USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 968 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: B 40 LYS NZ :NH3+ 171:sc= 1.19 (180deg=-0.0595) USER MOD Set 1.2: B 60 SER OG : rot -95:sc= 2.28 USER MOD Set 2.1: B 21 ASN : amide:sc= 0.14 K(o=0.33,f=-5.7!) USER MOD Set 2.2: B 27 LYS NZ :NH3+ -119:sc= 0.188 (180deg=-2.39!) USER MOD Set 3.1: B 14 HIS : no HD1:sc= 0.366 K(o=0.032,f=-5.3!) USER MOD Set 3.2: B 17 THR OG1 : rot 180:sc= -0.334 USER MOD Set 4.1: B 8 THR OG1 : rot -37:sc= 1.34 USER MOD Set 4.2: B 35 ASN : amide:sc= -0.143 K(o=1.2,f=-3.1!) USER MOD Set 5.1: A 14 HIS : no HD1:sc= 0.255 K(o=1.6,f=-3.7!) USER MOD Set 5.2: A 17 THR OG1 : rot -79:sc= 1.3 USER MOD Single : A 8 THR OG1 : rot -38:sc= -0.406 USER MOD Single : A 19 SER OG : rot 1:sc= 0.232 USER MOD Single : A 21 ASN : amide:sc= 1.1 K(o=1.1,f=-0.34) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0.835) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 1.08 (180deg=-0.31!) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.33 F(o=-2.2!,f=-1.3) USER MOD Single : A 33 SER OG : rot -138:sc= 0.994 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -1.51 (180deg=-2.48!) USER MOD Single : A 47 SER OG : rot -82:sc= 0.0786 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.101) USER MOD Single : A 58 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 60 SER OG : rot -92:sc= 0.639 USER MOD Single : A 61 ASN : amide:sc= -0.0455 X(o=-0.045,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.4) USER MOD Single : A 66 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 67 MET CE :methyl -160:sc= -0.0224 (180deg=-0.899) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.04) USER MOD Single : A 74 ASN : amide:sc= 0.353 K(o=0.35,f=-4.8!) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ -165:sc= -0.0667 (180deg=-0.346) USER MOD Single : B 26 THR OG1 : rot -84:sc= 1.32 USER MOD Single : B 30 ASN : amide:sc= 0.452 K(o=0.45,f=-2.5) USER MOD Single : B 33 SER OG : rot 180:sc= 0.00695 USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot -44:sc= 1.3 USER MOD Single : B 61 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 65 GLN :FLIP amide:sc= -0.631 F(o=-2.5!,f=-0.63) USER MOD Single : B 66 THR OG1 : rot 78:sc= 1.28 USER MOD Single : B 67 MET CE :methyl -169:sc= -0.123 (180deg=-0.408) USER MOD Single : B 72 LYS NZ :NH3+ 144:sc= 1.47 (180deg=-0.154!) USER MOD Single : B 74 ASN :FLIP amide:sc= -0.104 F(o=-1.7!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 13.140 9.547 -15.621 1.00 0.00 N ATOM 127 CA THR A 8 14.176 8.777 -14.966 1.00 0.00 C ATOM 128 C THR A 8 13.737 8.366 -13.567 1.00 0.00 C ATOM 129 O THR A 8 13.456 9.209 -12.714 1.00 0.00 O ATOM 130 CB THR A 8 15.495 9.570 -14.898 1.00 0.00 C ATOM 131 OG1 THR A 8 15.235 10.922 -14.486 1.00 0.00 O ATOM 132 CG2 THR A 8 16.196 9.569 -16.250 1.00 0.00 C ATOM 0 HA THR A 8 14.347 7.877 -15.557 1.00 0.00 H new ATOM 0 HB THR A 8 16.147 9.089 -14.169 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.399 11.233 -14.893 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.125 10.135 -16.179 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.418 8.543 -16.544 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.548 10.029 -16.996 1.00 0.00 H new ATOM 140 N PHE A 9 13.655 7.065 -13.352 1.00 0.00 N ATOM 141 CA PHE A 9 13.227 6.530 -12.075 1.00 0.00 C ATOM 142 C PHE A 9 14.410 5.951 -11.315 1.00 0.00 C ATOM 143 O PHE A 9 15.173 5.140 -11.843 1.00 0.00 O ATOM 144 CB PHE A 9 12.126 5.476 -12.271 1.00 0.00 C ATOM 145 CG PHE A 9 12.455 4.404 -13.279 1.00 0.00 C ATOM 146 CD1 PHE A 9 12.179 4.593 -14.624 1.00 0.00 C ATOM 147 CD2 PHE A 9 13.030 3.205 -12.880 1.00 0.00 C ATOM 148 CE1 PHE A 9 12.476 3.613 -15.552 1.00 0.00 C ATOM 149 CE2 PHE A 9 13.327 2.222 -13.804 1.00 0.00 C ATOM 150 CZ PHE A 9 13.049 2.425 -15.141 1.00 0.00 C ATOM 0 H PHE A 9 13.881 6.357 -14.051 1.00 0.00 H new ATOM 0 HA PHE A 9 12.811 7.344 -11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.920 5.003 -11.311 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.210 5.980 -12.581 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.726 5.517 -14.951 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.248 3.039 -11.835 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.260 3.776 -16.598 1.00 0.00 H new ATOM 0 HE2 PHE A 9 13.777 1.295 -13.481 1.00 0.00 H new ATOM 0 HZ PHE A 9 13.279 1.657 -15.864 1.00 0.00 H new ATOM 160 N GLU A 10 14.579 6.406 -10.089 1.00 0.00 N ATOM 161 CA GLU A 10 15.642 5.920 -9.229 1.00 0.00 C ATOM 162 C GLU A 10 15.137 5.829 -7.798 1.00 0.00 C ATOM 163 O GLU A 10 14.490 6.750 -7.305 1.00 0.00 O ATOM 164 CB GLU A 10 16.852 6.852 -9.314 1.00 0.00 C ATOM 165 CG GLU A 10 18.053 6.372 -8.518 1.00 0.00 C ATOM 166 CD GLU A 10 19.250 7.280 -8.678 1.00 0.00 C ATOM 167 OE1 GLU A 10 19.990 7.123 -9.672 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.459 8.154 -7.810 1.00 0.00 O ATOM 0 H GLU A 10 13.987 7.119 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 10 15.949 4.927 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.141 6.962 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.563 7.841 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.785 6.311 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.319 5.365 -8.839 1.00 0.00 H new ATOM 175 N ILE A 11 15.412 4.717 -7.142 1.00 0.00 N ATOM 176 CA ILE A 11 14.958 4.511 -5.776 1.00 0.00 C ATOM 177 C ILE A 11 16.005 5.022 -4.795 1.00 0.00 C ATOM 178 O ILE A 11 17.008 4.358 -4.535 1.00 0.00 O ATOM 179 CB ILE A 11 14.654 3.021 -5.500 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.618 2.503 -6.506 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.156 2.835 -4.071 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.339 1.019 -6.393 1.00 0.00 C ATOM 0 H ILE A 11 15.948 3.941 -7.532 1.00 0.00 H new ATOM 0 HA ILE A 11 14.033 5.072 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 11 15.572 2.446 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.685 3.049 -6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.966 2.721 -7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.947 1.780 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.920 3.176 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.245 3.415 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.597 0.731 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.260 0.462 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.959 0.795 -5.396 1.00 0.00 H new ATOM 194 N GLU A 12 15.781 6.221 -4.273 1.00 0.00 N ATOM 195 CA GLU A 12 16.734 6.839 -3.363 1.00 0.00 C ATOM 196 C GLU A 12 16.508 6.368 -1.935 1.00 0.00 C ATOM 197 O GLU A 12 17.402 6.457 -1.094 1.00 0.00 O ATOM 198 CB GLU A 12 16.633 8.366 -3.421 1.00 0.00 C ATOM 199 CG GLU A 12 15.308 8.917 -2.917 1.00 0.00 C ATOM 200 CD GLU A 12 15.314 10.428 -2.808 1.00 0.00 C ATOM 201 OE1 GLU A 12 15.024 11.103 -3.818 1.00 0.00 O ATOM 202 OE2 GLU A 12 15.619 10.945 -1.714 1.00 0.00 O ATOM 0 H GLU A 12 14.951 6.782 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 12 17.732 6.537 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.442 8.796 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.782 8.691 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.509 8.607 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.086 8.486 -1.941 1.00 0.00 H new ATOM 209 N GLU A 13 15.312 5.864 -1.662 1.00 0.00 N ATOM 210 CA GLU A 13 14.961 5.452 -0.316 1.00 0.00 C ATOM 211 C GLU A 13 14.157 4.162 -0.324 1.00 0.00 C ATOM 212 O GLU A 13 13.040 4.108 -0.846 1.00 0.00 O ATOM 213 CB GLU A 13 14.170 6.553 0.390 1.00 0.00 C ATOM 214 CG GLU A 13 13.770 6.200 1.813 1.00 0.00 C ATOM 215 CD GLU A 13 13.082 7.346 2.516 1.00 0.00 C ATOM 216 OE1 GLU A 13 13.787 8.213 3.074 1.00 0.00 O ATOM 217 OE2 GLU A 13 11.839 7.404 2.495 1.00 0.00 O ATOM 0 H GLU A 13 14.574 5.732 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 13 15.889 5.273 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.767 7.465 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.271 6.770 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.107 5.335 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.657 5.911 2.376 1.00 0.00 H new ATOM 224 N HIS A 14 14.739 3.124 0.247 1.00 0.00 N ATOM 225 CA HIS A 14 14.044 1.866 0.440 1.00 0.00 C ATOM 226 C HIS A 14 13.453 1.834 1.842 1.00 0.00 C ATOM 227 O HIS A 14 14.185 1.757 2.826 1.00 0.00 O ATOM 228 CB HIS A 14 15.014 0.697 0.234 1.00 0.00 C ATOM 229 CG HIS A 14 14.403 -0.658 0.408 1.00 0.00 C ATOM 230 ND1 HIS A 14 14.802 -1.538 1.386 1.00 0.00 N ATOM 231 CD2 HIS A 14 13.438 -1.295 -0.294 1.00 0.00 C ATOM 232 CE1 HIS A 14 14.113 -2.655 1.277 1.00 0.00 C ATOM 233 NE2 HIS A 14 13.275 -2.538 0.265 1.00 0.00 N ATOM 0 H HIS A 14 15.700 3.129 0.588 1.00 0.00 H new ATOM 0 HA HIS A 14 13.238 1.773 -0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.436 0.765 -0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.842 0.801 0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 14 12.895 -0.898 -1.139 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.217 -3.523 1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.617 -3.251 -0.049 1.00 0.00 H new ATOM 242 N LEU A 15 12.134 1.925 1.932 1.00 0.00 N ATOM 243 CA LEU A 15 11.464 1.947 3.225 1.00 0.00 C ATOM 244 C LEU A 15 11.627 0.612 3.937 1.00 0.00 C ATOM 245 O LEU A 15 12.339 0.518 4.940 1.00 0.00 O ATOM 246 CB LEU A 15 9.983 2.284 3.056 1.00 0.00 C ATOM 247 CG LEU A 15 9.697 3.696 2.546 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.215 3.872 2.269 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.174 4.731 3.554 1.00 0.00 C ATOM 0 H LEU A 15 11.508 1.985 1.129 1.00 0.00 H new ATOM 0 HA LEU A 15 11.927 2.721 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.539 1.567 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.484 2.152 4.016 1.00 0.00 H new ATOM 0 HG LEU A 15 10.242 3.842 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.030 4.883 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.898 3.152 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.651 3.707 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.963 5.731 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.654 4.584 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.247 4.620 3.709 1.00 0.00 H new ATOM 261 N LEU A 16 10.983 -0.421 3.409 1.00 0.00 N ATOM 262 CA LEU A 16 11.093 -1.755 3.981 1.00 0.00 C ATOM 263 C LEU A 16 10.572 -2.807 3.014 1.00 0.00 C ATOM 264 O LEU A 16 9.712 -2.525 2.173 1.00 0.00 O ATOM 265 CB LEU A 16 10.320 -1.869 5.301 1.00 0.00 C ATOM 266 CG LEU A 16 8.795 -1.796 5.183 1.00 0.00 C ATOM 267 CD1 LEU A 16 8.144 -2.575 6.311 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.321 -0.352 5.203 1.00 0.00 C ATOM 0 H LEU A 16 10.381 -0.360 2.588 1.00 0.00 H new ATOM 0 HA LEU A 16 12.152 -1.928 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.585 -2.814 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.654 -1.073 5.967 1.00 0.00 H new ATOM 0 HG LEU A 16 8.504 -2.240 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.060 -2.515 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.456 -3.618 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.448 -2.152 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.235 -0.324 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.624 0.117 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.764 0.188 4.366 1.00 0.00 H new ATOM 280 N THR A 17 11.110 -4.007 3.131 1.00 0.00 N ATOM 281 CA THR A 17 10.598 -5.150 2.405 1.00 0.00 C ATOM 282 C THR A 17 9.494 -5.816 3.219 1.00 0.00 C ATOM 283 O THR A 17 9.679 -6.111 4.401 1.00 0.00 O ATOM 284 CB THR A 17 11.718 -6.170 2.117 1.00 0.00 C ATOM 285 OG1 THR A 17 12.806 -5.518 1.452 1.00 0.00 O ATOM 286 CG2 THR A 17 11.206 -7.314 1.255 1.00 0.00 C ATOM 0 H THR A 17 11.910 -4.214 3.729 1.00 0.00 H new ATOM 0 HA THR A 17 10.198 -4.803 1.452 1.00 0.00 H new ATOM 0 HB THR A 17 12.059 -6.581 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.592 -5.412 0.502 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.016 -8.019 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.394 -7.824 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.841 -6.920 0.307 1.00 0.00 H new ATOM 294 N LEU A 18 8.342 -6.029 2.600 1.00 0.00 N ATOM 295 CA LEU A 18 7.222 -6.649 3.290 1.00 0.00 C ATOM 296 C LEU A 18 7.458 -8.145 3.412 1.00 0.00 C ATOM 297 O LEU A 18 7.622 -8.674 4.513 1.00 0.00 O ATOM 298 CB LEU A 18 5.911 -6.377 2.546 1.00 0.00 C ATOM 299 CG LEU A 18 5.588 -4.902 2.311 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.261 -4.758 1.578 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.563 -4.146 3.631 1.00 0.00 C ATOM 0 H LEU A 18 8.159 -5.783 1.627 1.00 0.00 H new ATOM 0 HA LEU A 18 7.143 -6.217 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.949 -6.882 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.093 -6.826 3.109 1.00 0.00 H new ATOM 0 HG LEU A 18 6.370 -4.470 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.046 -3.701 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.320 -5.265 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.465 -5.204 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.332 -3.097 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.802 -4.576 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.538 -4.223 4.113 1.00 0.00 H new ATOM 313 N SER A 19 7.493 -8.818 2.274 1.00 0.00 N ATOM 314 CA SER A 19 7.739 -10.250 2.229 1.00 0.00 C ATOM 315 C SER A 19 8.295 -10.643 0.866 1.00 0.00 C ATOM 316 O SER A 19 8.167 -9.895 -0.106 1.00 0.00 O ATOM 317 CB SER A 19 6.448 -11.025 2.513 1.00 0.00 C ATOM 318 OG SER A 19 5.974 -10.764 3.826 1.00 0.00 O ATOM 0 H SER A 19 7.352 -8.390 1.359 1.00 0.00 H new ATOM 0 HA SER A 19 8.471 -10.501 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.685 -10.747 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.628 -12.093 2.393 1.00 0.00 H new ATOM 0 HG SER A 19 6.570 -10.124 4.268 1.00 0.00 H new ATOM 324 N GLU A 20 8.935 -11.798 0.811 1.00 0.00 N ATOM 325 CA GLU A 20 9.415 -12.350 -0.443 1.00 0.00 C ATOM 326 C GLU A 20 8.598 -13.600 -0.750 1.00 0.00 C ATOM 327 O GLU A 20 8.781 -14.647 -0.125 1.00 0.00 O ATOM 328 CB GLU A 20 10.917 -12.653 -0.329 1.00 0.00 C ATOM 329 CG GLU A 20 11.653 -12.734 -1.660 1.00 0.00 C ATOM 330 CD GLU A 20 11.439 -14.046 -2.381 1.00 0.00 C ATOM 331 OE1 GLU A 20 12.121 -15.034 -2.034 1.00 0.00 O ATOM 332 OE2 GLU A 20 10.600 -14.098 -3.294 1.00 0.00 O ATOM 0 H GLU A 20 9.135 -12.375 1.628 1.00 0.00 H new ATOM 0 HA GLU A 20 9.292 -11.642 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.384 -11.881 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.044 -13.598 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.322 -11.917 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.720 -12.592 -1.487 1.00 0.00 H new ATOM 339 N ASN A 21 7.672 -13.470 -1.685 1.00 0.00 N ATOM 340 CA ASN A 21 6.668 -14.494 -1.926 1.00 0.00 C ATOM 341 C ASN A 21 7.162 -15.537 -2.916 1.00 0.00 C ATOM 342 O ASN A 21 7.870 -15.213 -3.875 1.00 0.00 O ATOM 343 CB ASN A 21 5.368 -13.874 -2.452 1.00 0.00 C ATOM 344 CG ASN A 21 4.859 -12.729 -1.593 1.00 0.00 C ATOM 345 OD1 ASN A 21 5.127 -11.561 -1.876 1.00 0.00 O ATOM 346 ND2 ASN A 21 4.131 -13.051 -0.535 1.00 0.00 N ATOM 0 H ASN A 21 7.594 -12.657 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 21 6.475 -14.981 -0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.530 -13.513 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.601 -14.647 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.771 -12.320 0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.930 -14.030 -0.333 1.00 0.00 H new ATOM 353 N GLU A 22 6.760 -16.786 -2.678 1.00 0.00 N ATOM 354 CA GLU A 22 7.110 -17.908 -3.535 1.00 0.00 C ATOM 355 C GLU A 22 8.626 -18.115 -3.579 1.00 0.00 C ATOM 356 O GLU A 22 9.186 -18.816 -2.735 1.00 0.00 O ATOM 357 CB GLU A 22 6.522 -17.699 -4.940 1.00 0.00 C ATOM 358 CG GLU A 22 6.834 -18.814 -5.918 1.00 0.00 C ATOM 359 CD GLU A 22 6.294 -20.157 -5.481 1.00 0.00 C ATOM 360 OE1 GLU A 22 6.980 -20.849 -4.706 1.00 0.00 O ATOM 361 OE2 GLU A 22 5.192 -20.536 -5.927 1.00 0.00 O ATOM 0 H GLU A 22 6.180 -17.044 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 22 6.677 -18.818 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.440 -17.596 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.901 -16.760 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.416 -18.561 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.914 -18.887 -6.043 1.00 0.00 H new ATOM 368 N LYS A 23 9.276 -17.483 -4.549 1.00 0.00 N ATOM 369 CA LYS A 23 10.718 -17.579 -4.743 1.00 0.00 C ATOM 370 C LYS A 23 11.143 -16.663 -5.883 1.00 0.00 C ATOM 371 O LYS A 23 11.366 -17.105 -7.012 1.00 0.00 O ATOM 372 CB LYS A 23 11.167 -19.029 -5.009 1.00 0.00 C ATOM 373 CG LYS A 23 10.249 -19.817 -5.936 1.00 0.00 C ATOM 374 CD LYS A 23 10.783 -21.218 -6.185 1.00 0.00 C ATOM 375 CE LYS A 23 9.747 -22.091 -6.877 1.00 0.00 C ATOM 376 NZ LYS A 23 8.654 -22.505 -5.954 1.00 0.00 N ATOM 0 H LYS A 23 8.812 -16.883 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 23 11.207 -17.259 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.168 -19.012 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.238 -19.554 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.253 -19.878 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.148 -19.290 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.683 -21.163 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.071 -21.673 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.322 -21.548 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.234 -22.978 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.929 -23.026 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.043 -23.117 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.226 -21.661 -5.522 1.00 0.00 H new ATOM 390 N GLY A 24 11.203 -15.375 -5.590 1.00 0.00 N ATOM 391 CA GLY A 24 11.556 -14.399 -6.596 1.00 0.00 C ATOM 392 C GLY A 24 10.554 -13.268 -6.660 1.00 0.00 C ATOM 393 O GLY A 24 10.815 -12.237 -7.275 1.00 0.00 O ATOM 0 H GLY A 24 11.012 -14.986 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.545 -13.996 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.616 -14.886 -7.569 1.00 0.00 H new ATOM 397 N TRP A 25 9.409 -13.456 -6.018 1.00 0.00 N ATOM 398 CA TRP A 25 8.379 -12.433 -5.995 1.00 0.00 C ATOM 399 C TRP A 25 8.529 -11.562 -4.764 1.00 0.00 C ATOM 400 O TRP A 25 7.866 -11.780 -3.754 1.00 0.00 O ATOM 401 CB TRP A 25 6.981 -13.056 -6.020 1.00 0.00 C ATOM 402 CG TRP A 25 6.471 -13.345 -7.396 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.590 -14.510 -8.098 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.743 -12.442 -8.233 1.00 0.00 C ATOM 405 NE1 TRP A 25 5.978 -14.383 -9.323 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.455 -13.121 -9.428 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.312 -11.119 -8.088 1.00 0.00 C ATOM 408 CZ2 TRP A 25 4.749 -12.527 -10.467 1.00 0.00 C ATOM 409 CZ3 TRP A 25 4.613 -10.530 -9.122 1.00 0.00 C ATOM 410 CH2 TRP A 25 4.339 -11.234 -10.300 1.00 0.00 C ATOM 0 H TRP A 25 9.173 -14.307 -5.508 1.00 0.00 H new ATOM 0 HA TRP A 25 8.499 -11.819 -6.887 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.997 -13.983 -5.447 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.285 -12.383 -5.519 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.090 -15.399 -7.744 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.923 -15.110 -10.037 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.523 -10.568 -7.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.532 -13.069 -11.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.272 -9.510 -9.020 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.792 -10.746 -11.093 1.00 0.00 H new ATOM 421 N THR A 26 9.401 -10.578 -4.837 1.00 0.00 N ATOM 422 CA THR A 26 9.629 -9.719 -3.697 1.00 0.00 C ATOM 423 C THR A 26 8.608 -8.592 -3.699 1.00 0.00 C ATOM 424 O THR A 26 8.324 -8.007 -4.740 1.00 0.00 O ATOM 425 CB THR A 26 11.052 -9.133 -3.723 1.00 0.00 C ATOM 426 OG1 THR A 26 11.998 -10.175 -3.988 1.00 0.00 O ATOM 427 CG2 THR A 26 11.394 -8.467 -2.398 1.00 0.00 C ATOM 0 H THR A 26 9.957 -10.356 -5.663 1.00 0.00 H new ATOM 0 HA THR A 26 9.522 -10.313 -2.789 1.00 0.00 H new ATOM 0 HB THR A 26 11.096 -8.381 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.903 -9.799 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.405 -8.062 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.688 -7.660 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.334 -9.202 -1.595 1.00 0.00 H new ATOM 435 N LYS A 27 8.057 -8.293 -2.540 1.00 0.00 N ATOM 436 CA LYS A 27 7.057 -7.251 -2.434 1.00 0.00 C ATOM 437 C LYS A 27 7.429 -6.304 -1.309 1.00 0.00 C ATOM 438 O LYS A 27 7.522 -6.705 -0.147 1.00 0.00 O ATOM 439 CB LYS A 27 5.680 -7.875 -2.202 1.00 0.00 C ATOM 440 CG LYS A 27 4.528 -6.889 -2.304 1.00 0.00 C ATOM 441 CD LYS A 27 3.191 -7.610 -2.381 1.00 0.00 C ATOM 442 CE LYS A 27 2.953 -8.477 -1.155 1.00 0.00 C ATOM 443 NZ LYS A 27 1.730 -9.316 -1.285 1.00 0.00 N ATOM 0 H LYS A 27 8.284 -8.756 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 27 7.017 -6.681 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.527 -8.673 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.663 -8.336 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.537 -6.225 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.658 -6.264 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.387 -6.879 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.162 -8.230 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.818 -9.121 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.862 -7.841 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.192 -9.286 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.139 -8.951 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.003 -10.298 -1.491 1.00 0.00 H new ATOM 457 N GLU A 28 7.666 -5.054 -1.657 1.00 0.00 N ATOM 458 CA GLU A 28 8.159 -4.086 -0.698 1.00 0.00 C ATOM 459 C GLU A 28 7.663 -2.687 -1.022 1.00 0.00 C ATOM 460 O GLU A 28 7.006 -2.467 -2.041 1.00 0.00 O ATOM 461 CB GLU A 28 9.686 -4.120 -0.680 1.00 0.00 C ATOM 462 CG GLU A 28 10.320 -4.046 -2.061 1.00 0.00 C ATOM 463 CD GLU A 28 11.825 -4.151 -2.001 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.344 -4.693 -1.001 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.499 -3.676 -2.933 1.00 0.00 O ATOM 0 H GLU A 28 7.525 -4.685 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 28 7.778 -4.350 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.051 -3.288 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.014 -5.036 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.926 -4.849 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.041 -3.106 -2.538 1.00 0.00 H new ATOM 472 N ILE A 29 7.975 -1.751 -0.138 1.00 0.00 N ATOM 473 CA ILE A 29 7.590 -0.365 -0.323 1.00 0.00 C ATOM 474 C ILE A 29 8.832 0.517 -0.334 1.00 0.00 C ATOM 475 O ILE A 29 9.697 0.403 0.540 1.00 0.00 O ATOM 476 CB ILE A 29 6.624 0.110 0.784 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.461 -0.877 0.933 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.100 1.503 0.462 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.500 -0.526 2.047 1.00 0.00 C ATOM 0 H ILE A 29 8.497 -1.931 0.719 1.00 0.00 H new ATOM 0 HA ILE A 29 7.071 -0.286 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 29 7.166 0.152 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.912 -0.921 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.864 -1.874 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.420 1.827 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.936 2.200 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.569 1.481 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.705 -1.270 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.034 -0.511 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.067 0.456 1.858 1.00 0.00 H new ATOM 491 N ASN A 30 8.929 1.374 -1.334 1.00 0.00 N ATOM 492 CA ASN A 30 10.079 2.254 -1.486 1.00 0.00 C ATOM 493 C ASN A 30 9.661 3.591 -2.080 1.00 0.00 C ATOM 494 O ASN A 30 8.537 3.736 -2.550 1.00 0.00 O ATOM 495 CB ASN A 30 11.150 1.586 -2.367 1.00 0.00 C ATOM 496 CG ASN A 30 10.613 0.995 -3.671 1.00 0.00 C ATOM 497 OD1 ASN A 30 9.602 1.617 -4.265 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 11.120 -0.018 -4.146 1.00 0.00 N flip ATOM 0 H ASN A 30 8.220 1.481 -2.060 1.00 0.00 H new ATOM 0 HA ASN A 30 10.503 2.438 -0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.919 2.321 -2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.633 0.794 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.896 -0.473 -3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.765 -0.404 -5.021 1.00 0.00 H new ATOM 505 N ARG A 31 10.556 4.564 -2.053 1.00 0.00 N ATOM 506 CA ARG A 31 10.286 5.848 -2.681 1.00 0.00 C ATOM 507 C ARG A 31 11.070 5.985 -3.972 1.00 0.00 C ATOM 508 O ARG A 31 12.298 5.870 -3.984 1.00 0.00 O ATOM 509 CB ARG A 31 10.603 7.020 -1.750 1.00 0.00 C ATOM 510 CG ARG A 31 9.533 7.270 -0.702 1.00 0.00 C ATOM 511 CD ARG A 31 9.612 8.686 -0.149 1.00 0.00 C ATOM 512 NE ARG A 31 10.858 8.933 0.567 1.00 0.00 N ATOM 513 CZ ARG A 31 11.642 9.995 0.372 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.325 10.912 -0.536 1.00 0.00 N ATOM 515 NH2 ARG A 31 12.745 10.136 1.094 1.00 0.00 N ATOM 0 H ARG A 31 11.470 4.491 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 31 9.219 5.879 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.552 6.829 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.733 7.923 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.548 7.104 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.645 6.554 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.519 9.399 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.770 8.859 0.521 1.00 0.00 H new ATOM 0 HE ARG A 31 11.150 8.248 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.476 10.808 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.931 11.720 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.990 9.435 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.349 10.945 0.950 1.00 0.00 H new ATOM 529 N VAL A 32 10.351 6.223 -5.055 1.00 0.00 N ATOM 530 CA VAL A 32 10.964 6.369 -6.362 1.00 0.00 C ATOM 531 C VAL A 32 11.065 7.842 -6.732 1.00 0.00 C ATOM 532 O VAL A 32 10.073 8.578 -6.671 1.00 0.00 O ATOM 533 CB VAL A 32 10.166 5.618 -7.448 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.853 5.729 -8.802 1.00 0.00 C ATOM 535 CG2 VAL A 32 9.974 4.158 -7.062 1.00 0.00 C ATOM 0 H VAL A 32 9.336 6.320 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 32 11.962 5.934 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 32 9.184 6.084 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.271 5.191 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.929 6.778 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.852 5.297 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.409 3.647 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.947 3.681 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.428 4.099 -6.120 1.00 0.00 H new ATOM 545 N SER A 33 12.267 8.267 -7.084 1.00 0.00 N ATOM 546 CA SER A 33 12.513 9.632 -7.499 1.00 0.00 C ATOM 547 C SER A 33 12.325 9.759 -9.003 1.00 0.00 C ATOM 548 O SER A 33 13.129 9.244 -9.783 1.00 0.00 O ATOM 549 CB SER A 33 13.936 10.041 -7.119 1.00 0.00 C ATOM 550 OG SER A 33 14.287 9.528 -5.845 1.00 0.00 O ATOM 0 H SER A 33 13.097 7.674 -7.089 1.00 0.00 H new ATOM 0 HA SER A 33 11.805 10.290 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.637 9.674 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.017 11.128 -7.113 1.00 0.00 H new ATOM 0 HG SER A 33 14.776 10.211 -5.341 1.00 0.00 H new ATOM 556 N PHE A 34 11.251 10.413 -9.409 1.00 0.00 N ATOM 557 CA PHE A 34 10.997 10.653 -10.821 1.00 0.00 C ATOM 558 C PHE A 34 11.667 11.950 -11.245 1.00 0.00 C ATOM 559 O PHE A 34 11.301 13.024 -10.767 1.00 0.00 O ATOM 560 CB PHE A 34 9.494 10.709 -11.103 1.00 0.00 C ATOM 561 CG PHE A 34 8.796 9.390 -10.910 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.756 8.460 -11.936 1.00 0.00 C ATOM 563 CD2 PHE A 34 8.184 9.079 -9.706 1.00 0.00 C ATOM 564 CE1 PHE A 34 8.120 7.244 -11.765 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.546 7.865 -9.529 1.00 0.00 C ATOM 566 CZ PHE A 34 7.515 6.947 -10.561 1.00 0.00 C ATOM 0 H PHE A 34 10.540 10.788 -8.782 1.00 0.00 H new ATOM 0 HA PHE A 34 11.414 9.828 -11.399 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.037 11.452 -10.449 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.337 11.047 -12.127 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.227 8.687 -12.881 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.206 9.793 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.097 6.528 -12.573 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.073 7.635 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.018 5.998 -10.425 1.00 0.00 H new ATOM 576 N ASN A 35 12.664 11.824 -12.122 1.00 0.00 N ATOM 577 CA ASN A 35 13.498 12.947 -12.577 1.00 0.00 C ATOM 578 C ASN A 35 14.546 13.310 -11.528 1.00 0.00 C ATOM 579 O ASN A 35 15.683 13.639 -11.864 1.00 0.00 O ATOM 580 CB ASN A 35 12.671 14.189 -12.949 1.00 0.00 C ATOM 581 CG ASN A 35 11.909 14.027 -14.251 1.00 0.00 C ATOM 582 OD1 ASN A 35 12.436 14.304 -15.329 1.00 0.00 O ATOM 583 ND2 ASN A 35 10.656 13.610 -14.158 1.00 0.00 N ATOM 0 H ASN A 35 12.921 10.931 -12.543 1.00 0.00 H new ATOM 0 HA ASN A 35 14.000 12.608 -13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.966 14.403 -12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.335 15.050 -13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.089 13.508 -15.000 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.258 13.391 -13.245 1.00 0.00 H new ATOM 590 N GLY A 36 14.169 13.249 -10.259 1.00 0.00 N ATOM 591 CA GLY A 36 15.122 13.504 -9.200 1.00 0.00 C ATOM 592 C GLY A 36 14.465 13.994 -7.926 1.00 0.00 C ATOM 593 O GLY A 36 14.492 13.309 -6.906 1.00 0.00 O ATOM 0 H GLY A 36 13.224 13.028 -9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.677 12.590 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.845 14.245 -9.539 1.00 0.00 H new ATOM 597 N ALA A 37 13.869 15.178 -7.987 1.00 0.00 N ATOM 598 CA ALA A 37 13.284 15.804 -6.805 1.00 0.00 C ATOM 599 C ALA A 37 12.032 15.075 -6.301 1.00 0.00 C ATOM 600 O ALA A 37 11.955 14.734 -5.118 1.00 0.00 O ATOM 601 CB ALA A 37 12.988 17.279 -7.057 1.00 0.00 C ATOM 0 H ALA A 37 13.777 15.726 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 37 14.030 15.727 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.553 17.721 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.913 17.799 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.286 17.373 -7.885 1.00 0.00 H new ATOM 607 N PRO A 38 11.027 14.831 -7.168 1.00 0.00 N ATOM 608 CA PRO A 38 9.785 14.173 -6.763 1.00 0.00 C ATOM 609 C PRO A 38 9.976 12.685 -6.489 1.00 0.00 C ATOM 610 O PRO A 38 9.832 11.848 -7.383 1.00 0.00 O ATOM 611 CB PRO A 38 8.837 14.387 -7.956 1.00 0.00 C ATOM 612 CG PRO A 38 9.534 15.366 -8.844 1.00 0.00 C ATOM 613 CD PRO A 38 10.999 15.171 -8.590 1.00 0.00 C ATOM 0 HA PRO A 38 9.402 14.587 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.645 13.450 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.872 14.772 -7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.291 15.187 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.229 16.387 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.416 14.375 -9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.572 16.073 -8.804 1.00 0.00 H new ATOM 621 N ALA A 39 10.340 12.376 -5.255 1.00 0.00 N ATOM 622 CA ALA A 39 10.485 11.000 -4.815 1.00 0.00 C ATOM 623 C ALA A 39 9.348 10.635 -3.880 1.00 0.00 C ATOM 624 O ALA A 39 9.347 11.022 -2.710 1.00 0.00 O ATOM 625 CB ALA A 39 11.822 10.796 -4.119 1.00 0.00 C ATOM 0 H ALA A 39 10.542 13.069 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 39 10.452 10.350 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.910 9.758 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.632 11.032 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.884 11.452 -3.250 1.00 0.00 H new ATOM 631 N LYS A 40 8.369 9.907 -4.388 1.00 0.00 N ATOM 632 CA LYS A 40 7.212 9.568 -3.578 1.00 0.00 C ATOM 633 C LYS A 40 7.111 8.065 -3.374 1.00 0.00 C ATOM 634 O LYS A 40 7.930 7.303 -3.884 1.00 0.00 O ATOM 635 CB LYS A 40 5.919 10.128 -4.175 1.00 0.00 C ATOM 636 CG LYS A 40 5.542 9.557 -5.529 1.00 0.00 C ATOM 637 CD LYS A 40 4.176 10.063 -5.977 1.00 0.00 C ATOM 638 CE LYS A 40 4.243 11.431 -6.652 1.00 0.00 C ATOM 639 NZ LYS A 40 4.841 12.494 -5.798 1.00 0.00 N ATOM 0 H LYS A 40 8.350 9.544 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 40 7.350 10.035 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.103 9.940 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.017 11.210 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.295 9.834 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.531 8.468 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.736 9.344 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.514 10.121 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.825 11.345 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.236 11.733 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.557 13.428 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.506 12.383 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.878 12.415 -5.820 1.00 0.00 H new ATOM 653 N PHE A 41 6.096 7.653 -2.636 1.00 0.00 N ATOM 654 CA PHE A 41 5.990 6.285 -2.168 1.00 0.00 C ATOM 655 C PHE A 41 5.408 5.375 -3.242 1.00 0.00 C ATOM 656 O PHE A 41 4.438 5.727 -3.907 1.00 0.00 O ATOM 657 CB PHE A 41 5.115 6.248 -0.916 1.00 0.00 C ATOM 658 CG PHE A 41 5.520 7.250 0.130 1.00 0.00 C ATOM 659 CD1 PHE A 41 6.461 6.924 1.089 1.00 0.00 C ATOM 660 CD2 PHE A 41 4.958 8.518 0.151 1.00 0.00 C ATOM 661 CE1 PHE A 41 6.835 7.843 2.052 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.326 9.440 1.110 1.00 0.00 C ATOM 663 CZ PHE A 41 6.267 9.102 2.062 1.00 0.00 C ATOM 0 H PHE A 41 5.326 8.255 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 41 6.989 5.920 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.079 6.431 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.155 5.248 -0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.909 5.941 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.223 8.787 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.571 7.576 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.879 10.423 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.559 9.821 2.813 1.00 0.00 H new ATOM 673 N ASP A 42 6.007 4.211 -3.407 1.00 0.00 N ATOM 674 CA ASP A 42 5.544 3.240 -4.384 1.00 0.00 C ATOM 675 C ASP A 42 5.570 1.840 -3.783 1.00 0.00 C ATOM 676 O ASP A 42 6.589 1.408 -3.235 1.00 0.00 O ATOM 677 CB ASP A 42 6.423 3.296 -5.637 1.00 0.00 C ATOM 678 CG ASP A 42 5.937 2.383 -6.747 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.071 2.812 -7.542 1.00 0.00 O ATOM 680 OD2 ASP A 42 6.431 1.242 -6.848 1.00 0.00 O ATOM 0 H ASP A 42 6.823 3.912 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 42 4.519 3.481 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.454 4.321 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.444 3.022 -5.370 1.00 0.00 H new ATOM 685 N ILE A 43 4.441 1.154 -3.852 1.00 0.00 N ATOM 686 CA ILE A 43 4.343 -0.213 -3.363 1.00 0.00 C ATOM 687 C ILE A 43 4.341 -1.161 -4.550 1.00 0.00 C ATOM 688 O ILE A 43 3.355 -1.245 -5.284 1.00 0.00 O ATOM 689 CB ILE A 43 3.060 -0.438 -2.532 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.950 0.612 -1.421 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.052 -1.843 -1.943 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.682 0.497 -0.602 1.00 0.00 C ATOM 0 H ILE A 43 3.575 1.523 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 43 5.198 -0.403 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 43 2.197 -0.333 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.810 0.519 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.996 1.606 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.143 -1.988 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.087 -2.576 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.921 -1.972 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.673 1.272 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.816 0.620 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.643 -0.484 -0.128 1.00 0.00 H new ATOM 704 N ARG A 44 5.439 -1.870 -4.748 1.00 0.00 N ATOM 705 CA ARG A 44 5.614 -2.630 -5.970 1.00 0.00 C ATOM 706 C ARG A 44 6.111 -4.039 -5.692 1.00 0.00 C ATOM 707 O ARG A 44 6.881 -4.272 -4.756 1.00 0.00 O ATOM 708 CB ARG A 44 6.586 -1.890 -6.888 1.00 0.00 C ATOM 709 CG ARG A 44 6.612 -2.408 -8.314 1.00 0.00 C ATOM 710 CD ARG A 44 7.185 -1.366 -9.256 1.00 0.00 C ATOM 711 NE ARG A 44 6.469 -0.095 -9.136 1.00 0.00 N ATOM 712 CZ ARG A 44 5.800 0.487 -10.127 1.00 0.00 C ATOM 713 NH1 ARG A 44 5.804 -0.049 -11.341 1.00 0.00 N ATOM 714 NH2 ARG A 44 5.136 1.615 -9.904 1.00 0.00 N ATOM 0 H ARG A 44 6.213 -1.934 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 44 4.645 -2.724 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.321 -0.833 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.590 -1.962 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.210 -3.318 -8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.602 -2.672 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.241 -1.214 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.123 -1.726 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 44 6.484 0.376 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.321 -0.910 -11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.290 0.400 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.140 2.034 -8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.622 2.063 -10.663 1.00 0.00 H new ATOM 728 N ALA A 45 5.639 -4.975 -6.500 1.00 0.00 N ATOM 729 CA ALA A 45 6.111 -6.342 -6.446 1.00 0.00 C ATOM 730 C ALA A 45 7.068 -6.596 -7.600 1.00 0.00 C ATOM 731 O ALA A 45 6.793 -6.218 -8.744 1.00 0.00 O ATOM 732 CB ALA A 45 4.946 -7.322 -6.483 1.00 0.00 C ATOM 0 H ALA A 45 4.923 -4.806 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 45 6.640 -6.496 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.327 -8.342 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.293 -7.143 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.383 -7.183 -7.406 1.00 0.00 H new ATOM 738 N TRP A 46 8.186 -7.224 -7.295 1.00 0.00 N ATOM 739 CA TRP A 46 9.201 -7.509 -8.287 1.00 0.00 C ATOM 740 C TRP A 46 9.198 -8.997 -8.601 1.00 0.00 C ATOM 741 O TRP A 46 8.966 -9.826 -7.720 1.00 0.00 O ATOM 742 CB TRP A 46 10.586 -7.084 -7.783 1.00 0.00 C ATOM 743 CG TRP A 46 10.664 -5.643 -7.378 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.695 -5.154 -6.104 1.00 0.00 C ATOM 745 CD2 TRP A 46 10.721 -4.506 -8.246 1.00 0.00 C ATOM 746 NE1 TRP A 46 10.774 -3.784 -6.127 1.00 0.00 N ATOM 747 CE2 TRP A 46 10.792 -3.362 -7.428 1.00 0.00 C ATOM 748 CE3 TRP A 46 10.725 -4.343 -9.634 1.00 0.00 C ATOM 749 CZ2 TRP A 46 10.861 -2.076 -7.952 1.00 0.00 C ATOM 750 CZ3 TRP A 46 10.793 -3.064 -10.152 1.00 0.00 C ATOM 751 CH2 TRP A 46 10.863 -1.945 -9.313 1.00 0.00 C ATOM 0 H TRP A 46 8.415 -7.550 -6.356 1.00 0.00 H new ATOM 0 HA TRP A 46 8.977 -6.944 -9.192 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.860 -7.707 -6.931 1.00 0.00 H new ATOM 0 HB3 TRP A 46 11.321 -7.273 -8.565 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.662 -5.757 -5.209 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.813 -3.179 -5.307 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.676 -5.200 -10.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.911 -1.211 -7.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.792 -2.925 -11.223 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.920 -0.959 -9.750 1.00 0.00 H new ATOM 762 N SER A 47 9.442 -9.328 -9.854 1.00 0.00 N ATOM 763 CA SER A 47 9.419 -10.709 -10.296 1.00 0.00 C ATOM 764 C SER A 47 10.838 -11.238 -10.467 1.00 0.00 C ATOM 765 O SER A 47 11.791 -10.458 -10.485 1.00 0.00 O ATOM 766 CB SER A 47 8.664 -10.800 -11.619 1.00 0.00 C ATOM 767 OG SER A 47 7.421 -10.130 -11.536 1.00 0.00 O ATOM 0 H SER A 47 9.660 -8.655 -10.588 1.00 0.00 H new ATOM 0 HA SER A 47 8.915 -11.317 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.265 -10.363 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.502 -11.846 -11.879 1.00 0.00 H new ATOM 0 HG SER A 47 6.758 -10.721 -11.122 1.00 0.00 H new ATOM 877 N LYS A 55 1.921 -5.691 -10.641 1.00 0.00 N ATOM 878 CA LYS A 55 1.084 -4.563 -10.222 1.00 0.00 C ATOM 879 C LYS A 55 1.917 -3.294 -10.021 1.00 0.00 C ATOM 880 O LYS A 55 2.296 -2.643 -10.996 1.00 0.00 O ATOM 881 CB LYS A 55 0.282 -4.893 -8.950 1.00 0.00 C ATOM 882 CG LYS A 55 -0.946 -5.769 -9.188 1.00 0.00 C ATOM 883 CD LYS A 55 -0.588 -7.157 -9.701 1.00 0.00 C ATOM 884 CE LYS A 55 -1.829 -8.019 -9.888 1.00 0.00 C ATOM 885 NZ LYS A 55 -2.476 -8.360 -8.592 1.00 0.00 N ATOM 0 HA LYS A 55 0.372 -4.377 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.940 -5.395 -8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.037 -3.961 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.506 -5.863 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.603 -5.279 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.058 -7.070 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.091 -7.642 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.543 -7.493 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.557 -8.937 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.210 -9.080 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.761 -8.732 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.910 -7.507 -8.185 1.00 0.00 H new ATOM 899 N GLY A 56 2.214 -2.960 -8.767 1.00 0.00 N ATOM 900 CA GLY A 56 3.001 -1.774 -8.474 1.00 0.00 C ATOM 901 C GLY A 56 2.167 -0.507 -8.484 1.00 0.00 C ATOM 902 O GLY A 56 1.825 0.008 -9.549 1.00 0.00 O ATOM 0 H GLY A 56 1.923 -3.492 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.473 -1.887 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.803 -1.683 -9.207 1.00 0.00 H new ATOM 906 N ILE A 57 1.857 0.005 -7.300 1.00 0.00 N ATOM 907 CA ILE A 57 1.002 1.175 -7.174 1.00 0.00 C ATOM 908 C ILE A 57 1.729 2.311 -6.456 1.00 0.00 C ATOM 909 O ILE A 57 2.307 2.125 -5.382 1.00 0.00 O ATOM 910 CB ILE A 57 -0.317 0.836 -6.431 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.218 2.073 -6.329 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.036 0.255 -5.049 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.563 1.793 -5.695 1.00 0.00 C ATOM 0 H ILE A 57 2.186 -0.374 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 57 0.752 1.502 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.843 0.078 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.704 2.839 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.374 2.481 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.979 0.027 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.551 -0.658 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.521 0.980 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.146 2.713 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.097 1.050 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.417 1.413 -4.684 1.00 0.00 H new ATOM 925 N THR A 58 1.705 3.484 -7.066 1.00 0.00 N ATOM 926 CA THR A 58 2.360 4.652 -6.511 1.00 0.00 C ATOM 927 C THR A 58 1.378 5.472 -5.674 1.00 0.00 C ATOM 928 O THR A 58 0.239 5.706 -6.086 1.00 0.00 O ATOM 929 CB THR A 58 2.936 5.529 -7.640 1.00 0.00 C ATOM 930 OG1 THR A 58 3.580 4.698 -8.618 1.00 0.00 O ATOM 931 CG2 THR A 58 3.938 6.537 -7.097 1.00 0.00 C ATOM 0 H THR A 58 1.233 3.651 -7.955 1.00 0.00 H new ATOM 0 HA THR A 58 3.174 4.314 -5.870 1.00 0.00 H new ATOM 0 HB THR A 58 2.112 6.075 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.206 4.091 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.327 7.141 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.446 7.184 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.760 6.009 -6.614 1.00 0.00 H new ATOM 939 N LEU A 59 1.819 5.894 -4.496 1.00 0.00 N ATOM 940 CA LEU A 59 0.992 6.684 -3.594 1.00 0.00 C ATOM 941 C LEU A 59 1.629 8.050 -3.375 1.00 0.00 C ATOM 942 O LEU A 59 2.855 8.173 -3.341 1.00 0.00 O ATOM 943 CB LEU A 59 0.833 5.970 -2.244 1.00 0.00 C ATOM 944 CG LEU A 59 0.295 4.537 -2.304 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.243 3.933 -0.910 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.085 4.507 -2.946 1.00 0.00 C ATOM 0 H LEU A 59 2.755 5.699 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 59 0.007 6.807 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.803 5.953 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.165 6.562 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 59 0.972 3.942 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.141 2.915 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.245 3.918 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.412 4.532 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.449 3.480 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.772 5.117 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.023 4.903 -3.960 1.00 0.00 H new ATOM 958 N SER A 60 0.809 9.080 -3.233 1.00 0.00 N ATOM 959 CA SER A 60 1.332 10.412 -2.980 1.00 0.00 C ATOM 960 C SER A 60 1.607 10.585 -1.488 1.00 0.00 C ATOM 961 O SER A 60 1.123 9.798 -0.669 1.00 0.00 O ATOM 962 CB SER A 60 0.364 11.486 -3.485 1.00 0.00 C ATOM 963 OG SER A 60 -0.878 11.433 -2.806 1.00 0.00 O ATOM 0 H SER A 60 -0.208 9.021 -3.288 1.00 0.00 H new ATOM 0 HA SER A 60 2.268 10.530 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.811 12.471 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.200 11.354 -4.554 1.00 0.00 H new ATOM 0 HG SER A 60 -1.500 10.864 -3.306 1.00 0.00 H new ATOM 969 N ASN A 61 2.381 11.609 -1.144 1.00 0.00 N ATOM 970 CA ASN A 61 2.787 11.846 0.244 1.00 0.00 C ATOM 971 C ASN A 61 1.581 11.974 1.174 1.00 0.00 C ATOM 972 O ASN A 61 1.553 11.378 2.251 1.00 0.00 O ATOM 973 CB ASN A 61 3.655 13.109 0.335 1.00 0.00 C ATOM 974 CG ASN A 61 4.052 13.450 1.763 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.060 12.962 2.275 1.00 0.00 O ATOM 976 ND2 ASN A 61 3.273 14.304 2.414 1.00 0.00 N ATOM 0 H ASN A 61 2.743 12.293 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 61 3.368 10.982 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.555 12.970 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.112 13.950 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.502 14.576 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.445 14.689 1.958 1.00 0.00 H new ATOM 983 N GLU A 62 0.585 12.737 0.745 1.00 0.00 N ATOM 984 CA GLU A 62 -0.597 13.004 1.560 1.00 0.00 C ATOM 985 C GLU A 62 -1.369 11.721 1.857 1.00 0.00 C ATOM 986 O GLU A 62 -1.697 11.430 3.011 1.00 0.00 O ATOM 987 CB GLU A 62 -1.504 14.003 0.840 1.00 0.00 C ATOM 988 CG GLU A 62 -2.720 14.425 1.641 1.00 0.00 C ATOM 989 CD GLU A 62 -3.552 15.450 0.908 1.00 0.00 C ATOM 990 OE1 GLU A 62 -3.156 16.631 0.884 1.00 0.00 O ATOM 991 OE2 GLU A 62 -4.600 15.082 0.340 1.00 0.00 O ATOM 0 H GLU A 62 0.571 13.186 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.268 13.425 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.922 14.890 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.837 13.563 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.332 13.550 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.399 14.836 2.598 1.00 0.00 H new ATOM 998 N GLU A 63 -1.638 10.953 0.813 1.00 0.00 N ATOM 999 CA GLU A 63 -2.410 9.723 0.936 1.00 0.00 C ATOM 1000 C GLU A 63 -1.669 8.707 1.799 1.00 0.00 C ATOM 1001 O GLU A 63 -2.274 7.996 2.603 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.686 9.149 -0.452 1.00 0.00 C ATOM 1003 CG GLU A 63 -3.353 10.146 -1.385 1.00 0.00 C ATOM 1004 CD GLU A 63 -3.441 9.649 -2.811 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -2.380 9.419 -3.437 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -4.565 9.499 -3.322 1.00 0.00 O ATOM 0 H GLU A 63 -1.331 11.161 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.359 9.948 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.747 8.817 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.322 8.269 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.356 10.364 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.796 11.083 -1.366 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.354 8.669 1.642 1.00 0.00 N ATOM 1014 CA PHE A 64 0.482 7.752 2.396 1.00 0.00 C ATOM 1015 C PHE A 64 0.486 8.132 3.875 1.00 0.00 C ATOM 1016 O PHE A 64 0.343 7.273 4.746 1.00 0.00 O ATOM 1017 CB PHE A 64 1.902 7.775 1.838 1.00 0.00 C ATOM 1018 CG PHE A 64 2.727 6.579 2.214 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.695 5.435 1.435 1.00 0.00 C ATOM 1020 CD2 PHE A 64 3.540 6.600 3.335 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.459 4.334 1.764 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.308 5.503 3.668 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.266 4.369 2.884 1.00 0.00 C ATOM 0 H PHE A 64 0.158 9.268 0.994 1.00 0.00 H new ATOM 0 HA PHE A 64 0.079 6.743 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.853 7.842 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.405 8.675 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.064 5.404 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.573 7.484 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.426 3.448 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.942 5.532 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.864 3.509 3.146 1.00 0.00 H new ATOM 1033 N GLN A 65 0.633 9.425 4.147 1.00 0.00 N ATOM 1034 CA GLN A 65 0.616 9.934 5.516 1.00 0.00 C ATOM 1035 C GLN A 65 -0.711 9.596 6.190 1.00 0.00 C ATOM 1036 O GLN A 65 -0.757 9.271 7.379 1.00 0.00 O ATOM 1037 CB GLN A 65 0.824 11.453 5.516 1.00 0.00 C ATOM 1038 CG GLN A 65 0.996 12.054 6.904 1.00 0.00 C ATOM 1039 CD GLN A 65 2.337 11.714 7.523 1.00 0.00 C ATOM 1040 OE1 GLN A 65 3.337 11.556 6.823 1.00 0.00 O ATOM 1041 NE2 GLN A 65 2.372 11.606 8.841 1.00 0.00 N ATOM 0 H GLN A 65 0.766 10.143 3.435 1.00 0.00 H new ATOM 0 HA GLN A 65 1.426 9.462 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.704 11.689 4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.029 11.926 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.892 13.137 6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.198 11.694 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.521 11.744 9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.250 11.385 9.311 1.00 0.00 H new ATOM 1050 N THR A 66 -1.782 9.672 5.407 1.00 0.00 N ATOM 1051 CA THR A 66 -3.124 9.383 5.892 1.00 0.00 C ATOM 1052 C THR A 66 -3.226 7.959 6.445 1.00 0.00 C ATOM 1053 O THR A 66 -3.638 7.755 7.594 1.00 0.00 O ATOM 1054 CB THR A 66 -4.159 9.575 4.764 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.106 10.921 4.280 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.567 9.262 5.246 1.00 0.00 C ATOM 0 H THR A 66 -1.743 9.935 4.422 1.00 0.00 H new ATOM 0 HA THR A 66 -3.336 10.082 6.701 1.00 0.00 H new ATOM 0 HB THR A 66 -3.912 8.883 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.252 11.071 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.272 9.407 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.614 8.228 5.586 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.826 9.927 6.070 1.00 0.00 H new ATOM 1064 N MET A 67 -2.821 6.978 5.640 1.00 0.00 N ATOM 1065 CA MET A 67 -2.955 5.578 6.029 1.00 0.00 C ATOM 1066 C MET A 67 -2.086 5.261 7.250 1.00 0.00 C ATOM 1067 O MET A 67 -2.508 4.524 8.138 1.00 0.00 O ATOM 1068 CB MET A 67 -2.599 4.636 4.865 1.00 0.00 C ATOM 1069 CG MET A 67 -1.107 4.480 4.628 1.00 0.00 C ATOM 1070 SD MET A 67 -0.714 3.151 3.478 1.00 0.00 S ATOM 1071 CE MET A 67 1.046 2.985 3.759 1.00 0.00 C ATOM 0 H MET A 67 -2.401 7.126 4.722 1.00 0.00 H new ATOM 0 HA MET A 67 -3.999 5.413 6.294 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.029 3.654 5.062 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.064 5.011 3.953 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.706 5.417 4.243 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.611 4.288 5.580 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.504 2.480 2.909 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.490 3.973 3.877 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.217 2.401 4.663 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.891 5.848 7.303 1.00 0.00 N ATOM 1082 CA VAL A 68 0.054 5.572 8.381 1.00 0.00 C ATOM 1083 C VAL A 68 -0.521 5.977 9.732 1.00 0.00 C ATOM 1084 O VAL A 68 -0.400 5.241 10.709 1.00 0.00 O ATOM 1085 CB VAL A 68 1.400 6.286 8.144 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.317 6.147 9.354 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.068 5.722 6.901 1.00 0.00 C ATOM 0 H VAL A 68 -0.555 6.518 6.611 1.00 0.00 H new ATOM 0 HA VAL A 68 0.232 4.497 8.387 1.00 0.00 H new ATOM 0 HB VAL A 68 1.207 7.348 7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.258 6.660 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.837 6.590 10.227 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.512 5.091 9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.019 6.229 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.244 4.655 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.421 5.877 6.038 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.163 7.137 9.777 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.792 7.615 11.004 1.00 0.00 C ATOM 1099 C ASP A 69 -2.870 6.635 11.467 1.00 0.00 C ATOM 1100 O ASP A 69 -2.890 6.209 12.628 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.408 9.002 10.781 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.166 9.514 11.994 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -2.543 10.162 12.864 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -4.393 9.284 12.073 1.00 0.00 O ATOM 0 H ASP A 69 -1.263 7.765 8.979 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.027 7.688 11.777 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.618 9.709 10.528 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.084 8.961 9.927 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.742 6.258 10.539 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.855 5.369 10.850 1.00 0.00 C ATOM 1111 C ALA A 70 -4.370 3.982 11.264 1.00 0.00 C ATOM 1112 O ALA A 70 -4.846 3.418 12.250 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.794 5.268 9.659 1.00 0.00 C ATOM 0 H ALA A 70 -3.700 6.555 9.564 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.395 5.795 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.621 4.601 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.184 6.257 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.251 4.873 8.800 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.412 3.441 10.517 1.00 0.00 N ATOM 1120 CA PHE A 71 -2.886 2.109 10.802 1.00 0.00 C ATOM 1121 C PHE A 71 -2.028 2.110 12.062 1.00 0.00 C ATOM 1122 O PHE A 71 -1.879 1.083 12.720 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.091 1.565 9.610 1.00 0.00 C ATOM 1124 CG PHE A 71 -2.942 1.260 8.410 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.198 0.687 8.553 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.479 1.539 7.136 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -4.973 0.399 7.447 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.251 1.253 6.027 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.499 0.685 6.184 1.00 0.00 C ATOM 0 H PHE A 71 -2.985 3.902 9.713 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.737 1.451 10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.329 2.292 9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.569 0.658 9.915 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.574 0.464 9.541 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.504 1.985 7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.948 -0.049 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.878 1.474 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.105 0.464 5.317 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.466 3.258 12.408 1.00 0.00 N ATOM 1140 CA LYS A 72 -0.717 3.377 13.646 1.00 0.00 C ATOM 1141 C LYS A 72 -1.657 3.295 14.841 1.00 0.00 C ATOM 1142 O LYS A 72 -1.303 2.748 15.886 1.00 0.00 O ATOM 1143 CB LYS A 72 0.083 4.684 13.694 1.00 0.00 C ATOM 1144 CG LYS A 72 0.817 4.882 15.013 1.00 0.00 C ATOM 1145 CD LYS A 72 1.767 6.067 14.972 1.00 0.00 C ATOM 1146 CE LYS A 72 2.562 6.175 16.264 1.00 0.00 C ATOM 1147 NZ LYS A 72 3.616 7.218 16.185 1.00 0.00 N ATOM 0 H LYS A 72 -1.514 4.113 11.853 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.010 2.548 13.688 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.805 4.692 12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.593 5.524 13.530 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.090 5.029 15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.377 3.978 15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.450 5.961 14.129 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.202 6.985 14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.886 6.405 17.087 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.021 5.212 16.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.177 7.212 17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.237 7.023 15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.173 8.151 16.065 1.00 0.00 H new ATOM 1161 N GLY A 73 -2.864 3.811 14.666 1.00 0.00 N ATOM 1162 CA GLY A 73 -3.814 3.861 15.758 1.00 0.00 C ATOM 1163 C GLY A 73 -4.613 2.580 15.939 1.00 0.00 C ATOM 1164 O GLY A 73 -5.386 2.466 16.894 1.00 0.00 O ATOM 0 H GLY A 73 -3.203 4.197 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.279 4.077 16.683 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.504 4.687 15.588 1.00 0.00 H new ATOM 1168 N ASN A 74 -4.440 1.612 15.042 1.00 0.00 N ATOM 1169 CA ASN A 74 -5.221 0.378 15.110 1.00 0.00 C ATOM 1170 C ASN A 74 -4.482 -0.776 14.419 1.00 0.00 C ATOM 1171 O ASN A 74 -3.264 -0.725 14.253 1.00 0.00 O ATOM 1172 CB ASN A 74 -6.600 0.598 14.464 1.00 0.00 C ATOM 1173 CG ASN A 74 -7.659 -0.354 14.998 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -7.837 -1.459 14.484 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -8.364 0.068 16.034 1.00 0.00 N ATOM 0 H ASN A 74 -3.776 1.655 14.269 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.358 0.109 16.158 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.919 1.625 14.640 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.515 0.471 13.385 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.086 -0.529 16.437 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.185 0.991 16.431 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.232 -1.830 14.073 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.737 -3.004 13.337 1.00 0.00 C ATOM 1184 C LEU A 75 -3.816 -3.892 14.176 1.00 0.00 C ATOM 1185 O LEU A 75 -3.807 -5.108 14.006 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.025 -2.603 12.044 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.630 -3.783 11.154 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.860 -4.434 10.543 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -2.665 -3.341 10.075 1.00 0.00 C ATOM 0 H LEU A 75 -6.224 -1.893 14.302 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.625 -3.586 13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.674 -1.936 11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.129 -2.037 12.297 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.128 -4.524 11.776 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.555 -5.270 9.914 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.512 -4.797 11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.396 -3.703 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.397 -4.196 9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.136 -2.576 9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.766 -2.932 10.536 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.064 -3.292 15.090 1.00 0.00 N ATOM 1202 CA GLU A 76 -2.076 -4.022 15.884 1.00 0.00 C ATOM 1203 C GLU A 76 -2.725 -4.925 16.937 1.00 0.00 C ATOM 1204 O GLU A 76 -2.036 -5.485 17.787 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.113 -3.045 16.562 1.00 0.00 C ATOM 1206 CG GLU A 76 -1.811 -1.975 17.387 1.00 0.00 C ATOM 1207 CD GLU A 76 -0.864 -1.252 18.319 1.00 0.00 C ATOM 1208 OE1 GLU A 76 -0.085 -0.399 17.842 1.00 0.00 O ATOM 1209 OE2 GLU A 76 -0.893 -1.543 19.533 1.00 0.00 O ATOM 0 H GLU A 76 -3.118 -2.296 15.303 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.526 -4.664 15.196 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.435 -3.605 17.207 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.502 -2.563 15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.279 -1.253 16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.610 -2.434 17.970 1.00 0.00 H new ATOM 1451 N THR B 8 -15.090 -14.691 -7.714 1.00 0.00 N ATOM 1452 CA THR B 8 -16.009 -13.619 -7.389 1.00 0.00 C ATOM 1453 C THR B 8 -15.397 -12.706 -6.334 1.00 0.00 C ATOM 1454 O THR B 8 -15.030 -13.158 -5.250 1.00 0.00 O ATOM 1455 CB THR B 8 -17.354 -14.176 -6.879 1.00 0.00 C ATOM 1456 OG1 THR B 8 -17.129 -15.177 -5.871 1.00 0.00 O ATOM 1457 CG2 THR B 8 -18.162 -14.772 -8.023 1.00 0.00 C ATOM 0 HA THR B 8 -16.196 -13.048 -8.298 1.00 0.00 H new ATOM 0 HB THR B 8 -17.919 -13.351 -6.446 1.00 0.00 H new ATOM 0 HG1 THR B 8 -16.339 -15.706 -6.106 1.00 0.00 H new ATOM 0 HG21 THR B 8 -19.106 -15.158 -7.639 1.00 0.00 H new ATOM 0 HG22 THR B 8 -18.361 -14.001 -8.768 1.00 0.00 H new ATOM 0 HG23 THR B 8 -17.598 -15.584 -8.483 1.00 0.00 H new ATOM 1465 N PHE B 9 -15.266 -11.432 -6.666 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.664 -10.469 -5.760 1.00 0.00 C ATOM 1467 C PHE B 9 -15.712 -9.492 -5.236 1.00 0.00 C ATOM 1468 O PHE B 9 -16.586 -9.043 -5.983 1.00 0.00 O ATOM 1469 CB PHE B 9 -13.520 -9.713 -6.451 1.00 0.00 C ATOM 1470 CG PHE B 9 -13.928 -8.935 -7.675 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -14.045 -9.563 -8.905 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -14.191 -7.575 -7.594 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -14.417 -8.850 -10.029 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -14.562 -6.859 -8.715 1.00 0.00 C ATOM 1475 CZ PHE B 9 -14.677 -7.496 -9.933 1.00 0.00 C ATOM 0 H PHE B 9 -15.569 -11.041 -7.558 1.00 0.00 H new ATOM 0 HA PHE B 9 -14.250 -11.015 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -13.071 -9.026 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.748 -10.429 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -13.843 -10.621 -8.986 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -14.105 -7.070 -6.643 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -14.504 -9.351 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -14.762 -5.800 -8.638 1.00 0.00 H new ATOM 0 HZ PHE B 9 -14.970 -6.938 -10.810 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.628 -9.182 -3.951 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.549 -8.244 -3.327 1.00 0.00 C ATOM 1487 C GLU B 10 -15.873 -7.516 -2.174 1.00 0.00 C ATOM 1488 O GLU B 10 -14.985 -8.068 -1.518 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.798 -8.973 -2.826 1.00 0.00 C ATOM 1490 CG GLU B 10 -19.072 -8.546 -3.532 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.380 -7.077 -3.329 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -18.866 -6.242 -4.102 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -20.140 -6.747 -2.394 1.00 0.00 O ATOM 0 H GLU B 10 -14.928 -9.568 -3.318 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.847 -7.510 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.661 -10.046 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.908 -8.796 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -18.979 -8.751 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -19.906 -9.144 -3.164 1.00 0.00 H new ATOM 1500 N ILE B 11 -16.290 -6.277 -1.936 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.733 -5.478 -0.852 1.00 0.00 C ATOM 1502 C ILE B 11 -16.334 -5.907 0.483 1.00 0.00 C ATOM 1503 O ILE B 11 -17.502 -5.629 0.771 1.00 0.00 O ATOM 1504 CB ILE B 11 -15.980 -3.969 -1.075 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -15.370 -3.529 -2.410 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.402 -3.154 0.077 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -15.631 -2.078 -2.754 1.00 0.00 C ATOM 0 H ILE B 11 -17.012 -5.805 -2.480 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.656 -5.647 -0.837 1.00 0.00 H new ATOM 0 HB ILE B 11 -17.055 -3.791 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -14.293 -3.697 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -15.769 -4.158 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -15.586 -2.094 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.878 -3.455 1.010 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.328 -3.329 0.144 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -15.168 -1.842 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -16.706 -1.907 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -15.208 -1.439 -1.979 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.533 -6.595 1.281 1.00 0.00 N ATOM 1520 CA GLU B 12 -15.976 -7.128 2.559 1.00 0.00 C ATOM 1521 C GLU B 12 -16.065 -6.023 3.606 1.00 0.00 C ATOM 1522 O GLU B 12 -17.136 -5.747 4.151 1.00 0.00 O ATOM 1523 CB GLU B 12 -14.991 -8.203 3.019 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.634 -9.531 3.363 1.00 0.00 C ATOM 1525 CD GLU B 12 -16.444 -9.481 4.643 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -15.854 -9.639 5.734 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -17.677 -9.292 4.566 1.00 0.00 O ATOM 0 H GLU B 12 -14.558 -6.799 1.061 1.00 0.00 H new ATOM 0 HA GLU B 12 -16.969 -7.561 2.438 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.253 -8.363 2.233 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -14.453 -7.836 3.893 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -16.281 -9.839 2.542 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -14.858 -10.290 3.460 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.936 -5.383 3.866 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.848 -4.382 4.919 1.00 0.00 C ATOM 1536 C GLU B 13 -14.093 -3.155 4.426 1.00 0.00 C ATOM 1537 O GLU B 13 -13.013 -3.272 3.842 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.153 -4.981 6.144 1.00 0.00 C ATOM 1539 CG GLU B 13 -13.993 -4.018 7.310 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.289 -4.659 8.485 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -12.134 -5.106 8.314 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -13.892 -4.750 9.575 1.00 0.00 O ATOM 0 H GLU B 13 -14.064 -5.539 3.360 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.855 -4.073 5.198 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.721 -5.848 6.481 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.168 -5.340 5.848 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.429 -3.144 6.983 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -14.975 -3.665 7.625 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.669 -1.984 4.658 1.00 0.00 N ATOM 1550 CA HIS B 14 -14.073 -0.728 4.226 1.00 0.00 C ATOM 1551 C HIS B 14 -13.114 -0.221 5.300 1.00 0.00 C ATOM 1552 O HIS B 14 -13.527 0.054 6.427 1.00 0.00 O ATOM 1553 CB HIS B 14 -15.178 0.301 3.969 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.878 1.273 2.871 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -14.873 2.639 3.048 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -14.609 1.066 1.564 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -14.615 3.227 1.893 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -14.449 2.294 0.976 1.00 0.00 N ATOM 0 H HIS B 14 -15.557 -1.878 5.148 1.00 0.00 H new ATOM 0 HA HIS B 14 -13.515 -0.885 3.303 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -16.100 -0.228 3.727 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -15.361 0.856 4.889 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -14.534 0.108 1.072 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -14.551 4.292 1.728 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -14.237 2.459 -0.008 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.837 -0.116 4.961 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.831 0.302 5.931 1.00 0.00 C ATOM 1569 C LEU B 15 -10.585 1.805 5.854 1.00 0.00 C ATOM 1570 O LEU B 15 -10.999 2.555 6.737 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.516 -0.446 5.701 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.576 -1.963 5.886 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -8.320 -2.610 5.332 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.735 -2.312 7.356 1.00 0.00 C ATOM 0 H LEU B 15 -11.473 -0.313 4.029 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.211 0.061 6.924 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.171 -0.235 4.689 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.767 -0.044 6.383 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.440 -2.343 5.340 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.376 -3.690 5.470 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.233 -2.384 4.269 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.448 -2.221 5.858 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.776 -3.395 7.470 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.887 -1.920 7.917 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.657 -1.872 7.737 1.00 0.00 H new ATOM 1586 N LEU B 16 -9.930 2.237 4.784 1.00 0.00 N ATOM 1587 CA LEU B 16 -9.533 3.631 4.635 1.00 0.00 C ATOM 1588 C LEU B 16 -9.894 4.164 3.263 1.00 0.00 C ATOM 1589 O LEU B 16 -9.712 3.483 2.257 1.00 0.00 O ATOM 1590 CB LEU B 16 -8.023 3.787 4.836 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.506 3.464 6.232 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -6.016 3.737 6.311 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -8.248 4.281 7.270 1.00 0.00 C ATOM 0 H LEU B 16 -9.661 1.639 4.003 1.00 0.00 H new ATOM 0 HA LEU B 16 -10.070 4.200 5.394 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.511 3.143 4.121 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -7.747 4.813 4.595 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.680 2.407 6.435 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -5.656 3.503 7.313 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -5.493 3.116 5.583 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -5.827 4.788 6.094 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -7.868 4.040 8.263 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -8.099 5.342 7.072 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -9.312 4.049 7.223 1.00 0.00 H new ATOM 1605 N THR B 17 -10.401 5.380 3.230 1.00 0.00 N ATOM 1606 CA THR B 17 -10.611 6.080 1.982 1.00 0.00 C ATOM 1607 C THR B 17 -9.549 7.166 1.846 1.00 0.00 C ATOM 1608 O THR B 17 -9.642 8.218 2.479 1.00 0.00 O ATOM 1609 CB THR B 17 -12.015 6.710 1.916 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.997 5.746 2.318 1.00 0.00 O ATOM 1611 CG2 THR B 17 -12.327 7.194 0.505 1.00 0.00 C ATOM 0 H THR B 17 -10.676 5.905 4.060 1.00 0.00 H new ATOM 0 HA THR B 17 -10.533 5.366 1.162 1.00 0.00 H new ATOM 0 HB THR B 17 -12.039 7.566 2.591 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.889 6.150 2.276 1.00 0.00 H new ATOM 0 HG21 THR B 17 -13.324 7.635 0.484 1.00 0.00 H new ATOM 0 HG22 THR B 17 -11.593 7.942 0.206 1.00 0.00 H new ATOM 0 HG23 THR B 17 -12.288 6.352 -0.186 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.520 6.891 1.056 1.00 0.00 N ATOM 1620 CA LEU B 18 -7.383 7.793 0.948 1.00 0.00 C ATOM 1621 C LEU B 18 -7.771 9.084 0.238 1.00 0.00 C ATOM 1622 O LEU B 18 -7.803 10.153 0.852 1.00 0.00 O ATOM 1623 CB LEU B 18 -6.225 7.115 0.212 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.683 5.846 0.877 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.532 5.276 0.066 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -5.240 6.136 2.304 1.00 0.00 C ATOM 0 H LEU B 18 -8.450 6.051 0.481 1.00 0.00 H new ATOM 0 HA LEU B 18 -7.060 8.042 1.959 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.553 6.865 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -5.409 7.831 0.114 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.482 5.106 0.912 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.157 4.375 0.551 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.880 5.031 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.732 6.013 0.002 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.858 5.222 2.759 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.455 6.892 2.295 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -6.089 6.502 2.881 1.00 0.00 H new ATOM 1638 N SER B 19 -8.076 8.982 -1.047 1.00 0.00 N ATOM 1639 CA SER B 19 -8.418 10.149 -1.842 1.00 0.00 C ATOM 1640 C SER B 19 -8.910 9.718 -3.219 1.00 0.00 C ATOM 1641 O SER B 19 -8.602 8.615 -3.676 1.00 0.00 O ATOM 1642 CB SER B 19 -7.191 11.063 -1.978 1.00 0.00 C ATOM 1643 OG SER B 19 -7.537 12.341 -2.486 1.00 0.00 O ATOM 0 H SER B 19 -8.093 8.101 -1.561 1.00 0.00 H new ATOM 0 HA SER B 19 -9.216 10.699 -1.343 1.00 0.00 H new ATOM 0 HB2 SER B 19 -6.713 11.176 -1.005 1.00 0.00 H new ATOM 0 HB3 SER B 19 -6.461 10.595 -2.639 1.00 0.00 H new ATOM 0 HG SER B 19 -6.731 12.894 -2.557 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.700 10.567 -3.858 1.00 0.00 N ATOM 1650 CA GLU B 20 -10.109 10.330 -5.230 1.00 0.00 C ATOM 1651 C GLU B 20 -9.357 11.288 -6.141 1.00 0.00 C ATOM 1652 O GLU B 20 -9.450 12.508 -5.992 1.00 0.00 O ATOM 1653 CB GLU B 20 -11.622 10.493 -5.388 1.00 0.00 C ATOM 1654 CG GLU B 20 -12.133 10.054 -6.751 1.00 0.00 C ATOM 1655 CD GLU B 20 -13.639 9.943 -6.797 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -14.178 8.942 -6.283 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -14.293 10.850 -7.346 1.00 0.00 O ATOM 0 H GLU B 20 -10.069 11.425 -3.448 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.867 9.304 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.126 9.914 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.887 11.538 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -11.801 10.766 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -11.693 9.090 -7.007 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.604 10.731 -7.070 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.650 11.506 -7.846 1.00 0.00 C ATOM 1666 C ASN B 21 -8.034 11.546 -9.317 1.00 0.00 C ATOM 1667 O ASN B 21 -8.957 10.852 -9.758 1.00 0.00 O ATOM 1668 CB ASN B 21 -6.245 10.901 -7.718 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.959 10.341 -6.339 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -6.240 9.174 -6.065 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -5.392 11.157 -5.463 1.00 0.00 N ATOM 0 H ASN B 21 -8.634 9.740 -7.308 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.657 12.522 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.130 10.107 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.505 11.665 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.173 10.825 -4.524 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.174 12.118 -5.728 1.00 0.00 H new ATOM 1678 N GLU B 22 -7.298 12.368 -10.059 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.405 12.465 -11.509 1.00 0.00 C ATOM 1680 C GLU B 22 -8.845 12.707 -11.958 1.00 0.00 C ATOM 1681 O GLU B 22 -9.404 13.779 -11.718 1.00 0.00 O ATOM 1682 CB GLU B 22 -6.822 11.211 -12.173 1.00 0.00 C ATOM 1683 CG GLU B 22 -5.406 10.888 -11.723 1.00 0.00 C ATOM 1684 CD GLU B 22 -4.480 12.084 -11.794 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -4.039 12.438 -12.907 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -4.184 12.674 -10.733 1.00 0.00 O ATOM 0 H GLU B 22 -6.599 12.996 -9.662 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.822 13.329 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.467 10.360 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -6.829 11.346 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.431 10.514 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.006 10.087 -12.345 1.00 0.00 H new ATOM 1693 N LYS B 23 -9.446 11.713 -12.600 1.00 0.00 N ATOM 1694 CA LYS B 23 -10.812 11.830 -13.079 1.00 0.00 C ATOM 1695 C LYS B 23 -11.593 10.566 -12.749 1.00 0.00 C ATOM 1696 O LYS B 23 -11.605 9.612 -13.527 1.00 0.00 O ATOM 1697 CB LYS B 23 -10.838 12.083 -14.592 1.00 0.00 C ATOM 1698 CG LYS B 23 -10.113 13.352 -15.010 1.00 0.00 C ATOM 1699 CD LYS B 23 -10.189 13.572 -16.510 1.00 0.00 C ATOM 1700 CE LYS B 23 -9.477 14.854 -16.912 1.00 0.00 C ATOM 1701 NZ LYS B 23 -10.043 16.048 -16.227 1.00 0.00 N ATOM 0 H LYS B 23 -9.005 10.815 -12.800 1.00 0.00 H new ATOM 0 HA LYS B 23 -11.279 12.679 -12.579 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.386 11.232 -15.102 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -11.874 12.141 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -10.549 14.207 -14.494 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -9.069 13.293 -14.703 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.739 12.725 -17.028 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.233 13.619 -16.821 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.417 14.769 -16.674 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.552 14.986 -17.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -9.714 16.911 -16.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.082 16.008 -16.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -9.729 16.061 -15.236 1.00 0.00 H new ATOM 1715 N GLY B 24 -12.202 10.547 -11.574 1.00 0.00 N ATOM 1716 CA GLY B 24 -13.012 9.413 -11.174 1.00 0.00 C ATOM 1717 C GLY B 24 -12.187 8.262 -10.632 1.00 0.00 C ATOM 1718 O GLY B 24 -12.717 7.179 -10.377 1.00 0.00 O ATOM 0 H GLY B 24 -12.150 11.299 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -13.725 9.732 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -13.592 9.067 -12.030 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.894 8.495 -10.454 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.995 7.470 -9.943 1.00 0.00 C ATOM 1724 C TRP B 25 -10.023 7.454 -8.427 1.00 0.00 C ATOM 1725 O TRP B 25 -9.353 8.258 -7.786 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.561 7.725 -10.413 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.284 7.306 -11.821 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -8.955 7.684 -12.949 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -7.232 6.436 -12.248 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -8.388 7.092 -14.052 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -7.326 6.321 -13.645 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -6.220 5.738 -11.579 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -6.444 5.537 -14.385 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -5.346 4.963 -12.317 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -5.463 4.869 -13.708 1.00 0.00 C ATOM 0 H TRP B 25 -10.443 9.387 -10.657 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.332 6.507 -10.326 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -8.344 8.789 -10.315 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.876 7.198 -9.749 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.805 8.350 -12.971 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -8.704 7.206 -15.015 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -6.124 5.804 -10.505 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -6.533 5.460 -15.459 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -4.560 4.421 -11.812 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -4.764 4.256 -14.258 1.00 0.00 H new ATOM 1746 N THR B 26 -10.790 6.557 -7.843 1.00 0.00 N ATOM 1747 CA THR B 26 -10.841 6.494 -6.395 1.00 0.00 C ATOM 1748 C THR B 26 -9.727 5.588 -5.900 1.00 0.00 C ATOM 1749 O THR B 26 -9.502 4.528 -6.463 1.00 0.00 O ATOM 1750 CB THR B 26 -12.193 5.953 -5.894 1.00 0.00 C ATOM 1751 OG1 THR B 26 -13.265 6.478 -6.689 1.00 0.00 O ATOM 1752 CG2 THR B 26 -12.415 6.328 -4.437 1.00 0.00 C ATOM 0 H THR B 26 -11.373 5.877 -8.332 1.00 0.00 H new ATOM 0 HA THR B 26 -10.719 7.505 -6.007 1.00 0.00 H new ATOM 0 HB THR B 26 -12.176 4.867 -5.982 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.522 7.361 -6.350 1.00 0.00 H new ATOM 0 HG21 THR B 26 -13.376 5.936 -4.103 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.618 5.904 -3.827 1.00 0.00 H new ATOM 0 HG23 THR B 26 -12.411 7.413 -4.336 1.00 0.00 H new ATOM 1760 N LYS B 27 -9.028 5.983 -4.854 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.979 5.139 -4.317 1.00 0.00 C ATOM 1762 C LYS B 27 -8.158 4.980 -2.822 1.00 0.00 C ATOM 1763 O LYS B 27 -8.167 5.961 -2.076 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.595 5.700 -4.649 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.460 4.762 -4.269 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.132 5.169 -4.898 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.641 6.515 -4.389 1.00 0.00 C ATOM 1768 NZ LYS B 27 -4.223 7.656 -5.144 1.00 0.00 N ATOM 0 H LYS B 27 -9.164 6.868 -4.366 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.052 4.156 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.542 5.909 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.461 6.650 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.355 4.745 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.711 3.748 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.383 4.407 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.244 5.211 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -3.894 6.615 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -2.554 6.553 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -3.460 8.196 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.874 7.296 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.743 8.276 -4.490 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.313 3.743 -2.393 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.605 3.462 -1.006 1.00 0.00 C ATOM 1784 C GLU B 28 -7.997 2.136 -0.575 1.00 0.00 C ATOM 1785 O GLU B 28 -7.287 1.475 -1.344 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.114 3.427 -0.784 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.828 2.406 -1.651 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.148 1.986 -1.058 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -13.163 2.661 -1.315 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.171 0.989 -0.313 1.00 0.00 O ATOM 0 H GLU B 28 -8.241 2.917 -2.988 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.165 4.257 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.314 3.206 0.264 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.526 4.416 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.994 2.826 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.192 1.530 -1.777 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.296 1.766 0.661 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.815 0.535 1.256 1.00 0.00 C ATOM 1799 C ILE B 29 -8.982 -0.211 1.894 1.00 0.00 C ATOM 1800 O ILE B 29 -9.634 0.312 2.797 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.752 0.822 2.343 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.608 1.659 1.763 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -6.218 -0.484 2.919 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.598 2.113 2.793 1.00 0.00 C ATOM 0 H ILE B 29 -8.885 2.320 1.283 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.361 -0.069 0.470 1.00 0.00 H new ATOM 0 HB ILE B 29 -7.221 1.389 3.147 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -5.095 1.075 0.998 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -6.027 2.535 1.268 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.471 -0.266 3.682 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -7.038 -1.048 3.364 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.762 -1.073 2.123 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.820 2.700 2.305 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -5.096 2.725 3.546 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -4.150 1.242 3.272 1.00 0.00 H new ATOM 1816 N ASN B 30 -9.259 -1.413 1.419 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.322 -2.226 1.996 1.00 0.00 C ATOM 1818 C ASN B 30 -9.966 -3.701 1.896 1.00 0.00 C ATOM 1819 O ASN B 30 -8.902 -4.053 1.389 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.672 -1.960 1.310 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.723 -2.443 -0.130 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -12.002 -3.611 -0.390 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -11.516 -1.540 -1.072 1.00 0.00 N ATOM 0 H ASN B 30 -8.767 -1.848 0.639 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.421 -1.950 3.046 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.463 -2.450 1.878 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.879 -0.890 1.334 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -11.586 -1.803 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -11.286 -0.580 -0.816 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.840 -4.558 2.402 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.624 -5.995 2.312 1.00 0.00 C ATOM 1832 C ARG B 31 -11.572 -6.614 1.296 1.00 0.00 C ATOM 1833 O ARG B 31 -12.789 -6.508 1.430 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.803 -6.670 3.674 1.00 0.00 C ATOM 1835 CG ARG B 31 -9.715 -6.320 4.676 1.00 0.00 C ATOM 1836 CD ARG B 31 -9.760 -7.233 5.893 1.00 0.00 C ATOM 1837 NE ARG B 31 -10.978 -7.058 6.681 1.00 0.00 N ATOM 1838 CZ ARG B 31 -11.836 -8.039 6.957 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.640 -9.261 6.473 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -12.888 -7.796 7.723 1.00 0.00 N ATOM 0 H ARG B 31 -11.701 -4.286 2.877 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.597 -6.156 1.984 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.771 -6.385 4.087 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.822 -7.751 3.534 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.739 -6.399 4.197 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.831 -5.284 4.993 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.688 -8.271 5.567 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.893 -7.036 6.523 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.184 -6.127 7.042 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.828 -9.453 5.886 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.301 -10.007 6.689 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.039 -6.860 8.100 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.547 -8.545 7.937 1.00 0.00 H new ATOM 1854 N VAL B 32 -11.009 -7.257 0.283 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.805 -7.884 -0.762 1.00 0.00 C ATOM 1856 C VAL B 32 -11.792 -9.400 -0.600 1.00 0.00 C ATOM 1857 O VAL B 32 -10.735 -10.005 -0.392 1.00 0.00 O ATOM 1858 CB VAL B 32 -11.287 -7.515 -2.172 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -12.191 -8.093 -3.253 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -11.170 -6.008 -2.328 1.00 0.00 C ATOM 0 H VAL B 32 -10.001 -7.358 0.163 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.825 -7.512 -0.662 1.00 0.00 H new ATOM 0 HB VAL B 32 -10.295 -7.951 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.805 -7.819 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -12.217 -9.179 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -13.199 -7.695 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.804 -5.773 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -12.148 -5.550 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -10.474 -5.618 -1.586 1.00 0.00 H new ATOM 1870 N SER B 33 -12.968 -10.005 -0.672 1.00 0.00 N ATOM 1871 CA SER B 33 -13.094 -11.449 -0.573 1.00 0.00 C ATOM 1872 C SER B 33 -13.176 -12.074 -1.962 1.00 0.00 C ATOM 1873 O SER B 33 -13.906 -11.587 -2.826 1.00 0.00 O ATOM 1874 CB SER B 33 -14.334 -11.804 0.250 1.00 0.00 C ATOM 1875 OG SER B 33 -15.461 -11.062 -0.186 1.00 0.00 O ATOM 0 H SER B 33 -13.853 -9.514 -0.799 1.00 0.00 H new ATOM 0 HA SER B 33 -12.212 -11.849 -0.073 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.540 -12.871 0.163 1.00 0.00 H new ATOM 0 HB3 SER B 33 -14.146 -11.601 1.304 1.00 0.00 H new ATOM 0 HG SER B 33 -16.242 -11.306 0.353 1.00 0.00 H new ATOM 1881 N PHE B 34 -12.412 -13.142 -2.170 1.00 0.00 N ATOM 1882 CA PHE B 34 -12.390 -13.841 -3.449 1.00 0.00 C ATOM 1883 C PHE B 34 -12.812 -15.296 -3.265 1.00 0.00 C ATOM 1884 O PHE B 34 -11.996 -16.127 -2.868 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.984 -13.802 -4.064 1.00 0.00 C ATOM 1886 CG PHE B 34 -10.424 -12.420 -4.263 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -10.654 -11.726 -5.440 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -9.658 -11.820 -3.275 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -10.132 -10.460 -5.627 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -9.135 -10.555 -3.456 1.00 0.00 C ATOM 1891 CZ PHE B 34 -9.372 -9.874 -4.633 1.00 0.00 C ATOM 0 H PHE B 34 -11.796 -13.544 -1.463 1.00 0.00 H new ATOM 0 HA PHE B 34 -13.089 -13.339 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -10.306 -14.365 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -11.009 -14.311 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -11.248 -12.179 -6.220 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -9.468 -12.349 -2.353 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -10.318 -9.929 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -8.541 -10.099 -2.678 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.964 -8.884 -4.777 1.00 0.00 H new ATOM 1901 N ASN B 35 -14.084 -15.588 -3.546 1.00 0.00 N ATOM 1902 CA ASN B 35 -14.633 -16.945 -3.402 1.00 0.00 C ATOM 1903 C ASN B 35 -14.572 -17.425 -1.957 1.00 0.00 C ATOM 1904 O ASN B 35 -13.583 -18.020 -1.521 1.00 0.00 O ATOM 1905 CB ASN B 35 -13.908 -17.934 -4.321 1.00 0.00 C ATOM 1906 CG ASN B 35 -14.368 -17.829 -5.759 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -14.908 -16.808 -6.174 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -14.141 -18.874 -6.533 1.00 0.00 N ATOM 0 H ASN B 35 -14.760 -14.900 -3.877 1.00 0.00 H new ATOM 0 HA ASN B 35 -15.681 -16.900 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -12.834 -17.752 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -14.076 -18.949 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -14.417 -18.851 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -13.689 -19.704 -6.149 1.00 0.00 H new ATOM 1915 N GLY B 36 -15.638 -17.163 -1.219 1.00 0.00 N ATOM 1916 CA GLY B 36 -15.675 -17.504 0.187 1.00 0.00 C ATOM 1917 C GLY B 36 -15.434 -16.284 1.046 1.00 0.00 C ATOM 1918 O GLY B 36 -15.914 -15.196 0.727 1.00 0.00 O ATOM 0 H GLY B 36 -16.485 -16.717 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -16.642 -17.942 0.434 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -14.919 -18.260 0.402 1.00 0.00 H new ATOM 1922 N ALA B 37 -14.674 -16.442 2.121 1.00 0.00 N ATOM 1923 CA ALA B 37 -14.346 -15.307 2.978 1.00 0.00 C ATOM 1924 C ALA B 37 -12.833 -15.149 3.200 1.00 0.00 C ATOM 1925 O ALA B 37 -12.389 -15.005 4.338 1.00 0.00 O ATOM 1926 CB ALA B 37 -15.067 -15.440 4.313 1.00 0.00 C ATOM 0 H ALA B 37 -14.276 -17.333 2.419 1.00 0.00 H new ATOM 0 HA ALA B 37 -14.684 -14.406 2.465 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -14.818 -14.590 4.948 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -16.144 -15.463 4.144 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -14.756 -16.362 4.804 1.00 0.00 H new ATOM 1932 N PRO B 38 -12.008 -15.142 2.128 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.583 -14.887 2.231 1.00 0.00 C ATOM 1934 C PRO B 38 -10.277 -13.416 1.961 1.00 0.00 C ATOM 1935 O PRO B 38 -9.439 -13.082 1.117 1.00 0.00 O ATOM 1936 CB PRO B 38 -10.000 -15.779 1.127 1.00 0.00 C ATOM 1937 CG PRO B 38 -11.139 -16.089 0.197 1.00 0.00 C ATOM 1938 CD PRO B 38 -12.363 -15.385 0.729 1.00 0.00 C ATOM 0 HA PRO B 38 -10.173 -15.098 3.219 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -9.194 -15.269 0.599 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.579 -16.693 1.546 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.911 -15.751 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.308 -17.164 0.143 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -12.561 -14.456 0.194 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.257 -16.002 0.639 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.973 -12.544 2.683 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.883 -11.108 2.464 1.00 0.00 C ATOM 1948 C ALA B 39 -9.545 -10.553 2.929 1.00 0.00 C ATOM 1949 O ALA B 39 -9.306 -10.397 4.129 1.00 0.00 O ATOM 1950 CB ALA B 39 -12.026 -10.400 3.173 1.00 0.00 C ATOM 0 H ALA B 39 -11.611 -12.812 3.432 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.959 -10.927 1.392 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.950 -9.326 3.003 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.977 -10.763 2.782 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.972 -10.603 4.243 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.677 -10.256 1.973 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.362 -9.714 2.278 1.00 0.00 C ATOM 1958 C LYS B 40 -7.340 -8.212 2.046 1.00 0.00 C ATOM 1959 O LYS B 40 -8.291 -7.650 1.505 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.280 -10.400 1.441 1.00 0.00 C ATOM 1961 CG LYS B 40 -6.011 -11.837 1.862 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.569 -11.911 3.317 1.00 0.00 C ATOM 1963 CE LYS B 40 -5.334 -13.345 3.761 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.181 -13.968 3.057 1.00 0.00 N ATOM 0 H LYS B 40 -8.861 -10.382 0.978 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.151 -9.908 3.330 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.579 -10.386 0.393 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.355 -9.828 1.517 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.912 -12.434 1.722 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.240 -12.268 1.223 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.653 -11.335 3.449 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.328 -11.453 3.952 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -5.156 -13.366 4.836 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.233 -13.933 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -3.961 -14.885 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.422 -14.111 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -3.352 -13.343 3.128 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.255 -7.573 2.451 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.146 -6.124 2.383 1.00 0.00 C ATOM 1980 C PHE B 41 -5.708 -5.694 0.991 1.00 0.00 C ATOM 1981 O PHE B 41 -4.611 -6.027 0.546 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.152 -5.621 3.430 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.449 -6.101 4.823 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -4.911 -7.289 5.287 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -6.263 -5.365 5.666 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -5.179 -7.734 6.568 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -6.534 -5.803 6.947 1.00 0.00 C ATOM 1988 CZ PHE B 41 -5.991 -6.989 7.398 1.00 0.00 C ATOM 0 H PHE B 41 -5.432 -8.038 2.833 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.123 -5.689 2.591 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.149 -5.943 3.150 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.151 -4.531 3.423 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.274 -7.875 4.641 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -6.691 -4.437 5.318 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -4.754 -8.663 6.918 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -7.170 -5.218 7.595 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.202 -7.334 8.400 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.568 -4.963 0.309 1.00 0.00 N ATOM 1999 CA ASP B 42 -6.300 -4.556 -1.058 1.00 0.00 C ATOM 2000 C ASP B 42 -6.187 -3.039 -1.150 1.00 0.00 C ATOM 2001 O ASP B 42 -7.143 -2.315 -0.865 1.00 0.00 O ATOM 2002 CB ASP B 42 -7.410 -5.068 -1.980 1.00 0.00 C ATOM 2003 CG ASP B 42 -7.056 -4.940 -3.444 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -6.272 -5.782 -3.943 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -7.566 -4.012 -4.109 1.00 0.00 O ATOM 0 H ASP B 42 -7.461 -4.638 0.680 1.00 0.00 H new ATOM 0 HA ASP B 42 -5.351 -4.988 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -7.615 -6.114 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -8.327 -4.512 -1.782 1.00 0.00 H new ATOM 2010 N ILE B 43 -5.004 -2.564 -1.511 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.780 -1.139 -1.696 1.00 0.00 C ATOM 2012 C ILE B 43 -4.769 -0.836 -3.183 1.00 0.00 C ATOM 2013 O ILE B 43 -3.788 -1.115 -3.874 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.441 -0.682 -1.073 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.357 -1.128 0.390 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.292 0.832 -1.183 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -2.057 -0.750 1.070 1.00 0.00 C ATOM 0 H ILE B 43 -4.184 -3.146 -1.682 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.583 -0.598 -1.194 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.623 -1.147 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -4.187 -0.688 0.943 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.480 -2.210 0.438 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.344 1.137 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.313 1.124 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.113 1.318 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -2.072 -1.099 2.103 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -1.223 -1.212 0.542 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.940 0.334 1.055 1.00 0.00 H new ATOM 2029 N ARG B 44 -5.852 -0.267 -3.682 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.026 -0.155 -5.121 1.00 0.00 C ATOM 2031 C ARG B 44 -6.781 1.102 -5.518 1.00 0.00 C ATOM 2032 O ARG B 44 -7.621 1.611 -4.771 1.00 0.00 O ATOM 2033 CB ARG B 44 -6.754 -1.404 -5.647 1.00 0.00 C ATOM 2034 CG ARG B 44 -7.183 -1.318 -7.107 1.00 0.00 C ATOM 2035 CD ARG B 44 -7.782 -2.626 -7.600 1.00 0.00 C ATOM 2036 NE ARG B 44 -6.776 -3.519 -8.183 1.00 0.00 N ATOM 2037 CZ ARG B 44 -6.425 -4.690 -7.654 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -6.881 -5.045 -6.467 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -5.584 -5.489 -8.298 1.00 0.00 N ATOM 0 H ARG B 44 -6.613 0.119 -3.124 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.036 -0.083 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -6.101 -2.268 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -7.636 -1.581 -5.032 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -7.913 -0.517 -7.224 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -6.323 -1.058 -7.723 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.275 -3.132 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -8.549 -2.413 -8.344 1.00 0.00 H new ATOM 0 HE ARG B 44 -6.317 -3.226 -9.046 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -7.504 -4.422 -5.953 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.611 -5.942 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -5.204 -5.207 -9.202 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -5.318 -6.385 -7.889 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.440 1.610 -6.695 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.209 2.654 -7.334 1.00 0.00 C ATOM 2055 C ALA B 45 -8.254 2.011 -8.237 1.00 0.00 C ATOM 2056 O ALA B 45 -7.949 1.092 -9.000 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.303 3.579 -8.130 1.00 0.00 C ATOM 0 H ALA B 45 -5.624 1.307 -7.227 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.707 3.257 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.902 4.357 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.574 4.038 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.782 3.006 -8.897 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.477 2.481 -8.138 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.584 1.894 -8.859 1.00 0.00 C ATOM 2065 C TRP B 46 -11.006 2.807 -9.996 1.00 0.00 C ATOM 2066 O TRP B 46 -11.148 4.025 -9.817 1.00 0.00 O ATOM 2067 CB TRP B 46 -11.756 1.631 -7.910 1.00 0.00 C ATOM 2068 CG TRP B 46 -11.400 0.714 -6.775 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -10.933 1.076 -5.544 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -11.479 -0.718 -6.769 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -10.711 -0.042 -4.775 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -11.043 -1.155 -5.503 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -11.878 -1.672 -7.710 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -10.994 -2.505 -5.157 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -11.829 -3.010 -7.365 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -11.390 -3.416 -6.098 1.00 0.00 C ATOM 0 H TRP B 46 -9.732 3.279 -7.557 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.267 0.940 -9.281 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.109 2.580 -7.506 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -12.582 1.198 -8.474 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -10.763 2.093 -5.221 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -10.357 -0.043 -3.818 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -12.218 -1.369 -8.689 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -10.656 -2.820 -4.181 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -12.134 -3.755 -8.085 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -11.364 -4.469 -5.859 1.00 0.00 H new ATOM 2087 N SER B 47 -11.179 2.197 -11.159 1.00 0.00 N ATOM 2088 CA SER B 47 -11.512 2.903 -12.380 1.00 0.00 C ATOM 2089 C SER B 47 -12.858 3.606 -12.269 1.00 0.00 C ATOM 2090 O SER B 47 -13.753 3.150 -11.550 1.00 0.00 O ATOM 2091 CB SER B 47 -11.552 1.911 -13.538 1.00 0.00 C ATOM 2092 OG SER B 47 -10.398 1.089 -13.548 1.00 0.00 O ATOM 0 H SER B 47 -11.091 1.188 -11.279 1.00 0.00 H new ATOM 0 HA SER B 47 -10.749 3.661 -12.555 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.444 1.289 -13.457 1.00 0.00 H new ATOM 0 HB3 SER B 47 -11.625 2.452 -14.481 1.00 0.00 H new ATOM 0 HG SER B 47 -10.450 0.461 -14.299 1.00 0.00 H new ATOM 2202 N LYS B 55 -3.508 0.490 -10.508 1.00 0.00 N ATOM 2203 CA LYS B 55 -2.356 -0.394 -10.320 1.00 0.00 C ATOM 2204 C LYS B 55 -2.355 -1.006 -8.918 1.00 0.00 C ATOM 2205 O LYS B 55 -1.300 -1.344 -8.380 1.00 0.00 O ATOM 2206 CB LYS B 55 -1.070 0.410 -10.520 1.00 0.00 C ATOM 2207 CG LYS B 55 -1.010 1.163 -11.838 1.00 0.00 C ATOM 2208 CD LYS B 55 -0.628 0.260 -12.999 1.00 0.00 C ATOM 2209 CE LYS B 55 0.816 -0.208 -12.887 1.00 0.00 C ATOM 2210 NZ LYS B 55 1.297 -0.824 -14.151 1.00 0.00 N ATOM 0 HA LYS B 55 -2.416 -1.202 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -0.968 1.123 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -0.218 -0.267 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.980 1.619 -12.038 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.287 1.975 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.291 -0.605 -13.023 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.767 0.795 -13.939 1.00 0.00 H new ATOM 0 HE2 LYS B 55 1.453 0.638 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS B 55 0.902 -0.930 -12.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 2.284 -1.130 -14.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 0.705 -1.647 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 1.239 -0.127 -14.921 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.546 -1.169 -8.353 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.685 -1.599 -6.970 1.00 0.00 C ATOM 2226 C GLY B 56 -2.997 -2.913 -6.654 1.00 0.00 C ATOM 2227 O GLY B 56 -2.940 -3.816 -7.488 1.00 0.00 O ATOM 0 H GLY B 56 -4.431 -1.009 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.281 -0.824 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.745 -1.692 -6.735 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.505 -3.024 -5.428 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.751 -4.192 -5.004 1.00 0.00 C ATOM 2233 C ILE B 57 -2.403 -4.835 -3.774 1.00 0.00 C ATOM 2234 O ILE B 57 -2.892 -4.143 -2.878 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.277 -3.822 -4.704 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.569 -5.082 -4.501 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.186 -2.914 -3.482 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.053 -4.803 -4.385 1.00 0.00 C ATOM 0 H ILE B 57 -2.617 -2.313 -4.706 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.760 -4.914 -5.820 1.00 0.00 H new ATOM 0 HB ILE B 57 0.117 -3.280 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.232 -5.594 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.400 -5.762 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.858 -2.667 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.748 -1.998 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.603 -3.427 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.590 -5.741 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.404 -4.318 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.235 -4.148 -3.533 1.00 0.00 H new ATOM 2250 N THR B 58 -2.423 -6.159 -3.748 1.00 0.00 N ATOM 2251 CA THR B 58 -3.067 -6.896 -2.673 1.00 0.00 C ATOM 2252 C THR B 58 -2.035 -7.377 -1.650 1.00 0.00 C ATOM 2253 O THR B 58 -0.970 -7.890 -2.018 1.00 0.00 O ATOM 2254 CB THR B 58 -3.843 -8.102 -3.240 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.585 -7.692 -4.399 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.801 -8.677 -2.205 1.00 0.00 C ATOM 0 H THR B 58 -1.998 -6.748 -4.464 1.00 0.00 H new ATOM 0 HA THR B 58 -3.766 -6.225 -2.174 1.00 0.00 H new ATOM 0 HB THR B 58 -3.123 -8.875 -3.509 1.00 0.00 H new ATOM 0 HG1 THR B 58 -5.018 -6.831 -4.223 1.00 0.00 H new ATOM 0 HG21 THR B 58 -5.334 -9.526 -2.634 1.00 0.00 H new ATOM 0 HG22 THR B 58 -4.238 -9.006 -1.331 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.518 -7.912 -1.908 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.344 -7.198 -0.372 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.441 -7.584 0.703 1.00 0.00 C ATOM 2266 C LEU B 59 -2.134 -8.543 1.665 1.00 0.00 C ATOM 2267 O LEU B 59 -3.323 -8.397 1.953 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.976 -6.344 1.477 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.333 -5.239 0.636 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.010 -4.033 1.504 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.925 -5.749 -0.050 1.00 0.00 C ATOM 0 H LEU B 59 -3.220 -6.785 -0.054 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.578 -8.081 0.259 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.834 -5.923 2.002 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.261 -6.660 2.237 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.044 -4.936 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU B 59 0.447 -3.256 0.891 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -0.927 -3.650 1.951 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.683 -4.327 2.293 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.366 -4.948 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.641 -6.081 0.702 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.671 -6.585 -0.702 1.00 0.00 H new ATOM 2283 N SER B 60 -1.399 -9.530 2.150 1.00 0.00 N ATOM 2284 CA SER B 60 -1.921 -10.426 3.164 1.00 0.00 C ATOM 2285 C SER B 60 -1.749 -9.782 4.538 1.00 0.00 C ATOM 2286 O SER B 60 -1.019 -8.803 4.670 1.00 0.00 O ATOM 2287 CB SER B 60 -1.206 -11.779 3.105 1.00 0.00 C ATOM 2288 OG SER B 60 -1.874 -12.744 3.903 1.00 0.00 O ATOM 0 H SER B 60 -0.442 -9.729 1.858 1.00 0.00 H new ATOM 0 HA SER B 60 -2.981 -10.602 2.981 1.00 0.00 H new ATOM 0 HB2 SER B 60 -1.160 -12.125 2.072 1.00 0.00 H new ATOM 0 HB3 SER B 60 -0.178 -11.666 3.449 1.00 0.00 H new ATOM 0 HG SER B 60 -1.458 -12.780 4.790 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.410 -10.333 5.552 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.387 -9.753 6.897 1.00 0.00 C ATOM 2296 C ASN B 61 -0.959 -9.635 7.419 1.00 0.00 C ATOM 2297 O ASN B 61 -0.574 -8.607 7.977 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.225 -10.604 7.857 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.317 -10.002 9.251 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -3.319 -8.784 9.420 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -3.392 -10.857 10.259 1.00 0.00 N ATOM 0 H ASN B 61 -2.970 -11.182 5.471 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.815 -8.752 6.839 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -4.229 -10.721 7.450 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.791 -11.601 7.925 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -3.454 -10.512 11.217 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -3.388 -11.861 10.078 1.00 0.00 H new ATOM 2308 N GLU B 62 -0.178 -10.685 7.212 1.00 0.00 N ATOM 2309 CA GLU B 62 1.209 -10.722 7.652 1.00 0.00 C ATOM 2310 C GLU B 62 2.000 -9.567 7.039 1.00 0.00 C ATOM 2311 O GLU B 62 2.692 -8.825 7.740 1.00 0.00 O ATOM 2312 CB GLU B 62 1.856 -12.060 7.265 1.00 0.00 C ATOM 2313 CG GLU B 62 1.054 -13.289 7.684 1.00 0.00 C ATOM 2314 CD GLU B 62 0.080 -13.758 6.616 1.00 0.00 C ATOM 2315 OE1 GLU B 62 -0.894 -13.033 6.321 1.00 0.00 O ATOM 2316 OE2 GLU B 62 0.275 -14.866 6.074 1.00 0.00 O ATOM 0 H GLU B 62 -0.486 -11.533 6.736 1.00 0.00 H new ATOM 0 HA GLU B 62 1.225 -10.620 8.737 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.997 -12.083 6.184 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.847 -12.115 7.717 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.742 -14.101 7.922 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.502 -13.062 8.596 1.00 0.00 H new ATOM 2323 N GLU B 63 1.871 -9.413 5.727 1.00 0.00 N ATOM 2324 CA GLU B 63 2.587 -8.379 4.987 1.00 0.00 C ATOM 2325 C GLU B 63 2.069 -6.995 5.371 1.00 0.00 C ATOM 2326 O GLU B 63 2.842 -6.047 5.553 1.00 0.00 O ATOM 2327 CB GLU B 63 2.399 -8.612 3.486 1.00 0.00 C ATOM 2328 CG GLU B 63 2.624 -10.058 3.067 1.00 0.00 C ATOM 2329 CD GLU B 63 2.246 -10.311 1.624 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.105 -9.974 1.238 1.00 0.00 O ATOM 2331 OE2 GLU B 63 3.085 -10.830 0.862 1.00 0.00 O ATOM 0 H GLU B 63 1.270 -9.998 5.147 1.00 0.00 H new ATOM 0 HA GLU B 63 3.647 -8.430 5.234 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.390 -8.312 3.203 1.00 0.00 H new ATOM 0 HB3 GLU B 63 3.088 -7.971 2.937 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.673 -10.316 3.215 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.040 -10.714 3.712 1.00 0.00 H new ATOM 2338 N PHE B 64 0.753 -6.903 5.513 1.00 0.00 N ATOM 2339 CA PHE B 64 0.081 -5.655 5.845 1.00 0.00 C ATOM 2340 C PHE B 64 0.530 -5.153 7.216 1.00 0.00 C ATOM 2341 O PHE B 64 0.893 -3.989 7.371 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.434 -5.877 5.827 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.246 -4.626 5.677 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.282 -3.953 4.465 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.996 -4.138 6.732 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.048 -2.816 4.313 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.761 -2.999 6.586 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.789 -2.339 5.375 1.00 0.00 C ATOM 0 H PHE B 64 0.120 -7.695 5.401 1.00 0.00 H new ATOM 0 HA PHE B 64 0.344 -4.898 5.106 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.679 -6.554 5.009 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.726 -6.375 6.751 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.704 -4.323 3.631 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.983 -4.654 7.681 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.068 -2.300 3.364 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.337 -2.625 7.419 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.390 -1.450 5.258 1.00 0.00 H new ATOM 2358 N GLN B 65 0.515 -6.047 8.200 1.00 0.00 N ATOM 2359 CA GLN B 65 0.943 -5.713 9.555 1.00 0.00 C ATOM 2360 C GLN B 65 2.401 -5.248 9.568 1.00 0.00 C ATOM 2361 O GLN B 65 2.762 -4.335 10.313 1.00 0.00 O ATOM 2362 CB GLN B 65 0.772 -6.929 10.473 1.00 0.00 C ATOM 2363 CG GLN B 65 1.135 -6.658 11.928 1.00 0.00 C ATOM 2364 CD GLN B 65 0.171 -5.707 12.620 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -1.103 -5.774 12.261 1.00 0.00 O flip ATOM 2366 NE2 GLN B 65 0.570 -4.933 13.489 1.00 0.00 N flip ATOM 0 H GLN B 65 0.209 -7.013 8.084 1.00 0.00 H new ATOM 0 HA GLN B 65 0.320 -4.896 9.920 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.263 -7.267 10.424 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.392 -7.744 10.100 1.00 0.00 H new ATOM 0 HG2 GLN B 65 1.157 -7.602 12.472 1.00 0.00 H new ATOM 0 HG3 GLN B 65 2.141 -6.241 11.973 1.00 0.00 H new ATOM 0 HE21 GLN B 65 1.559 -4.911 13.737 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -0.088 -4.313 13.961 1.00 0.00 H new ATOM 2375 N THR B 66 3.221 -5.873 8.726 1.00 0.00 N ATOM 2376 CA THR B 66 4.639 -5.546 8.641 1.00 0.00 C ATOM 2377 C THR B 66 4.851 -4.065 8.305 1.00 0.00 C ATOM 2378 O THR B 66 5.566 -3.354 9.016 1.00 0.00 O ATOM 2379 CB THR B 66 5.348 -6.425 7.587 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.187 -7.813 7.919 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.832 -6.093 7.502 1.00 0.00 C ATOM 0 H THR B 66 2.924 -6.613 8.090 1.00 0.00 H new ATOM 0 HA THR B 66 5.075 -5.746 9.620 1.00 0.00 H new ATOM 0 HB THR B 66 4.892 -6.222 6.618 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.286 -8.107 7.669 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.304 -6.727 6.752 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.955 -5.047 7.222 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.300 -6.267 8.471 1.00 0.00 H new ATOM 2389 N MET B 67 4.210 -3.595 7.232 1.00 0.00 N ATOM 2390 CA MET B 67 4.372 -2.204 6.811 1.00 0.00 C ATOM 2391 C MET B 67 3.838 -1.260 7.881 1.00 0.00 C ATOM 2392 O MET B 67 4.426 -0.214 8.152 1.00 0.00 O ATOM 2393 CB MET B 67 3.658 -1.934 5.474 1.00 0.00 C ATOM 2394 CG MET B 67 2.149 -1.781 5.594 1.00 0.00 C ATOM 2395 SD MET B 67 1.383 -1.103 4.111 1.00 0.00 S ATOM 2396 CE MET B 67 -0.253 -0.711 4.733 1.00 0.00 C ATOM 0 H MET B 67 3.583 -4.148 6.648 1.00 0.00 H new ATOM 0 HA MET B 67 5.438 -2.024 6.671 1.00 0.00 H new ATOM 0 HB2 MET B 67 4.070 -1.027 5.031 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.876 -2.752 4.787 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.708 -2.754 5.810 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.922 -1.133 6.441 1.00 0.00 H new ATOM 0 HE1 MET B 67 -0.910 -0.466 3.899 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.654 -1.571 5.270 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.191 0.142 5.408 1.00 0.00 H new ATOM 2406 N VAL B 68 2.743 -1.659 8.513 1.00 0.00 N ATOM 2407 CA VAL B 68 2.058 -0.814 9.474 1.00 0.00 C ATOM 2408 C VAL B 68 2.926 -0.537 10.695 1.00 0.00 C ATOM 2409 O VAL B 68 3.027 0.603 11.134 1.00 0.00 O ATOM 2410 CB VAL B 68 0.716 -1.443 9.891 1.00 0.00 C ATOM 2411 CG1 VAL B 68 0.111 -0.733 11.094 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.243 -1.412 8.714 1.00 0.00 C ATOM 0 H VAL B 68 2.309 -2.571 8.374 1.00 0.00 H new ATOM 0 HA VAL B 68 1.857 0.141 8.989 1.00 0.00 H new ATOM 0 HB VAL B 68 0.898 -2.476 10.186 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.835 -1.206 11.358 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.797 -0.799 11.938 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.063 0.315 10.849 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.194 -1.857 9.008 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.406 -0.380 8.404 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.181 -1.977 7.884 1.00 0.00 H new ATOM 2422 N ASP B 69 3.568 -1.568 11.223 1.00 0.00 N ATOM 2423 CA ASP B 69 4.440 -1.399 12.381 1.00 0.00 C ATOM 2424 C ASP B 69 5.627 -0.502 12.036 1.00 0.00 C ATOM 2425 O ASP B 69 6.019 0.369 12.824 1.00 0.00 O ATOM 2426 CB ASP B 69 4.933 -2.753 12.893 1.00 0.00 C ATOM 2427 CG ASP B 69 5.827 -2.612 14.109 1.00 0.00 C ATOM 2428 OD1 ASP B 69 5.318 -2.242 15.188 1.00 0.00 O ATOM 2429 OD2 ASP B 69 7.045 -2.858 13.991 1.00 0.00 O ATOM 0 H ASP B 69 3.504 -2.524 10.873 1.00 0.00 H new ATOM 0 HA ASP B 69 3.861 -0.921 13.171 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.077 -3.379 13.144 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.479 -3.263 12.099 1.00 0.00 H new ATOM 2434 N ALA B 70 6.182 -0.704 10.847 1.00 0.00 N ATOM 2435 CA ALA B 70 7.302 0.101 10.383 1.00 0.00 C ATOM 2436 C ALA B 70 6.920 1.576 10.301 1.00 0.00 C ATOM 2437 O ALA B 70 7.581 2.428 10.889 1.00 0.00 O ATOM 2438 CB ALA B 70 7.790 -0.394 9.033 1.00 0.00 C ATOM 0 H ALA B 70 5.874 -1.419 10.188 1.00 0.00 H new ATOM 0 HA ALA B 70 8.111 -0.000 11.106 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.628 0.220 8.702 1.00 0.00 H new ATOM 0 HB2 ALA B 70 8.113 -1.431 9.121 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.981 -0.326 8.306 1.00 0.00 H new ATOM 2444 N PHE B 71 5.835 1.872 9.592 1.00 0.00 N ATOM 2445 CA PHE B 71 5.389 3.252 9.416 1.00 0.00 C ATOM 2446 C PHE B 71 4.897 3.833 10.738 1.00 0.00 C ATOM 2447 O PHE B 71 5.010 5.037 10.977 1.00 0.00 O ATOM 2448 CB PHE B 71 4.291 3.330 8.354 1.00 0.00 C ATOM 2449 CG PHE B 71 4.724 2.816 7.007 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.990 3.097 6.517 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.868 2.046 6.237 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.394 2.616 5.287 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.269 1.563 5.006 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.532 1.848 4.532 1.00 0.00 C ATOM 0 H PHE B 71 5.249 1.177 9.130 1.00 0.00 H new ATOM 0 HA PHE B 71 6.239 3.845 9.078 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.427 2.758 8.692 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.967 4.366 8.252 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.668 3.699 7.104 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.877 1.821 6.602 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.383 2.841 4.917 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.593 0.962 4.415 1.00 0.00 H new ATOM 0 HZ PHE B 71 5.846 1.470 3.570 1.00 0.00 H new ATOM 2464 N LYS B 72 4.367 2.958 11.587 1.00 0.00 N ATOM 2465 CA LYS B 72 3.908 3.326 12.924 1.00 0.00 C ATOM 2466 C LYS B 72 5.021 4.016 13.709 1.00 0.00 C ATOM 2467 O LYS B 72 4.794 5.021 14.385 1.00 0.00 O ATOM 2468 CB LYS B 72 3.452 2.060 13.661 1.00 0.00 C ATOM 2469 CG LYS B 72 2.949 2.280 15.078 1.00 0.00 C ATOM 2470 CD LYS B 72 2.713 0.952 15.783 1.00 0.00 C ATOM 2471 CE LYS B 72 1.644 0.118 15.091 1.00 0.00 C ATOM 2472 NZ LYS B 72 0.268 0.570 15.430 1.00 0.00 N ATOM 0 H LYS B 72 4.243 1.970 11.367 1.00 0.00 H new ATOM 0 HA LYS B 72 3.075 4.024 12.836 1.00 0.00 H new ATOM 0 HB2 LYS B 72 2.660 1.587 13.081 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.285 1.358 13.694 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.675 2.870 15.638 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.022 2.853 15.054 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.646 0.389 15.817 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.415 1.138 16.815 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.786 0.172 14.012 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.761 -0.928 15.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.346 0.469 14.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 -0.106 -0.010 16.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.293 1.568 15.722 1.00 0.00 H new ATOM 2486 N GLY B 73 6.228 3.476 13.605 1.00 0.00 N ATOM 2487 CA GLY B 73 7.346 4.025 14.347 1.00 0.00 C ATOM 2488 C GLY B 73 8.203 4.975 13.530 1.00 0.00 C ATOM 2489 O GLY B 73 9.013 5.717 14.089 1.00 0.00 O ATOM 0 H GLY B 73 6.453 2.670 13.022 1.00 0.00 H new ATOM 0 HA2 GLY B 73 6.968 4.551 15.223 1.00 0.00 H new ATOM 0 HA3 GLY B 73 7.968 3.207 14.710 1.00 0.00 H new ATOM 2493 N ASN B 74 8.032 4.965 12.214 1.00 0.00 N ATOM 2494 CA ASN B 74 8.885 5.758 11.330 1.00 0.00 C ATOM 2495 C ASN B 74 8.221 7.055 10.878 1.00 0.00 C ATOM 2496 O ASN B 74 8.607 8.138 11.318 1.00 0.00 O ATOM 2497 CB ASN B 74 9.308 4.942 10.103 1.00 0.00 C ATOM 2498 CG ASN B 74 10.460 3.995 10.388 1.00 0.00 C ATOM 2499 OD1 ASN B 74 11.374 4.407 11.254 1.00 0.00 O flip ATOM 2500 ND2 ASN B 74 10.534 2.902 9.823 1.00 0.00 N flip ATOM 0 H ASN B 74 7.315 4.420 11.735 1.00 0.00 H new ATOM 0 HA ASN B 74 9.766 6.024 11.914 1.00 0.00 H new ATOM 0 HB2 ASN B 74 8.454 4.368 9.743 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.595 5.623 9.302 1.00 0.00 H new ATOM 0 HD21 ASN B 74 9.810 2.620 9.162 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.319 2.280 10.016 1.00 0.00 H new ATOM 2507 N LEU B 75 7.220 6.943 10.009 1.00 0.00 N ATOM 2508 CA LEU B 75 6.659 8.112 9.339 1.00 0.00 C ATOM 2509 C LEU B 75 5.934 9.027 10.319 1.00 0.00 C ATOM 2510 O LEU B 75 6.074 10.249 10.254 1.00 0.00 O ATOM 2511 CB LEU B 75 5.715 7.694 8.211 1.00 0.00 C ATOM 2512 CG LEU B 75 5.266 8.837 7.296 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.460 9.463 6.594 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.251 8.345 6.277 1.00 0.00 C ATOM 0 H LEU B 75 6.782 6.058 9.753 1.00 0.00 H new ATOM 0 HA LEU B 75 7.492 8.669 8.911 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.209 6.934 7.605 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.832 7.228 8.648 1.00 0.00 H new ATOM 0 HG LEU B 75 4.791 9.598 7.914 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.119 10.273 5.949 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.153 9.858 7.337 1.00 0.00 H new ATOM 0 HD13 LEU B 75 6.965 8.708 5.992 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.946 9.174 5.638 1.00 0.00 H new ATOM 0 HD22 LEU B 75 4.699 7.561 5.666 1.00 0.00 H new ATOM 0 HD23 LEU B 75 3.379 7.947 6.795 1.00 0.00 H new ATOM 2526 N GLU B 76 5.162 8.441 11.225 1.00 0.00 N ATOM 2527 CA GLU B 76 4.471 9.229 12.232 1.00 0.00 C ATOM 2528 C GLU B 76 5.435 9.519 13.374 1.00 0.00 C ATOM 2529 O GLU B 76 5.594 8.714 14.298 1.00 0.00 O ATOM 2530 CB GLU B 76 3.220 8.500 12.734 1.00 0.00 C ATOM 2531 CG GLU B 76 2.153 9.421 13.325 1.00 0.00 C ATOM 2532 CD GLU B 76 2.561 10.067 14.636 1.00 0.00 C ATOM 2533 OE1 GLU B 76 2.364 9.440 15.696 1.00 0.00 O ATOM 2534 OE2 GLU B 76 3.061 11.207 14.618 1.00 0.00 O ATOM 0 H GLU B 76 5.001 7.435 11.282 1.00 0.00 H new ATOM 0 HA GLU B 76 4.138 10.170 11.794 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.783 7.940 11.907 1.00 0.00 H new ATOM 0 HB3 GLU B 76 3.516 7.773 13.490 1.00 0.00 H new ATOM 0 HG2 GLU B 76 1.920 10.203 12.602 1.00 0.00 H new ATOM 0 HG3 GLU B 76 1.238 8.849 13.481 1.00 0.00 H new