USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 368 ASN : amide:sc= -0.108 K(o=-7.4,f=-19!) USER MOD Set 1.2: B 369 GLN : amide:sc= -7.26! C(o=-7.4!,f=-19!) USER MOD Set 2.1: B 312 ASN : amide:sc= -0.0454 X(o=-0.11,f=-0.38) USER MOD Set 2.2: B 316 ASN :FLIP amide:sc= -0.0647 F(o=-0.96,f=-0.11) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 165:sc= -0.312 (180deg=-0.791) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 305 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 306 HIS : no HD1:sc= -0.281 K(o=-0.28,f=-0.97) USER MOD Single : B 309 ASN :FLIP amide:sc= -0.102 F(o=-1.5,f=-0.1) USER MOD Single : B 310 TYR OH : rot 50:sc= -1.89! USER MOD Single : B 313 LYS NZ :NH3+ -155:sc= -1.53! (180deg=-2.07!) USER MOD Single : B 315 LYS NZ :NH3+ 165:sc= -0.0284 (180deg=-0.268) USER MOD Single : B 319 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : B 321 GLN :FLIP amide:sc= -0.155 F(o=-1.7,f=-0.15) USER MOD Single : B 325 TYR OH : rot 171:sc= -3.98 USER MOD Single : B 326 LYS NZ :NH3+ -115:sc= -0.213 (180deg=-2.49!) USER MOD Single : B 333 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-6.2!) USER MOD Single : B 334 THR OG1 : rot 76:sc= 0.159 USER MOD Single : B 335 TYR OH : rot 150:sc= 0 USER MOD Single : B 336 GLN : amide:sc= -2.03 K(o=-2,f=-3.6!) USER MOD Single : B 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 354 THR OG1 : rot -41:sc= 0.967 USER MOD Single : B 356 GLN : amide:sc= -0.6 K(o=-0.6,f=-2.9!) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.4!) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 374 SER OG : rot 64:sc= 0.534 USER MOD Single : B 378 GLN : amide:sc= -0.688 K(o=-0.69,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 0.852 4.329 -1.983 1.00 0.00 N ATOM 59 CA ILE A 9 0.081 3.122 -1.709 1.00 0.00 C ATOM 60 C ILE A 9 -0.893 2.821 -2.813 1.00 0.00 C ATOM 61 O ILE A 9 -1.026 1.672 -3.230 1.00 0.00 O ATOM 62 CB ILE A 9 -0.742 3.201 -0.418 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.589 4.470 -0.351 1.00 0.00 C ATOM 64 CG2 ILE A 9 0.150 3.097 0.775 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.536 4.476 0.823 1.00 0.00 C ATOM 0 HA ILE A 9 0.836 2.341 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.431 2.357 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.932 5.337 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.160 4.570 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.449 3.155 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.681 2.145 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.870 3.915 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.112 5.401 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.214 3.626 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.967 4.405 1.750 1.00 0.00 H new ATOM 77 N GLN A 10 -1.601 3.848 -3.263 1.00 0.00 N ATOM 78 CA GLN A 10 -2.585 3.657 -4.296 1.00 0.00 C ATOM 79 C GLN A 10 -1.926 3.079 -5.544 1.00 0.00 C ATOM 80 O GLN A 10 -2.526 2.279 -6.262 1.00 0.00 O ATOM 81 CB GLN A 10 -3.318 4.962 -4.613 1.00 0.00 C ATOM 82 CG GLN A 10 -4.451 4.803 -5.616 1.00 0.00 C ATOM 83 CD GLN A 10 -5.222 6.092 -5.833 1.00 0.00 C ATOM 84 OE1 GLN A 10 -4.666 7.094 -6.283 1.00 0.00 O ATOM 85 NE2 GLN A 10 -6.512 6.077 -5.511 1.00 0.00 N ATOM 0 H GLN A 10 -1.508 4.807 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.330 2.947 -3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.720 5.376 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.601 5.685 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.044 4.463 -6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.135 4.029 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.935 5.226 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.078 6.916 -5.634 1.00 0.00 H new ATOM 94 N MET A 11 -0.665 3.466 -5.767 1.00 0.00 N ATOM 95 CA MET A 11 0.104 2.963 -6.896 1.00 0.00 C ATOM 96 C MET A 11 0.215 1.440 -6.785 1.00 0.00 C ATOM 97 O MET A 11 0.072 0.724 -7.778 1.00 0.00 O ATOM 98 CB MET A 11 1.487 3.621 -6.922 1.00 0.00 C ATOM 99 CG MET A 11 2.248 3.405 -8.217 1.00 0.00 C ATOM 100 SD MET A 11 3.676 4.494 -8.360 1.00 0.00 S ATOM 101 CE MET A 11 4.601 4.030 -6.901 1.00 0.00 C ATOM 0 H MET A 11 -0.161 4.127 -5.176 1.00 0.00 H new ATOM 0 HA MET A 11 -0.399 3.210 -7.831 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.372 4.692 -6.754 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.080 3.231 -6.095 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.578 2.368 -8.273 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.579 3.573 -9.061 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.620 4.410 -6.980 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.123 4.453 -6.017 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.624 2.944 -6.815 1.00 0.00 H new ATOM 111 N LEU A 12 0.419 0.955 -5.551 1.00 0.00 N ATOM 112 CA LEU A 12 0.488 -0.480 -5.281 1.00 0.00 C ATOM 113 C LEU A 12 -0.904 -1.083 -5.395 1.00 0.00 C ATOM 114 O LEU A 12 -1.118 -2.042 -6.133 1.00 0.00 O ATOM 115 CB LEU A 12 1.007 -0.758 -3.869 1.00 0.00 C ATOM 116 CG LEU A 12 2.471 -0.426 -3.604 1.00 0.00 C ATOM 117 CD1 LEU A 12 2.612 0.382 -2.321 1.00 0.00 C ATOM 118 CD2 LEU A 12 3.278 -1.712 -3.513 1.00 0.00 C ATOM 0 H LEU A 12 0.539 1.542 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 12 1.170 -0.922 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.396 -0.194 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.852 -1.815 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 12 2.853 0.177 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.664 0.610 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.050 1.311 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.223 -0.196 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.324 -1.472 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.893 -2.326 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.196 -2.260 -4.451 1.00 0.00 H new ATOM 130 N LEU A 13 -1.842 -0.507 -4.634 1.00 0.00 N ATOM 131 CA LEU A 13 -3.233 -0.967 -4.618 1.00 0.00 C ATOM 132 C LEU A 13 -3.749 -1.279 -6.025 1.00 0.00 C ATOM 133 O LEU A 13 -4.135 -2.414 -6.311 1.00 0.00 O ATOM 134 CB LEU A 13 -4.126 0.099 -3.973 1.00 0.00 C ATOM 135 CG LEU A 13 -3.890 0.327 -2.481 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.552 1.620 -2.021 1.00 0.00 C ATOM 137 CD2 LEU A 13 -4.423 -0.851 -1.689 1.00 0.00 C ATOM 0 H LEU A 13 -1.659 0.285 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.267 -1.888 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.975 1.043 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.168 -0.184 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.818 0.415 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.371 1.762 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.134 2.460 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.625 1.564 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.252 -0.682 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.492 -0.958 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.909 -1.761 -1.999 1.00 0.00 H new ATOM 149 N GLU A 14 -3.752 -0.267 -6.896 1.00 0.00 N ATOM 150 CA GLU A 14 -4.218 -0.439 -8.273 1.00 0.00 C ATOM 151 C GLU A 14 -3.391 -1.509 -8.984 1.00 0.00 C ATOM 152 O GLU A 14 -3.927 -2.319 -9.744 1.00 0.00 O ATOM 153 CB GLU A 14 -4.143 0.885 -9.040 1.00 0.00 C ATOM 154 CG GLU A 14 -4.949 2.011 -8.400 1.00 0.00 C ATOM 155 CD GLU A 14 -6.408 1.648 -8.188 1.00 0.00 C ATOM 156 OE1 GLU A 14 -7.109 1.385 -9.189 1.00 0.00 O ATOM 157 OE2 GLU A 14 -6.849 1.624 -7.019 1.00 0.00 O ATOM 0 H GLU A 14 -3.438 0.677 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.259 -0.761 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.100 1.193 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.501 0.726 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.502 2.271 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.889 2.898 -9.031 1.00 0.00 H new ATOM 164 N ALA A 15 -2.086 -1.517 -8.708 1.00 0.00 N ATOM 165 CA ALA A 15 -1.172 -2.495 -9.288 1.00 0.00 C ATOM 166 C ALA A 15 -1.588 -3.912 -8.928 1.00 0.00 C ATOM 167 O ALA A 15 -1.685 -4.761 -9.805 1.00 0.00 O ATOM 168 CB ALA A 15 0.240 -2.239 -8.813 1.00 0.00 C ATOM 0 H ALA A 15 -1.638 -0.850 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.211 -2.389 -10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.911 -2.976 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.550 -1.239 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.278 -2.317 -7.726 1.00 0.00 H new ATOM 174 N ALA A 16 -1.829 -4.157 -7.634 1.00 0.00 N ATOM 175 CA ALA A 16 -2.228 -5.483 -7.167 1.00 0.00 C ATOM 176 C ALA A 16 -3.268 -6.111 -8.085 1.00 0.00 C ATOM 177 O ALA A 16 -3.077 -7.221 -8.569 1.00 0.00 O ATOM 178 CB ALA A 16 -2.785 -5.434 -5.762 1.00 0.00 C ATOM 0 H ALA A 16 -1.754 -3.455 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.326 -6.094 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.071 -6.438 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.026 -5.044 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.660 -4.784 -5.740 1.00 0.00 H new ATOM 184 N ASP A 17 -4.367 -5.383 -8.321 1.00 0.00 N ATOM 185 CA ASP A 17 -5.444 -5.862 -9.195 1.00 0.00 C ATOM 186 C ASP A 17 -4.868 -6.332 -10.529 1.00 0.00 C ATOM 187 O ASP A 17 -5.286 -7.353 -11.075 1.00 0.00 O ATOM 188 CB ASP A 17 -6.480 -4.754 -9.431 1.00 0.00 C ATOM 189 CG ASP A 17 -7.155 -4.269 -8.153 1.00 0.00 C ATOM 190 OD1 ASP A 17 -6.868 -4.820 -7.066 1.00 0.00 O ATOM 191 OD2 ASP A 17 -7.979 -3.335 -8.243 1.00 0.00 O ATOM 0 H ASP A 17 -4.533 -4.461 -7.919 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.938 -6.701 -8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.992 -3.909 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.242 -5.121 -10.118 1.00 0.00 H new ATOM 196 N TYR A 18 -3.887 -5.583 -11.027 1.00 0.00 N ATOM 197 CA TYR A 18 -3.210 -5.909 -12.276 1.00 0.00 C ATOM 198 C TYR A 18 -2.311 -7.126 -12.085 1.00 0.00 C ATOM 199 O TYR A 18 -2.240 -8.000 -12.951 1.00 0.00 O ATOM 200 CB TYR A 18 -2.396 -4.694 -12.749 1.00 0.00 C ATOM 201 CG TYR A 18 -1.548 -4.933 -13.977 1.00 0.00 C ATOM 202 CD1 TYR A 18 -2.118 -5.033 -15.239 1.00 0.00 C ATOM 203 CD2 TYR A 18 -0.167 -5.056 -13.871 1.00 0.00 C ATOM 204 CE1 TYR A 18 -1.339 -5.246 -16.359 1.00 0.00 C ATOM 205 CE2 TYR A 18 0.619 -5.271 -14.986 1.00 0.00 C ATOM 206 CZ TYR A 18 0.028 -5.365 -16.228 1.00 0.00 C ATOM 207 OH TYR A 18 0.807 -5.577 -17.342 1.00 0.00 O ATOM 0 H TYR A 18 -3.541 -4.736 -10.576 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.950 -6.153 -13.038 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.083 -3.873 -12.954 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.747 -4.371 -11.935 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.189 -4.943 -15.347 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.299 -4.982 -12.900 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.799 -5.319 -17.333 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.690 -5.365 -14.886 1.00 0.00 H new ATOM 0 HH TYR A 18 1.748 -5.636 -17.076 1.00 0.00 H new ATOM 217 N LEU A 19 -1.651 -7.183 -10.931 1.00 0.00 N ATOM 218 CA LEU A 19 -0.777 -8.298 -10.593 1.00 0.00 C ATOM 219 C LEU A 19 -1.601 -9.571 -10.415 1.00 0.00 C ATOM 220 O LEU A 19 -1.131 -10.668 -10.716 1.00 0.00 O ATOM 221 CB LEU A 19 -0.016 -8.008 -9.296 1.00 0.00 C ATOM 222 CG LEU A 19 0.634 -6.629 -9.209 1.00 0.00 C ATOM 223 CD1 LEU A 19 1.171 -6.384 -7.812 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.741 -6.482 -10.243 1.00 0.00 C ATOM 0 H LEU A 19 -1.707 -6.463 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.063 -8.433 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.705 -8.119 -8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.759 -8.764 -9.173 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.128 -5.880 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.631 -5.397 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.353 -6.436 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.915 -7.143 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.187 -5.491 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.505 -7.240 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.325 -6.610 -11.242 1.00 0.00 H new ATOM 236 N GLU A 20 -2.836 -9.408 -9.912 1.00 0.00 N ATOM 237 CA GLU A 20 -3.738 -10.547 -9.677 1.00 0.00 C ATOM 238 C GLU A 20 -3.677 -11.568 -10.814 1.00 0.00 C ATOM 239 O GLU A 20 -3.509 -12.763 -10.570 1.00 0.00 O ATOM 240 CB GLU A 20 -5.183 -10.069 -9.489 1.00 0.00 C ATOM 241 CG GLU A 20 -5.427 -9.312 -8.187 1.00 0.00 C ATOM 242 CD GLU A 20 -5.307 -10.190 -6.952 1.00 0.00 C ATOM 243 OE1 GLU A 20 -4.210 -10.735 -6.708 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.314 -10.329 -6.227 1.00 0.00 O ATOM 0 H GLU A 20 -3.231 -8.502 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.399 -11.036 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.453 -9.425 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.847 -10.933 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.713 -8.491 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.422 -8.868 -8.214 1.00 0.00 H new ATOM 416 N PHE B 304 6.694 3.258 -9.532 1.00 0.00 N ATOM 417 CA PHE B 304 5.529 2.437 -9.859 1.00 0.00 C ATOM 418 C PHE B 304 5.918 0.966 -9.958 1.00 0.00 C ATOM 419 O PHE B 304 5.437 0.144 -9.182 1.00 0.00 O ATOM 420 CB PHE B 304 4.890 2.922 -11.168 1.00 0.00 C ATOM 421 CG PHE B 304 3.625 2.203 -11.546 1.00 0.00 C ATOM 422 CD1 PHE B 304 3.668 0.945 -12.128 1.00 0.00 C ATOM 423 CD2 PHE B 304 2.391 2.787 -11.316 1.00 0.00 C ATOM 424 CE1 PHE B 304 2.503 0.288 -12.476 1.00 0.00 C ATOM 425 CE2 PHE B 304 1.224 2.133 -11.660 1.00 0.00 C ATOM 426 CZ PHE B 304 1.280 0.882 -12.243 1.00 0.00 C ATOM 0 HA PHE B 304 4.796 2.538 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.676 3.987 -11.080 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.613 2.808 -11.975 1.00 0.00 H new ATOM 0 HD1 PHE B 304 4.622 0.474 -12.311 1.00 0.00 H new ATOM 0 HD2 PHE B 304 2.340 3.766 -10.862 1.00 0.00 H new ATOM 0 HE1 PHE B 304 2.550 -0.691 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE B 304 0.268 2.600 -11.473 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.369 0.370 -12.516 1.00 0.00 H new ATOM 436 N ASN B 305 6.799 0.635 -10.900 1.00 0.00 N ATOM 437 CA ASN B 305 7.245 -0.746 -11.070 1.00 0.00 C ATOM 438 C ASN B 305 7.873 -1.284 -9.781 1.00 0.00 C ATOM 439 O ASN B 305 7.775 -2.476 -9.491 1.00 0.00 O ATOM 440 CB ASN B 305 8.246 -0.853 -12.226 1.00 0.00 C ATOM 441 CG ASN B 305 8.731 -2.277 -12.446 1.00 0.00 C ATOM 442 OD1 ASN B 305 7.943 -3.172 -12.754 1.00 0.00 O ATOM 443 ND2 ASN B 305 10.032 -2.495 -12.285 1.00 0.00 N ATOM 0 H ASN B 305 7.216 1.299 -11.553 1.00 0.00 H new ATOM 0 HA ASN B 305 6.370 -1.351 -11.306 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.781 -0.486 -13.141 1.00 0.00 H new ATOM 0 HB3 ASN B 305 9.101 -0.209 -12.023 1.00 0.00 H new ATOM 0 HD21 ASN B 305 10.412 -3.432 -12.417 1.00 0.00 H new ATOM 0 HD22 ASN B 305 10.650 -1.725 -12.029 1.00 0.00 H new ATOM 450 N HIS B 306 8.514 -0.400 -9.010 1.00 0.00 N ATOM 451 CA HIS B 306 9.149 -0.792 -7.753 1.00 0.00 C ATOM 452 C HIS B 306 8.111 -1.357 -6.785 1.00 0.00 C ATOM 453 O HIS B 306 8.244 -2.488 -6.314 1.00 0.00 O ATOM 454 CB HIS B 306 9.868 0.410 -7.124 1.00 0.00 C ATOM 455 CG HIS B 306 10.781 0.055 -5.989 1.00 0.00 C ATOM 456 ND1 HIS B 306 11.427 1.003 -5.223 1.00 0.00 N ATOM 457 CD2 HIS B 306 11.171 -1.146 -5.502 1.00 0.00 C ATOM 458 CE1 HIS B 306 12.175 0.400 -4.317 1.00 0.00 C ATOM 459 NE2 HIS B 306 12.038 -0.904 -4.465 1.00 0.00 N ATOM 0 H HIS B 306 8.606 0.590 -9.236 1.00 0.00 H new ATOM 0 HA HIS B 306 9.885 -1.568 -7.962 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.447 0.918 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.122 1.119 -6.767 1.00 0.00 H new ATOM 0 HD2 HIS B 306 10.858 -2.115 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS B 306 12.794 0.891 -3.580 1.00 0.00 H new ATOM 0 HE2 HIS B 306 12.501 -1.617 -3.901 1.00 0.00 H new ATOM 468 N ALA B 307 7.064 -0.573 -6.512 1.00 0.00 N ATOM 469 CA ALA B 307 5.988 -1.009 -5.624 1.00 0.00 C ATOM 470 C ALA B 307 5.247 -2.183 -6.240 1.00 0.00 C ATOM 471 O ALA B 307 4.970 -3.176 -5.578 1.00 0.00 O ATOM 472 CB ALA B 307 5.014 0.126 -5.359 1.00 0.00 C ATOM 0 H ALA B 307 6.941 0.365 -6.894 1.00 0.00 H new ATOM 0 HA ALA B 307 6.432 -1.317 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.222 -0.222 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.542 0.956 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.578 0.459 -6.301 1.00 0.00 H new ATOM 478 N ILE B 308 4.940 -2.050 -7.524 1.00 0.00 N ATOM 479 CA ILE B 308 4.238 -3.080 -8.277 1.00 0.00 C ATOM 480 C ILE B 308 4.890 -4.440 -8.090 1.00 0.00 C ATOM 481 O ILE B 308 4.271 -5.370 -7.568 1.00 0.00 O ATOM 482 CB ILE B 308 4.218 -2.705 -9.770 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.026 -1.802 -10.065 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.186 -3.942 -10.637 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.672 -0.888 -8.914 1.00 0.00 C ATOM 0 H ILE B 308 5.172 -1.222 -8.073 1.00 0.00 H new ATOM 0 HA ILE B 308 3.217 -3.144 -7.902 1.00 0.00 H new ATOM 0 HB ILE B 308 5.133 -2.161 -10.004 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.245 -1.198 -10.946 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.162 -2.420 -10.309 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.172 -3.650 -11.687 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.071 -4.547 -10.440 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.292 -4.522 -10.410 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.816 -0.272 -9.189 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.422 -1.486 -8.038 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.522 -0.246 -8.685 1.00 0.00 H new ATOM 497 N ASN B 309 6.147 -4.539 -8.501 1.00 0.00 N ATOM 498 CA ASN B 309 6.899 -5.772 -8.363 1.00 0.00 C ATOM 499 C ASN B 309 7.001 -6.166 -6.887 1.00 0.00 C ATOM 500 O ASN B 309 7.062 -7.353 -6.559 1.00 0.00 O ATOM 501 CB ASN B 309 8.269 -5.598 -9.005 1.00 0.00 C ATOM 502 CG ASN B 309 8.322 -5.986 -10.482 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.167 -6.211 -11.111 1.00 0.00 O flip ATOM 504 ND2 ASN B 309 9.403 -6.060 -11.064 1.00 0.00 N flip ATOM 0 H ASN B 309 6.666 -3.775 -8.934 1.00 0.00 H new ATOM 0 HA ASN B 309 6.384 -6.584 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.576 -4.557 -8.903 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.994 -6.199 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN B 309 10.269 -5.882 -10.556 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.433 -6.299 -12.055 1.00 0.00 H new ATOM 511 N TYR B 310 6.961 -5.166 -5.996 1.00 0.00 N ATOM 512 CA TYR B 310 6.981 -5.423 -4.559 1.00 0.00 C ATOM 513 C TYR B 310 5.699 -6.154 -4.162 1.00 0.00 C ATOM 514 O TYR B 310 5.741 -7.160 -3.455 1.00 0.00 O ATOM 515 CB TYR B 310 7.112 -4.114 -3.764 1.00 0.00 C ATOM 516 CG TYR B 310 6.738 -4.250 -2.301 1.00 0.00 C ATOM 517 CD1 TYR B 310 6.979 -5.428 -1.601 1.00 0.00 C ATOM 518 CD2 TYR B 310 6.131 -3.202 -1.624 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.627 -5.557 -0.276 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.771 -3.326 -0.298 1.00 0.00 C ATOM 521 CZ TYR B 310 6.021 -4.506 0.370 1.00 0.00 C ATOM 522 OH TYR B 310 5.652 -4.639 1.684 1.00 0.00 O ATOM 0 H TYR B 310 6.915 -4.179 -6.248 1.00 0.00 H new ATOM 0 HA TYR B 310 7.847 -6.043 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.139 -3.757 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.478 -3.355 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.451 -6.257 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.937 -2.275 -2.143 1.00 0.00 H new ATOM 0 HE1 TYR B 310 6.826 -6.478 0.252 1.00 0.00 H new ATOM 0 HE2 TYR B 310 5.296 -2.503 0.214 1.00 0.00 H new ATOM 0 HH TYR B 310 6.406 -4.993 2.201 1.00 0.00 H new ATOM 532 N VAL B 311 4.558 -5.651 -4.653 1.00 0.00 N ATOM 533 CA VAL B 311 3.265 -6.271 -4.370 1.00 0.00 C ATOM 534 C VAL B 311 3.285 -7.726 -4.843 1.00 0.00 C ATOM 535 O VAL B 311 2.680 -8.596 -4.218 1.00 0.00 O ATOM 536 CB VAL B 311 2.091 -5.550 -5.077 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.759 -6.075 -4.574 1.00 0.00 C ATOM 538 CG2 VAL B 311 2.140 -4.045 -4.903 1.00 0.00 C ATOM 0 H VAL B 311 4.508 -4.821 -5.244 1.00 0.00 H new ATOM 0 HA VAL B 311 3.108 -6.202 -3.293 1.00 0.00 H new ATOM 0 HB VAL B 311 2.194 -5.764 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.053 -5.555 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.689 -7.144 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.682 -5.903 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.294 -3.591 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL B 311 2.092 -3.800 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL B 311 3.069 -3.660 -5.323 1.00 0.00 H new ATOM 548 N ASN B 312 4.004 -7.976 -5.947 1.00 0.00 N ATOM 549 CA ASN B 312 4.133 -9.319 -6.508 1.00 0.00 C ATOM 550 C ASN B 312 4.638 -10.289 -5.437 1.00 0.00 C ATOM 551 O ASN B 312 4.075 -11.369 -5.260 1.00 0.00 O ATOM 552 CB ASN B 312 5.083 -9.301 -7.711 1.00 0.00 C ATOM 553 CG ASN B 312 5.094 -10.611 -8.475 1.00 0.00 C ATOM 554 OD1 ASN B 312 4.066 -11.047 -8.995 1.00 0.00 O ATOM 555 ND2 ASN B 312 6.259 -11.247 -8.550 1.00 0.00 N ATOM 0 H ASN B 312 4.506 -7.257 -6.468 1.00 0.00 H new ATOM 0 HA ASN B 312 3.154 -9.657 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.792 -8.496 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN B 312 6.093 -9.079 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN B 312 6.326 -12.132 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN B 312 7.086 -10.850 -8.105 1.00 0.00 H new ATOM 562 N LYS B 313 5.681 -9.878 -4.703 1.00 0.00 N ATOM 563 CA LYS B 313 6.236 -10.693 -3.617 1.00 0.00 C ATOM 564 C LYS B 313 5.143 -11.120 -2.651 1.00 0.00 C ATOM 565 O LYS B 313 4.995 -12.298 -2.346 1.00 0.00 O ATOM 566 CB LYS B 313 7.288 -9.906 -2.827 1.00 0.00 C ATOM 567 CG LYS B 313 8.710 -10.082 -3.316 1.00 0.00 C ATOM 568 CD LYS B 313 9.675 -9.154 -2.588 1.00 0.00 C ATOM 569 CE LYS B 313 9.413 -7.692 -2.915 1.00 0.00 C ATOM 570 NZ LYS B 313 9.726 -7.370 -4.337 1.00 0.00 N ATOM 0 H LYS B 313 6.156 -8.986 -4.842 1.00 0.00 H new ATOM 0 HA LYS B 313 6.694 -11.570 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS B 313 7.034 -8.847 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.238 -10.208 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS B 313 9.020 -11.117 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.754 -9.885 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS B 313 9.584 -9.307 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS B 313 10.699 -9.409 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS B 313 8.368 -7.457 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS B 313 10.014 -7.061 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 9.947 -6.357 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 10.545 -7.931 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 8.905 -7.597 -4.933 1.00 0.00 H new ATOM 584 N ILE B 314 4.397 -10.137 -2.170 1.00 0.00 N ATOM 585 CA ILE B 314 3.316 -10.366 -1.225 1.00 0.00 C ATOM 586 C ILE B 314 2.205 -11.209 -1.842 1.00 0.00 C ATOM 587 O ILE B 314 1.806 -12.230 -1.297 1.00 0.00 O ATOM 588 CB ILE B 314 2.752 -9.024 -0.732 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.891 -8.184 -0.149 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.661 -9.247 0.303 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.516 -6.753 0.123 1.00 0.00 C ATOM 0 H ILE B 314 4.525 -9.158 -2.424 1.00 0.00 H new ATOM 0 HA ILE B 314 3.723 -10.918 -0.378 1.00 0.00 H new ATOM 0 HB ILE B 314 2.306 -8.490 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE B 314 4.229 -8.643 0.780 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.734 -8.203 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.276 -8.284 0.639 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.852 -9.827 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE B 314 2.072 -9.790 1.154 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.375 -6.224 0.535 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.206 -6.275 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.694 -6.722 0.838 1.00 0.00 H new ATOM 603 N LYS B 315 1.711 -10.786 -2.989 1.00 0.00 N ATOM 604 CA LYS B 315 0.658 -11.519 -3.667 1.00 0.00 C ATOM 605 C LYS B 315 1.051 -12.994 -3.826 1.00 0.00 C ATOM 606 O LYS B 315 0.268 -13.890 -3.509 1.00 0.00 O ATOM 607 CB LYS B 315 0.390 -10.856 -5.014 1.00 0.00 C ATOM 608 CG LYS B 315 -0.773 -11.439 -5.787 1.00 0.00 C ATOM 609 CD LYS B 315 -0.943 -10.705 -7.101 1.00 0.00 C ATOM 610 CE LYS B 315 0.224 -10.974 -8.040 1.00 0.00 C ATOM 611 NZ LYS B 315 0.319 -12.411 -8.424 1.00 0.00 N ATOM 0 H LYS B 315 2.020 -9.941 -3.470 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.258 -11.495 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.204 -9.795 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.289 -10.931 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.601 -12.499 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.687 -11.363 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.874 -11.016 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -1.023 -9.634 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS B 315 0.113 -10.366 -8.938 1.00 0.00 H new ATOM 0 HE3 LYS B 315 1.153 -10.666 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 0.950 -12.510 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 0.699 -12.959 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -0.626 -12.768 -8.670 1.00 0.00 H new ATOM 625 N ASN B 316 2.282 -13.231 -4.286 1.00 0.00 N ATOM 626 CA ASN B 316 2.809 -14.588 -4.455 1.00 0.00 C ATOM 627 C ASN B 316 3.079 -15.267 -3.111 1.00 0.00 C ATOM 628 O ASN B 316 2.568 -16.352 -2.847 1.00 0.00 O ATOM 629 CB ASN B 316 4.094 -14.559 -5.288 1.00 0.00 C ATOM 630 CG ASN B 316 3.822 -14.396 -6.771 1.00 0.00 C ATOM 631 OD1 ASN B 316 4.379 -13.349 -7.365 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 3.123 -15.208 -7.378 1.00 0.00 N flip ATOM 0 H ASN B 316 2.937 -12.495 -4.550 1.00 0.00 H new ATOM 0 HA ASN B 316 2.049 -15.169 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.726 -13.740 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.651 -15.482 -5.123 1.00 0.00 H new ATOM 0 HD21 ASN B 316 2.714 -16.000 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN B 316 2.954 -15.089 -8.377 1.00 0.00 H new ATOM 639 N ARG B 317 3.908 -14.630 -2.282 1.00 0.00 N ATOM 640 CA ARG B 317 4.275 -15.175 -0.972 1.00 0.00 C ATOM 641 C ARG B 317 3.053 -15.460 -0.099 1.00 0.00 C ATOM 642 O ARG B 317 3.007 -16.488 0.580 1.00 0.00 O ATOM 643 CB ARG B 317 5.232 -14.226 -0.243 1.00 0.00 C ATOM 644 CG ARG B 317 5.733 -14.747 1.101 1.00 0.00 C ATOM 645 CD ARG B 317 6.572 -16.014 0.963 1.00 0.00 C ATOM 646 NE ARG B 317 5.762 -17.202 0.683 1.00 0.00 N ATOM 647 CZ ARG B 317 6.266 -18.427 0.512 1.00 0.00 C ATOM 648 NH1 ARG B 317 7.576 -18.638 0.607 1.00 0.00 N ATOM 649 NH2 ARG B 317 5.453 -19.445 0.254 1.00 0.00 N ATOM 0 H ARG B 317 4.340 -13.731 -2.496 1.00 0.00 H new ATOM 0 HA ARG B 317 4.777 -16.125 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG B 317 6.090 -14.030 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.728 -13.272 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.327 -13.974 1.588 1.00 0.00 H new ATOM 0 HG3 ARG B 317 4.880 -14.949 1.749 1.00 0.00 H new ATOM 0 HD2 ARG B 317 7.299 -15.878 0.162 1.00 0.00 H new ATOM 0 HD3 ARG B 317 7.136 -16.173 1.882 1.00 0.00 H new ATOM 0 HE ARG B 317 4.751 -17.087 0.614 1.00 0.00 H new ATOM 0 HH11 ARG B 317 8.204 -17.861 0.812 1.00 0.00 H new ATOM 0 HH12 ARG B 317 7.952 -19.577 0.475 1.00 0.00 H new ATOM 0 HH21 ARG B 317 4.447 -19.290 0.187 1.00 0.00 H new ATOM 0 HH22 ARG B 317 5.835 -20.382 0.123 1.00 0.00 H new ATOM 663 N PHE B 318 2.059 -14.567 -0.114 1.00 0.00 N ATOM 664 CA PHE B 318 0.859 -14.778 0.688 1.00 0.00 C ATOM 665 C PHE B 318 -0.262 -15.364 -0.173 1.00 0.00 C ATOM 666 O PHE B 318 -1.441 -15.176 0.124 1.00 0.00 O ATOM 667 CB PHE B 318 0.376 -13.487 1.367 1.00 0.00 C ATOM 668 CG PHE B 318 1.446 -12.704 2.092 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.539 -12.193 1.418 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.323 -12.439 3.440 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.484 -11.431 2.064 1.00 0.00 C ATOM 672 CE2 PHE B 318 2.275 -11.684 4.103 1.00 0.00 C ATOM 673 CZ PHE B 318 3.356 -11.175 3.406 1.00 0.00 C ATOM 0 H PHE B 318 2.063 -13.707 -0.663 1.00 0.00 H new ATOM 0 HA PHE B 318 1.122 -15.484 1.475 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.073 -12.844 0.611 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.411 -13.741 2.078 1.00 0.00 H new ATOM 0 HD1 PHE B 318 2.653 -12.396 0.363 1.00 0.00 H new ATOM 0 HD2 PHE B 318 0.474 -12.825 3.985 1.00 0.00 H new ATOM 0 HE1 PHE B 318 4.326 -11.035 1.516 1.00 0.00 H new ATOM 0 HE2 PHE B 318 2.174 -11.493 5.161 1.00 0.00 H new ATOM 0 HZ PHE B 318 4.097 -10.578 3.917 1.00 0.00 H new ATOM 683 N GLN B 319 0.117 -16.081 -1.244 1.00 0.00 N ATOM 684 CA GLN B 319 -0.857 -16.711 -2.141 1.00 0.00 C ATOM 685 C GLN B 319 -1.878 -17.529 -1.352 1.00 0.00 C ATOM 686 O GLN B 319 -3.060 -17.563 -1.698 1.00 0.00 O ATOM 687 CB GLN B 319 -0.155 -17.588 -3.180 1.00 0.00 C ATOM 688 CG GLN B 319 0.794 -18.598 -2.568 1.00 0.00 C ATOM 689 CD GLN B 319 1.496 -19.494 -3.583 1.00 0.00 C ATOM 690 OE1 GLN B 319 1.244 -19.287 -4.877 1.00 0.00 O flip ATOM 691 NE2 GLN B 319 2.271 -20.373 -3.202 1.00 0.00 N flip ATOM 0 H GLN B 319 1.090 -16.237 -1.507 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.389 -15.917 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN B 319 -0.906 -18.115 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN B 319 0.399 -16.950 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN B 319 1.548 -18.066 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN B 319 0.239 -19.225 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN B 319 2.442 -20.505 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN B 319 2.742 -20.968 -3.883 1.00 0.00 H new ATOM 700 N GLY B 320 -1.412 -18.176 -0.276 1.00 0.00 N ATOM 701 CA GLY B 320 -2.291 -18.968 0.564 1.00 0.00 C ATOM 702 C GLY B 320 -2.984 -18.139 1.636 1.00 0.00 C ATOM 703 O GLY B 320 -3.564 -18.692 2.572 1.00 0.00 O ATOM 0 H GLY B 320 -0.437 -18.161 0.024 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.044 -19.451 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -1.714 -19.761 1.040 1.00 0.00 H new ATOM 707 N GLN B 321 -2.933 -16.808 1.495 1.00 0.00 N ATOM 708 CA GLN B 321 -3.563 -15.902 2.446 1.00 0.00 C ATOM 709 C GLN B 321 -4.291 -14.781 1.711 1.00 0.00 C ATOM 710 O GLN B 321 -3.803 -13.649 1.662 1.00 0.00 O ATOM 711 CB GLN B 321 -2.541 -15.249 3.384 1.00 0.00 C ATOM 712 CG GLN B 321 -1.529 -16.177 4.018 1.00 0.00 C ATOM 713 CD GLN B 321 -2.136 -17.277 4.887 1.00 0.00 C ATOM 714 OE1 GLN B 321 -3.419 -17.156 5.238 1.00 0.00 O flip ATOM 715 NE2 GLN B 321 -1.446 -18.223 5.264 1.00 0.00 N flip ATOM 0 H GLN B 321 -2.457 -16.339 0.724 1.00 0.00 H new ATOM 0 HA GLN B 321 -4.258 -16.504 3.031 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -2.002 -14.485 2.824 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -3.083 -14.738 4.180 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -0.936 -16.640 3.230 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -0.845 -15.586 4.627 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -0.469 -18.287 4.979 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -1.851 -18.943 5.862 1.00 0.00 H new ATOM 724 N PRO B 322 -5.478 -15.058 1.151 1.00 0.00 N ATOM 725 CA PRO B 322 -6.256 -14.030 0.457 1.00 0.00 C ATOM 726 C PRO B 322 -6.587 -12.869 1.398 1.00 0.00 C ATOM 727 O PRO B 322 -6.829 -11.746 0.954 1.00 0.00 O ATOM 728 CB PRO B 322 -7.533 -14.765 0.026 1.00 0.00 C ATOM 729 CG PRO B 322 -7.590 -15.990 0.873 1.00 0.00 C ATOM 730 CD PRO B 322 -6.165 -16.358 1.172 1.00 0.00 C ATOM 0 HA PRO B 322 -5.719 -13.591 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.415 -14.142 0.177 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.501 -15.021 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.145 -15.802 1.792 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.100 -16.800 0.352 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -6.069 -16.850 2.140 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.759 -17.041 0.426 1.00 0.00 H new ATOM 738 N ASP B 323 -6.581 -13.157 2.706 1.00 0.00 N ATOM 739 CA ASP B 323 -6.864 -12.162 3.731 1.00 0.00 C ATOM 740 C ASP B 323 -5.745 -11.127 3.840 1.00 0.00 C ATOM 741 O ASP B 323 -6.007 -9.966 4.139 1.00 0.00 O ATOM 742 CB ASP B 323 -7.080 -12.838 5.090 1.00 0.00 C ATOM 743 CG ASP B 323 -8.264 -13.790 5.093 1.00 0.00 C ATOM 744 OD1 ASP B 323 -8.224 -14.799 4.354 1.00 0.00 O ATOM 745 OD2 ASP B 323 -9.233 -13.528 5.836 1.00 0.00 O ATOM 0 H ASP B 323 -6.380 -14.086 3.076 1.00 0.00 H new ATOM 0 HA ASP B 323 -7.776 -11.643 3.436 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.179 -13.386 5.365 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.233 -12.073 5.851 1.00 0.00 H new ATOM 750 N ILE B 324 -4.496 -11.549 3.607 1.00 0.00 N ATOM 751 CA ILE B 324 -3.353 -10.642 3.699 1.00 0.00 C ATOM 752 C ILE B 324 -3.367 -9.637 2.576 1.00 0.00 C ATOM 753 O ILE B 324 -3.187 -8.439 2.786 1.00 0.00 O ATOM 754 CB ILE B 324 -2.012 -11.393 3.636 1.00 0.00 C ATOM 755 CG1 ILE B 324 -2.002 -12.519 4.659 1.00 0.00 C ATOM 756 CG2 ILE B 324 -0.865 -10.411 3.851 1.00 0.00 C ATOM 757 CD1 ILE B 324 -2.438 -12.090 6.025 1.00 0.00 C ATOM 0 H ILE B 324 -4.255 -12.508 3.355 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.445 -10.141 4.663 1.00 0.00 H new ATOM 0 HB ILE B 324 -1.882 -11.844 2.652 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -2.656 -13.319 4.313 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -0.996 -12.934 4.721 1.00 0.00 H new ATOM 0 HG21 ILE B 324 0.084 -10.945 3.806 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -0.889 -9.647 3.073 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -0.969 -9.938 4.827 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -2.406 -12.944 6.702 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -1.770 -11.311 6.392 1.00 0.00 H new ATOM 0 HD13 ILE B 324 -3.456 -11.703 5.977 1.00 0.00 H new ATOM 769 N TYR B 325 -3.567 -10.151 1.380 1.00 0.00 N ATOM 770 CA TYR B 325 -3.591 -9.319 0.190 1.00 0.00 C ATOM 771 C TYR B 325 -4.766 -8.350 0.253 1.00 0.00 C ATOM 772 O TYR B 325 -4.590 -7.147 0.071 1.00 0.00 O ATOM 773 CB TYR B 325 -3.668 -10.188 -1.067 1.00 0.00 C ATOM 774 CG TYR B 325 -3.005 -9.559 -2.271 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.680 -9.131 -2.214 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.697 -9.405 -3.467 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.070 -8.563 -3.322 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.092 -8.838 -4.571 1.00 0.00 C ATOM 779 CZ TYR B 325 -1.783 -8.421 -4.495 1.00 0.00 C ATOM 780 OH TYR B 325 -1.179 -7.864 -5.599 1.00 0.00 O ATOM 0 H TYR B 325 -3.716 -11.145 1.204 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.669 -8.740 0.145 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.199 -11.151 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.714 -10.386 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.122 -9.243 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.724 -9.734 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.043 -8.234 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.645 -8.722 -5.492 1.00 0.00 H new ATOM 0 HH TYR B 325 -1.764 -7.967 -6.379 1.00 0.00 H new ATOM 790 N LYS B 326 -5.958 -8.874 0.544 1.00 0.00 N ATOM 791 CA LYS B 326 -7.152 -8.038 0.665 1.00 0.00 C ATOM 792 C LYS B 326 -6.989 -7.032 1.803 1.00 0.00 C ATOM 793 O LYS B 326 -7.224 -5.838 1.621 1.00 0.00 O ATOM 794 CB LYS B 326 -8.398 -8.899 0.894 1.00 0.00 C ATOM 795 CG LYS B 326 -8.758 -9.774 -0.294 1.00 0.00 C ATOM 796 CD LYS B 326 -9.983 -10.629 -0.008 1.00 0.00 C ATOM 797 CE LYS B 326 -10.367 -11.479 -1.211 1.00 0.00 C ATOM 798 NZ LYS B 326 -9.284 -12.426 -1.606 1.00 0.00 N ATOM 0 H LYS B 326 -6.121 -9.869 0.699 1.00 0.00 H new ATOM 0 HA LYS B 326 -7.278 -7.491 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.236 -9.533 1.766 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.242 -8.249 1.125 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.947 -9.146 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -7.914 -10.418 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -9.784 -11.276 0.847 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -10.820 -9.987 0.266 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -11.272 -12.041 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -10.602 -10.828 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -8.929 -12.173 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -8.507 -12.371 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -9.661 -13.395 -1.626 1.00 0.00 H new ATOM 812 N ALA B 327 -6.569 -7.524 2.976 1.00 0.00 N ATOM 813 CA ALA B 327 -6.360 -6.667 4.144 1.00 0.00 C ATOM 814 C ALA B 327 -5.342 -5.575 3.842 1.00 0.00 C ATOM 815 O ALA B 327 -5.618 -4.395 4.038 1.00 0.00 O ATOM 816 CB ALA B 327 -5.904 -7.490 5.342 1.00 0.00 C ATOM 0 H ALA B 327 -6.368 -8.511 3.138 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.312 -6.195 4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.755 -6.833 6.199 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.664 -8.234 5.583 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.967 -7.993 5.103 1.00 0.00 H new ATOM 822 N PHE B 328 -4.168 -5.981 3.349 1.00 0.00 N ATOM 823 CA PHE B 328 -3.098 -5.043 3.004 1.00 0.00 C ATOM 824 C PHE B 328 -3.627 -3.929 2.107 1.00 0.00 C ATOM 825 O PHE B 328 -3.419 -2.749 2.384 1.00 0.00 O ATOM 826 CB PHE B 328 -1.960 -5.786 2.291 1.00 0.00 C ATOM 827 CG PHE B 328 -0.823 -4.908 1.832 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.654 -3.629 2.340 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.085 -5.374 0.894 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.392 -2.833 1.919 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.135 -4.580 0.472 1.00 0.00 C ATOM 832 CZ PHE B 328 1.288 -3.309 0.985 1.00 0.00 C ATOM 0 H PHE B 328 -3.935 -6.959 3.179 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.719 -4.599 3.925 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.564 -6.547 2.963 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.371 -6.307 1.426 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.350 -3.251 3.074 1.00 0.00 H new ATOM 0 HD2 PHE B 328 -0.029 -6.368 0.488 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.509 -1.837 2.321 1.00 0.00 H new ATOM 0 HE2 PHE B 328 1.836 -4.955 -0.259 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.108 -2.688 0.656 1.00 0.00 H new ATOM 842 N LEU B 329 -4.317 -4.308 1.035 1.00 0.00 N ATOM 843 CA LEU B 329 -4.872 -3.326 0.112 1.00 0.00 C ATOM 844 C LEU B 329 -5.863 -2.408 0.828 1.00 0.00 C ATOM 845 O LEU B 329 -5.741 -1.186 0.757 1.00 0.00 O ATOM 846 CB LEU B 329 -5.530 -4.010 -1.090 1.00 0.00 C ATOM 847 CG LEU B 329 -4.586 -4.865 -1.948 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.297 -5.353 -3.202 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.325 -4.090 -2.310 1.00 0.00 C ATOM 0 H LEU B 329 -4.503 -5.279 0.786 1.00 0.00 H new ATOM 0 HA LEU B 329 -4.051 -2.714 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.342 -4.642 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -5.979 -3.245 -1.723 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.289 -5.734 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.612 -5.957 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.160 -5.956 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -5.629 -4.496 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.674 -4.718 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.596 -3.197 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.802 -3.800 -1.399 1.00 0.00 H new ATOM 861 N GLU B 330 -6.830 -2.995 1.540 1.00 0.00 N ATOM 862 CA GLU B 330 -7.818 -2.207 2.283 1.00 0.00 C ATOM 863 C GLU B 330 -7.125 -1.268 3.275 1.00 0.00 C ATOM 864 O GLU B 330 -7.599 -0.156 3.516 1.00 0.00 O ATOM 865 CB GLU B 330 -8.805 -3.121 3.016 1.00 0.00 C ATOM 866 CG GLU B 330 -9.661 -3.975 2.086 1.00 0.00 C ATOM 867 CD GLU B 330 -10.575 -3.165 1.173 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.625 -1.922 1.307 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.253 -3.781 0.324 1.00 0.00 O ATOM 0 H GLU B 330 -6.949 -4.005 1.617 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.376 -1.604 1.566 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.249 -3.776 3.687 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.459 -2.509 3.637 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -9.007 -4.595 1.473 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -10.270 -4.651 2.686 1.00 0.00 H new ATOM 876 N ILE B 331 -5.984 -1.709 3.817 1.00 0.00 N ATOM 877 CA ILE B 331 -5.202 -0.897 4.746 1.00 0.00 C ATOM 878 C ILE B 331 -4.795 0.401 4.054 1.00 0.00 C ATOM 879 O ILE B 331 -5.032 1.499 4.563 1.00 0.00 O ATOM 880 CB ILE B 331 -3.944 -1.657 5.216 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.344 -2.818 6.121 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.975 -0.732 5.940 1.00 0.00 C ATOM 883 CD1 ILE B 331 -3.260 -3.855 6.273 1.00 0.00 C ATOM 0 H ILE B 331 -5.584 -2.627 3.625 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.812 -0.676 5.622 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.435 -2.048 4.335 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.606 -2.429 7.105 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -5.238 -3.293 5.717 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -2.100 -1.299 6.258 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.665 0.068 5.268 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.466 -0.302 6.813 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.609 -4.653 6.929 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -3.014 -4.270 5.296 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.372 -3.393 6.705 1.00 0.00 H new ATOM 895 N LEU B 332 -4.202 0.246 2.871 1.00 0.00 N ATOM 896 CA LEU B 332 -3.773 1.373 2.050 1.00 0.00 C ATOM 897 C LEU B 332 -4.971 2.215 1.631 1.00 0.00 C ATOM 898 O LEU B 332 -4.976 3.435 1.778 1.00 0.00 O ATOM 899 CB LEU B 332 -3.074 0.862 0.791 1.00 0.00 C ATOM 900 CG LEU B 332 -2.011 -0.211 1.014 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.378 -0.609 -0.305 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.964 0.279 1.995 1.00 0.00 C ATOM 0 H LEU B 332 -4.006 -0.665 2.456 1.00 0.00 H new ATOM 0 HA LEU B 332 -3.088 1.982 2.640 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.830 0.464 0.114 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.609 1.709 0.287 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.487 -1.094 1.441 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.622 -1.375 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.145 -1.002 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.911 0.263 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU B 332 -0.213 -0.497 2.144 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.486 1.175 1.600 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -1.439 0.512 2.948 1.00 0.00 H new ATOM 914 N HIS B 333 -5.978 1.535 1.089 1.00 0.00 N ATOM 915 CA HIS B 333 -7.198 2.191 0.611 1.00 0.00 C ATOM 916 C HIS B 333 -7.758 3.176 1.641 1.00 0.00 C ATOM 917 O HIS B 333 -8.131 4.296 1.286 1.00 0.00 O ATOM 918 CB HIS B 333 -8.262 1.147 0.258 1.00 0.00 C ATOM 919 CG HIS B 333 -7.998 0.429 -1.029 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.870 1.076 -2.242 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.842 -0.887 -1.290 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.648 0.186 -3.192 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.626 -1.014 -2.639 1.00 0.00 N ATOM 0 H HIS B 333 -5.975 0.522 0.968 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.933 2.756 -0.283 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.323 0.417 1.065 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.233 1.638 0.197 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.880 -1.691 -0.570 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.508 0.402 -4.241 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.473 -1.892 -3.135 1.00 0.00 H new ATOM 932 N THR B 334 -7.793 2.774 2.912 1.00 0.00 N ATOM 933 CA THR B 334 -8.287 3.649 3.979 1.00 0.00 C ATOM 934 C THR B 334 -7.426 4.911 4.075 1.00 0.00 C ATOM 935 O THR B 334 -7.943 6.014 4.249 1.00 0.00 O ATOM 936 CB THR B 334 -8.290 2.907 5.322 1.00 0.00 C ATOM 937 OG1 THR B 334 -9.224 1.843 5.305 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.620 3.794 6.510 1.00 0.00 C ATOM 0 H THR B 334 -7.487 1.854 3.228 1.00 0.00 H new ATOM 0 HA THR B 334 -9.310 3.941 3.740 1.00 0.00 H new ATOM 0 HB THR B 334 -7.271 2.539 5.444 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.861 1.098 4.782 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.603 3.200 7.424 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.882 4.593 6.583 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.612 4.226 6.377 1.00 0.00 H new ATOM 946 N TYR B 335 -6.109 4.724 3.958 1.00 0.00 N ATOM 947 CA TYR B 335 -5.147 5.823 4.024 1.00 0.00 C ATOM 948 C TYR B 335 -5.418 6.883 2.947 1.00 0.00 C ATOM 949 O TYR B 335 -5.623 8.048 3.266 1.00 0.00 O ATOM 950 CB TYR B 335 -3.728 5.258 3.909 1.00 0.00 C ATOM 951 CG TYR B 335 -2.627 6.293 3.854 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.239 6.857 2.647 1.00 0.00 C ATOM 953 CD2 TYR B 335 -1.966 6.688 5.004 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.223 7.785 2.587 1.00 0.00 C ATOM 955 CE2 TYR B 335 -0.949 7.623 4.955 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.579 8.166 3.742 1.00 0.00 C ATOM 957 OH TYR B 335 0.436 9.094 3.688 1.00 0.00 O ATOM 0 H TYR B 335 -5.682 3.809 3.815 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.255 6.326 4.985 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.545 4.601 4.759 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.671 4.642 3.012 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -2.743 6.563 1.738 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -2.249 6.259 5.954 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -0.933 8.212 1.638 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -0.447 7.927 5.862 1.00 0.00 H new ATOM 0 HH TYR B 335 0.462 9.600 4.527 1.00 0.00 H new ATOM 967 N GLN B 336 -5.423 6.485 1.673 1.00 0.00 N ATOM 968 CA GLN B 336 -5.680 7.442 0.589 1.00 0.00 C ATOM 969 C GLN B 336 -6.965 8.240 0.832 1.00 0.00 C ATOM 970 O GLN B 336 -6.993 9.452 0.623 1.00 0.00 O ATOM 971 CB GLN B 336 -5.768 6.738 -0.769 1.00 0.00 C ATOM 972 CG GLN B 336 -4.443 6.199 -1.286 1.00 0.00 C ATOM 973 CD GLN B 336 -3.355 7.261 -1.360 1.00 0.00 C ATOM 974 OE1 GLN B 336 -2.888 7.760 -0.336 1.00 0.00 O ATOM 975 NE2 GLN B 336 -2.953 7.622 -2.575 1.00 0.00 N ATOM 0 H GLN B 336 -5.256 5.526 1.368 1.00 0.00 H new ATOM 0 HA GLN B 336 -4.837 8.132 0.577 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.476 5.913 -0.691 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.172 7.437 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -4.109 5.389 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.593 5.772 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -3.365 7.185 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -2.233 8.336 -2.683 1.00 0.00 H new ATOM 984 N LYS B 337 -8.025 7.552 1.259 1.00 0.00 N ATOM 985 CA LYS B 337 -9.320 8.196 1.509 1.00 0.00 C ATOM 986 C LYS B 337 -9.253 9.241 2.629 1.00 0.00 C ATOM 987 O LYS B 337 -9.685 10.378 2.435 1.00 0.00 O ATOM 988 CB LYS B 337 -10.385 7.144 1.833 1.00 0.00 C ATOM 989 CG LYS B 337 -10.677 6.200 0.675 1.00 0.00 C ATOM 990 CD LYS B 337 -11.763 5.192 1.023 1.00 0.00 C ATOM 991 CE LYS B 337 -11.344 4.281 2.166 1.00 0.00 C ATOM 992 NZ LYS B 337 -12.387 3.265 2.482 1.00 0.00 N ATOM 0 H LYS B 337 -8.014 6.548 1.440 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.593 8.722 0.594 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.058 6.560 2.694 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.307 7.649 2.122 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -10.985 6.779 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -9.765 5.670 0.400 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -12.676 5.721 1.296 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -11.995 4.590 0.145 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.414 3.776 1.905 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.143 4.882 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -12.061 2.665 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -13.268 3.745 2.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.561 2.674 1.644 1.00 0.00 H new ATOM 1006 N GLU B 338 -8.734 8.853 3.801 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.644 9.774 4.946 1.00 0.00 C ATOM 1008 C GLU B 338 -7.925 11.082 4.591 1.00 0.00 C ATOM 1009 O GLU B 338 -8.203 12.121 5.193 1.00 0.00 O ATOM 1010 CB GLU B 338 -7.994 9.094 6.165 1.00 0.00 C ATOM 1011 CG GLU B 338 -6.678 8.367 5.888 1.00 0.00 C ATOM 1012 CD GLU B 338 -5.453 9.274 5.801 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -5.577 10.497 6.015 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -4.353 8.744 5.536 1.00 0.00 O ATOM 0 H GLU B 338 -8.372 7.917 3.983 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.667 10.039 5.214 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.817 9.850 6.930 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -8.703 8.379 6.582 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -6.513 7.631 6.675 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -6.773 7.817 4.952 1.00 0.00 H new ATOM 1220 N LEU B 353 -6.691 7.275 9.364 1.00 0.00 N ATOM 1221 CA LEU B 353 -5.458 6.531 9.121 1.00 0.00 C ATOM 1222 C LEU B 353 -4.320 7.461 8.720 1.00 0.00 C ATOM 1223 O LEU B 353 -4.531 8.602 8.315 1.00 0.00 O ATOM 1224 CB LEU B 353 -5.626 5.525 7.971 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.754 4.050 8.350 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.080 3.748 9.032 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.554 3.181 7.117 1.00 0.00 C ATOM 0 HA LEU B 353 -5.230 6.017 10.055 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -6.512 5.806 7.402 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -4.772 5.630 7.302 1.00 0.00 H new ATOM 0 HG LEU B 353 -4.974 3.818 9.075 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.127 2.688 9.283 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.164 4.341 9.943 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -7.900 3.998 8.359 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.646 2.131 7.393 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.310 3.428 6.371 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.562 3.361 6.702 1.00 0.00 H new ATOM 1239 N THR B 354 -3.116 6.919 8.809 1.00 0.00 N ATOM 1240 CA THR B 354 -1.891 7.605 8.428 1.00 0.00 C ATOM 1241 C THR B 354 -0.859 6.540 8.079 1.00 0.00 C ATOM 1242 O THR B 354 -1.157 5.345 8.182 1.00 0.00 O ATOM 1243 CB THR B 354 -1.367 8.503 9.562 1.00 0.00 C ATOM 1244 OG1 THR B 354 -0.972 7.735 10.687 1.00 0.00 O ATOM 1245 CG2 THR B 354 -2.376 9.527 10.041 1.00 0.00 C ATOM 0 H THR B 354 -2.959 5.972 9.155 1.00 0.00 H new ATOM 0 HA THR B 354 -2.086 8.255 7.575 1.00 0.00 H new ATOM 0 HB THR B 354 -0.517 9.028 9.127 1.00 0.00 H new ATOM 0 HG1 THR B 354 -1.618 7.013 10.833 1.00 0.00 H new ATOM 0 HG21 THR B 354 -1.937 10.124 10.841 1.00 0.00 H new ATOM 0 HG22 THR B 354 -2.654 10.179 9.213 1.00 0.00 H new ATOM 0 HG23 THR B 354 -3.263 9.016 10.415 1.00 0.00 H new ATOM 1253 N GLU B 355 0.350 6.936 7.702 1.00 0.00 N ATOM 1254 CA GLU B 355 1.384 5.950 7.400 1.00 0.00 C ATOM 1255 C GLU B 355 1.557 5.012 8.603 1.00 0.00 C ATOM 1256 O GLU B 355 1.941 3.852 8.450 1.00 0.00 O ATOM 1257 CB GLU B 355 2.700 6.636 7.029 1.00 0.00 C ATOM 1258 CG GLU B 355 2.633 7.363 5.694 1.00 0.00 C ATOM 1259 CD GLU B 355 3.768 8.347 5.497 1.00 0.00 C ATOM 1260 OE1 GLU B 355 3.763 9.397 6.175 1.00 0.00 O ATOM 1261 OE2 GLU B 355 4.665 8.067 4.674 1.00 0.00 O ATOM 0 H GLU B 355 0.637 7.909 7.599 1.00 0.00 H new ATOM 0 HA GLU B 355 1.078 5.358 6.537 1.00 0.00 H new ATOM 0 HB2 GLU B 355 2.966 7.347 7.811 1.00 0.00 H new ATOM 0 HB3 GLU B 355 3.494 5.891 6.992 1.00 0.00 H new ATOM 0 HG2 GLU B 355 2.650 6.631 4.887 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.683 7.893 5.623 1.00 0.00 H new ATOM 1268 N GLN B 356 1.222 5.529 9.799 1.00 0.00 N ATOM 1269 CA GLN B 356 1.284 4.759 11.040 1.00 0.00 C ATOM 1270 C GLN B 356 0.312 3.579 10.991 1.00 0.00 C ATOM 1271 O GLN B 356 0.664 2.468 11.380 1.00 0.00 O ATOM 1272 CB GLN B 356 0.950 5.649 12.243 1.00 0.00 C ATOM 1273 CG GLN B 356 1.923 6.799 12.454 1.00 0.00 C ATOM 1274 CD GLN B 356 3.302 6.333 12.883 1.00 0.00 C ATOM 1275 OE1 GLN B 356 3.973 5.597 12.163 1.00 0.00 O ATOM 1276 NE2 GLN B 356 3.734 6.759 14.068 1.00 0.00 N ATOM 0 H GLN B 356 0.903 6.489 9.925 1.00 0.00 H new ATOM 0 HA GLN B 356 2.300 4.378 11.149 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.053 6.055 12.113 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.931 5.034 13.142 1.00 0.00 H new ATOM 0 HG2 GLN B 356 2.009 7.370 11.530 1.00 0.00 H new ATOM 0 HG3 GLN B 356 1.522 7.474 13.210 1.00 0.00 H new ATOM 0 HE21 GLN B 356 3.146 7.369 14.636 1.00 0.00 H new ATOM 0 HE22 GLN B 356 4.653 6.475 14.408 1.00 0.00 H new ATOM 1285 N GLU B 357 -0.911 3.826 10.493 1.00 0.00 N ATOM 1286 CA GLU B 357 -1.926 2.780 10.378 1.00 0.00 C ATOM 1287 C GLU B 357 -1.543 1.800 9.278 1.00 0.00 C ATOM 1288 O GLU B 357 -1.702 0.589 9.416 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.282 3.383 9.995 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.163 3.898 11.136 1.00 0.00 C ATOM 1291 CD GLU B 357 -3.580 5.072 11.911 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -2.583 5.666 11.457 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -4.147 5.416 12.969 1.00 0.00 O ATOM 0 H GLU B 357 -1.215 4.743 10.165 1.00 0.00 H new ATOM 0 HA GLU B 357 -1.992 2.278 11.343 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.103 4.209 9.307 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -3.845 2.628 9.447 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -5.128 4.195 10.726 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -4.350 3.079 11.830 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.067 2.362 8.172 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.680 1.586 7.000 1.00 0.00 C ATOM 1302 C VAL B 358 0.428 0.593 7.325 1.00 0.00 C ATOM 1303 O VAL B 358 0.233 -0.618 7.216 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.217 2.542 5.881 1.00 0.00 C ATOM 1305 CG1 VAL B 358 0.039 1.803 4.581 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.243 3.645 5.688 1.00 0.00 C ATOM 0 H VAL B 358 -0.939 3.368 8.063 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.548 1.017 6.667 1.00 0.00 H new ATOM 0 HB VAL B 358 0.730 2.988 6.185 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.363 2.511 3.818 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.816 1.054 4.735 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -0.878 1.312 4.255 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -0.910 4.317 4.897 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.202 3.206 5.412 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.354 4.205 6.616 1.00 0.00 H new ATOM 1316 N TYR B 359 1.580 1.107 7.747 1.00 0.00 N ATOM 1317 CA TYR B 359 2.712 0.264 8.114 1.00 0.00 C ATOM 1318 C TYR B 359 2.347 -0.691 9.250 1.00 0.00 C ATOM 1319 O TYR B 359 2.788 -1.840 9.269 1.00 0.00 O ATOM 1320 CB TYR B 359 3.903 1.128 8.533 1.00 0.00 C ATOM 1321 CG TYR B 359 5.132 0.328 8.905 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.869 -0.344 7.938 1.00 0.00 C ATOM 1323 CD2 TYR B 359 5.547 0.238 10.226 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.986 -1.081 8.275 1.00 0.00 C ATOM 1325 CE2 TYR B 359 6.665 -0.496 10.574 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.382 -1.154 9.595 1.00 0.00 C ATOM 1327 OH TYR B 359 8.495 -1.887 9.937 1.00 0.00 O ATOM 0 H TYR B 359 1.754 2.108 7.843 1.00 0.00 H new ATOM 0 HA TYR B 359 2.982 -0.328 7.239 1.00 0.00 H new ATOM 0 HB2 TYR B 359 4.154 1.805 7.717 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.612 1.746 9.382 1.00 0.00 H new ATOM 0 HD1 TYR B 359 5.562 -0.289 6.904 1.00 0.00 H new ATOM 0 HD2 TYR B 359 4.987 0.750 10.995 1.00 0.00 H new ATOM 0 HE1 TYR B 359 7.547 -1.598 7.510 1.00 0.00 H new ATOM 0 HE2 TYR B 359 6.976 -0.555 11.607 1.00 0.00 H new ATOM 0 HH TYR B 359 8.637 -1.834 10.905 1.00 0.00 H new ATOM 1337 N ALA B 360 1.561 -0.192 10.206 1.00 0.00 N ATOM 1338 CA ALA B 360 1.154 -0.983 11.372 1.00 0.00 C ATOM 1339 C ALA B 360 0.327 -2.212 10.997 1.00 0.00 C ATOM 1340 O ALA B 360 0.640 -3.326 11.420 1.00 0.00 O ATOM 1341 CB ALA B 360 0.390 -0.116 12.360 1.00 0.00 C ATOM 0 H ALA B 360 1.192 0.759 10.197 1.00 0.00 H new ATOM 0 HA ALA B 360 2.069 -1.348 11.839 1.00 0.00 H new ATOM 0 HB1 ALA B 360 0.095 -0.718 13.220 1.00 0.00 H new ATOM 0 HB2 ALA B 360 1.026 0.704 12.692 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.500 0.288 11.877 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.736 -2.005 10.217 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.614 -3.104 9.812 1.00 0.00 C ATOM 1349 C GLN B 361 -0.882 -4.100 8.911 1.00 0.00 C ATOM 1350 O GLN B 361 -1.064 -5.310 9.047 1.00 0.00 O ATOM 1351 CB GLN B 361 -2.862 -2.565 9.109 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.722 -1.674 9.995 1.00 0.00 C ATOM 1353 CD GLN B 361 -4.954 -1.148 9.282 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -5.825 -1.918 8.873 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -5.035 0.169 9.126 1.00 0.00 N ATOM 0 H GLN B 361 -1.009 -1.091 9.855 1.00 0.00 H new ATOM 0 HA GLN B 361 -1.921 -3.632 10.714 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.557 -2.001 8.227 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.463 -3.404 8.759 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.030 -2.236 10.877 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.124 -0.833 10.346 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -4.292 0.771 9.480 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -5.841 0.578 8.652 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.037 -3.594 8.010 1.00 0.00 N ATOM 1365 CA VAL B 362 0.734 -4.459 7.116 1.00 0.00 C ATOM 1366 C VAL B 362 1.745 -5.275 7.923 1.00 0.00 C ATOM 1367 O VAL B 362 1.928 -6.468 7.678 1.00 0.00 O ATOM 1368 CB VAL B 362 1.480 -3.649 6.030 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.185 -4.576 5.049 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.522 -2.725 5.295 1.00 0.00 C ATOM 0 H VAL B 362 0.130 -2.596 7.881 1.00 0.00 H new ATOM 0 HA VAL B 362 0.029 -5.124 6.617 1.00 0.00 H new ATOM 0 HB VAL B 362 2.235 -3.039 6.525 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.702 -3.983 4.295 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.908 -5.191 5.585 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.450 -5.219 4.564 1.00 0.00 H new ATOM 0 HG21 VAL B 362 1.068 -2.165 4.536 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.260 -3.316 4.818 1.00 0.00 H new ATOM 0 HG23 VAL B 362 0.070 -2.031 6.004 1.00 0.00 H new ATOM 1380 N ALA B 363 2.384 -4.617 8.896 1.00 0.00 N ATOM 1381 CA ALA B 363 3.365 -5.269 9.766 1.00 0.00 C ATOM 1382 C ALA B 363 2.774 -6.501 10.450 1.00 0.00 C ATOM 1383 O ALA B 363 3.481 -7.480 10.689 1.00 0.00 O ATOM 1384 CB ALA B 363 3.891 -4.287 10.805 1.00 0.00 C ATOM 0 H ALA B 363 2.237 -3.628 9.100 1.00 0.00 H new ATOM 0 HA ALA B 363 4.195 -5.600 9.141 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.619 -4.788 11.443 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.368 -3.446 10.302 1.00 0.00 H new ATOM 0 HB3 ALA B 363 3.063 -3.924 11.414 1.00 0.00 H new ATOM 1390 N ARG B 364 1.473 -6.446 10.755 1.00 0.00 N ATOM 1391 CA ARG B 364 0.785 -7.562 11.401 1.00 0.00 C ATOM 1392 C ARG B 364 0.649 -8.734 10.434 1.00 0.00 C ATOM 1393 O ARG B 364 0.848 -9.891 10.811 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.593 -7.119 11.898 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.530 -6.043 12.969 1.00 0.00 C ATOM 1396 CD ARG B 364 -1.918 -5.573 13.375 1.00 0.00 C ATOM 1397 NE ARG B 364 -1.873 -4.553 14.423 1.00 0.00 N ATOM 1398 CZ ARG B 364 -1.464 -4.778 15.677 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -1.103 -6.001 16.065 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -1.427 -3.778 16.550 1.00 0.00 N ATOM 0 H ARG B 364 0.878 -5.640 10.564 1.00 0.00 H new ATOM 0 HA ARG B 364 1.376 -7.887 12.257 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.174 -6.747 11.054 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.124 -7.985 12.294 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -0.006 -6.430 13.843 1.00 0.00 H new ATOM 0 HG3 ARG B 364 0.048 -5.196 12.600 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.433 -5.172 12.502 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -2.500 -6.425 13.725 1.00 0.00 H new ATOM 0 HE ARG B 364 -2.173 -3.608 14.182 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -1.137 -6.777 15.404 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -0.793 -6.161 17.023 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -1.710 -2.841 16.264 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -1.116 -3.947 17.506 1.00 0.00 H new ATOM 1414 N LEU B 365 0.324 -8.422 9.182 1.00 0.00 N ATOM 1415 CA LEU B 365 0.180 -9.437 8.144 1.00 0.00 C ATOM 1416 C LEU B 365 1.521 -10.118 7.867 1.00 0.00 C ATOM 1417 O LEU B 365 1.591 -11.338 7.708 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.339 -8.807 6.844 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.639 -8.006 6.965 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -2.023 -7.384 5.628 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.764 -8.881 7.499 1.00 0.00 C ATOM 0 H LEU B 365 0.155 -7.469 8.861 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.535 -10.179 8.499 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.435 -8.150 6.446 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.490 -9.601 6.113 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.472 -7.197 7.676 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.949 -6.821 5.741 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -1.229 -6.714 5.297 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -2.165 -8.171 4.888 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.678 -8.292 7.577 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.928 -9.717 6.819 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.493 -9.262 8.484 1.00 0.00 H new ATOM 1433 N PHE B 366 2.576 -9.303 7.770 1.00 0.00 N ATOM 1434 CA PHE B 366 3.917 -9.788 7.466 1.00 0.00 C ATOM 1435 C PHE B 366 4.730 -10.170 8.710 1.00 0.00 C ATOM 1436 O PHE B 366 5.949 -10.317 8.621 1.00 0.00 O ATOM 1437 CB PHE B 366 4.656 -8.705 6.691 1.00 0.00 C ATOM 1438 CG PHE B 366 4.020 -8.319 5.381 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.758 -8.776 5.026 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.691 -7.487 4.503 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.186 -8.414 3.827 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.123 -7.123 3.302 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.868 -7.589 2.965 1.00 0.00 C ATOM 0 H PHE B 366 2.520 -8.293 7.900 1.00 0.00 H new ATOM 0 HA PHE B 366 3.808 -10.701 6.880 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.731 -7.817 7.318 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.673 -9.046 6.498 1.00 0.00 H new ATOM 0 HD1 PHE B 366 2.217 -9.424 5.700 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.672 -7.118 4.762 1.00 0.00 H new ATOM 0 HE1 PHE B 366 1.204 -8.778 3.564 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.659 -6.474 2.625 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.422 -7.305 2.023 1.00 0.00 H new ATOM 1453 N LYS B 367 4.074 -10.323 9.864 1.00 0.00 N ATOM 1454 CA LYS B 367 4.774 -10.685 11.104 1.00 0.00 C ATOM 1455 C LYS B 367 5.696 -11.897 10.916 1.00 0.00 C ATOM 1456 O LYS B 367 6.760 -11.972 11.534 1.00 0.00 O ATOM 1457 CB LYS B 367 3.774 -10.961 12.229 1.00 0.00 C ATOM 1458 CG LYS B 367 3.091 -9.707 12.751 1.00 0.00 C ATOM 1459 CD LYS B 367 2.053 -10.028 13.816 1.00 0.00 C ATOM 1460 CE LYS B 367 2.687 -10.656 15.049 1.00 0.00 C ATOM 1461 NZ LYS B 367 1.681 -10.940 16.109 1.00 0.00 N ATOM 0 H LYS B 367 3.066 -10.203 9.967 1.00 0.00 H new ATOM 0 HA LYS B 367 5.397 -9.833 11.376 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.015 -11.656 11.868 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.291 -11.453 13.052 1.00 0.00 H new ATOM 0 HG2 LYS B 367 3.840 -9.032 13.165 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.612 -9.183 11.924 1.00 0.00 H new ATOM 0 HD2 LYS B 367 1.530 -9.115 14.101 1.00 0.00 H new ATOM 0 HD3 LYS B 367 1.307 -10.708 13.404 1.00 0.00 H new ATOM 0 HE2 LYS B 367 3.188 -11.582 14.767 1.00 0.00 H new ATOM 0 HE3 LYS B 367 3.451 -9.987 15.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 2.154 -11.367 16.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 1.220 -10.053 16.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 0.965 -11.599 15.741 1.00 0.00 H new ATOM 1475 N ASN B 368 5.280 -12.847 10.075 1.00 0.00 N ATOM 1476 CA ASN B 368 6.068 -14.059 9.820 1.00 0.00 C ATOM 1477 C ASN B 368 7.136 -13.859 8.732 1.00 0.00 C ATOM 1478 O ASN B 368 7.884 -14.789 8.424 1.00 0.00 O ATOM 1479 CB ASN B 368 5.139 -15.217 9.436 1.00 0.00 C ATOM 1480 CG ASN B 368 4.357 -14.947 8.162 1.00 0.00 C ATOM 1481 OD1 ASN B 368 4.931 -14.846 7.078 1.00 0.00 O ATOM 1482 ND2 ASN B 368 3.040 -14.822 8.287 1.00 0.00 N ATOM 0 H ASN B 368 4.402 -12.802 9.558 1.00 0.00 H new ATOM 0 HA ASN B 368 6.596 -14.295 10.744 1.00 0.00 H new ATOM 0 HB2 ASN B 368 5.730 -16.124 9.309 1.00 0.00 H new ATOM 0 HB3 ASN B 368 4.441 -15.403 10.253 1.00 0.00 H new ATOM 0 HD21 ASN B 368 2.465 -14.635 7.465 1.00 0.00 H new ATOM 0 HD22 ASN B 368 2.604 -14.913 9.205 1.00 0.00 H new ATOM 1489 N GLN B 369 7.205 -12.659 8.147 1.00 0.00 N ATOM 1490 CA GLN B 369 8.181 -12.371 7.094 1.00 0.00 C ATOM 1491 C GLN B 369 8.626 -10.908 7.120 1.00 0.00 C ATOM 1492 O GLN B 369 8.168 -10.086 6.320 1.00 0.00 O ATOM 1493 CB GLN B 369 7.611 -12.738 5.719 1.00 0.00 C ATOM 1494 CG GLN B 369 6.161 -12.324 5.521 1.00 0.00 C ATOM 1495 CD GLN B 369 5.557 -12.935 4.275 1.00 0.00 C ATOM 1496 OE1 GLN B 369 6.014 -12.680 3.164 1.00 0.00 O ATOM 1497 NE2 GLN B 369 4.523 -13.753 4.451 1.00 0.00 N ATOM 0 H GLN B 369 6.598 -11.874 8.385 1.00 0.00 H new ATOM 0 HA GLN B 369 9.062 -12.984 7.284 1.00 0.00 H new ATOM 0 HB2 GLN B 369 8.221 -12.269 4.947 1.00 0.00 H new ATOM 0 HB3 GLN B 369 7.693 -13.816 5.579 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.577 -12.625 6.391 1.00 0.00 H new ATOM 0 HG3 GLN B 369 6.101 -11.238 5.457 1.00 0.00 H new ATOM 0 HE21 GLN B 369 4.174 -13.939 5.391 1.00 0.00 H new ATOM 0 HE22 GLN B 369 4.079 -14.195 3.646 1.00 0.00 H new ATOM 1506 N GLU B 370 9.534 -10.599 8.049 1.00 0.00 N ATOM 1507 CA GLU B 370 10.084 -9.248 8.209 1.00 0.00 C ATOM 1508 C GLU B 370 10.617 -8.668 6.892 1.00 0.00 C ATOM 1509 O GLU B 370 10.698 -7.449 6.735 1.00 0.00 O ATOM 1510 CB GLU B 370 11.205 -9.258 9.242 1.00 0.00 C ATOM 1511 CG GLU B 370 12.358 -10.162 8.855 1.00 0.00 C ATOM 1512 CD GLU B 370 13.499 -10.166 9.862 1.00 0.00 C ATOM 1513 OE1 GLU B 370 13.403 -9.460 10.891 1.00 0.00 O ATOM 1514 OE2 GLU B 370 14.496 -10.880 9.619 1.00 0.00 O ATOM 0 H GLU B 370 9.909 -11.277 8.712 1.00 0.00 H new ATOM 0 HA GLU B 370 9.265 -8.612 8.544 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.576 -8.242 9.377 1.00 0.00 H new ATOM 0 HB3 GLU B 370 10.804 -9.581 10.203 1.00 0.00 H new ATOM 0 HG2 GLU B 370 11.986 -11.180 8.737 1.00 0.00 H new ATOM 0 HG3 GLU B 370 12.743 -9.849 7.885 1.00 0.00 H new ATOM 1521 N ASP B 371 10.998 -9.547 5.962 1.00 0.00 N ATOM 1522 CA ASP B 371 11.549 -9.123 4.672 1.00 0.00 C ATOM 1523 C ASP B 371 10.525 -8.327 3.868 1.00 0.00 C ATOM 1524 O ASP B 371 10.803 -7.204 3.447 1.00 0.00 O ATOM 1525 CB ASP B 371 12.007 -10.342 3.860 1.00 0.00 C ATOM 1526 CG ASP B 371 13.133 -11.126 4.525 1.00 0.00 C ATOM 1527 OD1 ASP B 371 13.601 -10.719 5.612 1.00 0.00 O ATOM 1528 OD2 ASP B 371 13.550 -12.154 3.951 1.00 0.00 O ATOM 0 H ASP B 371 10.935 -10.558 6.078 1.00 0.00 H new ATOM 0 HA ASP B 371 12.406 -8.480 4.873 1.00 0.00 H new ATOM 0 HB2 ASP B 371 11.156 -11.005 3.703 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.338 -10.010 2.876 1.00 0.00 H new ATOM 1533 N LEU B 372 9.337 -8.903 3.674 1.00 0.00 N ATOM 1534 CA LEU B 372 8.270 -8.223 2.938 1.00 0.00 C ATOM 1535 C LEU B 372 7.995 -6.840 3.535 1.00 0.00 C ATOM 1536 O LEU B 372 7.723 -5.888 2.806 1.00 0.00 O ATOM 1537 CB LEU B 372 6.991 -9.069 2.928 1.00 0.00 C ATOM 1538 CG LEU B 372 6.925 -10.168 1.859 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.804 -9.561 0.468 1.00 0.00 C ATOM 1540 CD2 LEU B 372 8.141 -11.085 1.940 1.00 0.00 C ATOM 0 H LEU B 372 9.091 -9.833 4.014 1.00 0.00 H new ATOM 0 HA LEU B 372 8.601 -8.092 1.908 1.00 0.00 H new ATOM 0 HB2 LEU B 372 6.878 -9.534 3.907 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.139 -8.403 2.791 1.00 0.00 H new ATOM 0 HG LEU B 372 6.036 -10.768 2.051 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.759 -10.358 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU B 372 5.896 -8.960 0.411 1.00 0.00 H new ATOM 0 HD13 LEU B 372 7.670 -8.930 0.270 1.00 0.00 H new ATOM 0 HD21 LEU B 372 8.068 -11.854 1.171 1.00 0.00 H new ATOM 0 HD22 LEU B 372 9.048 -10.501 1.784 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.177 -11.556 2.922 1.00 0.00 H new ATOM 1552 N LEU B 373 8.085 -6.737 4.868 1.00 0.00 N ATOM 1553 CA LEU B 373 7.862 -5.464 5.559 1.00 0.00 C ATOM 1554 C LEU B 373 8.967 -4.463 5.249 1.00 0.00 C ATOM 1555 O LEU B 373 8.695 -3.279 5.045 1.00 0.00 O ATOM 1556 CB LEU B 373 7.767 -5.674 7.073 1.00 0.00 C ATOM 1557 CG LEU B 373 6.446 -6.264 7.558 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.471 -6.462 9.067 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.284 -5.365 7.149 1.00 0.00 C ATOM 0 H LEU B 373 8.310 -7.517 5.485 1.00 0.00 H new ATOM 0 HA LEU B 373 6.917 -5.060 5.196 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.578 -6.331 7.386 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.924 -4.716 7.569 1.00 0.00 H new ATOM 0 HG LEU B 373 6.307 -7.239 7.091 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.521 -6.883 9.394 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.280 -7.143 9.331 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.630 -5.502 9.557 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.348 -5.798 7.501 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.416 -4.377 7.590 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.257 -5.277 6.063 1.00 0.00 H new ATOM 1571 N SER B 374 10.212 -4.944 5.212 1.00 0.00 N ATOM 1572 CA SER B 374 11.358 -4.088 4.917 1.00 0.00 C ATOM 1573 C SER B 374 11.110 -3.287 3.640 1.00 0.00 C ATOM 1574 O SER B 374 11.376 -2.086 3.589 1.00 0.00 O ATOM 1575 CB SER B 374 12.631 -4.927 4.772 1.00 0.00 C ATOM 1576 OG SER B 374 12.912 -5.642 5.963 1.00 0.00 O ATOM 0 H SER B 374 10.450 -5.921 5.383 1.00 0.00 H new ATOM 0 HA SER B 374 11.490 -3.394 5.747 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.517 -5.626 3.944 1.00 0.00 H new ATOM 0 HB3 SER B 374 13.472 -4.278 4.528 1.00 0.00 H new ATOM 0 HG SER B 374 12.191 -6.282 6.138 1.00 0.00 H new ATOM 1582 N GLU B 375 10.579 -3.965 2.617 1.00 0.00 N ATOM 1583 CA GLU B 375 10.272 -3.325 1.342 1.00 0.00 C ATOM 1584 C GLU B 375 9.182 -2.262 1.508 1.00 0.00 C ATOM 1585 O GLU B 375 9.304 -1.158 0.978 1.00 0.00 O ATOM 1586 CB GLU B 375 9.837 -4.379 0.316 1.00 0.00 C ATOM 1587 CG GLU B 375 9.530 -3.813 -1.065 1.00 0.00 C ATOM 1588 CD GLU B 375 10.730 -3.190 -1.762 1.00 0.00 C ATOM 1589 OE1 GLU B 375 11.852 -3.237 -1.207 1.00 0.00 O ATOM 1590 OE2 GLU B 375 10.545 -2.662 -2.874 1.00 0.00 O ATOM 0 H GLU B 375 10.354 -4.959 2.652 1.00 0.00 H new ATOM 0 HA GLU B 375 11.174 -2.829 0.982 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.624 -5.127 0.223 1.00 0.00 H new ATOM 0 HB3 GLU B 375 8.952 -4.892 0.691 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.133 -4.611 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU B 375 8.747 -3.061 -0.972 1.00 0.00 H new ATOM 1597 N PHE B 376 8.118 -2.607 2.246 1.00 0.00 N ATOM 1598 CA PHE B 376 7.001 -1.685 2.480 1.00 0.00 C ATOM 1599 C PHE B 376 7.491 -0.357 3.051 1.00 0.00 C ATOM 1600 O PHE B 376 7.187 0.707 2.511 1.00 0.00 O ATOM 1601 CB PHE B 376 5.976 -2.299 3.439 1.00 0.00 C ATOM 1602 CG PHE B 376 4.664 -1.566 3.452 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.971 -1.347 2.273 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.125 -1.096 4.638 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.768 -0.676 2.275 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.919 -0.422 4.645 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.241 -0.213 3.460 1.00 0.00 C ATOM 0 H PHE B 376 8.008 -3.518 2.691 1.00 0.00 H new ATOM 0 HA PHE B 376 6.527 -1.502 1.516 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.802 -3.338 3.158 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.390 -2.307 4.447 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.379 -1.707 1.340 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.653 -1.258 5.566 1.00 0.00 H new ATOM 0 HE1 PHE B 376 2.239 -0.513 1.348 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.507 -0.059 5.575 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.298 0.313 3.463 1.00 0.00 H new ATOM 1617 N GLY B 377 8.242 -0.436 4.153 1.00 0.00 N ATOM 1618 CA GLY B 377 8.765 0.758 4.804 1.00 0.00 C ATOM 1619 C GLY B 377 9.498 1.703 3.860 1.00 0.00 C ATOM 1620 O GLY B 377 9.594 2.896 4.139 1.00 0.00 O ATOM 0 H GLY B 377 8.498 -1.312 4.608 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.941 1.295 5.273 1.00 0.00 H new ATOM 0 HA3 GLY B 377 9.444 0.457 5.602 1.00 0.00 H new ATOM 1624 N GLN B 378 10.019 1.178 2.748 1.00 0.00 N ATOM 1625 CA GLN B 378 10.746 1.997 1.775 1.00 0.00 C ATOM 1626 C GLN B 378 9.824 2.987 1.050 1.00 0.00 C ATOM 1627 O GLN B 378 10.280 4.027 0.575 1.00 0.00 O ATOM 1628 CB GLN B 378 11.455 1.106 0.746 1.00 0.00 C ATOM 1629 CG GLN B 378 12.410 0.090 1.360 1.00 0.00 C ATOM 1630 CD GLN B 378 13.523 0.734 2.171 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.269 1.394 3.179 1.00 0.00 O ATOM 1632 NE2 GLN B 378 14.764 0.544 1.735 1.00 0.00 N ATOM 0 H GLN B 378 9.951 0.191 2.499 1.00 0.00 H new ATOM 0 HA GLN B 378 11.485 2.573 2.332 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.704 0.576 0.161 1.00 0.00 H new ATOM 0 HB3 GLN B 378 12.010 1.739 0.054 1.00 0.00 H new ATOM 0 HG2 GLN B 378 11.847 -0.588 2.001 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.849 -0.513 0.566 1.00 0.00 H new ATOM 0 HE21 GLN B 378 14.930 -0.010 0.895 1.00 0.00 H new ATOM 0 HE22 GLN B 378 15.550 0.952 2.241 1.00 0.00 H new ATOM 1641 N PHE B 379 8.530 2.658 0.960 1.00 0.00 N ATOM 1642 CA PHE B 379 7.559 3.522 0.282 1.00 0.00 C ATOM 1643 C PHE B 379 6.922 4.529 1.246 1.00 0.00 C ATOM 1644 O PHE B 379 6.521 5.618 0.836 1.00 0.00 O ATOM 1645 CB PHE B 379 6.476 2.678 -0.397 1.00 0.00 C ATOM 1646 CG PHE B 379 7.027 1.726 -1.425 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.701 0.577 -1.035 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.894 1.993 -2.776 1.00 0.00 C ATOM 1649 CE1 PHE B 379 8.227 -0.287 -1.975 1.00 0.00 C ATOM 1650 CE2 PHE B 379 7.415 1.130 -3.721 1.00 0.00 C ATOM 1651 CZ PHE B 379 8.083 -0.010 -3.320 1.00 0.00 C ATOM 0 H PHE B 379 8.133 1.802 1.347 1.00 0.00 H new ATOM 0 HA PHE B 379 8.098 4.088 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.936 2.111 0.362 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.754 3.340 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.815 0.356 0.016 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.377 2.886 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE B 379 8.750 -1.178 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE B 379 7.300 1.347 -4.773 1.00 0.00 H new ATOM 0 HZ PHE B 379 8.492 -0.684 -4.058 1.00 0.00 H new ATOM 1661 N LEU B 380 6.846 4.162 2.526 1.00 0.00 N ATOM 1662 CA LEU B 380 6.274 5.028 3.552 1.00 0.00 C ATOM 1663 C LEU B 380 7.027 4.829 4.873 1.00 0.00 C ATOM 1664 O LEU B 380 6.527 4.257 5.841 1.00 0.00 O ATOM 1665 CB LEU B 380 4.775 4.755 3.680 1.00 0.00 C ATOM 1666 CG LEU B 380 4.359 3.515 4.471 1.00 0.00 C ATOM 1667 CD1 LEU B 380 2.850 3.344 4.421 1.00 0.00 C ATOM 1668 CD2 LEU B 380 5.074 2.282 3.946 1.00 0.00 C ATOM 0 H LEU B 380 7.177 3.263 2.876 1.00 0.00 H new ATOM 0 HA LEU B 380 6.387 6.075 3.271 1.00 0.00 H new ATOM 0 HB2 LEU B 380 4.311 5.625 4.145 1.00 0.00 H new ATOM 0 HB3 LEU B 380 4.359 4.671 2.676 1.00 0.00 H new ATOM 0 HG LEU B 380 4.650 3.646 5.513 1.00 0.00 H new ATOM 0 HD11 LEU B 380 2.565 2.458 4.988 1.00 0.00 H new ATOM 0 HD12 LEU B 380 2.370 4.221 4.854 1.00 0.00 H new ATOM 0 HD13 LEU B 380 2.531 3.230 3.385 1.00 0.00 H new ATOM 0 HD21 LEU B 380 4.765 1.409 4.522 1.00 0.00 H new ATOM 0 HD22 LEU B 380 4.820 2.133 2.897 1.00 0.00 H new ATOM 0 HD23 LEU B 380 6.151 2.417 4.043 1.00 0.00 H new