USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 377 THR OG1 : rot 180:sc= 0.135 USER MOD Set 1.2: A 380 SER OG : rot 83:sc= 0.145 USER MOD Set 2.1: A 373 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Set 2.2: A 391 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 362 THR OG1 : rot 180:sc= -0.125 USER MOD Set 3.2: A 370 SER OG : rot -2:sc= -0.107 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -150:sc= -0.384 (180deg=-2.33!) USER MOD Single : A 365 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.0062) USER MOD Single : A 366 LYS NZ :NH3+ -139:sc= -3.47! (180deg=-6.05!) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN : amide:sc= -0.0819 X(o=-0.082,f=-0.056) USER MOD Single : A 382 ASN :FLIP amide:sc= -1.3 F(o=-5.1!,f=-1.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -119:sc= -1.44 (180deg=-4.99!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.421 F(o=-1.8,f=-0.42) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0378 (180deg=-0.283) USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 HIS :FLIP no HD1:sc= -0.072 F(o=-1.1,f=-0.072) USER MOD Single : A 397 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.7!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.173 F(o=-2.2!,f=-0.17) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -173:sc= -0.415 (180deg=-0.583) USER MOD Single : A 405 THR OG1 : rot 31:sc= 0.272 USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0103 (180deg=-0.253) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 4:sc= 0.553 USER MOD Single : A 420 LYS NZ :NH3+ 150:sc= -4.08! (180deg=-6.13!) USER MOD Single : A 423 LYS NZ :NH3+ 167:sc= -0.0446 (180deg=-0.235) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.543 K(o=-0.54,f=-1.1) USER MOD Single : A 427 THR OG1 : rot 126:sc= 0.26 USER MOD Single : A 428 ASN : amide:sc= -0.496 K(o=-0.5,f=-2.5!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 14:sc= 0.698 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 24:sc= 0.184 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 21.048 -2.202 8.819 1.00 0.00 N ATOM 2 CA GLY A 354 20.666 -1.663 7.486 1.00 0.00 C ATOM 3 C GLY A 354 19.187 -1.836 7.193 1.00 0.00 C ATOM 4 O GLY A 354 18.812 -2.280 6.108 1.00 0.00 O ATOM 0 HA2 GLY A 354 20.921 -0.604 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 354 21.248 -2.166 6.714 1.00 0.00 H new ATOM 10 N SER A 355 18.349 -1.486 8.165 1.00 0.00 N ATOM 11 CA SER A 355 16.903 -1.606 8.011 1.00 0.00 C ATOM 12 C SER A 355 16.408 -0.767 6.837 1.00 0.00 C ATOM 13 O SER A 355 15.613 -1.235 6.022 1.00 0.00 O ATOM 14 CB SER A 355 16.194 -1.174 9.297 1.00 0.00 C ATOM 15 OG SER A 355 16.604 -1.967 10.397 1.00 0.00 O ATOM 0 H SER A 355 18.647 -1.117 9.068 1.00 0.00 H new ATOM 0 HA SER A 355 16.670 -2.652 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 355 16.410 -0.125 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 355 15.115 -1.258 9.167 1.00 0.00 H new ATOM 0 HG SER A 355 16.138 -1.670 11.206 1.00 0.00 H new ATOM 21 N HIS A 356 16.884 0.471 6.757 1.00 0.00 N ATOM 22 CA HIS A 356 16.494 1.379 5.682 1.00 0.00 C ATOM 23 C HIS A 356 16.910 0.825 4.321 1.00 0.00 C ATOM 24 O HIS A 356 17.976 0.224 4.185 1.00 0.00 O ATOM 25 CB HIS A 356 17.122 2.757 5.896 1.00 0.00 C ATOM 26 CG HIS A 356 16.681 3.427 7.162 1.00 0.00 C ATOM 27 ND1 HIS A 356 15.367 3.751 7.424 1.00 0.00 N ATOM 28 CD2 HIS A 356 17.390 3.830 8.243 1.00 0.00 C ATOM 29 CE1 HIS A 356 15.286 4.327 8.610 1.00 0.00 C ATOM 30 NE2 HIS A 356 16.499 4.386 9.127 1.00 0.00 N ATOM 0 H HIS A 356 17.543 0.870 7.426 1.00 0.00 H new ATOM 0 HA HIS A 356 15.408 1.475 5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 356 18.207 2.655 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 356 16.871 3.397 5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 356 18.456 3.732 8.383 1.00 0.00 H new ATOM 0 HE1 HIS A 356 14.382 4.688 9.077 1.00 0.00 H new ATOM 0 HE2 HIS A 356 16.736 4.781 10.037 1.00 0.00 H new ATOM 39 N MET A 357 16.062 1.033 3.316 1.00 0.00 N ATOM 40 CA MET A 357 16.346 0.554 1.967 1.00 0.00 C ATOM 41 C MET A 357 15.423 1.216 0.945 1.00 0.00 C ATOM 42 O MET A 357 14.976 0.581 -0.010 1.00 0.00 O ATOM 43 CB MET A 357 16.198 -0.972 1.899 1.00 0.00 C ATOM 44 CG MET A 357 14.765 -1.469 2.048 1.00 0.00 C ATOM 45 SD MET A 357 14.012 -1.001 3.618 1.00 0.00 S ATOM 46 CE MET A 357 12.382 -1.720 3.439 1.00 0.00 C ATOM 0 H MET A 357 15.176 1.529 3.411 1.00 0.00 H new ATOM 0 HA MET A 357 17.374 0.822 1.724 1.00 0.00 H new ATOM 0 HB2 MET A 357 16.595 -1.322 0.946 1.00 0.00 H new ATOM 0 HB3 MET A 357 16.809 -1.420 2.682 1.00 0.00 H new ATOM 0 HG2 MET A 357 14.163 -1.072 1.231 1.00 0.00 H new ATOM 0 HG3 MET A 357 14.752 -2.555 1.955 1.00 0.00 H new ATOM 0 HE1 MET A 357 11.794 -1.515 4.333 1.00 0.00 H new ATOM 0 HE2 MET A 357 11.886 -1.286 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 357 12.473 -2.798 3.303 1.00 0.00 H new ATOM 56 N LEU A 358 15.147 2.501 1.152 1.00 0.00 N ATOM 57 CA LEU A 358 14.284 3.255 0.249 1.00 0.00 C ATOM 58 C LEU A 358 15.049 3.701 -0.997 1.00 0.00 C ATOM 59 O LEU A 358 14.971 4.861 -1.403 1.00 0.00 O ATOM 60 CB LEU A 358 13.696 4.473 0.968 1.00 0.00 C ATOM 61 CG LEU A 358 12.853 4.156 2.206 1.00 0.00 C ATOM 62 CD1 LEU A 358 12.332 5.438 2.837 1.00 0.00 C ATOM 63 CD2 LEU A 358 11.697 3.232 1.848 1.00 0.00 C ATOM 0 H LEU A 358 15.509 3.041 1.938 1.00 0.00 H new ATOM 0 HA LEU A 358 13.471 2.600 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 358 14.514 5.130 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 358 13.080 5.029 0.262 1.00 0.00 H new ATOM 0 HG LEU A 358 13.488 3.646 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 358 11.735 5.194 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 358 13.173 6.066 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 358 11.715 5.974 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 358 11.111 3.019 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 358 11.063 3.714 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 358 12.089 2.300 1.441 1.00 0.00 H new ATOM 75 N GLU A 359 15.790 2.773 -1.595 1.00 0.00 N ATOM 76 CA GLU A 359 16.571 3.067 -2.792 1.00 0.00 C ATOM 77 C GLU A 359 15.668 3.509 -3.941 1.00 0.00 C ATOM 78 O GLU A 359 14.565 2.989 -4.111 1.00 0.00 O ATOM 79 CB GLU A 359 17.387 1.842 -3.210 1.00 0.00 C ATOM 80 CG GLU A 359 18.271 2.078 -4.426 1.00 0.00 C ATOM 81 CD GLU A 359 19.354 3.113 -4.178 1.00 0.00 C ATOM 82 OE1 GLU A 359 19.454 3.612 -3.037 1.00 0.00 O ATOM 83 OE2 GLU A 359 20.107 3.420 -5.126 1.00 0.00 O ATOM 0 H GLU A 359 15.866 1.809 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 359 17.252 3.885 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 359 18.012 1.531 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 359 16.705 1.018 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 359 18.736 1.137 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 359 17.651 2.402 -5.262 1.00 0.00 H new ATOM 90 N VAL A 360 16.148 4.472 -4.723 1.00 0.00 N ATOM 91 CA VAL A 360 15.395 4.991 -5.859 1.00 0.00 C ATOM 92 C VAL A 360 14.973 3.865 -6.801 1.00 0.00 C ATOM 93 O VAL A 360 15.682 2.870 -6.949 1.00 0.00 O ATOM 94 CB VAL A 360 16.219 6.032 -6.644 1.00 0.00 C ATOM 95 CG1 VAL A 360 17.475 5.399 -7.222 1.00 0.00 C ATOM 96 CG2 VAL A 360 15.379 6.667 -7.741 1.00 0.00 C ATOM 0 H VAL A 360 17.059 4.910 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 360 14.503 5.473 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 360 16.523 6.818 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 360 18.041 6.151 -7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 360 18.088 5.003 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 360 17.197 4.589 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 360 15.980 7.398 -8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 360 15.038 5.895 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.516 7.164 -7.297 1.00 0.00 H new ATOM 106 N LEU A 361 13.811 4.026 -7.431 1.00 0.00 N ATOM 107 CA LEU A 361 13.295 3.018 -8.351 1.00 0.00 C ATOM 108 C LEU A 361 12.291 3.626 -9.329 1.00 0.00 C ATOM 109 O LEU A 361 12.212 3.215 -10.487 1.00 0.00 O ATOM 110 CB LEU A 361 12.638 1.865 -7.580 1.00 0.00 C ATOM 111 CG LEU A 361 11.374 2.227 -6.789 1.00 0.00 C ATOM 112 CD1 LEU A 361 10.721 0.971 -6.233 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.697 3.194 -5.659 1.00 0.00 C ATOM 0 H LEU A 361 13.211 4.843 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 361 14.139 2.628 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 361 12.387 1.075 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 361 13.371 1.451 -6.888 1.00 0.00 H new ATOM 0 HG LEU A 361 10.677 2.717 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.826 1.243 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.449 0.308 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 361 11.420 0.460 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 361 10.784 3.435 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.414 2.733 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 361 12.124 4.108 -6.073 1.00 0.00 H new ATOM 125 N THR A 362 11.521 4.599 -8.855 1.00 0.00 N ATOM 126 CA THR A 362 10.521 5.257 -9.688 1.00 0.00 C ATOM 127 C THR A 362 11.165 6.019 -10.845 1.00 0.00 C ATOM 128 O THR A 362 12.207 6.654 -10.684 1.00 0.00 O ATOM 129 CB THR A 362 9.662 6.237 -8.864 1.00 0.00 C ATOM 130 OG1 THR A 362 9.045 5.547 -7.770 1.00 0.00 O ATOM 131 CG2 THR A 362 8.587 6.877 -9.730 1.00 0.00 C ATOM 0 H THR A 362 11.570 4.950 -7.898 1.00 0.00 H new ATOM 0 HA THR A 362 9.886 4.468 -10.090 1.00 0.00 H new ATOM 0 HB THR A 362 10.315 7.021 -8.481 1.00 0.00 H new ATOM 0 HG1 THR A 362 8.502 6.176 -7.251 1.00 0.00 H new ATOM 0 HG21 THR A 362 7.994 7.564 -9.126 1.00 0.00 H new ATOM 0 HG22 THR A 362 9.056 7.425 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 362 7.939 6.101 -10.138 1.00 0.00 H new ATOM 139 N GLN A 363 10.520 5.956 -12.008 1.00 0.00 N ATOM 140 CA GLN A 363 10.995 6.642 -13.210 1.00 0.00 C ATOM 141 C GLN A 363 12.366 6.141 -13.659 1.00 0.00 C ATOM 142 O GLN A 363 13.146 6.889 -14.248 1.00 0.00 O ATOM 143 CB GLN A 363 11.042 8.153 -12.972 1.00 0.00 C ATOM 144 CG GLN A 363 9.678 8.766 -12.699 1.00 0.00 C ATOM 145 CD GLN A 363 9.743 10.265 -12.476 1.00 0.00 C ATOM 146 OE1 GLN A 363 10.227 11.011 -13.328 1.00 0.00 O ATOM 147 NE2 GLN A 363 9.247 10.714 -11.329 1.00 0.00 N ATOM 0 H GLN A 363 9.657 5.430 -12.145 1.00 0.00 H new ATOM 0 HA GLN A 363 10.288 6.419 -14.009 1.00 0.00 H new ATOM 0 HB2 GLN A 363 11.700 8.360 -12.128 1.00 0.00 H new ATOM 0 HB3 GLN A 363 11.481 8.637 -13.844 1.00 0.00 H new ATOM 0 HG2 GLN A 363 9.016 8.556 -13.539 1.00 0.00 H new ATOM 0 HG3 GLN A 363 9.240 8.291 -11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 363 8.856 10.059 -10.652 1.00 0.00 H new ATOM 0 HE22 GLN A 363 9.257 11.713 -11.125 1.00 0.00 H new ATOM 156 N LYS A 364 12.647 4.868 -13.401 1.00 0.00 N ATOM 157 CA LYS A 364 13.914 4.270 -13.807 1.00 0.00 C ATOM 158 C LYS A 364 13.800 2.751 -13.866 1.00 0.00 C ATOM 159 O LYS A 364 13.274 2.126 -12.945 1.00 0.00 O ATOM 160 CB LYS A 364 15.044 4.687 -12.861 1.00 0.00 C ATOM 161 CG LYS A 364 14.825 4.278 -11.414 1.00 0.00 C ATOM 162 CD LYS A 364 15.989 4.702 -10.533 1.00 0.00 C ATOM 163 CE LYS A 364 17.284 4.016 -10.942 1.00 0.00 C ATOM 164 NZ LYS A 364 18.435 4.460 -10.109 1.00 0.00 N ATOM 0 H LYS A 364 12.016 4.232 -12.914 1.00 0.00 H new ATOM 0 HA LYS A 364 14.153 4.636 -14.805 1.00 0.00 H new ATOM 0 HB2 LYS A 364 15.978 4.250 -13.213 1.00 0.00 H new ATOM 0 HB3 LYS A 364 15.161 5.770 -12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 364 13.904 4.728 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 364 14.698 3.197 -11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 364 16.115 5.783 -10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 364 15.764 4.464 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 364 17.167 2.936 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 364 17.492 4.228 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 19.309 4.411 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 18.279 5.439 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 18.522 3.841 -9.278 1.00 0.00 H new ATOM 178 N HIS A 365 14.294 2.170 -14.963 1.00 0.00 N ATOM 179 CA HIS A 365 14.256 0.721 -15.179 1.00 0.00 C ATOM 180 C HIS A 365 12.847 0.248 -15.535 1.00 0.00 C ATOM 181 O HIS A 365 12.658 -0.468 -16.518 1.00 0.00 O ATOM 182 CB HIS A 365 14.768 -0.029 -13.945 1.00 0.00 C ATOM 183 CG HIS A 365 16.196 0.271 -13.613 1.00 0.00 C ATOM 184 ND1 HIS A 365 17.241 0.022 -14.480 1.00 0.00 N ATOM 185 CD2 HIS A 365 16.753 0.804 -12.499 1.00 0.00 C ATOM 186 CE1 HIS A 365 18.377 0.387 -13.913 1.00 0.00 C ATOM 187 NE2 HIS A 365 18.108 0.865 -12.712 1.00 0.00 N ATOM 0 H HIS A 365 14.730 2.689 -15.725 1.00 0.00 H new ATOM 0 HA HIS A 365 14.913 0.499 -16.020 1.00 0.00 H new ATOM 0 HB2 HIS A 365 14.143 0.227 -13.089 1.00 0.00 H new ATOM 0 HB3 HIS A 365 14.659 -1.101 -14.110 1.00 0.00 H new ATOM 0 HD2 HIS A 365 16.229 1.122 -11.610 1.00 0.00 H new ATOM 0 HE1 HIS A 365 19.359 0.308 -14.356 1.00 0.00 H new ATOM 0 HE2 HIS A 365 18.796 1.222 -12.049 1.00 0.00 H new ATOM 196 N LYS A 366 11.861 0.655 -14.738 1.00 0.00 N ATOM 197 CA LYS A 366 10.472 0.274 -14.978 1.00 0.00 C ATOM 198 C LYS A 366 9.534 0.970 -13.990 1.00 0.00 C ATOM 199 O LYS A 366 9.756 0.931 -12.778 1.00 0.00 O ATOM 200 CB LYS A 366 10.306 -1.245 -14.871 1.00 0.00 C ATOM 201 CG LYS A 366 10.709 -1.810 -13.519 1.00 0.00 C ATOM 202 CD LYS A 366 10.543 -3.323 -13.460 1.00 0.00 C ATOM 203 CE LYS A 366 11.581 -4.046 -14.310 1.00 0.00 C ATOM 204 NZ LYS A 366 11.405 -3.783 -15.766 1.00 0.00 N ATOM 0 H LYS A 366 11.999 1.249 -13.920 1.00 0.00 H new ATOM 0 HA LYS A 366 10.209 0.590 -15.987 1.00 0.00 H new ATOM 0 HB2 LYS A 366 9.265 -1.502 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 366 10.904 -1.723 -15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 366 11.748 -1.551 -13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 366 10.104 -1.348 -12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 366 10.626 -3.656 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 366 9.544 -3.591 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 366 12.579 -3.732 -14.005 1.00 0.00 H new ATOM 0 HE3 LYS A 366 11.514 -5.118 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 11.554 -4.664 -16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 10.442 -3.431 -15.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 12.096 -3.070 -16.076 1.00 0.00 H new ATOM 218 N PRO A 367 8.467 1.615 -14.496 1.00 0.00 N ATOM 219 CA PRO A 367 7.496 2.314 -13.658 1.00 0.00 C ATOM 220 C PRO A 367 6.445 1.373 -13.077 1.00 0.00 C ATOM 221 O PRO A 367 5.249 1.665 -13.114 1.00 0.00 O ATOM 222 CB PRO A 367 6.857 3.292 -14.631 1.00 0.00 C ATOM 223 CG PRO A 367 6.901 2.601 -15.946 1.00 0.00 C ATOM 224 CD PRO A 367 8.119 1.713 -15.929 1.00 0.00 C ATOM 0 HA PRO A 367 7.959 2.785 -12.791 1.00 0.00 H new ATOM 0 HB2 PRO A 367 5.833 3.526 -14.341 1.00 0.00 H new ATOM 0 HB3 PRO A 367 7.403 4.235 -14.661 1.00 0.00 H new ATOM 0 HG2 PRO A 367 5.996 2.014 -16.105 1.00 0.00 H new ATOM 0 HG3 PRO A 367 6.960 3.323 -16.761 1.00 0.00 H new ATOM 0 HD2 PRO A 367 7.905 0.733 -16.356 1.00 0.00 H new ATOM 0 HD3 PRO A 367 8.935 2.143 -16.510 1.00 0.00 H new ATOM 232 N ALA A 368 6.895 0.239 -12.546 1.00 0.00 N ATOM 233 CA ALA A 368 5.987 -0.745 -11.964 1.00 0.00 C ATOM 234 C ALA A 368 5.495 -0.317 -10.585 1.00 0.00 C ATOM 235 O ALA A 368 5.158 -1.158 -9.753 1.00 0.00 O ATOM 236 CB ALA A 368 6.670 -2.100 -11.875 1.00 0.00 C ATOM 0 H ALA A 368 7.881 -0.021 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 368 5.118 -0.818 -12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 368 5.983 -2.826 -11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 368 6.959 -2.428 -12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 368 7.558 -2.019 -11.248 1.00 0.00 H new ATOM 242 N GLU A 369 5.448 0.992 -10.361 1.00 0.00 N ATOM 243 CA GLU A 369 4.990 1.548 -9.089 1.00 0.00 C ATOM 244 C GLU A 369 5.863 1.084 -7.923 1.00 0.00 C ATOM 245 O GLU A 369 6.173 -0.100 -7.790 1.00 0.00 O ATOM 246 CB GLU A 369 3.530 1.160 -8.836 1.00 0.00 C ATOM 247 CG GLU A 369 2.580 1.585 -9.948 1.00 0.00 C ATOM 248 CD GLU A 369 2.499 3.092 -10.115 1.00 0.00 C ATOM 249 OE1 GLU A 369 3.145 3.818 -9.331 1.00 0.00 O ATOM 250 OE2 GLU A 369 1.780 3.546 -11.031 1.00 0.00 O ATOM 0 H GLU A 369 5.723 1.694 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 369 5.070 2.633 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 369 3.467 0.079 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 369 3.202 1.609 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 369 2.906 1.138 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 369 1.585 1.194 -9.737 1.00 0.00 H new ATOM 257 N SER A 370 6.251 2.030 -7.075 1.00 0.00 N ATOM 258 CA SER A 370 7.081 1.727 -5.913 1.00 0.00 C ATOM 259 C SER A 370 6.425 0.658 -5.044 1.00 0.00 C ATOM 260 O SER A 370 5.203 0.635 -4.891 1.00 0.00 O ATOM 261 CB SER A 370 7.324 2.993 -5.088 1.00 0.00 C ATOM 262 OG SER A 370 7.985 3.983 -5.857 1.00 0.00 O ATOM 0 H SER A 370 6.004 3.015 -7.170 1.00 0.00 H new ATOM 0 HA SER A 370 8.038 1.346 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 370 6.373 3.384 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 370 7.923 2.750 -4.210 1.00 0.00 H new ATOM 0 HG SER A 370 8.173 3.631 -6.752 1.00 0.00 H new ATOM 268 N GLN A 371 7.244 -0.227 -4.484 1.00 0.00 N ATOM 269 CA GLN A 371 6.745 -1.305 -3.635 1.00 0.00 C ATOM 270 C GLN A 371 5.875 -0.758 -2.508 1.00 0.00 C ATOM 271 O GLN A 371 4.796 -1.285 -2.234 1.00 0.00 O ATOM 272 CB GLN A 371 7.912 -2.103 -3.051 1.00 0.00 C ATOM 273 CG GLN A 371 8.799 -2.745 -4.107 1.00 0.00 C ATOM 274 CD GLN A 371 9.954 -3.521 -3.505 1.00 0.00 C ATOM 275 OE1 GLN A 371 9.751 -4.467 -2.744 1.00 0.00 O ATOM 276 NE2 GLN A 371 11.174 -3.122 -3.841 1.00 0.00 N ATOM 0 H GLN A 371 8.257 -0.219 -4.603 1.00 0.00 H new ATOM 0 HA GLN A 371 6.134 -1.963 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 371 8.519 -1.443 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 371 7.518 -2.881 -2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.198 -3.414 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.191 -1.971 -4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 371 11.296 -2.333 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.990 -3.605 -3.465 1.00 0.00 H new ATOM 285 N GLN A 372 6.348 0.302 -1.859 1.00 0.00 N ATOM 286 CA GLN A 372 5.607 0.918 -0.763 1.00 0.00 C ATOM 287 C GLN A 372 4.279 1.481 -1.257 1.00 0.00 C ATOM 288 O GLN A 372 4.220 2.133 -2.299 1.00 0.00 O ATOM 289 CB GLN A 372 6.438 2.028 -0.115 1.00 0.00 C ATOM 290 CG GLN A 372 5.751 2.695 1.066 1.00 0.00 C ATOM 291 CD GLN A 372 5.434 1.720 2.184 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.330 1.094 2.749 1.00 0.00 O ATOM 293 NE2 GLN A 372 4.154 1.589 2.508 1.00 0.00 N ATOM 0 H GLN A 372 7.239 0.751 -2.072 1.00 0.00 H new ATOM 0 HA GLN A 372 5.402 0.149 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 372 7.389 1.611 0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.666 2.784 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.390 3.489 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 372 4.828 3.165 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 372 3.445 2.129 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.879 0.949 3.253 1.00 0.00 H new ATOM 302 N GLN A 373 3.213 1.223 -0.504 1.00 0.00 N ATOM 303 CA GLN A 373 1.885 1.702 -0.868 1.00 0.00 C ATOM 304 C GLN A 373 1.830 3.222 -0.914 1.00 0.00 C ATOM 305 O GLN A 373 2.380 3.906 -0.051 1.00 0.00 O ATOM 306 CB GLN A 373 0.835 1.173 0.106 1.00 0.00 C ATOM 307 CG GLN A 373 0.484 -0.283 -0.127 1.00 0.00 C ATOM 308 CD GLN A 373 -0.521 -0.811 0.877 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.644 -0.314 0.969 1.00 0.00 O ATOM 310 NE2 GLN A 373 -0.122 -1.823 1.639 1.00 0.00 N ATOM 0 H GLN A 373 3.244 0.685 0.362 1.00 0.00 H new ATOM 0 HA GLN A 373 1.667 1.325 -1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.201 1.293 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -0.069 1.776 0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.081 -0.399 -1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.392 -0.884 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.818 -2.204 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.755 -2.219 2.334 1.00 0.00 H new ATOM 319 N ALA A 374 1.154 3.735 -1.933 1.00 0.00 N ATOM 320 CA ALA A 374 1.004 5.172 -2.114 1.00 0.00 C ATOM 321 C ALA A 374 -0.466 5.549 -2.248 1.00 0.00 C ATOM 322 O ALA A 374 -1.254 4.796 -2.820 1.00 0.00 O ATOM 323 CB ALA A 374 1.785 5.638 -3.333 1.00 0.00 C ATOM 0 H ALA A 374 0.698 3.173 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 374 1.406 5.671 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.662 6.714 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.842 5.406 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.412 5.128 -4.221 1.00 0.00 H new ATOM 329 N ALA A 375 -0.829 6.715 -1.717 1.00 0.00 N ATOM 330 CA ALA A 375 -2.208 7.187 -1.780 1.00 0.00 C ATOM 331 C ALA A 375 -2.750 7.095 -3.204 1.00 0.00 C ATOM 332 O ALA A 375 -2.451 7.936 -4.052 1.00 0.00 O ATOM 333 CB ALA A 375 -2.298 8.618 -1.270 1.00 0.00 C ATOM 0 H ALA A 375 -0.188 7.348 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.818 6.547 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.332 8.959 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.954 8.658 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.672 9.264 -1.886 1.00 0.00 H new ATOM 339 N GLU A 376 -3.543 6.060 -3.453 1.00 0.00 N ATOM 340 CA GLU A 376 -4.133 5.832 -4.764 1.00 0.00 C ATOM 341 C GLU A 376 -5.230 6.850 -5.051 1.00 0.00 C ATOM 342 O GLU A 376 -5.146 8.003 -4.628 1.00 0.00 O ATOM 343 CB GLU A 376 -4.683 4.405 -4.833 1.00 0.00 C ATOM 344 CG GLU A 376 -3.661 3.347 -4.458 1.00 0.00 C ATOM 345 CD GLU A 376 -2.495 3.282 -5.427 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.755 4.283 -5.539 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.320 2.228 -6.074 1.00 0.00 O ATOM 0 H GLU A 376 -3.794 5.359 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.363 5.955 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.542 4.322 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.043 4.210 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.283 3.553 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.150 2.374 -4.420 1.00 0.00 H new ATOM 354 N THR A 377 -6.253 6.419 -5.775 1.00 0.00 N ATOM 355 CA THR A 377 -7.363 7.286 -6.130 1.00 0.00 C ATOM 356 C THR A 377 -8.667 6.503 -6.156 1.00 0.00 C ATOM 357 O THR A 377 -8.666 5.293 -6.380 1.00 0.00 O ATOM 358 CB THR A 377 -7.138 7.953 -7.499 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.063 6.957 -8.525 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.857 8.771 -7.488 1.00 0.00 C ATOM 0 H THR A 377 -6.335 5.466 -6.130 1.00 0.00 H new ATOM 0 HA THR A 377 -7.424 8.065 -5.370 1.00 0.00 H new ATOM 0 HB THR A 377 -7.979 8.616 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.921 7.391 -9.392 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.714 9.235 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.926 9.545 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.011 8.120 -7.268 1.00 0.00 H new ATOM 368 N GLU A 378 -9.772 7.199 -5.911 1.00 0.00 N ATOM 369 CA GLU A 378 -11.089 6.572 -5.890 1.00 0.00 C ATOM 370 C GLU A 378 -11.248 5.597 -7.047 1.00 0.00 C ATOM 371 O GLU A 378 -11.803 4.512 -6.888 1.00 0.00 O ATOM 372 CB GLU A 378 -12.180 7.637 -5.960 1.00 0.00 C ATOM 373 CG GLU A 378 -13.590 7.072 -5.883 1.00 0.00 C ATOM 374 CD GLU A 378 -14.656 8.142 -6.006 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.683 8.836 -7.045 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.464 8.288 -5.065 1.00 0.00 O ATOM 0 H GLU A 378 -9.782 8.202 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.184 6.018 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.037 8.346 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.072 8.195 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.726 6.336 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.715 6.547 -4.936 1.00 0.00 H new ATOM 383 N GLY A 379 -10.757 5.998 -8.210 1.00 0.00 N ATOM 384 CA GLY A 379 -10.855 5.155 -9.382 1.00 0.00 C ATOM 385 C GLY A 379 -10.070 3.867 -9.260 1.00 0.00 C ATOM 386 O GLY A 379 -10.547 2.807 -9.664 1.00 0.00 O ATOM 0 H GLY A 379 -10.292 6.893 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.903 4.918 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.498 5.709 -10.250 1.00 0.00 H new ATOM 390 N SER A 380 -8.865 3.951 -8.711 1.00 0.00 N ATOM 391 CA SER A 380 -8.026 2.770 -8.555 1.00 0.00 C ATOM 392 C SER A 380 -8.615 1.796 -7.539 1.00 0.00 C ATOM 393 O SER A 380 -8.746 0.604 -7.811 1.00 0.00 O ATOM 394 CB SER A 380 -6.619 3.174 -8.129 1.00 0.00 C ATOM 395 OG SER A 380 -6.013 4.015 -9.094 1.00 0.00 O ATOM 0 H SER A 380 -8.449 4.817 -8.369 1.00 0.00 H new ATOM 0 HA SER A 380 -7.981 2.266 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.661 3.689 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.009 2.282 -7.986 1.00 0.00 H new ATOM 0 HG SER A 380 -6.311 4.938 -8.957 1.00 0.00 H new ATOM 401 N CYS A 381 -8.958 2.315 -6.367 1.00 0.00 N ATOM 402 CA CYS A 381 -9.517 1.500 -5.291 1.00 0.00 C ATOM 403 C CYS A 381 -10.731 0.691 -5.740 1.00 0.00 C ATOM 404 O CYS A 381 -10.833 -0.499 -5.442 1.00 0.00 O ATOM 405 CB CYS A 381 -9.897 2.392 -4.113 1.00 0.00 C ATOM 406 SG CYS A 381 -8.480 3.208 -3.318 1.00 0.00 S ATOM 0 H CYS A 381 -8.859 3.303 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.748 0.788 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.596 3.154 -4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.422 1.791 -3.370 1.00 0.00 H new ATOM 411 N ASN A 382 -11.653 1.341 -6.441 1.00 0.00 N ATOM 412 CA ASN A 382 -12.866 0.673 -6.913 1.00 0.00 C ATOM 413 C ASN A 382 -12.537 -0.588 -7.703 1.00 0.00 C ATOM 414 O ASN A 382 -13.334 -1.524 -7.756 1.00 0.00 O ATOM 415 CB ASN A 382 -13.696 1.618 -7.784 1.00 0.00 C ATOM 416 CG ASN A 382 -14.131 2.875 -7.053 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.737 3.002 -5.791 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.817 3.725 -7.620 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.587 2.326 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.444 0.389 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.114 1.899 -8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.579 1.090 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.098 3.589 -8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.104 4.566 -7.119 1.00 0.00 H new ATOM 425 N LYS A 383 -11.367 -0.599 -8.329 1.00 0.00 N ATOM 426 CA LYS A 383 -10.942 -1.734 -9.132 1.00 0.00 C ATOM 427 C LYS A 383 -10.332 -2.828 -8.263 1.00 0.00 C ATOM 428 O LYS A 383 -10.484 -4.017 -8.545 1.00 0.00 O ATOM 429 CB LYS A 383 -9.932 -1.277 -10.186 1.00 0.00 C ATOM 430 CG LYS A 383 -10.314 0.028 -10.869 1.00 0.00 C ATOM 431 CD LYS A 383 -11.708 -0.036 -11.475 1.00 0.00 C ATOM 432 CE LYS A 383 -12.052 1.249 -12.210 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.417 1.204 -12.802 1.00 0.00 N ATOM 0 H LYS A 383 -10.695 0.168 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.820 -2.148 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.956 -1.159 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.829 -2.056 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.269 0.843 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.589 0.255 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.769 -0.879 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.441 -0.214 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.983 2.091 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.320 1.423 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.612 2.099 -13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.476 0.417 -13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.118 1.064 -12.047 1.00 0.00 H new ATOM 447 N LYS A 384 -9.627 -2.414 -7.216 1.00 0.00 N ATOM 448 CA LYS A 384 -8.975 -3.348 -6.312 1.00 0.00 C ATOM 449 C LYS A 384 -9.979 -4.218 -5.564 1.00 0.00 C ATOM 450 O LYS A 384 -10.923 -3.713 -4.956 1.00 0.00 O ATOM 451 CB LYS A 384 -8.108 -2.571 -5.321 1.00 0.00 C ATOM 452 CG LYS A 384 -6.763 -2.120 -5.882 1.00 0.00 C ATOM 453 CD LYS A 384 -6.879 -1.490 -7.262 1.00 0.00 C ATOM 454 CE LYS A 384 -6.611 -2.500 -8.369 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.740 -1.888 -9.720 1.00 0.00 N ATOM 0 H LYS A 384 -9.493 -1.432 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.353 -4.016 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.660 -1.694 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.932 -3.194 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.312 -1.402 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.091 -2.977 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.877 -1.070 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.173 -0.664 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.609 -2.911 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.310 -3.332 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.496 -2.369 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.973 -0.879 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.841 -1.988 -10.234 1.00 0.00 H new ATOM 469 N ASP A 385 -9.757 -5.531 -5.599 1.00 0.00 N ATOM 470 CA ASP A 385 -10.629 -6.476 -4.911 1.00 0.00 C ATOM 471 C ASP A 385 -10.406 -6.396 -3.405 1.00 0.00 C ATOM 472 O ASP A 385 -9.611 -5.584 -2.939 1.00 0.00 O ATOM 473 CB ASP A 385 -10.376 -7.900 -5.406 1.00 0.00 C ATOM 474 CG ASP A 385 -10.661 -8.057 -6.888 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.814 -7.811 -7.299 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.732 -8.426 -7.636 1.00 0.00 O ATOM 0 H ASP A 385 -8.979 -5.963 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.664 -6.213 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.339 -8.172 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.001 -8.594 -4.843 1.00 0.00 H new ATOM 481 N GLN A 386 -11.107 -7.239 -2.652 1.00 0.00 N ATOM 482 CA GLN A 386 -10.983 -7.253 -1.194 1.00 0.00 C ATOM 483 C GLN A 386 -9.520 -7.227 -0.759 1.00 0.00 C ATOM 484 O GLN A 386 -9.106 -6.355 0.007 1.00 0.00 O ATOM 485 CB GLN A 386 -11.668 -8.494 -0.616 1.00 0.00 C ATOM 486 CG GLN A 386 -11.581 -8.589 0.898 1.00 0.00 C ATOM 487 CD GLN A 386 -12.239 -9.841 1.444 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.849 -10.959 1.107 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.246 -9.660 2.291 1.00 0.00 N ATOM 0 H GLN A 386 -11.767 -7.922 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.471 -6.356 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.717 -8.490 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.217 -9.384 -1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.534 -8.573 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.054 -7.712 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.537 -8.715 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.729 -10.466 2.689 1.00 0.00 H new ATOM 498 N ASN A 387 -8.744 -8.183 -1.251 1.00 0.00 N ATOM 499 CA ASN A 387 -7.330 -8.275 -0.915 1.00 0.00 C ATOM 500 C ASN A 387 -6.559 -7.075 -1.463 1.00 0.00 C ATOM 501 O ASN A 387 -5.614 -6.590 -0.838 1.00 0.00 O ATOM 502 CB ASN A 387 -6.750 -9.577 -1.480 1.00 0.00 C ATOM 503 CG ASN A 387 -5.304 -9.827 -1.080 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.760 -8.989 -0.203 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -4.682 -10.779 -1.550 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.072 -8.909 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.230 -8.274 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.361 -10.414 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.818 -9.553 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.133 -11.401 -2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -3.716 -10.946 -1.269 1.00 0.00 H new ATOM 512 N GLU A 388 -6.961 -6.607 -2.639 1.00 0.00 N ATOM 513 CA GLU A 388 -6.305 -5.473 -3.281 1.00 0.00 C ATOM 514 C GLU A 388 -6.731 -4.148 -2.661 1.00 0.00 C ATOM 515 O GLU A 388 -6.104 -3.117 -2.906 1.00 0.00 O ATOM 516 CB GLU A 388 -6.602 -5.475 -4.780 1.00 0.00 C ATOM 517 CG GLU A 388 -6.092 -6.715 -5.498 1.00 0.00 C ATOM 518 CD GLU A 388 -6.393 -6.695 -6.983 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.931 -5.759 -7.669 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.089 -7.616 -7.461 1.00 0.00 O ATOM 0 H GLU A 388 -7.741 -6.996 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.231 -5.579 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.679 -5.396 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.152 -4.592 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.015 -6.798 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.544 -7.600 -5.051 1.00 0.00 H new ATOM 527 N CYS A 389 -7.794 -4.172 -1.861 1.00 0.00 N ATOM 528 CA CYS A 389 -8.275 -2.955 -1.224 1.00 0.00 C ATOM 529 C CYS A 389 -7.171 -2.371 -0.350 1.00 0.00 C ATOM 530 O CYS A 389 -6.908 -2.856 0.750 1.00 0.00 O ATOM 531 CB CYS A 389 -9.529 -3.236 -0.395 1.00 0.00 C ATOM 532 SG CYS A 389 -10.522 -1.750 -0.040 1.00 0.00 S ATOM 0 H CYS A 389 -8.331 -5.011 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.542 -2.231 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.150 -3.959 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.235 -3.699 0.547 1.00 0.00 H new ATOM 537 N LYS A 390 -6.509 -1.347 -0.873 1.00 0.00 N ATOM 538 CA LYS A 390 -5.404 -0.701 -0.179 1.00 0.00 C ATOM 539 C LYS A 390 -5.871 0.106 1.029 1.00 0.00 C ATOM 540 O LYS A 390 -7.053 0.423 1.162 1.00 0.00 O ATOM 541 CB LYS A 390 -4.629 0.172 -1.157 1.00 0.00 C ATOM 542 CG LYS A 390 -4.008 -0.627 -2.296 1.00 0.00 C ATOM 543 CD LYS A 390 -3.257 0.269 -3.265 1.00 0.00 C ATOM 544 CE LYS A 390 -2.626 -0.532 -4.392 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.661 -1.543 -3.879 1.00 0.00 N ATOM 0 H LYS A 390 -6.722 -0.943 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.747 -1.480 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.297 0.927 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.842 0.702 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.327 -1.374 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.790 -1.167 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.940 1.009 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.482 0.817 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.407 -1.033 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.114 0.145 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.082 -1.901 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.044 -1.104 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.182 -2.332 -3.446 1.00 0.00 H new ATOM 559 N SER A 391 -4.927 0.410 1.918 1.00 0.00 N ATOM 560 CA SER A 391 -5.211 1.151 3.138 1.00 0.00 C ATOM 561 C SER A 391 -5.961 2.457 2.860 1.00 0.00 C ATOM 562 O SER A 391 -7.030 2.682 3.428 1.00 0.00 O ATOM 563 CB SER A 391 -3.909 1.430 3.888 1.00 0.00 C ATOM 564 OG SER A 391 -3.251 0.225 4.235 1.00 0.00 O ATOM 0 H SER A 391 -3.947 0.149 1.810 1.00 0.00 H new ATOM 0 HA SER A 391 -5.863 0.535 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.253 2.041 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 391 -4.121 2.005 4.790 1.00 0.00 H new ATOM 0 HG SER A 391 -2.420 0.432 4.712 1.00 0.00 H new ATOM 570 N PRO A 392 -5.432 3.342 1.985 1.00 0.00 N ATOM 571 CA PRO A 392 -6.094 4.602 1.669 1.00 0.00 C ATOM 572 C PRO A 392 -7.543 4.376 1.253 1.00 0.00 C ATOM 573 O PRO A 392 -8.415 5.209 1.503 1.00 0.00 O ATOM 574 CB PRO A 392 -5.281 5.176 0.501 1.00 0.00 C ATOM 575 CG PRO A 392 -4.324 4.119 0.083 1.00 0.00 C ATOM 576 CD PRO A 392 -4.170 3.193 1.245 1.00 0.00 C ATOM 0 HA PRO A 392 -6.129 5.273 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.935 5.454 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.751 6.079 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.696 3.584 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.364 4.554 -0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.017 2.164 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.312 3.463 1.860 1.00 0.00 H new ATOM 584 N CYS A 393 -7.784 3.235 0.618 1.00 0.00 N ATOM 585 CA CYS A 393 -9.118 2.870 0.161 1.00 0.00 C ATOM 586 C CYS A 393 -10.024 2.535 1.342 1.00 0.00 C ATOM 587 O CYS A 393 -9.561 2.073 2.383 1.00 0.00 O ATOM 588 CB CYS A 393 -9.046 1.668 -0.776 1.00 0.00 C ATOM 589 SG CYS A 393 -7.764 1.790 -2.064 1.00 0.00 S ATOM 0 H CYS A 393 -7.066 2.542 0.407 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.535 3.724 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.863 0.772 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.016 1.540 -1.257 1.00 0.00 H new ATOM 594 N LYS A 394 -11.319 2.759 1.162 1.00 0.00 N ATOM 595 CA LYS A 394 -12.301 2.467 2.201 1.00 0.00 C ATOM 596 C LYS A 394 -13.046 1.182 1.872 1.00 0.00 C ATOM 597 O LYS A 394 -13.777 1.110 0.880 1.00 0.00 O ATOM 598 CB LYS A 394 -13.287 3.629 2.351 1.00 0.00 C ATOM 599 CG LYS A 394 -14.289 3.443 3.479 1.00 0.00 C ATOM 600 CD LYS A 394 -15.222 4.640 3.600 1.00 0.00 C ATOM 601 CE LYS A 394 -14.461 5.914 3.933 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.367 7.092 4.031 1.00 0.00 N ATOM 0 H LYS A 394 -11.716 3.143 0.304 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.776 2.337 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.727 4.548 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.829 3.757 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.874 2.541 3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.757 3.299 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.765 4.774 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.964 4.446 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.931 5.784 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.708 6.098 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.810 7.940 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.854 7.232 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -16.070 6.928 4.779 1.00 0.00 H new ATOM 616 N TRP A 395 -12.839 0.169 2.704 1.00 0.00 N ATOM 617 CA TRP A 395 -13.466 -1.129 2.510 1.00 0.00 C ATOM 618 C TRP A 395 -14.859 -1.185 3.133 1.00 0.00 C ATOM 619 O TRP A 395 -15.112 -0.580 4.175 1.00 0.00 O ATOM 620 CB TRP A 395 -12.588 -2.233 3.105 1.00 0.00 C ATOM 621 CG TRP A 395 -13.147 -3.612 2.918 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.489 -4.495 3.901 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.421 -4.269 1.673 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.967 -5.657 3.346 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.933 -5.544 1.982 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.284 -3.906 0.330 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.310 -6.453 0.997 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.659 -4.811 -0.647 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.167 -6.070 -0.309 1.00 0.00 C ATOM 0 H TRP A 395 -12.237 0.224 3.525 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.573 -1.284 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.600 -2.186 2.648 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.455 -2.045 4.170 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.397 -4.307 4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.294 -6.472 3.866 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.892 -2.936 0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.701 -7.426 1.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.558 -4.541 -1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.452 -6.754 -1.095 1.00 0.00 H new ATOM 640 N HIS A 396 -15.748 -1.938 2.494 1.00 0.00 N ATOM 641 CA HIS A 396 -17.110 -2.109 2.982 1.00 0.00 C ATOM 642 C HIS A 396 -17.512 -3.577 2.882 1.00 0.00 C ATOM 643 O HIS A 396 -17.609 -4.135 1.783 1.00 0.00 O ATOM 644 CB HIS A 396 -18.082 -1.231 2.193 1.00 0.00 C ATOM 645 CG HIS A 396 -17.866 0.237 2.401 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.552 1.224 1.528 1.00 0.00 N flip ATOM 647 CD2 HIS A 396 -17.968 0.842 3.638 1.00 0.00 C flip ATOM 648 CE1 HIS A 396 -17.472 2.392 2.245 1.00 0.00 C flip ATOM 649 NE2 HIS A 396 -17.727 2.134 3.515 1.00 0.00 N flip ATOM 0 H HIS A 396 -15.547 -2.443 1.631 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.151 -1.800 4.027 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.984 -1.458 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.103 -1.484 2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -18.208 0.337 4.562 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.238 3.364 1.837 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -17.736 2.817 4.272 1.00 0.00 H new ATOM 658 N ASN A 397 -17.714 -4.193 4.046 1.00 0.00 N ATOM 659 CA ASN A 397 -18.072 -5.606 4.143 1.00 0.00 C ATOM 660 C ASN A 397 -19.510 -5.881 3.704 1.00 0.00 C ATOM 661 O ASN A 397 -20.440 -5.174 4.091 1.00 0.00 O ATOM 662 CB ASN A 397 -17.863 -6.087 5.583 1.00 0.00 C ATOM 663 CG ASN A 397 -18.340 -7.509 5.804 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.539 -7.785 5.778 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.399 -8.422 6.024 1.00 0.00 N ATOM 0 H ASN A 397 -17.634 -3.725 4.949 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.422 -6.156 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.804 -6.021 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.393 -5.421 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.660 -9.396 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.416 -8.149 6.037 1.00 0.00 H new ATOM 672 N ASP A 398 -19.670 -6.938 2.906 1.00 0.00 N ATOM 673 CA ASP A 398 -20.976 -7.362 2.407 1.00 0.00 C ATOM 674 C ASP A 398 -21.807 -6.192 1.888 1.00 0.00 C ATOM 675 O ASP A 398 -23.029 -6.174 2.042 1.00 0.00 O ATOM 676 CB ASP A 398 -21.744 -8.111 3.497 1.00 0.00 C ATOM 677 CG ASP A 398 -21.170 -9.489 3.761 1.00 0.00 C ATOM 678 OD1 ASP A 398 -19.963 -9.583 4.065 1.00 0.00 O ATOM 679 OD2 ASP A 398 -21.930 -10.475 3.665 1.00 0.00 O ATOM 0 H ASP A 398 -18.897 -7.523 2.588 1.00 0.00 H new ATOM 0 HA ASP A 398 -20.796 -8.031 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.724 -7.529 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.789 -8.205 3.203 1.00 0.00 H new ATOM 684 N ALA A 399 -21.148 -5.230 1.254 1.00 0.00 N ATOM 685 CA ALA A 399 -21.847 -4.081 0.696 1.00 0.00 C ATOM 686 C ALA A 399 -22.570 -4.486 -0.583 1.00 0.00 C ATOM 687 O ALA A 399 -22.869 -5.663 -0.784 1.00 0.00 O ATOM 688 CB ALA A 399 -20.862 -2.950 0.422 1.00 0.00 C ATOM 0 H ALA A 399 -20.138 -5.223 1.114 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.585 -3.727 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.396 -2.096 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.378 -2.656 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.108 -3.289 -0.288 1.00 0.00 H new ATOM 694 N GLU A 400 -22.827 -3.522 -1.459 1.00 0.00 N ATOM 695 CA GLU A 400 -23.483 -3.810 -2.728 1.00 0.00 C ATOM 696 C GLU A 400 -22.469 -4.392 -3.706 1.00 0.00 C ATOM 697 O GLU A 400 -22.053 -3.725 -4.653 1.00 0.00 O ATOM 698 CB GLU A 400 -24.152 -2.559 -3.316 1.00 0.00 C ATOM 699 CG GLU A 400 -23.301 -1.301 -3.245 1.00 0.00 C ATOM 700 CD GLU A 400 -23.283 -0.684 -1.859 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.369 -0.328 -1.355 1.00 0.00 O ATOM 702 OE2 GLU A 400 -22.186 -0.559 -1.278 1.00 0.00 O ATOM 0 H GLU A 400 -22.593 -2.540 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.271 -4.541 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.406 -2.753 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.088 -2.380 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.281 -1.540 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -23.680 -0.570 -3.959 1.00 0.00 H new ATOM 709 N ASN A 401 -22.055 -5.633 -3.427 1.00 0.00 N ATOM 710 CA ASN A 401 -21.059 -6.343 -4.228 1.00 0.00 C ATOM 711 C ASN A 401 -19.662 -5.922 -3.795 1.00 0.00 C ATOM 712 O ASN A 401 -18.762 -5.754 -4.617 1.00 0.00 O ATOM 713 CB ASN A 401 -21.257 -6.093 -5.729 1.00 0.00 C ATOM 714 CG ASN A 401 -22.614 -6.556 -6.236 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.435 -7.112 -5.349 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -22.924 -6.413 -7.420 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.405 -6.173 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.183 -7.413 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.144 -5.028 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.473 -6.608 -6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.267 -5.982 -8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.837 -6.726 -7.749 1.00 0.00 H new ATOM 723 N LYS A 402 -19.503 -5.756 -2.480 1.00 0.00 N ATOM 724 CA LYS A 402 -18.231 -5.354 -1.882 1.00 0.00 C ATOM 725 C LYS A 402 -17.817 -3.963 -2.353 1.00 0.00 C ATOM 726 O LYS A 402 -17.842 -3.668 -3.548 1.00 0.00 O ATOM 727 CB LYS A 402 -17.131 -6.372 -2.205 1.00 0.00 C ATOM 728 CG LYS A 402 -17.303 -7.713 -1.504 1.00 0.00 C ATOM 729 CD LYS A 402 -18.542 -8.456 -1.978 1.00 0.00 C ATOM 730 CE LYS A 402 -18.713 -9.778 -1.247 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.931 -10.509 -1.695 1.00 0.00 N ATOM 0 H LYS A 402 -20.252 -5.897 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.369 -5.322 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.108 -6.537 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.166 -5.949 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.422 -8.329 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.368 -7.552 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.423 -7.835 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.470 -8.639 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.834 -10.401 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.774 -9.594 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.010 -11.405 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.773 -9.926 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.862 -10.708 -2.713 1.00 0.00 H new ATOM 745 N LYS A 403 -17.446 -3.103 -1.407 1.00 0.00 N ATOM 746 CA LYS A 403 -17.042 -1.742 -1.746 1.00 0.00 C ATOM 747 C LYS A 403 -15.634 -1.415 -1.256 1.00 0.00 C ATOM 748 O LYS A 403 -15.243 -1.784 -0.152 1.00 0.00 O ATOM 749 CB LYS A 403 -18.035 -0.738 -1.169 1.00 0.00 C ATOM 750 CG LYS A 403 -19.304 -0.601 -1.990 1.00 0.00 C ATOM 751 CD LYS A 403 -19.023 0.050 -3.336 1.00 0.00 C ATOM 752 CE LYS A 403 -20.299 0.274 -4.129 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.270 1.131 -3.392 1.00 0.00 N ATOM 0 H LYS A 403 -17.417 -3.321 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.036 -1.672 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.298 -1.041 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.553 0.237 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.748 -1.585 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.033 -0.005 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.519 1.004 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.344 -0.580 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.056 0.740 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.761 -0.688 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.170 1.162 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.432 0.736 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.887 2.094 -3.305 1.00 0.00 H new ATOM 767 N CYS A 404 -14.889 -0.698 -2.092 1.00 0.00 N ATOM 768 CA CYS A 404 -13.527 -0.285 -1.772 1.00 0.00 C ATOM 769 C CYS A 404 -13.255 1.093 -2.369 1.00 0.00 C ATOM 770 O CYS A 404 -12.421 1.241 -3.259 1.00 0.00 O ATOM 771 CB CYS A 404 -12.504 -1.293 -2.312 1.00 0.00 C ATOM 772 SG CYS A 404 -10.780 -0.901 -1.872 1.00 0.00 S ATOM 0 H CYS A 404 -15.212 -0.388 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.427 -0.243 -0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.750 -2.284 -1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.591 -1.338 -3.398 1.00 0.00 H new ATOM 777 N THR A 405 -13.988 2.097 -1.891 1.00 0.00 N ATOM 778 CA THR A 405 -13.842 3.459 -2.399 1.00 0.00 C ATOM 779 C THR A 405 -12.767 4.242 -1.648 1.00 0.00 C ATOM 780 O THR A 405 -12.761 4.288 -0.423 1.00 0.00 O ATOM 781 CB THR A 405 -15.168 4.232 -2.317 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.568 4.379 -0.950 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.263 3.513 -3.095 1.00 0.00 C ATOM 0 H THR A 405 -14.687 1.993 -1.155 1.00 0.00 H new ATOM 0 HA THR A 405 -13.540 3.362 -3.442 1.00 0.00 H new ATOM 0 HB THR A 405 -15.015 5.217 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.773 4.423 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.192 4.079 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.970 3.429 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.411 2.517 -2.678 1.00 0.00 H new ATOM 791 N LEU A 406 -11.873 4.870 -2.404 1.00 0.00 N ATOM 792 CA LEU A 406 -10.787 5.664 -1.837 1.00 0.00 C ATOM 793 C LEU A 406 -11.331 6.798 -0.978 1.00 0.00 C ATOM 794 O LEU A 406 -12.376 7.375 -1.276 1.00 0.00 O ATOM 795 CB LEU A 406 -9.918 6.222 -2.968 1.00 0.00 C ATOM 796 CG LEU A 406 -8.575 6.839 -2.559 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.764 8.187 -1.887 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.807 5.895 -1.654 1.00 0.00 C ATOM 0 H LEU A 406 -11.880 4.844 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.181 5.022 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.722 5.417 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.494 6.980 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.994 7.000 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.792 8.595 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.262 8.870 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.374 8.065 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.857 6.351 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.392 5.696 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.619 4.959 -2.180 1.00 0.00 H new ATOM 810 N ASP A 407 -10.602 7.117 0.084 1.00 0.00 N ATOM 811 CA ASP A 407 -10.994 8.190 0.989 1.00 0.00 C ATOM 812 C ASP A 407 -9.844 9.172 1.176 1.00 0.00 C ATOM 813 O ASP A 407 -8.711 8.770 1.436 1.00 0.00 O ATOM 814 CB ASP A 407 -11.422 7.619 2.339 1.00 0.00 C ATOM 815 CG ASP A 407 -11.902 8.691 3.296 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.870 9.404 2.955 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.311 8.819 4.390 1.00 0.00 O ATOM 0 H ASP A 407 -9.734 6.647 0.340 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.840 8.720 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.218 6.890 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.583 7.086 2.787 1.00 0.00 H new ATOM 822 N LYS A 408 -10.140 10.459 1.032 1.00 0.00 N ATOM 823 CA LYS A 408 -9.127 11.497 1.176 1.00 0.00 C ATOM 824 C LYS A 408 -8.532 11.495 2.580 1.00 0.00 C ATOM 825 O LYS A 408 -7.313 11.551 2.743 1.00 0.00 O ATOM 826 CB LYS A 408 -9.726 12.870 0.869 1.00 0.00 C ATOM 827 CG LYS A 408 -10.383 12.963 -0.501 1.00 0.00 C ATOM 828 CD LYS A 408 -9.381 12.750 -1.628 1.00 0.00 C ATOM 829 CE LYS A 408 -8.334 13.851 -1.665 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.942 15.188 -1.906 1.00 0.00 N ATOM 0 H LYS A 408 -11.074 10.808 0.816 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.329 11.286 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.465 13.112 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.940 13.622 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.176 12.218 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.852 13.940 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.890 11.785 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.908 12.716 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -7.789 13.865 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -7.608 13.636 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -8.199 15.864 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.641 15.118 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.411 15.517 -1.038 1.00 0.00 H new ATOM 844 N GLU A 409 -9.396 11.431 3.588 1.00 0.00 N ATOM 845 CA GLU A 409 -8.956 11.423 4.975 1.00 0.00 C ATOM 846 C GLU A 409 -7.988 10.273 5.232 1.00 0.00 C ATOM 847 O GLU A 409 -6.934 10.461 5.841 1.00 0.00 O ATOM 848 CB GLU A 409 -10.167 11.313 5.903 1.00 0.00 C ATOM 849 CG GLU A 409 -9.810 11.299 7.377 1.00 0.00 C ATOM 850 CD GLU A 409 -9.180 12.598 7.846 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.095 12.953 7.340 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.776 13.262 8.721 1.00 0.00 O ATOM 0 H GLU A 409 -10.408 11.384 3.468 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.433 12.358 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.838 12.150 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.715 10.402 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.710 11.106 7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.121 10.477 7.571 1.00 0.00 H new ATOM 859 N GLU A 410 -8.347 9.087 4.754 1.00 0.00 N ATOM 860 CA GLU A 410 -7.502 7.911 4.924 1.00 0.00 C ATOM 861 C GLU A 410 -6.163 8.116 4.229 1.00 0.00 C ATOM 862 O GLU A 410 -5.108 7.850 4.804 1.00 0.00 O ATOM 863 CB GLU A 410 -8.199 6.665 4.375 1.00 0.00 C ATOM 864 CG GLU A 410 -9.476 6.309 5.116 1.00 0.00 C ATOM 865 CD GLU A 410 -10.128 5.049 4.581 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.479 3.983 4.617 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.289 5.128 4.129 1.00 0.00 O ATOM 0 H GLU A 410 -9.215 8.915 4.247 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.324 7.766 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.431 6.823 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.511 5.821 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.253 6.177 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -10.179 7.138 5.040 1.00 0.00 H new ATOM 874 N ALA A 411 -6.214 8.603 2.993 1.00 0.00 N ATOM 875 CA ALA A 411 -5.005 8.862 2.220 1.00 0.00 C ATOM 876 C ALA A 411 -4.050 9.757 2.997 1.00 0.00 C ATOM 877 O ALA A 411 -2.839 9.540 2.997 1.00 0.00 O ATOM 878 CB ALA A 411 -5.362 9.504 0.888 1.00 0.00 C ATOM 0 H ALA A 411 -7.081 8.826 2.505 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.507 7.911 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.451 9.693 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.010 8.834 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.881 10.446 1.066 1.00 0.00 H new ATOM 884 N LYS A 412 -4.609 10.763 3.661 1.00 0.00 N ATOM 885 CA LYS A 412 -3.816 11.696 4.451 1.00 0.00 C ATOM 886 C LYS A 412 -3.067 10.968 5.562 1.00 0.00 C ATOM 887 O LYS A 412 -1.888 11.224 5.800 1.00 0.00 O ATOM 888 CB LYS A 412 -4.721 12.771 5.049 1.00 0.00 C ATOM 889 CG LYS A 412 -5.435 13.610 4.002 1.00 0.00 C ATOM 890 CD LYS A 412 -6.452 14.541 4.636 1.00 0.00 C ATOM 891 CE LYS A 412 -7.115 15.431 3.595 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.104 16.361 4.206 1.00 0.00 N ATOM 0 H LYS A 412 -5.611 10.953 3.667 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.083 12.166 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.463 12.295 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.124 13.426 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.705 14.194 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.935 12.955 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.212 13.955 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -5.962 15.160 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.352 16.006 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.613 14.810 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.533 16.949 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.847 15.812 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.625 16.972 4.898 1.00 0.00 H new ATOM 906 N LYS A 413 -3.763 10.059 6.240 1.00 0.00 N ATOM 907 CA LYS A 413 -3.167 9.291 7.330 1.00 0.00 C ATOM 908 C LYS A 413 -2.056 8.377 6.822 1.00 0.00 C ATOM 909 O LYS A 413 -0.992 8.283 7.435 1.00 0.00 O ATOM 910 CB LYS A 413 -4.236 8.457 8.037 1.00 0.00 C ATOM 911 CG LYS A 413 -5.328 9.288 8.694 1.00 0.00 C ATOM 912 CD LYS A 413 -6.357 8.410 9.390 1.00 0.00 C ATOM 913 CE LYS A 413 -5.736 7.600 10.517 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.740 6.730 11.191 1.00 0.00 N ATOM 0 H LYS A 413 -4.741 9.836 6.054 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.733 9.999 8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.692 7.780 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.758 7.838 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.881 9.970 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.822 9.902 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.157 9.034 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.810 7.735 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.929 6.984 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.291 8.275 11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.279 6.194 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.497 7.320 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -7.146 6.068 10.499 1.00 0.00 H new ATOM 928 N VAL A 414 -2.312 7.699 5.707 1.00 0.00 N ATOM 929 CA VAL A 414 -1.337 6.786 5.123 1.00 0.00 C ATOM 930 C VAL A 414 -0.023 7.500 4.827 1.00 0.00 C ATOM 931 O VAL A 414 1.048 7.039 5.222 1.00 0.00 O ATOM 932 CB VAL A 414 -1.869 6.149 3.824 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.859 5.165 3.255 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.206 5.465 4.070 1.00 0.00 C ATOM 0 H VAL A 414 -3.188 7.765 5.190 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.162 6.000 5.857 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.021 6.942 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.254 4.727 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.073 5.686 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.670 4.376 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.564 5.022 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.083 4.684 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.930 6.198 4.425 1.00 0.00 H new ATOM 944 N ALA A 415 -0.113 8.633 4.137 1.00 0.00 N ATOM 945 CA ALA A 415 1.069 9.416 3.796 1.00 0.00 C ATOM 946 C ALA A 415 1.717 9.988 5.048 1.00 0.00 C ATOM 947 O ALA A 415 2.939 9.975 5.192 1.00 0.00 O ATOM 948 CB ALA A 415 0.705 10.541 2.841 1.00 0.00 C ATOM 0 H ALA A 415 -0.992 9.029 3.803 1.00 0.00 H new ATOM 0 HA ALA A 415 1.783 8.754 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.599 11.115 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.283 10.121 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.029 11.195 3.312 1.00 0.00 H new ATOM 954 N ASP A 416 0.882 10.493 5.949 1.00 0.00 N ATOM 955 CA ASP A 416 1.364 11.076 7.194 1.00 0.00 C ATOM 956 C ASP A 416 1.588 9.995 8.244 1.00 0.00 C ATOM 957 O ASP A 416 1.275 10.179 9.420 1.00 0.00 O ATOM 958 CB ASP A 416 0.370 12.113 7.716 1.00 0.00 C ATOM 959 CG ASP A 416 0.172 13.267 6.751 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.814 13.264 5.680 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.624 14.176 7.069 1.00 0.00 O ATOM 0 H ASP A 416 -0.132 10.510 5.840 1.00 0.00 H new ATOM 0 HA ASP A 416 2.316 11.568 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.590 11.630 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.722 12.500 8.672 1.00 0.00 H new ATOM 966 N GLU A 417 2.128 8.866 7.805 1.00 0.00 N ATOM 967 CA GLU A 417 2.397 7.746 8.681 1.00 0.00 C ATOM 968 C GLU A 417 3.554 8.053 9.637 1.00 0.00 C ATOM 969 O GLU A 417 4.032 7.173 10.351 1.00 0.00 O ATOM 970 CB GLU A 417 2.718 6.532 7.814 1.00 0.00 C ATOM 971 CG GLU A 417 2.948 5.254 8.586 1.00 0.00 C ATOM 972 CD GLU A 417 1.723 4.790 9.351 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.260 5.532 10.243 1.00 0.00 O ATOM 974 OE2 GLU A 417 1.226 3.682 9.058 1.00 0.00 O ATOM 0 H GLU A 417 2.390 8.706 6.832 1.00 0.00 H new ATOM 0 HA GLU A 417 1.521 7.545 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.898 6.375 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.607 6.749 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.255 4.470 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 417 3.771 5.403 9.285 1.00 0.00 H new ATOM 981 N THR A 418 3.995 9.311 9.645 1.00 0.00 N ATOM 982 CA THR A 418 5.090 9.740 10.510 1.00 0.00 C ATOM 983 C THR A 418 6.288 8.806 10.380 1.00 0.00 C ATOM 984 O THR A 418 6.813 8.303 11.374 1.00 0.00 O ATOM 985 CB THR A 418 4.653 9.816 11.987 1.00 0.00 C ATOM 986 OG1 THR A 418 4.282 8.518 12.464 1.00 0.00 O ATOM 987 CG2 THR A 418 3.482 10.773 12.150 1.00 0.00 C ATOM 0 H THR A 418 3.608 10.051 9.060 1.00 0.00 H new ATOM 0 HA THR A 418 5.379 10.739 10.184 1.00 0.00 H new ATOM 0 HB THR A 418 5.496 10.185 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.451 7.852 11.765 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.188 10.813 13.199 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.777 11.768 11.817 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.641 10.424 11.551 1.00 0.00 H new ATOM 995 N ALA A 419 6.711 8.573 9.142 1.00 0.00 N ATOM 996 CA ALA A 419 7.840 7.694 8.867 1.00 0.00 C ATOM 997 C ALA A 419 8.589 8.142 7.617 1.00 0.00 C ATOM 998 O ALA A 419 9.806 7.974 7.520 1.00 0.00 O ATOM 999 CB ALA A 419 7.366 6.257 8.716 1.00 0.00 C ATOM 0 H ALA A 419 6.286 8.983 8.310 1.00 0.00 H new ATOM 0 HA ALA A 419 8.528 7.749 9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.220 5.612 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.881 5.935 9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.656 6.193 7.891 1.00 0.00 H new ATOM 1005 N LYS A 420 7.857 8.710 6.662 1.00 0.00 N ATOM 1006 CA LYS A 420 8.461 9.182 5.418 1.00 0.00 C ATOM 1007 C LYS A 420 9.180 10.516 5.625 1.00 0.00 C ATOM 1008 O LYS A 420 9.122 11.402 4.772 1.00 0.00 O ATOM 1009 CB LYS A 420 7.391 9.328 4.333 1.00 0.00 C ATOM 1010 CG LYS A 420 6.663 8.030 4.010 1.00 0.00 C ATOM 1011 CD LYS A 420 7.614 6.943 3.521 1.00 0.00 C ATOM 1012 CE LYS A 420 8.253 7.297 2.184 1.00 0.00 C ATOM 1013 NZ LYS A 420 9.217 8.426 2.299 1.00 0.00 N ATOM 0 H LYS A 420 6.849 8.854 6.724 1.00 0.00 H new ATOM 0 HA LYS A 420 9.197 8.444 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 420 6.662 10.073 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 420 7.858 9.708 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.138 7.679 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 420 5.907 8.219 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.395 6.784 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.070 6.003 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 420 8.768 6.422 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 420 7.473 7.560 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 9.963 8.320 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 8.718 9.326 2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.645 8.422 3.247 1.00 0.00 H new ATOM 1027 N ASP A 421 9.858 10.652 6.761 1.00 0.00 N ATOM 1028 CA ASP A 421 10.588 11.875 7.079 1.00 0.00 C ATOM 1029 C ASP A 421 11.845 12.003 6.223 1.00 0.00 C ATOM 1030 O ASP A 421 12.575 11.032 6.023 1.00 0.00 O ATOM 1031 CB ASP A 421 10.967 11.900 8.562 1.00 0.00 C ATOM 1032 CG ASP A 421 11.894 10.762 8.942 1.00 0.00 C ATOM 1033 OD1 ASP A 421 11.488 9.591 8.793 1.00 0.00 O ATOM 1034 OD2 ASP A 421 13.026 11.043 9.389 1.00 0.00 O ATOM 0 H ASP A 421 9.917 9.929 7.478 1.00 0.00 H new ATOM 0 HA ASP A 421 9.934 12.720 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 421 11.448 12.850 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 421 10.062 11.844 9.166 1.00 0.00 H new ATOM 1039 N GLY A 422 12.095 13.212 5.728 1.00 0.00 N ATOM 1040 CA GLY A 422 13.267 13.452 4.907 1.00 0.00 C ATOM 1041 C GLY A 422 13.409 14.911 4.520 1.00 0.00 C ATOM 1042 O GLY A 422 13.146 15.800 5.330 1.00 0.00 O ATOM 0 H GLY A 422 11.506 14.030 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 422 14.158 13.133 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 422 13.207 12.843 4.005 1.00 0.00 H new ATOM 1046 N LYS A 423 13.825 15.158 3.280 1.00 0.00 N ATOM 1047 CA LYS A 423 14.000 16.521 2.786 1.00 0.00 C ATOM 1048 C LYS A 423 14.381 16.515 1.309 1.00 0.00 C ATOM 1049 O LYS A 423 13.718 17.146 0.484 1.00 0.00 O ATOM 1050 CB LYS A 423 15.078 17.246 3.596 1.00 0.00 C ATOM 1051 CG LYS A 423 15.198 18.728 3.274 1.00 0.00 C ATOM 1052 CD LYS A 423 13.947 19.489 3.685 1.00 0.00 C ATOM 1053 CE LYS A 423 14.071 20.974 3.379 1.00 0.00 C ATOM 1054 NZ LYS A 423 14.276 21.228 1.926 1.00 0.00 N ATOM 0 H LYS A 423 14.047 14.432 2.599 1.00 0.00 H new ATOM 0 HA LYS A 423 13.053 17.048 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 423 14.860 17.131 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 423 16.040 16.766 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 423 16.064 19.144 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 423 15.369 18.857 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 423 13.083 19.080 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 423 13.769 19.350 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 423 13.171 21.490 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 423 14.906 21.392 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 14.136 22.239 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 15.243 20.953 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 13.592 20.670 1.376 1.00 0.00 H new ATOM 1068 N THR A 424 15.451 15.796 0.982 1.00 0.00 N ATOM 1069 CA THR A 424 15.920 15.705 -0.396 1.00 0.00 C ATOM 1070 C THR A 424 15.102 14.692 -1.191 1.00 0.00 C ATOM 1071 O THR A 424 14.913 13.556 -0.758 1.00 0.00 O ATOM 1072 CB THR A 424 17.408 15.305 -0.457 1.00 0.00 C ATOM 1073 OG1 THR A 424 18.202 16.259 0.259 1.00 0.00 O ATOM 1074 CG2 THR A 424 17.889 15.221 -1.898 1.00 0.00 C ATOM 0 H THR A 424 16.009 15.268 1.653 1.00 0.00 H new ATOM 0 HA THR A 424 15.797 16.694 -0.837 1.00 0.00 H new ATOM 0 HB THR A 424 17.515 14.323 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 424 19.145 15.997 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 424 18.941 14.937 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 424 17.303 14.474 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 424 17.767 16.191 -2.379 1.00 0.00 H new ATOM 1082 N GLY A 425 14.626 15.110 -2.359 1.00 0.00 N ATOM 1083 CA GLY A 425 13.841 14.225 -3.201 1.00 0.00 C ATOM 1084 C GLY A 425 13.147 14.959 -4.330 1.00 0.00 C ATOM 1085 O GLY A 425 13.315 14.616 -5.500 1.00 0.00 O ATOM 0 H GLY A 425 14.770 16.046 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 425 14.491 13.455 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 425 13.095 13.716 -2.591 1.00 0.00 H new ATOM 1089 N ASN A 426 12.367 15.976 -3.976 1.00 0.00 N ATOM 1090 CA ASN A 426 11.643 16.771 -4.960 1.00 0.00 C ATOM 1091 C ASN A 426 10.988 17.984 -4.305 1.00 0.00 C ATOM 1092 O ASN A 426 10.378 17.874 -3.242 1.00 0.00 O ATOM 1093 CB ASN A 426 10.588 15.916 -5.669 1.00 0.00 C ATOM 1094 CG ASN A 426 9.642 15.231 -4.702 1.00 0.00 C ATOM 1095 OD1 ASN A 426 8.904 15.884 -3.965 1.00 0.00 O ATOM 1096 ND2 ASN A 426 9.662 13.903 -4.698 1.00 0.00 N ATOM 0 H ASN A 426 12.220 16.269 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 426 12.360 17.127 -5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 426 10.013 16.545 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 426 11.087 15.162 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 426 9.050 13.386 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 426 10.290 13.401 -5.326 1.00 0.00 H new ATOM 1103 N THR A 427 11.124 19.140 -4.946 1.00 0.00 N ATOM 1104 CA THR A 427 10.547 20.374 -4.426 1.00 0.00 C ATOM 1105 C THR A 427 9.026 20.356 -4.527 1.00 0.00 C ATOM 1106 O THR A 427 8.470 19.967 -5.554 1.00 0.00 O ATOM 1107 CB THR A 427 11.089 21.605 -5.175 1.00 0.00 C ATOM 1108 OG1 THR A 427 10.775 21.507 -6.569 1.00 0.00 O ATOM 1109 CG2 THR A 427 12.596 21.724 -4.998 1.00 0.00 C ATOM 0 H THR A 427 11.628 19.248 -5.826 1.00 0.00 H new ATOM 0 HA THR A 427 10.835 20.441 -3.377 1.00 0.00 H new ATOM 0 HB THR A 427 10.617 22.495 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 427 10.297 22.314 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 427 12.957 22.601 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 427 12.831 21.826 -3.939 1.00 0.00 H new ATOM 0 HG23 THR A 427 13.080 20.831 -5.393 1.00 0.00 H new ATOM 1117 N ASN A 428 8.361 20.786 -3.456 1.00 0.00 N ATOM 1118 CA ASN A 428 6.904 20.827 -3.415 1.00 0.00 C ATOM 1119 C ASN A 428 6.424 21.354 -2.068 1.00 0.00 C ATOM 1120 O ASN A 428 5.626 22.289 -2.006 1.00 0.00 O ATOM 1121 CB ASN A 428 6.319 19.434 -3.670 1.00 0.00 C ATOM 1122 CG ASN A 428 4.802 19.433 -3.688 1.00 0.00 C ATOM 1123 OD1 ASN A 428 4.157 19.766 -2.694 1.00 0.00 O ATOM 1124 ND2 ASN A 428 4.225 19.056 -4.822 1.00 0.00 N ATOM 0 H ASN A 428 8.813 21.112 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 428 6.560 21.500 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 428 6.690 19.057 -4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 428 6.670 18.750 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 428 3.208 19.034 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 428 4.799 18.788 -5.622 1.00 0.00 H new ATOM 1131 N THR A 429 6.923 20.753 -0.992 1.00 0.00 N ATOM 1132 CA THR A 429 6.551 21.169 0.354 1.00 0.00 C ATOM 1133 C THR A 429 7.122 22.548 0.669 1.00 0.00 C ATOM 1134 O THR A 429 8.323 22.777 0.529 1.00 0.00 O ATOM 1135 CB THR A 429 7.037 20.159 1.412 1.00 0.00 C ATOM 1136 OG1 THR A 429 6.722 20.633 2.727 1.00 0.00 O ATOM 1137 CG2 THR A 429 8.536 19.923 1.297 1.00 0.00 C ATOM 0 H THR A 429 7.585 19.978 -1.027 1.00 0.00 H new ATOM 0 HA THR A 429 5.462 21.211 0.390 1.00 0.00 H new ATOM 0 HB THR A 429 6.525 19.213 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 429 7.033 19.984 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 429 8.851 19.206 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 429 8.767 19.529 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 429 9.065 20.864 1.446 1.00 0.00 H new ATOM 1145 N THR A 430 6.249 23.462 1.084 1.00 0.00 N ATOM 1146 CA THR A 430 6.653 24.827 1.413 1.00 0.00 C ATOM 1147 C THR A 430 7.564 25.409 0.332 1.00 0.00 C ATOM 1148 O THR A 430 8.482 26.175 0.627 1.00 0.00 O ATOM 1149 CB THR A 430 7.374 24.896 2.775 1.00 0.00 C ATOM 1150 OG1 THR A 430 8.553 24.083 2.754 1.00 0.00 O ATOM 1151 CG2 THR A 430 6.455 24.435 3.898 1.00 0.00 C ATOM 0 H THR A 430 5.252 23.281 1.201 1.00 0.00 H new ATOM 0 HA THR A 430 5.739 25.418 1.470 1.00 0.00 H new ATOM 0 HB THR A 430 7.655 25.933 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 430 8.769 23.844 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 430 6.985 24.492 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 430 5.575 25.077 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 430 6.146 23.406 3.716 1.00 0.00 H new ATOM 1159 N GLY A 431 7.300 25.039 -0.919 1.00 0.00 N ATOM 1160 CA GLY A 431 8.100 25.531 -2.025 1.00 0.00 C ATOM 1161 C GLY A 431 7.526 25.137 -3.372 1.00 0.00 C ATOM 1162 O GLY A 431 7.102 23.997 -3.563 1.00 0.00 O ATOM 0 H GLY A 431 6.545 24.407 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 431 8.168 26.617 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 431 9.115 25.142 -1.937 1.00 0.00 H new ATOM 1166 N SER A 432 7.511 26.083 -4.307 1.00 0.00 N ATOM 1167 CA SER A 432 6.982 25.831 -5.644 1.00 0.00 C ATOM 1168 C SER A 432 7.720 24.677 -6.313 1.00 0.00 C ATOM 1169 O SER A 432 8.948 24.609 -6.279 1.00 0.00 O ATOM 1170 CB SER A 432 7.095 27.091 -6.503 1.00 0.00 C ATOM 1171 OG SER A 432 8.445 27.504 -6.628 1.00 0.00 O ATOM 0 H SER A 432 7.859 27.031 -4.163 1.00 0.00 H new ATOM 0 HA SER A 432 5.931 25.557 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 432 6.677 26.900 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 432 6.506 27.893 -6.057 1.00 0.00 H new ATOM 0 HG SER A 432 8.490 28.310 -7.183 1.00 0.00 H new ATOM 1177 N SER A 433 6.959 23.771 -6.921 1.00 0.00 N ATOM 1178 CA SER A 433 7.536 22.617 -7.600 1.00 0.00 C ATOM 1179 C SER A 433 8.449 23.055 -8.740 1.00 0.00 C ATOM 1180 O SER A 433 9.572 22.518 -8.838 1.00 0.00 O ATOM 1181 CB SER A 433 6.429 21.707 -8.135 1.00 0.00 C ATOM 1182 OG SER A 433 5.601 22.396 -9.057 1.00 0.00 O ATOM 1183 OXT SER A 433 8.033 23.933 -9.525 1.00 0.00 O ATOM 0 H SER A 433 5.941 23.815 -6.957 1.00 0.00 H new ATOM 0 HA SER A 433 8.133 22.062 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 433 6.872 20.837 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 433 5.826 21.337 -7.306 1.00 0.00 H new ATOM 0 HG SER A 433 6.099 23.144 -9.448 1.00 0.00 H new TER 1189 SER A 433