17.282 -2.294 -0.676 1.00 0.00 C ATOM 516 CD2 TYR A 37 -16.678 -3.786 -2.434 1.00 0.00 C ATOM 517 CE1 TYR A 37 -16.967 -1.215 -1.478 1.00 0.00 C ATOM 518 CE2 TYR A 37 -16.360 -2.711 -3.242 1.00 0.00 C ATOM 519 CZ TYR A 37 -16.506 -1.427 -2.760 1.00 0.00 C ATOM 520 OH TYR A 37 -16.191 -0.355 -3.562 1.00 0.00 O ATOM 0 H TYR A 37 -17.759 -6.545 1.453 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.515 -5.581 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.828 -5.600 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.331 -4.501 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.642 -2.123 0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.562 -4.790 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.081 -0.209 -1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.999 -2.876 -4.246 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.880 -0.678 -4.433 1.00 0.00 H new ATOM 530 N GLN A 38 -16.592 -3.782 2.531 1.00 0.00 N ATOM 531 CA GLN A 38 -16.224 -2.702 3.441 1.00 0.00 C ATOM 532 C GLN A 38 -15.021 -3.094 4.294 1.00 0.00 C ATOM 533 O GLN A 38 -14.215 -2.245 4.676 1.00 0.00 O ATOM 534 CB GLN A 38 -17.405 -2.342 4.343 1.00 0.00 C ATOM 535 CG GLN A 38 -18.628 -1.860 3.580 1.00 0.00 C ATOM 536 CD GLN A 38 -19.863 -1.768 4.454 1.00 0.00 C ATOM 537 OE1 GLN A 38 -19.860 -2.215 5.601 1.00 0.00 O ATOM 538 NE2 GLN A 38 -20.928 -1.185 3.915 1.00 0.00 N ATOM 0 H GLN A 38 -17.467 -4.251 2.765 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.954 -1.833 2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -17.678 -3.215 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -17.094 -1.566 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.420 -0.881 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -18.825 -2.539 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -20.886 -0.829 2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.788 -1.094 4.456 1.00 0.00 H new ATOM 547 N GLN A 39 -14.907 -4.384 4.591 1.00 0.00 N ATOM 548 CA GLN A 39 -13.804 -4.887 5.400 1.00 0.00 C ATOM 549 C GLN A 39 -12.493 -4.854 4.620 1.00 0.00 C ATOM 550 O GLN A 39 -11.522 -4.228 5.045 1.00 0.00 O ATOM 551 CB GLN A 39 -14.096 -6.314 5.868 1.00 0.00 C ATOM 552 CG GLN A 39 -14.875 -6.381 7.171 1.00 0.00 C ATOM 553 CD GLN A 39 -14.473 -7.562 8.032 1.00 0.00 C ATOM 554 OE1 GLN A 39 -13.870 -8.521 7.547 1.00 0.00 O ATOM 555 NE2 GLN A 39 -14.806 -7.500 9.315 1.00 0.00 N ATOM 0 H GLN A 39 -15.565 -5.100 4.283 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.703 -4.239 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.658 -6.834 5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.153 -6.847 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.719 -5.459 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.941 -6.444 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.305 -6.686 9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.563 -8.266 9.943 1.00 0.00 H new ATOM 564 N THR A 40 -12.473 -5.532 3.477 1.00 0.00 N ATOM 565 CA THR A 40 -11.281 -5.583 2.637 1.00 0.00 C ATOM 566 C THR A 40 -10.832 -4.181 2.237 1.00 0.00 C ATOM 567 O THR A 40 -9.639 -3.873 2.250 1.00 0.00 O ATOM 568 CB THR A 40 -11.549 -6.420 1.385 1.00 0.00 C ATOM 569 OG1 THR A 40 -12.141 -7.660 1.729 1.00 0.00 O ATOM 570 CG2 THR A 40 -10.301 -6.713 0.582 1.00 0.00 C ATOM 0 H THR A 40 -13.269 -6.054 3.111 1.00 0.00 H new ATOM 0 HA THR A 40 -10.483 -6.048 3.215 1.00 0.00 H new ATOM 0 HB THR A 40 -12.221 -5.818 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.117 -7.571 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.562 -7.310 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.848 -5.776 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.592 -7.265 1.200 1.00 0.00 H new ATOM 578 N LYS A 41 -11.792 -3.334 1.881 1.00 0.00 N ATOM 579 CA LYS A 41 -11.493 -1.965 1.477 1.00 0.00 C ATOM 580 C LYS A 41 -10.795 -1.204 2.600 1.00 0.00 C ATOM 581 O LYS A 41 -9.749 -0.589 2.390 1.00 0.00 O ATOM 582 CB LYS A 41 -12.777 -1.238 1.074 1.00 0.00 C ATOM 583 CG LYS A 41 -12.532 0.006 0.235 1.00 0.00 C ATOM 584 CD LYS A 41 -13.831 0.732 -0.077 1.00 0.00 C ATOM 585 CE LYS A 41 -13.646 1.756 -1.187 1.00 0.00 C ATOM 586 NZ LYS A 41 -14.138 1.249 -2.497 1.00 0.00 N ATOM 0 H LYS A 41 -12.784 -3.572 1.864 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.822 -2.005 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.413 -1.924 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.324 -0.958 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.857 0.677 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.037 -0.273 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.591 0.009 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.195 1.230 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.178 2.671 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.590 2.014 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.410 2.052 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.385 0.705 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.964 0.636 -2.344 1.00 0.00 H new ATOM 600 N ARG A 42 -11.379 -1.250 3.792 1.00 0.00 N ATOM 601 CA ARG A 42 -10.813 -0.563 4.948 1.00 0.00 C ATOM 602 C ARG A 42 -9.494 -1.202 5.370 1.00 0.00 C ATOM 603 O ARG A 42 -8.571 -0.514 5.807 1.00 0.00 O ATOM 604 CB ARG A 42 -11.804 -0.585 6.115 1.00 0.00 C ATOM 605 CG ARG A 42 -12.003 0.774 6.768 1.00 0.00 C ATOM 606 CD ARG A 42 -13.455 0.999 7.164 1.00 0.00 C ATOM 607 NE ARG A 42 -13.653 0.881 8.606 1.00 0.00 N ATOM 608 CZ ARG A 42 -13.365 1.847 9.476 1.00 0.00 C ATOM 609 NH1 ARG A 42 -12.864 3.001 9.054 1.00 0.00 N ATOM 610 NH2 ARG A 42 -13.577 1.657 10.771 1.00 0.00 N ATOM 0 H ARG A 42 -12.244 -1.756 3.984 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.618 0.472 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.766 -0.952 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.453 -1.292 6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.369 0.850 7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.687 1.558 6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.772 1.989 6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.087 0.275 6.651 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.034 0.007 8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.698 3.151 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.645 3.738 9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.961 0.771 11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.357 2.397 11.438 1.00 0.00 H new ATOM 624 N SER A 43 -9.411 -2.522 5.238 1.00 0.00 N ATOM 625 CA SER A 43 -8.204 -3.253 5.607 1.00 0.00 C ATOM 626 C SER A 43 -7.010 -2.788 4.778 1.00 0.00 C ATOM 627 O SER A 43 -5.941 -2.503 5.319 1.00 0.00 O ATOM 628 CB SER A 43 -8.415 -4.755 5.418 1.00 0.00 C ATOM 629 OG SER A 43 -7.712 -5.497 6.400 1.00 0.00 O ATOM 0 H SER A 43 -10.165 -3.107 4.878 1.00 0.00 H new ATOM 0 HA SER A 43 -7.995 -3.051 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.479 -4.986 5.476 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.078 -5.050 4.424 1.00 0.00 H new ATOM 0 HG SER A 43 -7.865 -6.455 6.258 1.00 0.00 H new ATOM 635 N ILE A 44 -7.199 -2.714 3.465 1.00 0.00 N ATOM 636 CA ILE A 44 -6.136 -2.284 2.564 1.00 0.00 C ATOM 637 C ILE A 44 -5.822 -0.803 2.750 1.00 0.00 C ATOM 638 O ILE A 44 -4.663 -0.420 2.917 1.00 0.00 O ATOM 639 CB ILE A 44 -6.509 -2.539 1.090 1.00 0.00 C ATOM 640 CG1 ILE A 44 -6.951 -3.991 0.896 1.00 0.00 C ATOM 641 CG2 ILE A 44 -5.335 -2.212 0.180 1.00 0.00 C ATOM 642 CD1 ILE A 44 -7.848 -4.193 -0.306 1.00 0.00 C ATOM 0 H ILE A 44 -8.077 -2.946 3.001 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.254 -2.873 2.814 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.341 -1.887 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.067 -4.620 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.475 -4.326 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.616 -2.398 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.063 -1.163 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.484 -2.840 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.123 -5.245 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.749 -3.590 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.319 -3.890 -1.210 1.00 0.00 H new ATOM 654 N GLU A 45 -6.860 0.025 2.722 1.00 0.00 N ATOM 655 CA GLU A 45 -6.694 1.465 2.887 1.00 0.00 C ATOM 656 C GLU A 45 -6.059 1.787 4.237 1.00 0.00 C ATOM 657 O GLU A 45 -5.235 2.695 4.345 1.00 0.00 O ATOM 658 CB GLU A 45 -8.045 2.174 2.758 1.00 0.00 C ATOM 659 CG GLU A 45 -8.126 3.113 1.566 1.00 0.00 C ATOM 660 CD GLU A 45 -7.242 4.334 1.723 1.00 0.00 C ATOM 661 OE1 GLU A 45 -7.712 5.337 2.299 1.00 0.00 O ATOM 662 OE2 GLU A 45 -6.078 4.286 1.271 1.00 0.00 O ATOM 0 H GLU A 45 -7.825 -0.276 2.587 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.030 1.823 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.833 1.425 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.238 2.740 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.837 2.574 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.159 3.432 1.430 1.00 0.00 H new ATOM 669 N ASN A 46 -6.449 1.038 5.263 1.00 0.00 N ATOM 670 CA ASN A 46 -5.918 1.245 6.605 1.00 0.00 C ATOM 671 C ASN A 46 -4.481 0.744 6.705 1.00 0.00 C ATOM 672 O ASN A 46 -3.637 1.373 7.346 1.00 0.00 O ATOM 673 CB ASN A 46 -6.792 0.531 7.637 1.00 0.00 C ATOM 674 CG ASN A 46 -6.353 0.812 9.061 1.00 0.00 C ATOM 675 OD1 ASN A 46 -5.576 1.732 9.313 1.00 0.00 O ATOM 676 ND2 ASN A 46 -6.849 0.015 10.001 1.00 0.00 N ATOM 0 H ASN A 46 -7.131 0.283 5.191 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.925 2.315 6.811 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.828 0.845 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.760 -0.543 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.588 0.154 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.491 -0.736 9.746 1.00 0.00 H new ATOM 683 N ALA A 47 -4.210 -0.391 6.071 1.00 0.00 N ATOM 684 CA ALA A 47 -2.875 -0.976 6.089 1.00 0.00 C ATOM 685 C ALA A 47 -1.881 -0.101 5.332 1.00 0.00 C ATOM 686 O ALA A 47 -0.730 0.046 5.744 1.00 0.00 O ATOM 687 CB ALA A 47 -2.905 -2.378 5.496 1.00 0.00 C ATOM 0 H ALA A 47 -4.897 -0.924 5.538 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.547 -1.039 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.901 -2.803 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.577 -3.006 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.258 -2.330 4.466 1.00 0.00 H new ATOM 693 N LEU A 48 -2.332 0.476 4.224 1.00 0.00 N ATOM 694 CA LEU A 48 -1.482 1.336 3.409 1.00 0.00 C ATOM 695 C LEU A 48 -1.087 2.595 4.174 1.00 0.00 C ATOM 696 O LEU A 48 0.089 2.957 4.229 1.00 0.00 O ATOM 697 CB LEU A 48 -2.200 1.716 2.112 1.00 0.00 C ATOM 698 CG LEU A 48 -2.250 0.615 1.053 1.00 0.00 C ATOM 699 CD1 LEU A 48 -3.190 1.002 -0.077 1.00 0.00 C ATOM 700 CD2 LEU A 48 -0.855 0.332 0.514 1.00 0.00 C ATOM 0 H LEU A 48 -3.282 0.364 3.869 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.575 0.783 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.221 2.013 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.707 2.589 1.684 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.631 -0.294 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.212 0.206 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.193 1.155 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.840 1.923 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.908 -0.454 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.448 1.238 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.208 0.010 1.330 1.00 0.00 H new ATOM 712 N ASN A 49 -2.077 3.260 4.761 1.00 0.00 N ATOM 713 CA ASN A 49 -1.833 4.479 5.523 1.00 0.00 C ATOM 714 C ASN A 49 -0.942 4.200 6.730 1.00 0.00 C ATOM 715 O ASN A 49 -0.170 5.059 7.156 1.00 0.00 O ATOM 716 CB ASN A 49 -3.159 5.095 5.978 1.00 0.00 C ATOM 717 CG ASN A 49 -3.319 6.531 5.520 1.00 0.00 C ATOM 718 OD1 ASN A 49 -2.449 7.369 5.755 1.00 0.00 O ATOM 719 ND2 ASN A 49 -4.435 6.822 4.862 1.00 0.00 N ATOM 0 H ASN A 49 -3.056 2.975 4.723 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.317 5.187 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.985 4.499 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.220 5.055 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.598 7.772 4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.130 6.095 4.689 1.00 0.00 H new ATOM 726 N GLN A 50 -1.056 2.994 7.276 1.00 0.00 N ATOM 727 CA GLN A 50 -0.264 2.600 8.433 1.00 0.00 C ATOM 728 C GLN A 50 1.158 2.232 8.011 1.00 0.00 C ATOM 729 O GLN A 50 2.106 2.393 8.781 1.00 0.00 O ATOM 730 CB GLN A 50 -0.942 1.424 9.153 1.00 0.00 C ATOM 731 CG GLN A 50 0.023 0.438 9.793 1.00 0.00 C ATOM 732 CD GLN A 50 -0.688 -0.679 10.531 1.00 0.00 C ATOM 733 OE1 GLN A 50 -0.490 -1.857 10.237 1.00 0.00 O ATOM 734 NE2 GLN A 50 -1.523 -0.313 11.497 1.00 0.00 N ATOM 0 H GLN A 50 -1.691 2.272 6.934 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.202 3.442 9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.603 1.819 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.568 0.889 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.663 0.009 9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.673 0.970 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.657 0.676 11.708 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.030 -1.021 12.028 1.00 0.00 H new ATOM 743 N LEU A 51 1.300 1.740 6.784 1.00 0.00 N ATOM 744 CA LEU A 51 2.605 1.352 6.263 1.00 0.00 C ATOM 745 C LEU A 51 3.466 2.580 5.981 1.00 0.00 C ATOM 746 O LEU A 51 4.667 2.584 6.251 1.00 0.00 O ATOM 747 CB LEU A 51 2.443 0.524 4.988 1.00 0.00 C ATOM 748 CG LEU A 51 3.705 -0.206 4.525 1.00 0.00 C ATOM 749 CD1 LEU A 51 3.340 -1.473 3.767 1.00 0.00 C ATOM 750 CD2 LEU A 51 4.561 0.707 3.661 1.00 0.00 C ATOM 0 H LEU A 51 0.527 1.601 6.133 1.00 0.00 H new ATOM 0 HA LEU A 51 3.105 0.747 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.655 -0.211 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.107 1.182 4.186 1.00 0.00 H new ATOM 0 HG LEU A 51 4.283 -0.488 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.250 -1.979 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.768 -2.134 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.740 -1.215 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.455 0.172 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.991 1.019 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.851 1.586 4.237 1.00 0.00 H new ATOM 762 N PHE A 52 2.844 3.618 5.433 1.00 0.00 N ATOM 763 CA PHE A 52 3.553 4.852 5.112 1.00 0.00 C ATOM 764 C PHE A 52 4.071 5.528 6.378 1.00 0.00 C ATOM 765 O PHE A 52 5.212 5.986 6.426 1.00 0.00 O ATOM 766 CB PHE A 52 2.637 5.810 4.347 1.00 0.00 C ATOM 767 CG PHE A 52 1.839 5.143 3.263 1.00 0.00 C ATOM 768 CD1 PHE A 52 2.434 4.227 2.410 1.00 0.00 C ATOM 769 CD2 PHE A 52 0.494 5.431 3.098 1.00 0.00 C ATOM 770 CE1 PHE A 52 1.702 3.612 1.413 1.00 0.00 C ATOM 771 CE2 PHE A 52 -0.243 4.820 2.103 1.00 0.00 C ATOM 772 CZ PHE A 52 0.361 3.909 1.258 1.00 0.00 C ATOM 0 H PHE A 52 1.851 3.630 5.202 1.00 0.00 H new ATOM 0 HA PHE A 52 4.406 4.597 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.953 6.285 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.241 6.603 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.482 3.991 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.016 6.142 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.177 2.900 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.291 5.054 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.213 3.430 0.478 1.00 0.00 H new ATOM 782 N ARG A 53 3.223 5.587 7.401 1.00 0.00 N ATOM 783 CA ARG A 53 3.595 6.207 8.668 1.00 0.00 C ATOM 784 C ARG A 53 4.845 5.554 9.251 1.00 0.00 C ATOM 785 O ARG A 53 5.608 6.192 9.978 1.00 0.00 O ATOM 786 CB ARG A 53 2.439 6.107 9.666 1.00 0.00 C ATOM 787 CG ARG A 53 1.506 7.307 9.637 1.00 0.00 C ATOM 788 CD ARG A 53 0.046 6.885 9.562 1.00 0.00 C ATOM 789 NE ARG A 53 -0.681 7.209 10.788 1.00 0.00 N ATOM 790 CZ ARG A 53 -0.905 8.450 11.211 1.00 0.00 C ATOM 791 NH1 ARG A 53 -0.460 9.488 10.512 1.00 0.00 N ATOM 792 NH2 ARG A 53 -1.576 8.657 12.336 1.00 0.00 N ATOM 0 H ARG A 53 2.274 5.213 7.377 1.00 0.00 H new ATOM 0 HA ARG A 53 3.814 7.258 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.864 5.205 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.846 5.998 10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.664 7.912 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.748 7.935 8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.431 7.379 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.012 5.812 9.379 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.038 6.438 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.057 9.336 9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.635 10.437 10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.921 7.864 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.747 9.609 12.660 1.00 0.00 H new ATOM 806 N ASN A 54 5.050 4.282 8.928 1.00 0.00 N ATOM 807 CA ASN A 54 6.208 3.544 9.419 1.00 0.00 C ATOM 808 C ASN A 54 7.325 3.519 8.378 1.00 0.00 C ATOM 809 O ASN A 54 8.496 3.341 8.716 1.00 0.00 O ATOM 810 CB ASN A 54 5.810 2.115 9.789 1.00 0.00 C ATOM 811 CG ASN A 54 5.361 1.995 11.232 1.00 0.00 C ATOM 812 OD1 ASN A 54 6.177 1.798 12.133 1.00 0.00 O ATOM 813 ND2 ASN A 54 4.058 2.111 11.459 1.00 0.00 N ATOM 0 H ASN A 54 4.429 3.740 8.328 1.00 0.00 H new ATOM 0 HA ASN A 54 6.578 4.054 10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.006 1.783 9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.656 1.449 9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.698 2.037 12.410 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.417 2.274 10.682 1.00 0.00 H new ATOM 820 N SER A 55 6.958 3.695 7.112 1.00 0.00 N ATOM 821 CA SER A 55 7.931 3.690 6.023 1.00 0.00 C ATOM 822 C SER A 55 9.040 4.707 6.274 1.00 0.00 C ATOM 823 O SER A 55 8.933 5.550 7.166 1.00 0.00 O ATOM 824 CB SER A 55 7.240 3.991 4.692 1.00 0.00 C ATOM 825 OG SER A 55 7.032 5.383 4.528 1.00 0.00 O ATOM 0 H SER A 55 5.994 3.843 6.814 1.00 0.00 H new ATOM 0 HA SER A 55 8.379 2.697 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.847 3.612 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.284 3.470 4.649 1.00 0.00 H new ATOM 0 HG SER A 55 6.387 5.698 5.195 1.00 0.00 H new ATOM 831 N SER A 56 10.104 4.622 5.482 1.00 0.00 N ATOM 832 CA SER A 56 11.234 5.535 5.618 1.00 0.00 C ATOM 833 C SER A 56 10.819 6.967 5.297 1.00 0.00 C ATOM 834 O SER A 56 11.359 7.920 5.859 1.00 0.00 O ATOM 835 CB SER A 56 12.377 5.104 4.698 1.00 0.00 C ATOM 836 OG SER A 56 13.541 5.877 4.933 1.00 0.00 O ATOM 0 H SER A 56 10.208 3.930 4.739 1.00 0.00 H new ATOM 0 HA SER A 56 11.576 5.499 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.599 4.049 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.070 5.210 3.658 1.00 0.00 H new ATOM 0 HG SER A 56 14.257 5.581 4.333 1.00 0.00 H new ATOM 842 N ILE A 57 9.859 7.112 4.390 1.00 0.00 N ATOM 843 CA ILE A 57 9.373 8.429 3.995 1.00 0.00 C ATOM 844 C ILE A 57 8.106 8.798 4.759 1.00 0.00 C ATOM 845 O ILE A 57 7.122 9.252 4.173 1.00 0.00 O ATOM 846 CB ILE A 57 9.089 8.493 2.482 1.00 0.00 C ATOM 847 CG1 ILE A 57 8.133 7.370 2.070 1.00 0.00 C ATOM 848 CG2 ILE A 57 10.388 8.406 1.694 1.00 0.00 C ATOM 849 CD1 ILE A 57 7.654 7.479 0.639 1.00 0.00 C ATOM 0 H ILE A 57 9.402 6.334 3.915 1.00 0.00 H new ATOM 0 HA ILE A 57 10.160 9.144 4.237 1.00 0.00 H new ATOM 0 HB ILE A 57 8.614 9.448 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.632 6.411 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.270 7.377 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.170 8.453 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.037 9.238 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.889 7.465 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.981 6.651 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.126 8.423 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.510 7.442 -0.035 1.00 0.00 H new ATOM 861 N LYS A 58 8.136 8.600 6.073 1.00 0.00 N ATOM 862 CA LYS A 58 6.991 8.913 6.921 1.00 0.00 C ATOM 863 C LYS A 58 6.968 10.396 7.279 1.00 0.00 C ATOM 864 O LYS A 58 7.009 10.765 8.453 1.00 0.00 O ATOM 865 CB LYS A 58 7.028 8.067 8.196 1.00 0.00 C ATOM 866 CG LYS A 58 8.231 8.353 9.080 1.00 0.00 C ATOM 867 CD LYS A 58 8.573 7.159 9.957 1.00 0.00 C ATOM 868 CE LYS A 58 9.666 7.498 10.958 1.00 0.00 C ATOM 869 NZ LYS A 58 10.600 6.359 11.168 1.00 0.00 N ATOM 0 H LYS A 58 8.941 8.224 6.574 1.00 0.00 H new ATOM 0 HA LYS A 58 6.083 8.679 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.117 8.245 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.031 7.012 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.089 8.607 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.025 9.220 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.681 6.829 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.897 6.327 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.225 8.365 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.213 7.776 11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.330 6.631 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.072 5.539 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.052 6.110 10.265 1.00 0.00 H new ATOM 883 N SER A 59 6.902 11.244 6.258 1.00 0.00 N ATOM 884 CA SER A 59 6.873 12.687 6.464 1.00 0.00 C ATOM 885 C SER A 59 6.134 13.386 5.326 1.00 0.00 C ATOM 886 O SER A 59 5.286 14.247 5.559 1.00 0.00 O ATOM 887 CB SER A 59 8.296 13.236 6.576 1.00 0.00 C ATOM 888 OG SER A 59 8.288 14.597 6.972 1.00 0.00 O ATOM 0 H SER A 59 6.868 10.957 5.280 1.00 0.00 H new ATOM 0 HA SER A 59 6.340 12.885 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.861 12.647 7.299 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.804 13.136 5.617 1.00 0.00 H new ATOM 0 HG SER A 59 9.210 14.924 7.038 1.00 0.00 H new ATOM 894 N TYR A 60 6.462 13.007 4.095 1.00 0.00 N ATOM 895 CA TYR A 60 5.830 13.596 2.920 1.00 0.00 C ATOM 896 C TYR A 60 4.650 12.749 2.455 1.00 0.00 C ATOM 897 O TYR A 60 3.683 13.269 1.897 1.00 0.00 O ATOM 898 CB TYR A 60 6.847 13.742 1.787 1.00 0.00 C ATOM 899 CG TYR A 60 7.938 14.747 2.077 1.00 0.00 C ATOM 900 CD1 TYR A 60 7.658 16.106 2.140 1.00 0.00 C ATOM 901 CD2 TYR A 60 9.248 14.337 2.285 1.00 0.00 C ATOM 902 CE1 TYR A 60 8.653 17.029 2.404 1.00 0.00 C ATOM 903 CE2 TYR A 60 10.250 15.253 2.550 1.00 0.00 C ATOM 904 CZ TYR A 60 9.946 16.597 2.608 1.00 0.00 C ATOM 905 OH TYR A 60 10.939 17.512 2.872 1.00 0.00 O ATOM 0 H TYR A 60 7.162 12.295 3.885 1.00 0.00 H new ATOM 0 HA TYR A 60 5.459 14.583 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.302 12.771 1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.325 14.038 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.646 16.447 1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.489 13.285 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.419 18.082 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.264 14.918 2.710 1.00 0.00 H new ATOM 0 HH TYR A 60 11.792 17.044 2.992 1.00 0.00 H new ATOM 915 N PHE A 61 4.736 11.444 2.688 1.00 0.00 N ATOM 916 CA PHE A 61 3.675 10.525 2.291 1.00 0.00 C ATOM 917 C PHE A 61 2.358 10.890 2.970 1.00 0.00 C ATOM 918 O PHE A 61 2.230 10.794 4.191 1.00 0.00 O ATOM 919 CB PHE A 61 4.061 9.086 2.642 1.00 0.00 C ATOM 920 CG PHE A 61 3.473 8.061 1.714 1.00 0.00 C ATOM 921 CD1 PHE A 61 2.133 8.111 1.364 1.00 0.00 C ATOM 922 CD2 PHE A 61 4.261 7.048 1.193 1.00 0.00 C ATOM 923 CE1 PHE A 61 1.591 7.168 0.510 1.00 0.00 C ATOM 924 CE2 PHE A 61 3.726 6.103 0.339 1.00 0.00 C ATOM 925 CZ PHE A 61 2.388 6.163 -0.004 1.00 0.00 C ATOM 0 H PHE A 61 5.529 10.999 3.150 1.00 0.00 H new ATOM 0 HA PHE A 61 3.542 10.606 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.147 8.996 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.737 8.870 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.506 8.895 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.307 6.996 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.545 7.217 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.352 5.319 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.967 5.426 -0.672 1.00 0.00 H new ATOM 935 N SER A 62 1.383 11.309 2.171 1.00 0.00 N ATOM 936 CA SER A 62 0.076 11.688 2.695 1.00 0.00 C ATOM 937 C SER A 62 -0.781 10.455 2.962 1.00 0.00 C ATOM 938 O SER A 62 -1.075 10.130 4.112 1.00 0.00 O ATOM 939 CB SER A 62 -0.640 12.618 1.713 1.00 0.00 C ATOM 940 OG SER A 62 -1.968 12.880 2.134 1.00 0.00 O ATOM 0 H SER A 62 1.473 11.395 1.159 1.00 0.00 H new ATOM 0 HA SER A 62 0.228 12.214 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.090 13.555 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.652 12.165 0.722 1.00 0.00 H new ATOM 0 HG SER A 62 -2.403 13.478 1.491 1.00 0.00 H new ATOM 946 N ASP A 63 -1.178 9.774 1.892 1.00 0.00 N ATOM 947 CA ASP A 63 -2.001 8.575 2.013 1.00 0.00 C ATOM 948 C ASP A 63 -2.258 7.953 0.644 1.00 0.00 C ATOM 949 O ASP A 63 -1.804 8.466 -0.379 1.00 0.00 O ATOM 950 CB ASP A 63 -3.330 8.909 2.692 1.00 0.00 C ATOM 951 CG ASP A 63 -4.005 10.121 2.080 1.00 0.00 C ATOM 952 OD1 ASP A 63 -4.053 10.208 0.835 1.00 0.00 O ATOM 953 OD2 ASP A 63 -4.485 10.983 2.846 1.00 0.00 O ATOM 0 H ASP A 63 -0.944 10.031 0.933 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.460 7.853 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.997 8.050 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.157 9.090 3.753 1.00 0.00 H new ATOM 958 N CYS A 64 -2.988 6.842 0.633 1.00 0.00 N ATOM 959 CA CYS A 64 -3.307 6.150 -0.609 1.00 0.00 C ATOM 960 C CYS A 64 -4.784 6.305 -0.956 1.00 0.00 C ATOM 961 O CYS A 64 -5.610 6.582 -0.086 1.00 0.00 O ATOM 962 CB CYS A 64 -2.949 4.666 -0.497 1.00 0.00 C ATOM 963 SG CYS A 64 -2.093 4.003 -1.945 1.00 0.00 S ATOM 0 H CYS A 64 -3.369 6.402 1.471 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.717 6.600 -1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.321 4.520 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.862 4.094 -0.335 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.808 4.086 -1.765 1.00 0.00 H new ATOM 969 N GLN A 65 -5.109 6.125 -2.231 1.00 0.00 N ATOM 970 CA GLN A 65 -6.487 6.245 -2.694 1.00 0.00 C ATOM 971 C GLN A 65 -6.930 4.976 -3.413 1.00 0.00 C ATOM 972 O GLN A 65 -6.661 4.796 -4.600 1.00 0.00 O ATOM 973 CB GLN A 65 -6.632 7.451 -3.625 1.00 0.00 C ATOM 974 CG GLN A 65 -8.041 7.641 -4.162 1.00 0.00 C ATOM 975 CD GLN A 65 -9.009 8.126 -3.102 1.00 0.00 C ATOM 976 OE1 GLN A 65 -8.607 8.728 -2.106 1.00 0.00 O ATOM 977 NE2 GLN A 65 -10.294 7.864 -3.310 1.00 0.00 N ATOM 0 H GLN A 65 -4.437 5.895 -2.963 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.126 6.390 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.332 8.351 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.945 7.336 -4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.019 8.357 -4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.400 6.697 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.583 7.362 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.992 8.165 -2.630 1.00 0.00 H new ATOM 986 N VAL A 66 -7.612 4.096 -2.685 1.00 0.00 N ATOM 987 CA VAL A 66 -8.093 2.845 -3.254 1.00 0.00 C ATOM 988 C VAL A 66 -9.189 3.100 -4.285 1.00 0.00 C ATOM 989 O VAL A 66 -10.328 3.412 -3.935 1.00 0.00 O ATOM 990 CB VAL A 66 -8.630 1.901 -2.158 1.00 0.00 C ATOM 991 CG1 VAL A 66 -9.795 2.541 -1.419 1.00 0.00 C ATOM 992 CG2 VAL A 66 -9.035 0.559 -2.753 1.00 0.00 C ATOM 0 H VAL A 66 -7.843 4.228 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.245 2.367 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.830 1.724 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.158 1.858 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.464 3.469 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.599 2.755 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.411 -0.091 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.815 0.712 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.169 0.094 -3.224 1.00 0.00 H new ATOM 1002 N LEU A 67 -8.836 2.968 -5.559 1.00 0.00 N ATOM 1003 CA LEU A 67 -9.788 3.187 -6.643 1.00 0.00 C ATOM 1004 C LEU A 67 -10.797 2.046 -6.718 1.00 0.00 C ATOM 1005 O LEU A 67 -11.999 2.256 -6.556 1.00 0.00 O ATOM 1006 CB LEU A 67 -9.050 3.324 -7.976 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.786 4.185 -7.931 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.181 4.317 -9.320 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.096 5.556 -7.349 1.00 0.00 C ATOM 0 H LEU A 67 -7.898 2.711 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.329 4.111 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.781 2.328 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.734 3.748 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.057 3.695 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.283 4.933 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.922 3.329 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.904 4.785 -9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.186 6.155 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.842 6.054 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.483 5.442 -6.336 1.00 0.00 H new ATOM 1021 N ALA A 68 -10.301 0.838 -6.967 1.00 0.00 N ATOM 1022 CA ALA A 68 -11.162 -0.335 -7.064 1.00 0.00 C ATOM 1023 C ALA A 68 -10.337 -1.607 -7.235 1.00 0.00 C ATOM 1024 O ALA A 68 -9.115 -1.554 -7.369 1.00 0.00 O ATOM 1025 CB ALA A 68 -12.139 -0.178 -8.219 1.00 0.00 C ATOM 0 H ALA A 68 -9.309 0.646 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.726 -0.420 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.775 -1.061 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.757 0.705 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.585 -0.065 -9.151 1.00 0.00 H new ATOM 1031 N PHE A 69 -11.017 -2.751 -7.228 1.00 0.00 N ATOM 1032 CA PHE A 69 -10.347 -4.037 -7.381 1.00 0.00 C ATOM 1033 C PHE A 69 -10.500 -4.562 -8.805 1.00 0.00 C ATOM 1034 O PHE A 69 -11.578 -4.481 -9.394 1.00 0.00 O ATOM 1035 CB PHE A 69 -10.913 -5.052 -6.386 1.00 0.00 C ATOM 1036 CG PHE A 69 -10.832 -4.601 -4.956 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -9.609 -4.292 -4.382 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -11.978 -4.489 -4.185 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -9.532 -3.877 -3.066 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -11.906 -4.075 -2.869 1.00 0.00 C ATOM 1041 CZ PHE A 69 -10.681 -3.768 -2.309 1.00 0.00 C ATOM 0 H PHE A 69 -12.029 -2.812 -7.118 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.286 -3.894 -7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -11.955 -5.252 -6.637 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.373 -5.993 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.707 -4.376 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.938 -4.728 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.573 -3.638 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.806 -3.991 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.622 -3.443 -1.281 1.00 0.00 H new ATOM 1051 N ARG A 70 -9.416 -5.101 -9.351 1.00 0.00 N ATOM 1052 CA ARG A 70 -9.428 -5.640 -10.705 1.00 0.00 C ATOM 1053 C ARG A 70 -9.536 -7.161 -10.685 1.00 0.00 C ATOM 1054 O ARG A 70 -8.560 -7.859 -10.410 1.00 0.00 O ATOM 1055 CB ARG A 70 -8.164 -5.216 -11.456 1.00 0.00 C ATOM 1056 CG ARG A 70 -7.991 -3.709 -11.557 1.00 0.00 C ATOM 1057 CD ARG A 70 -8.655 -3.148 -12.805 1.00 0.00 C ATOM 1058 NE ARG A 70 -9.990 -3.707 -13.018 1.00 0.00 N ATOM 1059 CZ ARG A 70 -10.252 -4.735 -13.825 1.00 0.00 C ATOM 1060 NH1 ARG A 70 -9.274 -5.336 -14.494 1.00 0.00 N ATOM 1061 NH2 ARG A 70 -11.498 -5.167 -13.961 1.00 0.00 N ATOM 0 H ARG A 70 -8.517 -5.176 -8.876 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.301 -5.239 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.294 -5.640 -10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.190 -5.638 -12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.417 -3.234 -10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.929 -3.465 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.726 -2.064 -12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.031 -3.360 -13.673 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.771 -3.283 -12.517 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.312 -5.012 -14.392 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.485 -6.122 -15.109 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.254 -4.713 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.701 -5.954 -14.578 1.00 0.00 H new ATOM 1075 N SER A 71 -10.729 -7.669 -10.978 1.00 0.00 N ATOM 1076 CA SER A 71 -10.967 -9.106 -10.993 1.00 0.00 C ATOM 1077 C SER A 71 -10.046 -9.802 -11.991 1.00 0.00 C ATOM 1078 O SER A 71 -9.589 -9.193 -12.958 1.00 0.00 O ATOM 1079 CB SER A 71 -12.430 -9.393 -11.338 1.00 0.00 C ATOM 1080 OG SER A 71 -12.627 -9.440 -12.741 1.00 0.00 O ATOM 0 H SER A 71 -11.547 -7.105 -11.209 1.00 0.00 H new ATOM 0 HA SER A 71 -10.751 -9.498 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.732 -10.342 -10.894 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.067 -8.622 -10.905 1.00 0.00 H new ATOM 0 HG SER A 71 -13.570 -9.626 -12.933 1.00 0.00 H new ATOM 1154 N ASN A 77 -9.067 -16.715 -7.241 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.597 -16.605 -5.864 1.00 0.00 C ATOM 1156 C ASN A 77 -7.846 -15.294 -5.645 1.00 0.00 C ATOM 1157 O ASN A 77 -7.813 -14.764 -4.534 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.693 -17.788 -5.516 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.915 -18.291 -4.104 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -6.990 -18.328 -3.292 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.147 -18.683 -3.803 1.00 0.00 N ATOM 0 HA ASN A 77 -9.468 -16.616 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.875 -18.600 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.651 -17.492 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.357 -19.032 -2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.884 -18.635 -4.507 1.00 0.00 H new ATOM 1168 N HIS A 78 -7.244 -14.776 -6.712 1.00 0.00 N ATOM 1169 CA HIS A 78 -6.493 -13.528 -6.634 1.00 0.00 C ATOM 1170 C HIS A 78 -7.396 -12.330 -6.910 1.00 0.00 C ATOM 1171 O HIS A 78 -8.527 -12.484 -7.371 1.00 0.00 O ATOM 1172 CB HIS A 78 -5.332 -13.544 -7.629 1.00 0.00 C ATOM 1173 CG HIS A 78 -4.329 -14.622 -7.358 1.00 0.00 C ATOM 1174 ND1 HIS A 78 -4.280 -15.565 -6.387 1.00 0.00 N flip ATOM 1175 CD2 HIS A 78 -3.208 -14.821 -8.136 1.00 0.00 C flip ATOM 1176 CE1 HIS A 78 -3.144 -16.307 -6.595 1.00 0.00 C flip ATOM 1177 NE2 HIS A 78 -2.515 -15.838 -7.657 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.262 -15.201 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 78 -6.096 -13.436 -5.623 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -5.729 -13.672 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -4.830 -12.577 -7.605 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -2.939 -14.236 -9.003 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.818 -17.139 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.642 -16.200 -8.042 1.00 0.00 H new ATOM 1186 N THR A 79 -6.888 -11.135 -6.624 1.00 0.00 N ATOM 1187 CA THR A 79 -7.646 -9.909 -6.841 1.00 0.00 C ATOM 1188 C THR A 79 -6.710 -8.718 -7.029 1.00 0.00 C ATOM 1189 O THR A 79 -5.888 -8.420 -6.163 1.00 0.00 O ATOM 1190 CB THR A 79 -8.589 -9.652 -5.664 1.00 0.00 C ATOM 1191 OG1 THR A 79 -9.481 -10.740 -5.491 1.00 0.00 O ATOM 1192 CG2 THR A 79 -9.422 -8.398 -5.825 1.00 0.00 C ATOM 0 H THR A 79 -5.954 -10.990 -6.241 1.00 0.00 H new ATOM 0 HA THR A 79 -8.236 -10.031 -7.749 1.00 0.00 H new ATOM 0 HB THR A 79 -7.941 -9.528 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.483 -11.015 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.068 -8.276 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.764 -7.533 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.034 -8.481 -6.723 1.00 0.00 H new ATOM 1200 N GLY A 80 -6.840 -8.044 -8.167 1.00 0.00 N ATOM 1201 CA GLY A 80 -5.999 -6.896 -8.450 1.00 0.00 C ATOM 1202 C GLY A 80 -6.386 -5.676 -7.638 1.00 0.00 C ATOM 1203 O GLY A 80 -7.567 -5.347 -7.524 1.00 0.00 O ATOM 0 H GLY A 80 -7.513 -8.273 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.960 -7.151 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.062 -6.657 -9.511 1.00 0.00 H new ATOM 1207 N VAL A 81 -5.389 -5.002 -7.074 1.00 0.00 N ATOM 1208 CA VAL A 81 -5.631 -3.810 -6.269 1.00 0.00 C ATOM 1209 C VAL A 81 -5.292 -2.544 -7.051 1.00 0.00 C ATOM 1210 O VAL A 81 -4.180 -2.394 -7.556 1.00 0.00 O ATOM 1211 CB VAL A 81 -4.808 -3.836 -4.967 1.00 0.00 C ATOM 1212 CG1 VAL A 81 -5.113 -2.615 -4.110 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -5.077 -5.118 -4.194 1.00 0.00 C ATOM 0 H VAL A 81 -4.406 -5.261 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.691 -3.805 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.750 -3.808 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.521 -2.655 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.864 -1.710 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.173 -2.605 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.488 -5.120 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.136 -5.177 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.800 -5.977 -4.806 1.00 0.00 H new ATOM 1223 N ASP A 82 -6.257 -1.636 -7.144 1.00 0.00 N ATOM 1224 CA ASP A 82 -6.060 -0.381 -7.860 1.00 0.00 C ATOM 1225 C ASP A 82 -6.021 0.794 -6.888 1.00 0.00 C ATOM 1226 O ASP A 82 -7.034 1.452 -6.651 1.00 0.00 O ATOM 1227 CB ASP A 82 -7.175 -0.175 -8.888 1.00 0.00 C ATOM 1228 CG ASP A 82 -6.650 0.328 -10.218 1.00 0.00 C ATOM 1229 OD1 ASP A 82 -6.214 1.497 -10.280 1.00 0.00 O ATOM 1230 OD2 ASP A 82 -6.671 -0.448 -11.197 1.00 0.00 O ATOM 0 H ASP A 82 -7.184 -1.746 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.104 -0.431 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.702 -1.117 -9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.901 0.537 -8.495 1.00 0.00 H new ATOM 1235 N SER A 83 -4.846 1.049 -6.322 1.00 0.00 N ATOM 1236 CA SER A 83 -4.675 2.141 -5.372 1.00 0.00 C ATOM 1237 C SER A 83 -3.839 3.266 -5.975 1.00 0.00 C ATOM 1238 O SER A 83 -3.296 3.128 -7.072 1.00 0.00 O ATOM 1239 CB SER A 83 -4.014 1.627 -4.093 1.00 0.00 C ATOM 1240 OG SER A 83 -3.085 0.597 -4.376 1.00 0.00 O ATOM 0 H SER A 83 -3.998 0.513 -6.505 1.00 0.00 H new ATOM 0 HA SER A 83 -5.661 2.539 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.507 2.449 -3.587 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.778 1.254 -3.410 1.00 0.00 H new ATOM 0 HG SER A 83 -3.258 -0.169 -3.790 1.00 0.00 H new ATOM 1246 N LEU A 84 -3.742 4.378 -5.253 1.00 0.00 N ATOM 1247 CA LEU A 84 -2.972 5.527 -5.718 1.00 0.00 C ATOM 1248 C LEU A 84 -2.092 6.085 -4.604 1.00 0.00 C ATOM 1249 O LEU A 84 -2.591 6.646 -3.629 1.00 0.00 O ATOM 1250 CB LEU A 84 -3.910 6.623 -6.236 1.00 0.00 C ATOM 1251 CG LEU A 84 -3.319 7.545 -7.310 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -1.881 7.917 -6.980 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -3.401 6.889 -8.679 1.00 0.00 C ATOM 0 H LEU A 84 -4.187 4.508 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.328 5.191 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.805 6.150 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.227 7.235 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.908 8.462 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.487 8.571 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.850 8.434 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.275 7.013 -6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.977 7.557 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.841 5.954 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.444 6.685 -8.923 1.00 0.00 H new ATOM 1265 N CYS A 85 -0.780 5.937 -4.759 1.00 0.00 N ATOM 1266 CA CYS A 85 0.166 6.435 -3.766 1.00 0.00 C ATOM 1267 C CYS A 85 0.214 7.960 -3.792 1.00 0.00 C ATOM 1268 O CYS A 85 1.159 8.553 -4.313 1.00 0.00 O ATOM 1269 CB CYS A 85 1.562 5.862 -4.021 1.00 0.00 C ATOM 1270 SG CYS A 85 1.810 4.199 -3.357 1.00 0.00 S ATOM 0 H CYS A 85 -0.348 5.477 -5.561 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.171 6.112 -2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.745 5.844 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.303 6.531 -3.583 1.00 0.00 H new ATOM 0 HG CYS A 85 1.242 4.108 -2.191 1.00 0.00 H new ATOM 1276 N ASN A 86 -0.815 8.590 -3.233 1.00 0.00 N ATOM 1277 CA ASN A 86 -0.895 10.046 -3.199 1.00 0.00 C ATOM 1278 C ASN A 86 0.127 10.629 -2.229 1.00 0.00 C ATOM 1279 O ASN A 86 0.556 9.962 -1.287 1.00 0.00 O ATOM 1280 CB ASN A 86 -2.303 10.492 -2.800 1.00 0.00 C ATOM 1281 CG ASN A 86 -3.258 10.510 -3.978 1.00 0.00 C ATOM 1282 OD1 ASN A 86 -3.505 11.557 -4.576 1.00 0.00 O ATOM 1283 ND2 ASN A 86 -3.801 9.346 -4.317 1.00 0.00 N ATOM 0 H ASN A 86 -1.605 8.114 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.671 10.417 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.690 9.822 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.255 11.488 -2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.451 9.296 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.568 8.503 -3.793 1.00 0.00 H new ATOM 1290 N PHE A 87 0.512 11.878 -2.467 1.00 0.00 N ATOM 1291 CA PHE A 87 1.483 12.555 -1.614 1.00 0.00 C ATOM 1292 C PHE A 87 1.111 14.023 -1.425 1.00 0.00 C ATOM 1293 O PHE A 87 0.413 14.607 -2.253 1.00 0.00 O ATOM 1294 CB PHE A 87 2.885 12.445 -2.216 1.00 0.00 C ATOM 1295 CG PHE A 87 3.605 11.186 -1.831 1.00 0.00 C ATOM 1296 CD1 PHE A 87 3.224 9.964 -2.363 1.00 0.00 C ATOM 1297 CD2 PHE A 87 4.662 11.222 -0.935 1.00 0.00 C ATOM 1298 CE1 PHE A 87 3.883 8.803 -2.009 1.00 0.00 C ATOM 1299 CE2 PHE A 87 5.325 10.064 -0.577 1.00 0.00 C ATOM 1300 CZ PHE A 87 4.935 8.853 -1.115 1.00 0.00 C ATOM 0 H PHE A 87 0.167 12.442 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 87 1.475 12.069 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.810 12.493 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.476 13.304 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.402 9.919 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.971 12.166 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.576 7.857 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.147 10.106 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.452 7.946 -0.837 1.00 0.00 H new ATOM 1310 N SER A 88 1.584 14.611 -0.331 1.00 0.00 N ATOM 1311 CA SER A 88 1.301 16.010 -0.035 1.00 0.00 C ATOM 1312 C SER A 88 1.885 16.922 -1.111 1.00 0.00 C ATOM 1313 O SER A 88 2.703 16.491 -1.923 1.00 0.00 O ATOM 1314 CB SER A 88 1.869 16.387 1.335 1.00 0.00 C ATOM 1315 OG SER A 88 0.861 16.360 2.331 1.00 0.00 O ATOM 0 H SER A 88 2.164 14.141 0.364 1.00 0.00 H new ATOM 0 HA SER A 88 0.219 16.142 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.668 15.696 1.603 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.311 17.382 1.287 1.00 0.00 H new ATOM 0 HG SER A 88 1.250 16.603 3.197 1.00 0.00 H new ATOM 1321 N PRO A 89 1.471 18.201 -1.131 1.00 0.00 N ATOM 1322 CA PRO A 89 1.959 19.173 -2.115 1.00 0.00 C ATOM 1323 C PRO A 89 3.430 19.517 -1.905 1.00 0.00 C ATOM 1324 O PRO A 89 4.192 19.644 -2.862 1.00 0.00 O ATOM 1325 CB PRO A 89 1.080 20.402 -1.871 1.00 0.00 C ATOM 1326 CG PRO A 89 0.629 20.273 -0.458 1.00 0.00 C ATOM 1327 CD PRO A 89 0.498 18.798 -0.198 1.00 0.00 C ATOM 0 HA PRO A 89 1.899 18.788 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.639 21.325 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.233 20.425 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.348 20.727 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.322 20.782 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.730 18.550 0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.514 18.444 -0.392 1.00 0.00 H new ATOM 1335 N LEU A 90 3.822 19.666 -0.643 1.00 0.00 N ATOM 1336 CA LEU A 90 5.203 19.996 -0.307 1.00 0.00 C ATOM 1337 C LEU A 90 6.162 18.931 -0.832 1.00 0.00 C ATOM 1338 O LEU A 90 7.319 19.220 -1.135 1.00 0.00 O ATOM 1339 CB LEU A 90 5.360 20.135 1.210 1.00 0.00 C ATOM 1340 CG LEU A 90 4.970 21.502 1.777 1.00 0.00 C ATOM 1341 CD1 LEU A 90 3.461 21.604 1.930 1.00 0.00 C ATOM 1342 CD2 LEU A 90 5.659 21.739 3.112 1.00 0.00 C ATOM 0 H LEU A 90 3.204 19.564 0.162 1.00 0.00 H new ATOM 0 HA LEU A 90 5.449 20.946 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.753 19.371 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.398 19.932 1.473 1.00 0.00 H new ATOM 0 HG LEU A 90 5.297 22.272 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.202 22.582 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.987 21.476 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.111 20.826 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.371 22.715 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.361 20.964 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.740 21.708 2.974 1.00 0.00 H new ATOM 1354 N ALA A 91 5.672 17.699 -0.937 1.00 0.00 N ATOM 1355 CA ALA A 91 6.486 16.592 -1.425 1.00 0.00 C ATOM 1356 C ALA A 91 7.033 16.883 -2.819 1.00 0.00 C ATOM 1357 O ALA A 91 6.325 16.736 -3.817 1.00 0.00 O ATOM 1358 CB ALA A 91 5.675 15.305 -1.434 1.00 0.00 C ATOM 0 H ALA A 91 4.716 17.443 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 91 7.333 16.472 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.295 14.487 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.338 15.080 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.810 15.425 -2.086 1.00 0.00 H new ATOM 1364 N ARG A 92 8.294 17.295 -2.880 1.00 0.00 N ATOM 1365 CA ARG A 92 8.937 17.606 -4.152 1.00 0.00 C ATOM 1366 C ARG A 92 10.150 16.709 -4.382 1.00 0.00 C ATOM 1367 O ARG A 92 11.117 17.110 -5.029 1.00 0.00 O ATOM 1368 CB ARG A 92 9.357 19.078 -4.188 1.00 0.00 C ATOM 1369 CG ARG A 92 8.639 19.889 -5.257 1.00 0.00 C ATOM 1370 CD ARG A 92 9.621 20.612 -6.166 1.00 0.00 C ATOM 1371 NE ARG A 92 9.877 19.869 -7.396 1.00 0.00 N ATOM 1372 CZ ARG A 92 10.927 20.084 -8.187 1.00 0.00 C ATOM 1373 NH1 ARG A 92 11.818 21.017 -7.879 1.00 0.00 N ATOM 1374 NH2 ARG A 92 11.084 19.362 -9.289 1.00 0.00 N ATOM 0 H ARG A 92 8.892 17.422 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 92 8.218 17.422 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.165 19.526 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.432 19.137 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.009 19.229 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.980 20.615 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.227 21.598 -6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.560 20.768 -5.634 1.00 0.00 H new ATOM 0 HE ARG A 92 9.213 19.143 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.701 21.574 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.620 21.177 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.401 18.643 -9.530 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.888 19.526 -9.896 1.00 0.00 H new ATOM 1388 N ARG A 93 10.090 15.493 -3.848 1.00 0.00 N ATOM 1389 CA ARG A 93 11.183 14.540 -3.995 1.00 0.00 C ATOM 1390 C ARG A 93 10.720 13.126 -3.654 1.00 0.00 C ATOM 1391 O ARG A 93 11.117 12.559 -2.636 1.00 0.00 O ATOM 1392 CB ARG A 93 12.358 14.937 -3.097 1.00 0.00 C ATOM 1393 CG ARG A 93 13.694 14.384 -3.565 1.00 0.00 C ATOM 1394 CD ARG A 93 14.187 13.270 -2.655 1.00 0.00 C ATOM 1395 NE ARG A 93 15.121 12.378 -3.338 1.00 0.00 N ATOM 1396 CZ ARG A 93 15.451 11.166 -2.893 1.00 0.00 C ATOM 1397 NH1 ARG A 93 14.924 10.700 -1.768 1.00 0.00 N ATOM 1398 NH2 ARG A 93 16.307 10.420 -3.574 1.00 0.00 N ATOM 0 H ARG A 93 9.296 15.145 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 93 11.509 14.555 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.420 16.024 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.164 14.587 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.596 14.007 -4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.431 15.186 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.673 13.704 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.335 12.694 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 93 15.546 12.702 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.263 11.270 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.180 9.772 -1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.714 10.773 -4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.559 9.492 -3.233 1.00 0.00 H new ATOM 1412 N VAL A 94 9.877 12.563 -4.513 1.00 0.00 N ATOM 1413 CA VAL A 94 9.360 11.215 -4.303 1.00 0.00 C ATOM 1414 C VAL A 94 9.371 10.414 -5.600 1.00 0.00 C ATOM 1415 O VAL A 94 8.492 10.573 -6.448 1.00 0.00 O ATOM 1416 CB VAL A 94 7.924 11.244 -3.745 1.00 0.00 C ATOM 1417 CG1 VAL A 94 7.478 9.847 -3.345 1.00 0.00 C ATOM 1418 CG2 VAL A 94 7.831 12.200 -2.565 1.00 0.00 C ATOM 0 H VAL A 94 9.537 13.018 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 94 10.015 10.735 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 94 7.256 11.602 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.462 9.888 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.505 9.193 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.147 9.457 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.810 12.208 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.510 11.873 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.106 13.204 -2.888 1.00 0.00 H new ATOM 1428 N ASP A 95 10.373 9.553 -5.749 1.00 0.00 N ATOM 1429 CA ASP A 95 10.500 8.726 -6.944 1.00 0.00 C ATOM 1430 C ASP A 95 9.551 7.534 -6.883 1.00 0.00 C ATOM 1431 O ASP A 95 9.096 7.144 -5.808 1.00 0.00 O ATOM 1432 CB ASP A 95 11.941 8.240 -7.102 1.00 0.00 C ATOM 1433 CG ASP A 95 12.831 9.270 -7.768 1.00 0.00 C ATOM 1434 OD1 ASP A 95 13.103 10.314 -7.139 1.00 0.00 O ATOM 1435 OD2 ASP A 95 13.255 9.034 -8.919 1.00 0.00 O ATOM 0 H ASP A 95 11.109 9.410 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 95 10.234 9.335 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.347 7.993 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.949 7.323 -7.690 1.00 0.00 H new ATOM 1440 N ARG A 96 9.258 6.957 -8.044 1.00 0.00 N ATOM 1441 CA ARG A 96 8.364 5.809 -8.123 1.00 0.00 C ATOM 1442 C ARG A 96 8.984 4.589 -7.448 1.00 0.00 C ATOM 1443 O ARG A 96 8.277 3.743 -6.901 1.00 0.00 O ATOM 1444 CB ARG A 96 8.039 5.487 -9.583 1.00 0.00 C ATOM 1445 CG ARG A 96 9.265 5.166 -10.423 1.00 0.00 C ATOM 1446 CD ARG A 96 8.891 4.895 -11.871 1.00 0.00 C ATOM 1447 NE ARG A 96 10.068 4.702 -12.713 1.00 0.00 N ATOM 1448 CZ ARG A 96 10.817 5.698 -13.181 1.00 0.00 C ATOM 1449 NH1 ARG A 96 10.514 6.957 -12.891 1.00 0.00 N ATOM 1450 NH2 ARG A 96 11.871 5.434 -13.940 1.00 0.00 N ATOM 0 H ARG A 96 9.627 7.266 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 96 7.442 6.063 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.354 4.639 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.517 6.335 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.967 5.998 -10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.774 4.296 -10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.259 4.008 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.303 5.728 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 96 10.332 3.747 -12.957 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.704 7.165 -12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.091 7.717 -13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.108 4.468 -14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.445 6.197 -14.299 1.00 0.00 H new ATOM 1464 N VAL A 97 10.310 4.505 -7.492 1.00 0.00 N ATOM 1465 CA VAL A 97 11.026 3.389 -6.886 1.00 0.00 C ATOM 1466 C VAL A 97 11.031 3.500 -5.364 1.00 0.00 C ATOM 1467 O VAL A 97 11.106 2.493 -4.660 1.00 0.00 O ATOM 1468 CB VAL A 97 12.480 3.314 -7.388 1.00 0.00 C ATOM 1469 CG1 VAL A 97 13.149 2.040 -6.898 1.00 0.00 C ATOM 1470 CG2 VAL A 97 12.524 3.399 -8.906 1.00 0.00 C ATOM 0 H VAL A 97 10.910 5.197 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 97 10.501 2.480 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 97 13.030 4.163 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.176 2.005 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.150 2.026 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.601 1.175 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.559 3.344 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.959 2.571 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 97 12.086 4.343 -9.230 1.00 0.00 H new ATOM 1480 N ALA A 98 10.953 4.729 -4.862 1.00 0.00 N ATOM 1481 CA ALA A 98 10.950 4.968 -3.424 1.00 0.00 C ATOM 1482 C ALA A 98 9.805 4.226 -2.744 1.00 0.00 C ATOM 1483 O ALA A 98 10.027 3.388 -1.871 1.00 0.00 O ATOM 1484 CB ALA A 98 10.858 6.460 -3.139 1.00 0.00 C ATOM 0 H ALA A 98 10.891 5.574 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 98 11.886 4.587 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.857 6.625 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.714 6.969 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.938 6.856 -3.568 1.00 0.00 H new ATOM 1490 N ILE A 99 8.578 4.540 -3.150 1.00 0.00 N ATOM 1491 CA ILE A 99 7.398 3.901 -2.580 1.00 0.00 C ATOM 1492 C ILE A 99 7.360 2.414 -2.919 1.00 0.00 C ATOM 1493 O ILE A 99 6.734 1.623 -2.212 1.00 0.00 O ATOM 1494 CB ILE A 99 6.099 4.567 -3.078 1.00 0.00 C ATOM 1495 CG1 ILE A 99 6.160 6.080 -2.864 1.00 0.00 C ATOM 1496 CG2 ILE A 99 4.893 3.977 -2.362 1.00 0.00 C ATOM 1497 CD1 ILE A 99 5.368 6.868 -3.886 1.00 0.00 C ATOM 0 H ILE A 99 8.376 5.233 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 99 7.465 4.022 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 99 5.997 4.373 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.785 6.313 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.201 6.402 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.984 4.457 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.841 2.906 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.989 4.144 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.457 7.933 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.757 6.664 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.319 6.575 -3.839 1.00 0.00 H new ATOM 1509 N TYR A 100 8.032 2.038 -4.002 1.00 0.00 N ATOM 1510 CA TYR A 100 8.072 0.645 -4.432 1.00 0.00 C ATOM 1511 C TYR A 100 9.009 -0.172 -3.548 1.00 0.00 C ATOM 1512 O TYR A 100 8.686 -1.293 -3.153 1.00 0.00 O ATOM 1513 CB TYR A 100 8.523 0.552 -5.891 1.00 0.00 C ATOM 1514 CG TYR A 100 8.406 -0.839 -6.473 1.00 0.00 C ATOM 1515 CD1 TYR A 100 7.162 -1.412 -6.707 1.00 0.00 C ATOM 1516 CD2 TYR A 100 9.539 -1.578 -6.788 1.00 0.00 C ATOM 1517 CE1 TYR A 100 7.051 -2.682 -7.239 1.00 0.00 C ATOM 1518 CE2 TYR A 100 9.437 -2.849 -7.321 1.00 0.00 C ATOM 1519 CZ TYR A 100 8.191 -3.397 -7.544 1.00 0.00 C ATOM 1520 OH TYR A 100 8.085 -4.661 -8.074 1.00 0.00 O ATOM 0 H TYR A 100 8.556 2.678 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 100 7.066 0.236 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.927 1.239 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.559 0.881 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.267 -0.856 -6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.516 -1.152 -6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.077 -3.113 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.328 -3.410 -7.562 1.00 0.00 H new ATOM 0 HH TYR A 100 8.981 -5.026 -8.232 1.00 0.00 H new ATOM 1530 N GLU A 101 10.173 0.393 -3.245 1.00 0.00 N ATOM 1531 CA GLU A 101 11.158 -0.285 -2.411 1.00 0.00 C ATOM 1532 C GLU A 101 10.733 -0.284 -0.947 1.00 0.00 C ATOM 1533 O GLU A 101 10.820 -1.305 -0.264 1.00 0.00 O ATOM 1534 CB GLU A 101 12.525 0.385 -2.558 1.00 0.00 C ATOM 1535 CG GLU A 101 13.334 -0.133 -3.735 1.00 0.00 C ATOM 1536 CD GLU A 101 14.820 -0.198 -3.440 1.00 0.00 C ATOM 1537 OE1 GLU A 101 15.400 0.850 -3.085 1.00 0.00 O ATOM 1538 OE2 GLU A 101 15.402 -1.296 -3.562 1.00 0.00 O ATOM 0 H GLU A 101 10.457 1.319 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 101 11.227 -1.320 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.383 1.460 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.095 0.233 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.978 -1.127 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.167 0.512 -4.598 1.00 0.00 H new ATOM 1545 N GLU A 102 10.275 0.868 -0.469 1.00 0.00 N ATOM 1546 CA GLU A 102 9.838 1.001 0.917 1.00 0.00 C ATOM 1547 C GLU A 102 8.632 0.110 1.198 1.00 0.00 C ATOM 1548 O GLU A 102 8.444 -0.363 2.318 1.00 0.00 O ATOM 1549 CB GLU A 102 9.495 2.459 1.227 1.00 0.00 C ATOM 1550 CG GLU A 102 10.701 3.382 1.216 1.00 0.00 C ATOM 1551 CD GLU A 102 10.330 4.823 0.926 1.00 0.00 C ATOM 1552 OE1 GLU A 102 9.415 5.046 0.105 1.00 0.00 O ATOM 1553 OE2 GLU A 102 10.955 5.728 1.517 1.00 0.00 O ATOM 0 H GLU A 102 10.197 1.723 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 102 10.657 0.683 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.768 2.816 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.017 2.511 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.204 3.328 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.412 3.036 0.466 1.00 0.00 H new ATOM 1560 N PHE A 103 7.813 -0.111 0.174 1.00 0.00 N ATOM 1561 CA PHE A 103 6.623 -0.944 0.314 1.00 0.00 C ATOM 1562 C PHE A 103 6.995 -2.422 0.371 1.00 0.00 C ATOM 1563 O PHE A 103 6.418 -3.188 1.142 1.00 0.00 O ATOM 1564 CB PHE A 103 5.662 -0.693 -0.848 1.00 0.00 C ATOM 1565 CG PHE A 103 4.365 -1.442 -0.728 1.00 0.00 C ATOM 1566 CD1 PHE A 103 3.578 -1.314 0.405 1.00 0.00 C ATOM 1567 CD2 PHE A 103 3.933 -2.275 -1.748 1.00 0.00 C ATOM 1568 CE1 PHE A 103 2.386 -2.001 0.519 1.00 0.00 C ATOM 1569 CE2 PHE A 103 2.741 -2.965 -1.641 1.00 0.00 C ATOM 1570 CZ PHE A 103 1.966 -2.828 -0.505 1.00 0.00 C ATOM 0 H PHE A 103 7.951 0.274 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 103 6.131 -0.677 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.451 0.375 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.151 -0.976 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.901 -0.669 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.536 -2.386 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.782 -1.892 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.415 -3.610 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.034 -3.366 -0.418 1.00 0.00 H new ATOM 1580 N LEU A 104 7.962 -2.817 -0.450 1.00 0.00 N ATOM 1581 CA LEU A 104 8.410 -4.204 -0.494 1.00 0.00 C ATOM 1582 C LEU A 104 9.201 -4.565 0.759 1.00 0.00 C ATOM 1583 O LEU A 104 9.158 -5.703 1.227 1.00 0.00 O ATOM 1584 CB LEU A 104 9.266 -4.447 -1.738 1.00 0.00 C ATOM 1585 CG LEU A 104 8.567 -4.169 -3.070 1.00 0.00 C ATOM 1586 CD1 LEU A 104 9.577 -3.743 -4.124 1.00 0.00 C ATOM 1587 CD2 LEU A 104 7.797 -5.397 -3.533 1.00 0.00 C ATOM 0 H LEU A 104 8.451 -2.196 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 104 7.526 -4.841 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.157 -3.822 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.603 -5.484 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 104 7.859 -3.353 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.062 -3.550 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.085 -2.836 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.309 -4.537 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.306 -5.182 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.486 -6.231 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.047 -5.659 -2.787 1.00 0.00 H new ATOM 1599 N ARG A 105 9.923 -3.588 1.300 1.00 0.00 N ATOM 1600 CA ARG A 105 10.726 -3.806 2.499 1.00 0.00 C ATOM 1601 C ARG A 105 9.838 -4.088 3.707 1.00 0.00 C ATOM 1602 O ARG A 105 10.206 -4.859 4.593 1.00 0.00 O ATOM 1603 CB ARG A 105 11.608 -2.587 2.775 1.00 0.00 C ATOM 1604 CG ARG A 105 12.781 -2.882 3.696 1.00 0.00 C ATOM 1605 CD ARG A 105 13.526 -1.612 4.074 1.00 0.00 C ATOM 1606 NE ARG A 105 14.974 -1.807 4.073 1.00 0.00 N ATOM 1607 CZ ARG A 105 15.832 -0.996 4.687 1.00 0.00 C ATOM 1608 NH1 ARG A 105 15.392 0.064 5.354 1.00 0.00 N ATOM 1609 NH2 ARG A 105 17.133 -1.245 4.637 1.00 0.00 N ATOM 0 H ARG A 105 9.969 -2.639 0.928 1.00 0.00 H new ATOM 0 HA ARG A 105 11.361 -4.675 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.988 -2.202 1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.998 -1.800 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 105 12.421 -3.376 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.465 -3.574 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.267 -0.817 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.205 -1.284 5.063 1.00 0.00 H new ATOM 0 HE ARG A 105 15.349 -2.612 3.572 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.392 0.260 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.054 0.682 5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.477 -2.059 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.790 -0.623 5.108 1.00 0.00 H new ATOM 1623 N MET A 106 8.669 -3.456 3.738 1.00 0.00 N ATOM 1624 CA MET A 106 7.730 -3.639 4.840 1.00 0.00 C ATOM 1625 C MET A 106 6.846 -4.863 4.615 1.00 0.00 C ATOM 1626 O MET A 106 6.294 -5.420 5.563 1.00 0.00 O ATOM 1627 CB MET A 106 6.860 -2.393 5.007 1.00 0.00 C ATOM 1628 CG MET A 106 6.329 -2.210 6.420 1.00 0.00 C ATOM 1629 SD MET A 106 7.265 -0.991 7.363 1.00 0.00 S ATOM 1630 CE MET A 106 6.940 0.493 6.414 1.00 0.00 C ATOM 0 H MET A 106 8.349 -2.813 3.014 1.00 0.00 H new ATOM 0 HA MET A 106 8.309 -3.798 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 106 7.441 -1.514 4.729 1.00 0.00 H new ATOM 0 HB3 MET A 106 6.019 -2.451 4.316 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.284 -1.903 6.374 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.358 -3.167 6.941 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.877 0.883 6.017 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.266 0.258 5.590 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.479 1.242 7.057 1.00 0.00 H new ATOM 1640 N THR A 107 6.714 -5.276 3.358 1.00 0.00 N ATOM 1641 CA THR A 107 5.893 -6.434 3.018 1.00 0.00 C ATOM 1642 C THR A 107 6.745 -7.693 2.891 1.00 0.00 C ATOM 1643 O THR A 107 6.446 -8.576 2.089 1.00 0.00 O ATOM 1644 CB THR A 107 5.136 -6.182 1.714 1.00 0.00 C ATOM 1645 OG1 THR A 107 6.039 -6.002 0.637 1.00 0.00 O ATOM 1646 CG2 THR A 107 4.238 -4.965 1.769 1.00 0.00 C ATOM 0 H THR A 107 7.164 -4.828 2.560 1.00 0.00 H new ATOM 0 HA THR A 107 5.176 -6.586 3.824 1.00 0.00 H new ATOM 0 HB THR A 107 4.515 -7.065 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.598 -5.498 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.731 -4.844 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.498 -5.095 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.838 -4.079 1.976 1.00 0.00 H new ATOM 1654 N HIS A 108 7.806 -7.769 3.690 1.00 0.00 N ATOM 1655 CA HIS A 108 8.698 -8.922 3.669 1.00 0.00 C ATOM 1656 C HIS A 108 9.280 -9.137 2.273 1.00 0.00 C ATOM 1657 O HIS A 108 9.125 -10.205 1.679 1.00 0.00 O ATOM 1658 CB HIS A 108 7.950 -10.176 4.133 1.00 0.00 C ATOM 1659 CG HIS A 108 8.688 -10.960 5.172 1.00 0.00 C ATOM 1660 ND1 HIS A 108 10.058 -10.905 5.328 1.00 0.00 N ATOM 1661 CD2 HIS A 108 8.239 -11.823 6.116 1.00 0.00 C ATOM 1662 CE1 HIS A 108 10.419 -11.700 6.319 1.00 0.00 C ATOM 1663 NE2 HIS A 108 9.335 -12.268 6.814 1.00 0.00 N ATOM 0 H HIS A 108 8.068 -7.045 4.359 1.00 0.00 H new ATOM 0 HA HIS A 108 9.524 -8.729 4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 108 6.979 -9.883 4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 108 7.761 -10.817 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 108 7.211 -12.108 6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.430 -11.858 6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.315 -12.930 7.589 1.00 0.00 H new ATOM 1672 N ASN A 109 9.950 -8.113 1.755 1.00 0.00 N ATOM 1673 CA ASN A 109 10.557 -8.188 0.430 1.00 0.00 C ATOM 1674 C ASN A 109 9.497 -8.415 -0.643 1.00 0.00 C ATOM 1675 O ASN A 109 9.705 -9.184 -1.582 1.00 0.00 O ATOM 1676 CB ASN A 109 11.598 -9.310 0.385 1.00 0.00 C ATOM 1677 CG ASN A 109 12.823 -8.930 -0.423 1.00 0.00 C ATOM 1678 OD1 ASN A 109 13.953 -9.214 -0.027 1.00 0.00 O ATOM 1679 ND2 ASN A 109 12.605 -8.282 -1.562 1.00 0.00 N ATOM 0 H ASN A 109 10.087 -7.222 2.232 1.00 0.00 H new ATOM 0 HA ASN A 109 11.051 -7.237 0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.900 -9.562 1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.146 -10.204 -0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 109 13.392 -7.999 -2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 109 11.651 -8.067 -1.852 1.00 0.00 H new ATOM 1686 N GLY A 110 8.361 -7.742 -0.498 1.00 0.00 N ATOM 1687 CA GLY A 110 7.287 -7.884 -1.463 1.00 0.00 C ATOM 1688 C GLY A 110 6.720 -9.290 -1.495 1.00 0.00 C ATOM 1689 O GLY A 110 7.010 -10.063 -2.408 1.00 0.00 O ATOM 0 H GLY A 110 8.165 -7.101 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.491 -7.180 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.656 -7.621 -2.454 1.00 0.00 H new ATOM 1693 N THR A 111 5.910 -9.622 -0.496 1.00 0.00 N ATOM 1694 CA THR A 111 5.301 -10.945 -0.414 1.00 0.00 C ATOM 1695 C THR A 111 4.038 -10.914 0.440 1.00 0.00 C ATOM 1696 O THR A 111 3.010 -11.477 0.063 1.00 0.00 O ATOM 1697 CB THR A 111 6.296 -11.952 0.165 1.00 0.00 C ATOM 1698 OG1 THR A 111 6.733 -11.543 1.449 1.00 0.00 O ATOM 1699 CG2 THR A 111 7.525 -12.145 -0.697 1.00 0.00 C ATOM 0 H THR A 111 5.660 -8.994 0.268 1.00 0.00 H new ATOM 0 HA THR A 111 5.027 -11.253 -1.423 1.00 0.00 H new ATOM 0 HB THR A 111 5.754 -12.897 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.587 -11.070 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.188 -12.872 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.226 -12.508 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.047 -11.194 -0.805 1.00 0.00 H new ATOM 1707 N GLN A 112 4.122 -10.256 1.591 1.00 0.00 N ATOM 1708 CA GLN A 112 2.983 -10.156 2.496 1.00 0.00 C ATOM 1709 C GLN A 112 2.844 -8.745 3.055 1.00 0.00 C ATOM 1710 O GLN A 112 3.711 -8.267 3.787 1.00 0.00 O ATOM 1711 CB GLN A 112 3.127 -11.159 3.642 1.00 0.00 C ATOM 1712 CG GLN A 112 1.921 -11.205 4.566 1.00 0.00 C ATOM 1713 CD GLN A 112 2.200 -11.961 5.851 1.00 0.00 C ATOM 1714 OE1 GLN A 112 1.658 -13.043 6.078 1.00 0.00 O ATOM 1715 NE2 GLN A 112 3.047 -11.392 6.700 1.00 0.00 N ATOM 0 H GLN A 112 4.965 -9.785 1.919 1.00 0.00 H new ATOM 0 HA GLN A 112 2.083 -10.388 1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.293 -12.152 3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.012 -10.906 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.613 -10.187 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.087 -11.676 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.473 -10.494 6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.272 -11.853 7.582 1.00 0.00 H new ATOM 1724 N LEU A 113 1.745 -8.083 2.708 1.00 0.00 N ATOM 1725 CA LEU A 113 1.486 -6.727 3.178 1.00 0.00 C ATOM 1726 C LEU A 113 0.806 -6.752 4.542 1.00 0.00 C ATOM 1727 O LEU A 113 -0.415 -6.875 4.637 1.00 0.00 O ATOM 1728 CB LEU A 113 0.615 -5.972 2.166 1.00 0.00 C ATOM 1729 CG LEU A 113 0.246 -4.533 2.549 1.00 0.00 C ATOM 1730 CD1 LEU A 113 -0.990 -4.514 3.436 1.00 0.00 C ATOM 1731 CD2 LEU A 113 1.410 -3.836 3.240 1.00 0.00 C ATOM 0 H LEU A 113 1.019 -8.464 2.102 1.00 0.00 H new ATOM 0 HA LEU A 113 2.440 -6.209 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.137 -5.951 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.306 -6.536 2.015 1.00 0.00 H new ATOM 0 HG LEU A 113 0.022 -3.988 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.235 -3.484 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.828 -4.963 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.794 -5.082 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.121 -2.818 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.675 -4.381 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.268 -3.809 2.569 1.00 0.00 H new ATOM 1743 N LEU A 114 1.608 -6.641 5.598 1.00 0.00 N ATOM 1744 CA LEU A 114 1.091 -6.655 6.963 1.00 0.00 C ATOM 1745 C LEU A 114 0.410 -7.985 7.276 1.00 0.00 C ATOM 1746 O LEU A 114 0.995 -8.854 7.922 1.00 0.00 O ATOM 1747 CB LEU A 114 0.111 -5.498 7.175 1.00 0.00 C ATOM 1748 CG LEU A 114 0.748 -4.108 7.206 1.00 0.00 C ATOM 1749 CD1 LEU A 114 -0.323 -3.029 7.179 1.00 0.00 C ATOM 1750 CD2 LEU A 114 1.634 -3.955 8.435 1.00 0.00 C ATOM 0 H LEU A 114 2.621 -6.540 5.534 1.00 0.00 H new ATOM 0 HA LEU A 114 1.933 -6.533 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.634 -5.522 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.420 -5.659 8.113 1.00 0.00 H new ATOM 0 HG LEU A 114 1.370 -3.994 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.149 -2.047 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.915 -3.126 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.973 -3.139 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.079 -2.960 8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.034 -4.090 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.424 -4.706 8.410 1.00 0.00 H new ATOM 1762 N ASN A 115 -0.828 -8.138 6.815 1.00 0.00 N ATOM 1763 CA ASN A 115 -1.584 -9.363 7.048 1.00 0.00 C ATOM 1764 C ASN A 115 -2.260 -9.840 5.766 1.00 0.00 C ATOM 1765 O ASN A 115 -3.416 -10.262 5.781 1.00 0.00 O ATOM 1766 CB ASN A 115 -2.633 -9.139 8.139 1.00 0.00 C ATOM 1767 CG ASN A 115 -2.019 -9.058 9.523 1.00 0.00 C ATOM 1768 OD1 ASN A 115 -0.826 -9.304 9.701 1.00 0.00 O ATOM 1769 ND2 ASN A 115 -2.834 -8.712 10.512 1.00 0.00 N ATOM 0 H ASN A 115 -1.328 -7.429 6.278 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.886 -10.133 7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.178 -8.218 7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.359 -9.952 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.478 -8.641 11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.816 -8.517 10.319 1.00 0.00 H new ATOM 1776 N PHE A 116 -1.530 -9.773 4.657 1.00 0.00 N ATOM 1777 CA PHE A 116 -2.060 -10.200 3.367 1.00 0.00 C ATOM 1778 C PHE A 116 -0.934 -10.611 2.424 1.00 0.00 C ATOM 1779 O PHE A 116 -0.086 -9.796 2.061 1.00 0.00 O ATOM 1780 CB PHE A 116 -2.888 -9.079 2.736 1.00 0.00 C ATOM 1781 CG PHE A 116 -4.290 -8.999 3.269 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -5.314 -9.716 2.670 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -4.584 -8.208 4.368 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -6.605 -9.645 3.160 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -5.873 -8.134 4.861 1.00 0.00 C ATOM 1786 CZ PHE A 116 -6.885 -8.853 4.255 1.00 0.00 C ATOM 0 H PHE A 116 -0.571 -9.427 4.626 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.701 -11.065 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.387 -8.126 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -2.926 -9.229 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -5.101 -10.336 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.797 -7.643 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.394 -10.209 2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.089 -7.515 5.719 1.00 0.00 H new ATOM 0 HZ PHE A 116 -7.893 -8.795 4.637 1.00 0.00 H new ATOM 1796 N THR A 117 -0.932 -11.880 2.030 1.00 0.00 N ATOM 1797 CA THR A 117 0.090 -12.399 1.129 1.00 0.00 C ATOM 1798 C THR A 117 -0.241 -12.067 -0.321 1.00 0.00 C ATOM 1799 O THR A 117 -1.224 -12.563 -0.873 1.00 0.00 O ATOM 1800 CB THR A 117 0.227 -13.912 1.298 1.00 0.00 C ATOM 1801 OG1 THR A 117 -0.879 -14.585 0.721 1.00 0.00 O ATOM 1802 CG2 THR A 117 0.324 -14.346 2.745 1.00 0.00 C ATOM 0 H THR A 117 -1.627 -12.568 2.321 1.00 0.00 H new ATOM 0 HA THR A 117 1.037 -11.923 1.384 1.00 0.00 H new ATOM 0 HB THR A 117 1.156 -14.175 0.793 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.190 -14.089 -0.065 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.419 -15.431 2.794 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.197 -13.884 3.206 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.574 -14.036 3.279 1.00 0.00 H new ATOM 1810 N LEU A 118 0.585 -11.225 -0.935 1.00 0.00 N ATOM 1811 CA LEU A 118 0.376 -10.830 -2.323 1.00 0.00 C ATOM 1812 C LEU A 118 1.642 -11.041 -3.148 1.00 0.00 C ATOM 1813 O LEU A 118 2.742 -11.139 -2.603 1.00 0.00 O ATOM 1814 CB LEU A 118 -0.064 -9.367 -2.404 1.00 0.00 C ATOM 1815 CG LEU A 118 0.843 -8.372 -1.679 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.926 -7.858 -2.614 1.00 0.00 C ATOM 1817 CD2 LEU A 118 0.026 -7.216 -1.123 1.00 0.00 C ATOM 0 H LEU A 118 1.403 -10.804 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.413 -11.459 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.125 -9.080 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.070 -9.284 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 118 1.324 -8.887 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.562 -7.151 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.529 -8.694 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.464 -7.359 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.687 -6.517 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.481 -6.703 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.714 -7.598 -0.420 1.00 0.00 H new ATOM 1829 N ASP A 119 1.475 -11.115 -4.464 1.00 0.00 N ATOM 1830 CA ASP A 119 2.600 -11.320 -5.369 1.00 0.00 C ATOM 1831 C ASP A 119 3.556 -10.133 -5.331 1.00 0.00 C ATOM 1832 O ASP A 119 3.277 -9.117 -4.694 1.00 0.00 O ATOM 1833 CB ASP A 119 2.097 -11.538 -6.797 1.00 0.00 C ATOM 1834 CG ASP A 119 2.999 -12.462 -7.593 1.00 0.00 C ATOM 1835 OD1 ASP A 119 3.120 -13.646 -7.215 1.00 0.00 O ATOM 1836 OD2 ASP A 119 3.586 -12.000 -8.595 1.00 0.00 O ATOM 0 H ASP A 119 0.570 -11.036 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 119 3.141 -12.207 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.091 -11.956 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 119 2.027 -10.576 -7.305 1.00 0.00 H new ATOM 1841 N ARG A 120 4.685 -10.269 -6.018 1.00 0.00 N ATOM 1842 CA ARG A 120 5.687 -9.211 -6.065 1.00 0.00 C ATOM 1843 C ARG A 120 5.784 -8.613 -7.464 1.00 0.00 C ATOM 1844 O ARG A 120 5.743 -7.394 -7.633 1.00 0.00 O ATOM 1845 CB ARG A 120 7.051 -9.755 -5.635 1.00 0.00 C ATOM 1846 CG ARG A 120 8.150 -8.706 -5.629 1.00 0.00 C ATOM 1847 CD ARG A 120 9.526 -9.342 -5.512 1.00 0.00 C ATOM 1848 NE ARG A 120 9.846 -10.170 -6.672 1.00 0.00 N ATOM 1849 CZ ARG A 120 11.077 -10.573 -6.978 1.00 0.00 C ATOM 1850 NH1 ARG A 120 12.105 -10.230 -6.212 1.00 0.00 N ATOM 1851 NH2 ARG A 120 11.281 -11.323 -8.052 1.00 0.00 N ATOM 0 H ARG A 120 4.929 -11.104 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 120 5.381 -8.424 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.964 -10.183 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.337 -10.565 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.097 -8.117 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.994 -8.018 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.279 -8.561 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.568 -9.951 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 120 9.081 -10.456 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.954 -9.654 -5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.046 -10.542 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.495 -11.591 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.224 -11.632 -8.287 1.00 0.00 H new ATOM 1865 N LYS A 121 5.913 -9.478 -8.465 1.00 0.00 N ATOM 1866 CA LYS A 121 6.016 -9.034 -9.851 1.00 0.00 C ATOM 1867 C LYS A 121 4.782 -8.238 -10.261 1.00 0.00 C ATOM 1868 O LYS A 121 4.882 -7.251 -10.990 1.00 0.00 O ATOM 1869 CB LYS A 121 6.194 -10.236 -10.780 1.00 0.00 C ATOM 1870 CG LYS A 121 7.377 -11.118 -10.413 1.00 0.00 C ATOM 1871 CD LYS A 121 8.588 -10.815 -11.282 1.00 0.00 C ATOM 1872 CE LYS A 121 8.722 -11.812 -12.422 1.00 0.00 C ATOM 1873 NZ LYS A 121 8.472 -11.180 -13.746 1.00 0.00 N ATOM 0 H LYS A 121 5.949 -10.490 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 121 6.888 -8.385 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.284 -10.836 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.321 -9.879 -11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.633 -10.967 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.100 -12.166 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.502 -9.807 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.490 -10.837 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.722 -12.245 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.018 -12.631 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.573 -11.893 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.508 -10.789 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.159 -10.415 -13.901 1.00 0.00 H new ATOM 1887 N SER A 122 3.618 -8.671 -9.787 1.00 0.00 N ATOM 1888 CA SER A 122 2.365 -7.998 -10.104 1.00 0.00 C ATOM 1889 C SER A 122 2.393 -6.547 -9.633 1.00 0.00 C ATOM 1890 O SER A 122 1.760 -5.677 -10.232 1.00 0.00 O ATOM 1891 CB SER A 122 1.188 -8.731 -9.457 1.00 0.00 C ATOM 1892 OG SER A 122 -0.048 -8.269 -9.974 1.00 0.00 O ATOM 0 H SER A 122 3.517 -9.486 -9.182 1.00 0.00 H new ATOM 0 HA SER A 122 2.241 -8.010 -11.187 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.282 -9.803 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.212 -8.582 -8.377 1.00 0.00 H new ATOM 0 HG SER A 122 0.078 -7.387 -10.383 1.00 0.00 H new ATOM 1898 N VAL A 123 3.132 -6.294 -8.557 1.00 0.00 N ATOM 1899 CA VAL A 123 3.244 -4.949 -8.006 1.00 0.00 C ATOM 1900 C VAL A 123 3.905 -4.002 -9.001 1.00 0.00 C ATOM 1901 O VAL A 123 4.864 -4.368 -9.679 1.00 0.00 O ATOM 1902 CB VAL A 123 4.055 -4.944 -6.697 1.00 0.00 C ATOM 1903 CG1 VAL A 123 3.977 -3.582 -6.024 1.00 0.00 C ATOM 1904 CG2 VAL A 123 3.565 -6.040 -5.761 1.00 0.00 C ATOM 0 H VAL A 123 3.662 -7.003 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 123 2.230 -4.607 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 123 5.099 -5.144 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 123 4.556 -3.599 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 123 4.382 -2.822 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.937 -3.348 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.150 -6.021 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.514 -5.875 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.680 -7.010 -6.245 1.00 0.00 H new ATOM 1914 N PHE A 124 3.384 -2.781 -9.081 1.00 0.00 N ATOM 1915 CA PHE A 124 3.924 -1.779 -9.991 1.00 0.00 C ATOM 1916 C PHE A 124 3.399 -0.390 -9.643 1.00 0.00 C ATOM 1917 O PHE A 124 2.190 -0.179 -9.548 1.00 0.00 O ATOM 1918 CB PHE A 124 3.564 -2.124 -11.438 1.00 0.00 C ATOM 1919 CG PHE A 124 4.383 -1.381 -12.455 1.00 0.00 C ATOM 1920 CD1 PHE A 124 4.272 -0.006 -12.583 1.00 0.00 C ATOM 1921 CD2 PHE A 124 5.265 -2.059 -13.283 1.00 0.00 C ATOM 1922 CE1 PHE A 124 5.024 0.680 -13.519 1.00 0.00 C ATOM 1923 CE2 PHE A 124 6.019 -1.378 -14.220 1.00 0.00 C ATOM 1924 CZ PHE A 124 5.898 -0.007 -14.338 1.00 0.00 C ATOM 0 H PHE A 124 2.589 -2.463 -8.527 1.00 0.00 H new ATOM 0 HA PHE A 124 5.009 -1.776 -9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.695 -3.195 -11.591 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.509 -1.905 -11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 124 3.590 0.536 -11.944 1.00 0.00 H new ATOM 0 HD2 PHE A 124 5.364 -3.131 -13.195 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.928 1.752 -13.609 1.00 0.00 H new ATOM 0 HE2 PHE A 124 6.702 -1.917 -14.859 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.486 0.527 -15.070 1.00 0.00 H new ATOM 1934 N VAL A 125 4.316 0.552 -9.452 1.00 0.00 N ATOM 1935 CA VAL A 125 3.945 1.920 -9.113 1.00 0.00 C ATOM 1936 C VAL A 125 4.586 2.918 -10.072 1.00 0.00 C ATOM 1937 O VAL A 125 5.811 3.020 -10.149 1.00 0.00 O ATOM 1938 CB VAL A 125 4.351 2.273 -7.668 1.00 0.00 C ATOM 1939 CG1 VAL A 125 5.860 2.186 -7.497 1.00 0.00 C ATOM 1940 CG2 VAL A 125 3.842 3.657 -7.292 1.00 0.00 C ATOM 0 H VAL A 125 5.321 0.393 -9.526 1.00 0.00 H new ATOM 0 HA VAL A 125 2.860 1.984 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 125 3.892 1.548 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 125 6.125 2.439 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.193 1.172 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.344 2.885 -8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.138 3.888 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 125 4.268 4.398 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.755 3.678 -7.368 1.00 0.00 H new ATOM 1950 N ASP A 126 3.752 3.651 -10.802 1.00 0.00 N ATOM 1951 CA ASP A 126 4.238 4.640 -11.755 1.00 0.00 C ATOM 1952 C ASP A 126 3.579 5.995 -11.515 1.00 0.00 C ATOM 1953 O ASP A 126 2.576 6.092 -10.808 1.00 0.00 O ATOM 1954 CB ASP A 126 3.971 4.173 -13.189 1.00 0.00 C ATOM 1955 CG ASP A 126 5.222 4.196 -14.045 1.00 0.00 C ATOM 1956 OD1 ASP A 126 6.179 4.912 -13.680 1.00 0.00 O ATOM 1957 OD2 ASP A 126 5.245 3.500 -15.082 1.00 0.00 O ATOM 0 H ASP A 126 2.736 3.578 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 126 5.313 4.749 -11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 126 3.566 3.161 -13.170 1.00 0.00 H new ATOM 0 HB3 ASP A 126 3.212 4.812 -13.641 1.00 0.00 H new ATOM 1962 N SER A 127 4.148 7.038 -12.109 1.00 0.00 N ATOM 1963 CA SER A 127 3.616 8.388 -11.959 1.00 0.00 C ATOM 1964 C SER A 127 2.351 8.569 -12.792 1.00 0.00 C ATOM 1965 O SER A 127 2.402 8.583 -14.021 1.00 0.00 O ATOM 1966 CB SER A 127 4.665 9.422 -12.373 1.00 0.00 C ATOM 1967 OG SER A 127 5.975 8.959 -12.092 1.00 0.00 O ATOM 0 H SER A 127 4.978 6.975 -12.699 1.00 0.00 H new ATOM 0 HA SER A 127 3.364 8.538 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.571 9.634 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.486 10.358 -11.845 1.00 0.00 H new ATOM 0 HG SER A 127 6.627 9.637 -12.367 1.00 0.00 H new