USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 980 hydrogens (25 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 NoAdj-H: A 130 1RGHOAU : A 130 1RG OAU : A 130 1RG CAM :(short bond) USER MOD NoAdj-H: A 130 1RG HAA : A 130 1RG CAA : A 442 CYS SG :(H bumps) USER MOD Set 1.1: A 411 MET CE :methyl 143:sc= -3.24! (180deg=-5.04!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.26! (180deg=-6.37!) USER MOD Set 2.1: A 426 GLN : amide:sc= -4.02 K(o=-4,f=-11!) USER MOD Set 2.2: A 439 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 421 HIS : +bothHN:sc= -3.96! C(o=-5.4!,f=-6.3!) USER MOD Set 3.2: A 444 ASN :FLIP amide:sc= -1.43 F(o=-6.9,f=-5.4) USER MOD Set 4.1: A 397 ASN :FLIP amide:sc= -0.0386 F(o=-2.5,f=-1.3) USER MOD Set 4.2: A 401 THR OG1 : rot 43:sc= -0.246 USER MOD Set 4.3: A 440 HIS : no HE2:sc= -1.06 K(o=-1.3,f=-2.9!) USER MOD Set 5.1: A 356 TYR OH : rot -31:sc= -0.774 USER MOD Set 5.2: A 358 LYS NZ :NH3+ -152:sc= 1.24 (180deg=-0.0324) USER MOD Set 6.1: A 130 1RG OAG : rot 100:sc= 0 USER MOD Set 6.2: A 403 TYR OH : rot 70:sc= -2.65! USER MOD Single : A 130 1RG OBF : rot 165:sc= 0 USER MOD Single : A 339 HIS : no HD1:sc= -4.83! C(o=-4.8!,f=-5!) USER MOD Single : A 340 MET CE :methyl 175:sc= -5.4! (180deg=-5.75!) USER MOD Single : A 343 THR OG1 : rot -11:sc= 1.04 USER MOD Single : A 344 TYR OH : rot 90:sc= 0.361 USER MOD Single : A 351 ASN :FLIP amide:sc= -1.56 F(o=-2.3!,f=-1.6) USER MOD Single : A 352 GLN :FLIP amide:sc= -1.13 F(o=-2.7!,f=-1.1) USER MOD Single : A 353 HIS : no HE2:sc= -6.43! C(o=-6.4!,f=-6.3!) USER MOD Single : A 354 MET CE :methyl -123:sc= -5.38! (180deg=-6.46!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 41:sc= -5.92! USER MOD Single : A 370 SER OG : rot 141:sc= -0.663 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 170:sc= -2.06 USER MOD Single : A 375 THR OG1 : rot 108:sc= 0.656 USER MOD Single : A 377 THR OG1 : rot -9:sc= 0.928 USER MOD Single : A 383 TYR OH : rot -81:sc= 1.19 USER MOD Single : A 386 ASN :FLIP amide:sc= -1.27 F(o=-2.5!,f=-1.3) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot -83:sc= 1.24 USER MOD Single : A 423 SER OG : rot 100:sc= -0.67! USER MOD Single : A 429 TYR OH : rot -146:sc= -2.39! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.423 USER MOD Single : A 448 SER OG : rot 180:sc= -0.2 USER MOD Single : A 451 LYS NZ :NH3+ -113:sc= 1.23 (180deg=-0.486) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.7! (180deg=-29.2!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -150:sc= -1.4! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 15.016 3.184 13.351 1.00 1.87 N ATOM 2 CA GLY A 338 13.552 3.025 13.518 1.00 1.09 C ATOM 3 C GLY A 338 13.050 1.694 12.995 1.00 1.10 C ATOM 4 O GLY A 338 12.299 0.994 13.678 1.00 1.67 O ATOM 0 HA2 GLY A 338 13.298 3.116 14.574 1.00 1.09 H new ATOM 0 HA3 GLY A 338 13.040 3.833 12.996 1.00 1.09 H new ATOM 10 N HIS A 339 13.452 1.342 11.780 1.00 0.72 N ATOM 11 CA HIS A 339 13.060 0.070 11.186 1.00 0.65 C ATOM 12 C HIS A 339 14.142 -0.486 10.289 1.00 0.55 C ATOM 13 O HIS A 339 14.307 -0.033 9.154 1.00 0.84 O ATOM 14 CB HIS A 339 11.763 0.161 10.368 1.00 0.81 C ATOM 15 CG HIS A 339 11.548 1.452 9.635 1.00 0.45 C ATOM 16 ND1 HIS A 339 11.384 2.674 10.257 1.00 0.51 N ATOM 17 CD2 HIS A 339 11.450 1.693 8.320 1.00 0.32 C ATOM 18 CE1 HIS A 339 11.202 3.609 9.342 1.00 0.38 C ATOM 19 NE2 HIS A 339 11.246 3.041 8.159 1.00 0.47 N ATOM 0 H HIS A 339 14.049 1.919 11.187 1.00 0.72 H new ATOM 0 HA HIS A 339 12.894 -0.595 12.033 1.00 0.65 H new ATOM 0 HB2 HIS A 339 11.754 -0.653 9.643 1.00 0.81 H new ATOM 0 HB3 HIS A 339 10.919 0.000 11.039 1.00 0.81 H new ATOM 0 HD2 HIS A 339 11.519 0.960 7.530 1.00 0.32 H new ATOM 0 HE1 HIS A 339 11.044 4.660 9.534 1.00 0.38 H new ATOM 0 HE2 HIS A 339 11.145 3.523 7.266 1.00 0.47 H new ATOM 28 N MET A 340 14.872 -1.467 10.813 1.00 0.43 N ATOM 29 CA MET A 340 15.767 -2.282 10.000 1.00 0.31 C ATOM 30 C MET A 340 16.911 -1.472 9.397 1.00 0.33 C ATOM 31 O MET A 340 17.176 -0.341 9.808 1.00 0.43 O ATOM 32 CB MET A 340 14.963 -2.927 8.872 1.00 0.26 C ATOM 33 CG MET A 340 14.703 -4.398 9.041 1.00 0.67 C ATOM 34 SD MET A 340 14.874 -5.302 7.485 1.00 0.61 S ATOM 35 CE MET A 340 13.832 -4.320 6.411 1.00 0.17 C ATOM 0 H MET A 340 14.860 -1.717 11.802 1.00 0.43 H new ATOM 0 HA MET A 340 16.208 -3.037 10.651 1.00 0.31 H new ATOM 0 HB2 MET A 340 14.007 -2.411 8.786 1.00 0.26 H new ATOM 0 HB3 MET A 340 15.494 -2.772 7.933 1.00 0.26 H new ATOM 0 HG2 MET A 340 15.397 -4.806 9.775 1.00 0.67 H new ATOM 0 HG3 MET A 340 13.698 -4.545 9.437 1.00 0.67 H new ATOM 0 HE1 MET A 340 13.903 -4.698 5.391 1.00 0.17 H new ATOM 0 HE2 MET A 340 12.798 -4.383 6.750 1.00 0.17 H new ATOM 0 HE3 MET A 340 14.160 -3.281 6.437 1.00 0.17 H new ATOM 45 N GLU A 341 17.625 -2.092 8.463 1.00 0.29 N ATOM 46 CA GLU A 341 18.481 -1.372 7.539 1.00 0.35 C ATOM 47 C GLU A 341 17.670 -0.347 6.782 1.00 0.30 C ATOM 48 O GLU A 341 16.436 -0.391 6.793 1.00 0.36 O ATOM 49 CB GLU A 341 19.090 -2.347 6.566 1.00 0.43 C ATOM 50 CG GLU A 341 20.441 -2.813 6.987 1.00 1.31 C ATOM 51 CD GLU A 341 21.030 -3.833 6.038 1.00 1.61 C ATOM 52 OE1 GLU A 341 20.670 -5.026 6.144 1.00 1.82 O ATOM 53 OE2 GLU A 341 21.848 -3.452 5.177 1.00 1.85 O1- ATOM 0 H GLU A 341 17.624 -3.103 8.329 1.00 0.29 H new ATOM 0 HA GLU A 341 19.269 -0.865 8.096 1.00 0.35 H new ATOM 0 HB2 GLU A 341 18.430 -3.208 6.460 1.00 0.43 H new ATOM 0 HB3 GLU A 341 19.162 -1.878 5.585 1.00 0.43 H new ATOM 0 HG2 GLU A 341 21.111 -1.956 7.054 1.00 1.31 H new ATOM 0 HG3 GLU A 341 20.376 -3.246 7.985 1.00 1.31 H new ATOM 60 N ASP A 342 18.341 0.578 6.113 1.00 0.24 N ATOM 61 CA ASP A 342 17.596 1.598 5.410 1.00 0.20 C ATOM 62 C ASP A 342 17.084 1.028 4.107 1.00 0.17 C ATOM 63 O ASP A 342 17.674 1.218 3.043 1.00 0.19 O ATOM 64 CB ASP A 342 18.440 2.845 5.123 1.00 0.22 C ATOM 65 CG ASP A 342 19.112 3.413 6.358 1.00 0.31 C ATOM 66 OD1 ASP A 342 20.110 2.819 6.823 1.00 0.43 O1- ATOM 67 OD2 ASP A 342 18.649 4.454 6.872 1.00 0.39 O ATOM 0 H ASP A 342 19.357 0.641 6.045 1.00 0.24 H new ATOM 0 HA ASP A 342 16.769 1.904 6.050 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.203 2.597 4.385 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.804 3.611 4.679 1.00 0.22 H new ATOM 72 N THR A 343 15.972 0.333 4.216 1.00 0.13 N ATOM 73 CA THR A 343 15.196 -0.114 3.086 1.00 0.10 C ATOM 74 C THR A 343 13.788 -0.417 3.545 1.00 0.08 C ATOM 75 O THR A 343 13.606 -1.051 4.586 1.00 0.10 O ATOM 76 CB THR A 343 15.758 -1.366 2.408 1.00 0.11 C ATOM 77 OG1 THR A 343 17.073 -1.113 1.894 1.00 0.14 O ATOM 78 CG2 THR A 343 14.819 -1.769 1.286 1.00 0.08 C ATOM 0 H THR A 343 15.576 0.058 5.115 1.00 0.13 H new ATOM 0 HA THR A 343 15.226 0.692 2.353 1.00 0.10 H new ATOM 0 HB THR A 343 15.835 -2.175 3.135 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.260 -0.152 1.933 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.205 -2.661 0.791 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.831 -1.980 1.696 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.746 -0.956 0.563 1.00 0.08 H new ATOM 86 N TYR A 344 12.805 0.015 2.776 1.00 0.07 N ATOM 87 CA TYR A 344 11.416 -0.163 3.163 1.00 0.06 C ATOM 88 C TYR A 344 10.492 0.522 2.195 1.00 0.06 C ATOM 89 O TYR A 344 10.899 1.403 1.466 1.00 0.06 O ATOM 90 CB TYR A 344 11.181 0.447 4.531 1.00 0.08 C ATOM 91 CG TYR A 344 11.591 1.901 4.630 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.902 2.227 4.925 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.685 2.935 4.437 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.308 3.539 5.027 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.078 4.249 4.537 1.00 0.11 C ATOM 96 CZ TYR A 344 12.390 4.550 4.835 1.00 0.13 C ATOM 97 OH TYR A 344 12.784 5.864 4.928 1.00 0.15 O ATOM 0 H TYR A 344 12.941 0.490 1.883 1.00 0.07 H new ATOM 0 HA TYR A 344 11.212 -1.234 3.172 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.124 0.359 4.781 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.733 -0.128 5.275 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.622 1.437 5.079 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.656 2.704 4.205 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.337 3.774 5.256 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.362 5.042 4.383 1.00 0.11 H new ATOM 0 HH TYR A 344 13.080 6.180 4.049 1.00 0.15 H new ATOM 107 N ILE A 345 9.253 0.094 2.169 1.00 0.06 N ATOM 108 CA ILE A 345 8.222 0.876 1.549 1.00 0.06 C ATOM 109 C ILE A 345 7.824 1.978 2.474 1.00 0.07 C ATOM 110 O ILE A 345 7.914 1.839 3.687 1.00 0.08 O ATOM 111 CB ILE A 345 6.949 0.091 1.225 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.240 -1.391 1.194 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.436 0.528 -0.122 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.295 -1.720 0.225 1.00 0.05 C ATOM 0 H ILE A 345 8.939 -0.790 2.570 1.00 0.06 H new ATOM 0 HA ILE A 345 8.646 1.233 0.611 1.00 0.06 H new ATOM 0 HB ILE A 345 6.201 0.286 1.994 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.542 -1.723 2.187 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.330 -1.935 0.939 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.528 -0.026 -0.363 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.215 1.595 -0.098 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.193 0.331 -0.881 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.474 -2.795 0.233 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.982 -1.412 -0.773 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.213 -1.197 0.495 1.00 0.05 H new ATOM 126 N GLU A 346 7.361 3.043 1.903 1.00 0.09 N ATOM 127 CA GLU A 346 6.991 4.202 2.667 1.00 0.12 C ATOM 128 C GLU A 346 5.870 4.933 1.960 1.00 0.17 C ATOM 129 O GLU A 346 5.785 4.894 0.754 1.00 0.21 O ATOM 130 CB GLU A 346 8.198 5.109 2.795 1.00 0.15 C ATOM 131 CG GLU A 346 7.903 6.294 3.664 1.00 0.13 C ATOM 132 CD GLU A 346 9.015 7.314 3.751 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.012 7.053 4.454 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.924 8.360 3.069 1.00 1.53 O ATOM 0 H GLU A 346 7.227 3.139 0.896 1.00 0.09 H new ATOM 0 HA GLU A 346 6.651 3.904 3.659 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.034 4.548 3.214 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.506 5.449 1.806 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.006 6.787 3.288 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.675 5.941 4.670 1.00 0.13 H new ATOM 141 N VAL A 347 4.967 5.531 2.709 1.00 0.17 N ATOM 142 CA VAL A 347 3.899 6.292 2.110 1.00 0.17 C ATOM 143 C VAL A 347 3.653 7.578 2.867 1.00 0.20 C ATOM 144 O VAL A 347 4.108 7.743 3.987 1.00 0.45 O ATOM 145 CB VAL A 347 2.574 5.522 2.060 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.668 6.160 1.037 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.781 4.049 1.750 1.00 0.15 C ATOM 0 H VAL A 347 4.954 5.503 3.729 1.00 0.17 H new ATOM 0 HA VAL A 347 4.229 6.499 1.092 1.00 0.17 H new ATOM 0 HB VAL A 347 2.111 5.573 3.045 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.724 5.616 0.997 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.478 7.197 1.315 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.146 6.129 0.058 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.816 3.543 1.725 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.270 3.946 0.781 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.406 3.599 2.521 1.00 0.15 H new ATOM 157 N ASP A 348 2.973 8.488 2.207 1.00 0.10 N ATOM 158 CA ASP A 348 2.509 9.719 2.787 1.00 0.09 C ATOM 159 C ASP A 348 1.118 9.985 2.237 1.00 0.08 C ATOM 160 O ASP A 348 0.945 10.320 1.081 1.00 0.10 O ATOM 161 CB ASP A 348 3.462 10.854 2.398 1.00 0.12 C ATOM 162 CG ASP A 348 3.187 12.120 3.171 1.00 0.16 C ATOM 163 OD1 ASP A 348 1.999 12.417 3.443 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.158 12.809 3.546 1.00 0.24 O ATOM 0 H ASP A 348 2.722 8.385 1.224 1.00 0.10 H new ATOM 0 HA ASP A 348 2.478 9.655 3.875 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.490 10.539 2.574 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.369 11.055 1.331 1.00 0.12 H new ATOM 169 N LEU A 349 0.141 9.782 3.091 1.00 0.08 N ATOM 170 CA LEU A 349 -1.275 9.715 2.716 1.00 0.09 C ATOM 171 C LEU A 349 -1.841 11.079 2.581 1.00 0.12 C ATOM 172 O LEU A 349 -2.732 11.347 1.793 1.00 0.16 O ATOM 173 CB LEU A 349 -2.044 8.998 3.806 1.00 0.10 C ATOM 174 CG LEU A 349 -1.404 7.713 4.248 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.726 7.061 3.073 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.416 8.006 5.334 1.00 0.08 C ATOM 0 H LEU A 349 0.300 9.655 4.090 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.357 9.187 1.766 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.141 9.660 4.666 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.052 8.788 3.450 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.160 7.030 4.634 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.261 6.128 3.393 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.463 6.852 2.298 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.038 7.730 2.677 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.053 7.077 5.660 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.348 8.685 4.957 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.929 8.469 6.177 1.00 0.08 H new ATOM 188 N GLU A 350 -1.322 11.890 3.464 1.00 0.13 N ATOM 189 CA GLU A 350 -1.612 13.301 3.556 1.00 0.15 C ATOM 190 C GLU A 350 -1.299 13.928 2.240 1.00 0.14 C ATOM 191 O GLU A 350 -1.998 14.794 1.721 1.00 0.17 O ATOM 192 CB GLU A 350 -0.683 13.880 4.586 1.00 0.18 C ATOM 193 CG GLU A 350 -0.514 13.002 5.761 1.00 0.19 C ATOM 194 CD GLU A 350 -0.563 13.751 7.075 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.421 14.439 7.411 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.589 13.665 7.780 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.657 11.574 4.170 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.655 13.475 3.821 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.290 14.061 4.130 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -1.067 14.847 4.912 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.295 12.242 5.754 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.440 12.480 5.683 1.00 0.19 H new ATOM 203 N ASN A 351 -0.156 13.490 1.778 1.00 0.12 N ATOM 204 CA ASN A 351 0.464 14.003 0.565 1.00 0.11 C ATOM 205 C ASN A 351 0.236 13.064 -0.596 1.00 0.09 C ATOM 206 O ASN A 351 0.782 13.238 -1.689 1.00 0.10 O ATOM 207 CB ASN A 351 1.952 14.197 0.818 1.00 0.13 C ATOM 208 CG ASN A 351 2.176 15.296 1.818 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.055 14.952 3.078 1.00 0.20 O flip ATOM 210 ND2 ASN A 351 2.424 16.447 1.463 1.00 0.18 N flip ATOM 0 H ASN A 351 0.385 12.756 2.235 1.00 0.12 H new ATOM 0 HA ASN A 351 0.011 14.959 0.304 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.389 13.268 1.185 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.457 14.439 -0.117 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.509 16.668 0.471 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.545 17.181 2.161 1.00 0.18 H new ATOM 217 N GLN A 352 -0.591 12.066 -0.291 1.00 0.08 N ATOM 218 CA GLN A 352 -0.937 10.960 -1.176 1.00 0.08 C ATOM 219 C GLN A 352 0.208 10.535 -2.074 1.00 0.07 C ATOM 220 O GLN A 352 0.105 10.567 -3.297 1.00 0.08 O ATOM 221 CB GLN A 352 -2.178 11.240 -2.011 1.00 0.12 C ATOM 222 CG GLN A 352 -3.435 11.437 -1.192 1.00 0.21 C ATOM 223 CD GLN A 352 -3.619 12.864 -0.700 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.108 13.833 -1.442 1.00 2.15 O flip ATOM 225 NE2 GLN A 352 -4.224 13.093 0.342 1.00 1.89 N flip ATOM 0 H GLN A 352 -1.055 12.005 0.615 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.159 10.129 -0.506 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.005 12.132 -2.614 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.333 10.412 -2.703 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.299 11.154 -1.793 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.409 10.765 -0.334 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.605 12.322 0.890 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.346 14.054 0.660 1.00 1.89 H new ATOM 234 N HIS A 353 1.279 10.090 -1.461 1.00 0.05 N ATOM 235 CA HIS A 353 2.436 9.643 -2.199 1.00 0.05 C ATOM 236 C HIS A 353 3.053 8.441 -1.525 1.00 0.06 C ATOM 237 O HIS A 353 3.220 8.415 -0.324 1.00 0.07 O ATOM 238 CB HIS A 353 3.445 10.776 -2.307 1.00 0.06 C ATOM 239 CG HIS A 353 4.509 10.520 -3.317 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.455 10.939 -4.631 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.640 9.829 -3.195 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.528 10.491 -5.269 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.266 9.820 -4.408 1.00 0.07 N ATOM 0 H HIS A 353 1.373 10.028 -0.447 1.00 0.05 H new ATOM 0 HA HIS A 353 2.130 9.350 -3.203 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.922 11.697 -2.566 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.908 10.935 -1.333 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.711 11.502 -5.044 1.00 0.09 H new ATOM 0 HD2 HIS A 353 6.000 9.357 -2.293 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.757 10.649 -6.313 1.00 0.09 H new ATOM 252 N MET A 354 3.362 7.440 -2.315 1.00 0.05 N ATOM 253 CA MET A 354 3.956 6.236 -1.821 1.00 0.06 C ATOM 254 C MET A 354 5.382 6.114 -2.346 1.00 0.05 C ATOM 255 O MET A 354 5.720 6.652 -3.396 1.00 0.06 O ATOM 256 CB MET A 354 3.146 5.020 -2.231 1.00 0.07 C ATOM 257 CG MET A 354 3.511 3.778 -1.455 1.00 0.07 C ATOM 258 SD MET A 354 3.828 2.356 -2.503 1.00 0.06 S ATOM 259 CE MET A 354 5.007 3.063 -3.646 1.00 0.05 C ATOM 0 H MET A 354 3.205 7.445 -3.323 1.00 0.05 H new ATOM 0 HA MET A 354 3.971 6.281 -0.732 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.086 5.232 -2.089 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.294 4.834 -3.295 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.396 3.981 -0.852 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.703 3.539 -0.764 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.636 2.955 -4.665 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.144 4.120 -3.420 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.961 2.545 -3.551 1.00 0.05 H new ATOM 269 N TRP A 355 6.186 5.382 -1.621 1.00 0.05 N ATOM 270 CA TRP A 355 7.604 5.238 -1.891 1.00 0.07 C ATOM 271 C TRP A 355 8.053 3.825 -1.654 1.00 0.07 C ATOM 272 O TRP A 355 7.468 3.108 -0.858 1.00 0.11 O ATOM 273 CB TRP A 355 8.441 6.090 -0.936 1.00 0.08 C ATOM 274 CG TRP A 355 8.362 7.542 -1.161 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.104 8.281 -2.000 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.506 8.424 -0.487 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.735 9.595 -1.925 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.740 9.709 -0.970 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.550 8.233 0.477 1.00 0.08 C ATOM 280 CZ2 TRP A 355 7.017 10.801 -0.484 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.863 9.278 0.945 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.087 10.558 0.475 1.00 0.09 C ATOM 0 H TRP A 355 5.872 4.855 -0.806 1.00 0.05 H new ATOM 0 HA TRP A 355 7.744 5.543 -2.928 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.125 5.879 0.086 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.483 5.782 -1.018 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.881 7.893 -2.642 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.125 10.359 -2.477 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.353 7.241 0.856 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.191 11.800 -0.857 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.115 9.119 1.708 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.512 11.379 0.877 1.00 0.09 H new ATOM 293 N TYR A 356 9.099 3.441 -2.331 1.00 0.04 N ATOM 294 CA TYR A 356 9.968 2.424 -1.819 1.00 0.04 C ATOM 295 C TYR A 356 11.243 3.098 -1.474 1.00 0.04 C ATOM 296 O TYR A 356 11.630 4.067 -2.099 1.00 0.05 O ATOM 297 CB TYR A 356 10.285 1.371 -2.811 1.00 0.03 C ATOM 298 CG TYR A 356 11.180 0.281 -2.242 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.653 -0.744 -1.496 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.535 0.254 -2.498 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.433 -1.767 -1.045 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.334 -0.766 -2.030 1.00 0.10 C ATOM 303 CZ TYR A 356 12.769 -1.780 -1.311 1.00 0.05 C ATOM 304 OH TYR A 356 13.535 -2.837 -0.896 1.00 0.26 O ATOM 0 H TYR A 356 9.369 3.819 -3.239 1.00 0.04 H new ATOM 0 HA TYR A 356 9.472 1.943 -0.976 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.358 0.924 -3.170 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.774 1.825 -3.673 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.599 -0.740 -1.262 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.979 1.050 -3.078 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.990 -2.570 -0.475 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.395 -0.764 -2.230 1.00 0.10 H new ATOM 0 HH TYR A 356 13.161 -3.207 -0.069 1.00 0.26 H new ATOM 314 N TYR A 357 11.898 2.543 -0.539 1.00 0.05 N ATOM 315 CA TYR A 357 13.125 3.093 -0.037 1.00 0.06 C ATOM 316 C TYR A 357 14.203 2.051 -0.040 1.00 0.06 C ATOM 317 O TYR A 357 14.113 1.049 0.652 1.00 0.07 O ATOM 318 CB TYR A 357 12.966 3.637 1.376 1.00 0.07 C ATOM 319 CG TYR A 357 12.657 5.106 1.452 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.359 5.591 1.304 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.680 6.012 1.672 1.00 0.10 C ATOM 322 CE1 TYR A 357 11.095 6.951 1.375 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.431 7.358 1.745 1.00 0.11 C ATOM 324 CZ TYR A 357 12.143 7.830 1.597 1.00 0.11 C ATOM 325 OH TYR A 357 11.910 9.183 1.665 1.00 0.14 O ATOM 0 H TYR A 357 11.609 1.679 -0.080 1.00 0.05 H new ATOM 0 HA TYR A 357 13.400 3.917 -0.696 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.169 3.086 1.876 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.884 3.443 1.931 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.548 4.899 1.132 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.692 5.652 1.788 1.00 0.10 H new ATOM 0 HE1 TYR A 357 10.087 7.320 1.259 1.00 0.10 H new ATOM 0 HE2 TYR A 357 14.243 8.049 1.918 1.00 0.11 H new ATOM 0 HH TYR A 357 12.755 9.653 1.827 1.00 0.14 H new ATOM 335 N LYS A 358 15.201 2.294 -0.835 1.00 0.07 N ATOM 336 CA LYS A 358 16.416 1.529 -0.795 1.00 0.09 C ATOM 337 C LYS A 358 17.510 2.485 -0.394 1.00 0.13 C ATOM 338 O LYS A 358 17.537 3.601 -0.846 1.00 0.25 O ATOM 339 CB LYS A 358 16.745 0.926 -2.145 1.00 0.11 C ATOM 340 CG LYS A 358 17.722 -0.205 -2.043 1.00 0.12 C ATOM 341 CD LYS A 358 17.041 -1.367 -1.441 1.00 0.09 C ATOM 342 CE LYS A 358 16.484 -2.222 -2.527 1.00 0.09 C ATOM 343 NZ LYS A 358 15.950 -3.514 -2.024 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.197 3.034 -1.536 1.00 0.07 H new ATOM 0 HA LYS A 358 16.311 0.702 -0.093 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.828 0.569 -2.614 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.155 1.699 -2.795 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.106 -0.462 -3.030 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.577 0.089 -1.434 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.741 -1.940 -0.833 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.243 -1.033 -0.778 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.689 -1.680 -3.039 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.262 -2.418 -3.265 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 16.018 -4.233 -2.773 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.503 -3.820 -1.198 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 14.954 -3.394 -1.748 1.00 0.10 H new ATOM 357 N ASP A 359 18.393 2.037 0.470 1.00 0.13 N ATOM 358 CA ASP A 359 19.591 2.797 0.845 1.00 0.16 C ATOM 359 C ASP A 359 19.285 4.039 1.644 1.00 0.16 C ATOM 360 O ASP A 359 20.137 4.910 1.806 1.00 0.28 O ATOM 361 CB ASP A 359 20.396 3.217 -0.363 1.00 0.19 C ATOM 362 CG ASP A 359 21.869 2.886 -0.227 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.259 1.737 -0.530 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.646 3.776 0.184 1.00 0.39 O1- ATOM 0 H ASP A 359 18.312 1.135 0.940 1.00 0.13 H new ATOM 0 HA ASP A 359 20.165 2.108 1.465 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.997 2.724 -1.250 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.281 4.290 -0.516 1.00 0.19 H new ATOM 369 N GLY A 360 18.083 4.082 2.192 1.00 0.15 N ATOM 370 CA GLY A 360 17.610 5.278 2.860 1.00 0.15 C ATOM 371 C GLY A 360 17.179 6.342 1.909 1.00 0.14 C ATOM 372 O GLY A 360 16.893 7.476 2.291 1.00 0.18 O ATOM 0 H GLY A 360 17.421 3.306 2.187 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.774 5.019 3.510 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.402 5.668 3.499 1.00 0.15 H new ATOM 376 N LYS A 361 17.110 5.952 0.678 1.00 0.13 N ATOM 377 CA LYS A 361 16.691 6.803 -0.391 1.00 0.13 C ATOM 378 C LYS A 361 15.644 6.005 -1.130 1.00 0.09 C ATOM 379 O LYS A 361 15.340 4.899 -0.717 1.00 0.12 O ATOM 380 CB LYS A 361 17.914 7.085 -1.230 1.00 0.16 C ATOM 381 CG LYS A 361 18.384 5.880 -2.004 1.00 0.17 C ATOM 382 CD LYS A 361 19.424 6.226 -3.019 1.00 0.23 C ATOM 383 CE LYS A 361 18.877 7.220 -4.015 1.00 0.26 C ATOM 384 NZ LYS A 361 19.660 7.240 -5.278 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.350 5.007 0.379 1.00 0.13 H new ATOM 0 HA LYS A 361 16.272 7.762 -0.087 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.692 7.894 -1.926 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.720 7.432 -0.584 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.788 5.141 -1.311 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.533 5.417 -2.503 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.301 6.643 -2.523 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.750 5.324 -3.537 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.839 6.974 -4.237 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.881 8.216 -3.571 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.248 7.937 -5.931 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.646 7.500 -5.071 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.635 6.297 -5.717 1.00 0.37 H new ATOM 398 N VAL A 362 15.032 6.524 -2.158 1.00 0.09 N ATOM 399 CA VAL A 362 13.968 5.755 -2.752 1.00 0.07 C ATOM 400 C VAL A 362 14.276 5.093 -4.042 1.00 0.07 C ATOM 401 O VAL A 362 15.151 5.486 -4.816 1.00 0.10 O ATOM 402 CB VAL A 362 12.675 6.508 -2.913 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.266 7.046 -1.593 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.770 7.588 -3.923 1.00 0.09 C ATOM 0 H VAL A 362 15.234 7.428 -2.586 1.00 0.09 H new ATOM 0 HA VAL A 362 13.852 4.974 -2.001 1.00 0.07 H new ATOM 0 HB VAL A 362 11.918 5.816 -3.282 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.330 7.594 -1.698 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.128 6.223 -0.891 1.00 0.07 H new ATOM 0 HG13 VAL A 362 13.039 7.717 -1.218 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.811 8.100 -4.000 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.538 8.301 -3.623 1.00 0.09 H new ATOM 0 HG23 VAL A 362 13.031 7.159 -4.891 1.00 0.09 H new ATOM 414 N ALA A 363 13.462 4.086 -4.249 1.00 0.05 N ATOM 415 CA ALA A 363 13.514 3.257 -5.388 1.00 0.05 C ATOM 416 C ALA A 363 12.297 3.559 -6.188 1.00 0.05 C ATOM 417 O ALA A 363 12.243 3.421 -7.407 1.00 0.07 O ATOM 418 CB ALA A 363 13.500 1.810 -4.955 1.00 0.05 C ATOM 0 H ALA A 363 12.725 3.827 -3.594 1.00 0.05 H new ATOM 0 HA ALA A 363 14.419 3.432 -5.971 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.540 1.167 -5.834 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.364 1.612 -4.321 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.586 1.606 -4.397 1.00 0.05 H new ATOM 424 N LEU A 364 11.314 3.977 -5.430 1.00 0.04 N ATOM 425 CA LEU A 364 10.019 4.258 -5.929 1.00 0.04 C ATOM 426 C LEU A 364 9.513 5.546 -5.416 1.00 0.05 C ATOM 427 O LEU A 364 9.757 5.941 -4.278 1.00 0.06 O ATOM 428 CB LEU A 364 9.094 3.160 -5.500 1.00 0.04 C ATOM 429 CG LEU A 364 8.389 2.482 -6.623 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.391 2.147 -7.682 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.743 1.244 -6.118 1.00 0.05 C ATOM 0 H LEU A 364 11.409 4.131 -4.426 1.00 0.04 H new ATOM 0 HA LEU A 364 10.069 4.322 -7.016 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.664 2.417 -4.942 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.352 3.572 -4.816 1.00 0.04 H new ATOM 0 HG LEU A 364 7.622 3.134 -7.041 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.890 1.649 -8.512 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.863 3.062 -8.039 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.151 1.485 -7.267 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.225 0.744 -6.937 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.503 0.578 -5.708 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.026 1.500 -5.338 1.00 0.05 H new ATOM 443 N GLU A 365 8.789 6.171 -6.277 1.00 0.05 N ATOM 444 CA GLU A 365 8.131 7.375 -5.979 1.00 0.06 C ATOM 445 C GLU A 365 6.835 7.263 -6.676 1.00 0.05 C ATOM 446 O GLU A 365 6.798 7.135 -7.899 1.00 0.07 O ATOM 447 CB GLU A 365 8.938 8.504 -6.555 1.00 0.10 C ATOM 448 CG GLU A 365 9.143 9.672 -5.618 1.00 0.16 C ATOM 449 CD GLU A 365 10.244 10.595 -6.086 1.00 0.27 C ATOM 450 OE1 GLU A 365 10.023 11.351 -7.054 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.334 10.571 -5.479 1.00 0.48 O ATOM 0 H GLU A 365 8.640 5.842 -7.231 1.00 0.05 H new ATOM 0 HA GLU A 365 8.004 7.557 -4.912 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.913 8.120 -6.855 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.445 8.862 -7.459 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.213 10.234 -5.532 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.383 9.299 -4.622 1.00 0.16 H new ATOM 458 N THR A 366 5.774 7.285 -5.948 1.00 0.05 N ATOM 459 CA THR A 366 4.539 7.192 -6.593 1.00 0.06 C ATOM 460 C THR A 366 3.477 7.909 -5.832 1.00 0.06 C ATOM 461 O THR A 366 3.611 8.194 -4.668 1.00 0.07 O ATOM 462 CB THR A 366 4.171 5.723 -6.804 1.00 0.06 C ATOM 463 OG1 THR A 366 3.573 5.546 -8.069 1.00 0.07 O ATOM 464 CG2 THR A 366 3.216 5.257 -5.743 1.00 0.07 C ATOM 0 H THR A 366 5.747 7.365 -4.931 1.00 0.05 H new ATOM 0 HA THR A 366 4.619 7.674 -7.567 1.00 0.06 H new ATOM 0 HB THR A 366 5.087 5.136 -6.745 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.048 6.086 -8.734 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.967 4.209 -5.912 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.680 5.366 -4.763 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.307 5.857 -5.783 1.00 0.07 H new ATOM 472 N ASP A 367 2.444 8.198 -6.517 1.00 0.07 N ATOM 473 CA ASP A 367 1.344 8.896 -5.981 1.00 0.09 C ATOM 474 C ASP A 367 0.228 7.916 -5.702 1.00 0.09 C ATOM 475 O ASP A 367 -0.040 7.036 -6.506 1.00 0.11 O ATOM 476 CB ASP A 367 0.992 9.961 -6.999 1.00 0.13 C ATOM 477 CG ASP A 367 0.806 9.458 -8.430 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.490 8.497 -8.842 1.00 1.65 O ATOM 479 OD2 ASP A 367 0.026 10.080 -9.178 1.00 1.80 O1- ATOM 0 H ASP A 367 2.335 7.948 -7.500 1.00 0.07 H new ATOM 0 HA ASP A 367 1.553 9.381 -5.027 1.00 0.09 H new ATOM 0 HB2 ASP A 367 0.073 10.454 -6.682 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.777 10.717 -6.996 1.00 0.13 H new ATOM 484 N ILE A 368 -0.350 8.005 -4.511 1.00 0.09 N ATOM 485 CA ILE A 368 -1.298 7.006 -4.058 1.00 0.08 C ATOM 486 C ILE A 368 -2.537 7.605 -3.496 1.00 0.07 C ATOM 487 O ILE A 368 -2.765 8.806 -3.543 1.00 0.08 O ATOM 488 CB ILE A 368 -0.699 6.105 -2.988 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.036 6.932 -1.955 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.226 5.128 -3.647 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.842 7.523 -0.863 1.00 0.08 C ATOM 0 H ILE A 368 -0.177 8.758 -3.846 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.546 6.427 -4.948 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.492 5.562 -2.473 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.800 6.309 -1.489 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.554 7.745 -2.464 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.663 4.475 -2.892 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.331 4.528 -4.367 1.00 0.12 H new ATOM 0 HG23 ILE A 368 1.020 5.669 -4.162 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.226 8.098 -0.172 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.590 8.177 -1.312 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.341 6.719 -0.322 1.00 0.08 H new ATOM 503 N VAL A 369 -3.321 6.726 -2.944 1.00 0.07 N ATOM 504 CA VAL A 369 -4.498 7.094 -2.220 1.00 0.08 C ATOM 505 C VAL A 369 -4.779 6.043 -1.179 1.00 0.09 C ATOM 506 O VAL A 369 -4.915 4.854 -1.457 1.00 0.10 O ATOM 507 CB VAL A 369 -5.724 7.369 -3.138 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.403 7.066 -4.605 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.965 6.604 -2.675 1.00 0.09 C ATOM 0 H VAL A 369 -3.157 5.720 -2.986 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.313 8.047 -1.724 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.950 8.432 -3.059 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.281 7.269 -5.219 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.577 7.696 -4.934 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.123 6.018 -4.707 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.798 6.824 -3.343 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.760 5.534 -2.691 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.223 6.909 -1.661 1.00 0.09 H new ATOM 519 N SER A 370 -4.747 6.528 0.023 1.00 0.09 N ATOM 520 CA SER A 370 -4.958 5.754 1.221 1.00 0.08 C ATOM 521 C SER A 370 -6.434 5.407 1.416 1.00 0.08 C ATOM 522 O SER A 370 -7.230 5.572 0.488 1.00 0.10 O ATOM 523 CB SER A 370 -4.370 6.503 2.401 1.00 0.13 C ATOM 524 OG SER A 370 -4.888 7.815 2.480 1.00 1.26 O ATOM 0 H SER A 370 -4.566 7.514 0.211 1.00 0.09 H new ATOM 0 HA SER A 370 -4.444 4.797 1.132 1.00 0.08 H new ATOM 0 HB2 SER A 370 -4.591 5.966 3.323 1.00 0.13 H new ATOM 0 HB3 SER A 370 -3.285 6.542 2.307 1.00 0.13 H new ATOM 0 HG SER A 370 -5.043 8.050 3.419 1.00 1.26 H new ATOM 530 N GLY A 371 -6.810 4.897 2.574 1.00 0.09 N ATOM 531 CA GLY A 371 -8.187 4.492 2.746 1.00 0.12 C ATOM 532 C GLY A 371 -9.070 5.655 3.154 1.00 0.12 C ATOM 533 O GLY A 371 -8.591 6.770 3.363 1.00 0.14 O ATOM 0 H GLY A 371 -6.204 4.758 3.382 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.558 4.063 1.815 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.244 3.710 3.503 1.00 0.12 H new ATOM 537 N LYS A 372 -10.362 5.398 3.239 1.00 0.16 N ATOM 538 CA LYS A 372 -11.360 6.460 3.292 1.00 0.16 C ATOM 539 C LYS A 372 -11.484 7.088 4.680 1.00 0.18 C ATOM 540 O LYS A 372 -11.029 6.498 5.650 1.00 0.21 O ATOM 541 CB LYS A 372 -12.699 5.900 2.828 1.00 0.19 C ATOM 542 CG LYS A 372 -13.362 5.023 3.854 1.00 0.27 C ATOM 543 CD LYS A 372 -14.347 4.111 3.195 1.00 0.47 C ATOM 544 CE LYS A 372 -15.602 4.846 2.796 1.00 0.81 C ATOM 545 NZ LYS A 372 -16.521 3.993 2.000 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.751 4.456 3.273 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.037 7.262 2.628 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.365 6.727 2.581 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.549 5.327 1.913 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.610 4.437 4.383 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -13.867 5.639 4.598 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.893 3.660 2.313 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.601 3.297 3.874 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -16.117 5.195 3.691 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -15.335 5.730 2.216 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -17.370 4.538 1.748 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -16.040 3.680 1.133 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -16.798 3.162 2.562 1.00 0.79 H new ATOM 559 N PRO A 373 -12.090 8.271 4.816 1.00 0.19 N ATOM 560 CA PRO A 373 -12.181 8.974 6.102 1.00 0.21 C ATOM 561 C PRO A 373 -12.821 8.128 7.178 1.00 0.24 C ATOM 562 O PRO A 373 -12.436 8.162 8.346 1.00 0.28 O ATOM 563 CB PRO A 373 -13.118 10.114 5.773 1.00 0.23 C ATOM 564 CG PRO A 373 -12.841 10.395 4.360 1.00 0.21 C ATOM 565 CD PRO A 373 -12.735 9.038 3.748 1.00 0.19 C ATOM 0 HA PRO A 373 -11.200 9.258 6.483 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -14.160 9.834 5.929 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.925 10.985 6.400 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.639 10.980 3.903 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.919 10.964 4.237 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.712 8.631 3.486 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -12.139 9.048 2.835 1.00 0.19 H new ATOM 573 N THR A 374 -13.806 7.373 6.760 1.00 0.25 N ATOM 574 CA THR A 374 -14.604 6.587 7.682 1.00 0.28 C ATOM 575 C THR A 374 -13.751 5.496 8.317 1.00 0.30 C ATOM 576 O THR A 374 -13.934 5.108 9.475 1.00 0.33 O ATOM 577 CB THR A 374 -15.807 5.948 6.964 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.381 4.862 6.138 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.490 6.974 6.096 1.00 0.29 C ATOM 0 H THR A 374 -14.080 7.282 5.782 1.00 0.25 H new ATOM 0 HA THR A 374 -14.977 7.255 8.459 1.00 0.28 H new ATOM 0 HB THR A 374 -16.497 5.578 7.722 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.164 4.368 5.818 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.340 6.515 5.591 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.839 7.801 6.715 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.786 7.349 5.353 1.00 0.29 H new ATOM 587 N THR A 375 -12.801 5.031 7.529 1.00 0.28 N ATOM 588 CA THR A 375 -11.888 3.974 7.919 1.00 0.31 C ATOM 589 C THR A 375 -10.499 4.278 7.386 1.00 0.29 C ATOM 590 O THR A 375 -9.986 3.684 6.436 1.00 0.29 O ATOM 591 CB THR A 375 -12.399 2.612 7.477 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.369 1.617 7.575 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.953 2.692 6.063 1.00 0.31 C ATOM 0 H THR A 375 -12.639 5.382 6.585 1.00 0.28 H new ATOM 0 HA THR A 375 -11.827 3.934 9.007 1.00 0.31 H new ATOM 0 HB THR A 375 -13.206 2.313 8.146 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.560 1.022 8.330 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.316 1.710 5.758 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.775 3.407 6.034 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.166 3.016 5.382 1.00 0.31 H new ATOM 601 N PRO A 376 -9.923 5.262 8.036 1.00 0.28 N ATOM 602 CA PRO A 376 -8.672 5.907 7.688 1.00 0.26 C ATOM 603 C PRO A 376 -7.478 5.004 7.657 1.00 0.26 C ATOM 604 O PRO A 376 -7.484 3.889 8.188 1.00 0.38 O ATOM 605 CB PRO A 376 -8.520 6.931 8.803 1.00 0.29 C ATOM 606 CG PRO A 376 -9.891 7.205 9.192 1.00 0.32 C ATOM 607 CD PRO A 376 -10.510 5.866 9.206 1.00 0.32 C ATOM 0 HA PRO A 376 -8.709 6.306 6.674 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -7.937 6.536 9.635 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.012 7.831 8.456 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -9.944 7.684 10.170 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.385 7.870 8.484 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.272 5.314 10.115 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.597 5.916 9.139 1.00 0.32 H new ATOM 615 N THR A 377 -6.447 5.512 7.036 1.00 0.17 N ATOM 616 CA THR A 377 -5.194 4.889 7.051 1.00 0.21 C ATOM 617 C THR A 377 -4.403 5.422 8.257 1.00 0.17 C ATOM 618 O THR A 377 -4.293 6.632 8.446 1.00 0.21 O ATOM 619 CB THR A 377 -4.499 5.181 5.717 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.988 4.311 4.691 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.019 5.049 5.840 1.00 0.22 C ATOM 0 H THR A 377 -6.477 6.382 6.505 1.00 0.17 H new ATOM 0 HA THR A 377 -5.274 3.807 7.158 1.00 0.21 H new ATOM 0 HB THR A 377 -4.728 6.211 5.443 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.553 3.618 5.092 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.553 5.262 4.878 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.651 5.755 6.585 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.769 4.034 6.147 1.00 0.22 H new ATOM 629 N PRO A 378 -3.863 4.519 9.099 1.00 0.14 N ATOM 630 CA PRO A 378 -3.257 4.863 10.399 1.00 0.15 C ATOM 631 C PRO A 378 -1.957 5.624 10.236 1.00 0.13 C ATOM 632 O PRO A 378 -1.728 6.633 10.897 1.00 0.16 O ATOM 633 CB PRO A 378 -2.966 3.478 11.002 1.00 0.17 C ATOM 634 CG PRO A 378 -3.841 2.554 10.244 1.00 0.19 C ATOM 635 CD PRO A 378 -3.753 3.081 8.863 1.00 0.17 C ATOM 0 HA PRO A 378 -3.901 5.502 11.003 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.915 3.210 10.892 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.191 3.454 12.068 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.492 1.523 10.307 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.865 2.568 10.618 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.813 2.814 8.380 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.555 2.706 8.228 1.00 0.17 H new ATOM 643 N ALA A 379 -1.129 5.129 9.341 1.00 0.11 N ATOM 644 CA ALA A 379 0.202 5.659 9.108 1.00 0.10 C ATOM 645 C ALA A 379 1.132 5.542 10.307 1.00 0.10 C ATOM 646 O ALA A 379 0.751 5.665 11.476 1.00 0.13 O ATOM 647 CB ALA A 379 0.167 7.073 8.570 1.00 0.11 C ATOM 0 H ALA A 379 -1.363 4.335 8.745 1.00 0.11 H new ATOM 0 HA ALA A 379 0.630 5.019 8.337 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.186 7.427 8.411 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.374 7.089 7.624 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.336 7.723 9.287 1.00 0.11 H new ATOM 653 N GLY A 380 2.365 5.288 9.946 1.00 0.10 N ATOM 654 CA GLY A 380 3.443 5.070 10.862 1.00 0.11 C ATOM 655 C GLY A 380 4.385 4.057 10.272 1.00 0.12 C ATOM 656 O GLY A 380 5.042 4.321 9.270 1.00 0.20 O ATOM 0 H GLY A 380 2.650 5.226 8.969 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.968 6.005 11.056 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.059 4.716 11.819 1.00 0.11 H new ATOM 660 N VAL A 381 4.411 2.883 10.862 1.00 0.12 N ATOM 661 CA VAL A 381 5.184 1.784 10.330 1.00 0.13 C ATOM 662 C VAL A 381 4.316 0.521 10.265 1.00 0.15 C ATOM 663 O VAL A 381 3.642 0.166 11.232 1.00 0.25 O ATOM 664 CB VAL A 381 6.439 1.550 11.198 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.117 0.772 12.463 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.545 0.870 10.399 1.00 0.82 C ATOM 0 H VAL A 381 3.901 2.664 11.718 1.00 0.12 H new ATOM 0 HA VAL A 381 5.512 2.028 9.319 1.00 0.13 H new ATOM 0 HB VAL A 381 6.803 2.530 11.507 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.028 0.630 13.044 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.391 1.327 13.057 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.701 -0.200 12.197 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.415 0.719 11.038 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.191 -0.094 10.035 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.821 1.498 9.552 1.00 0.82 H new ATOM 676 N PHE A 382 4.270 -0.100 9.105 1.00 0.09 N ATOM 677 CA PHE A 382 3.669 -1.408 8.956 1.00 0.09 C ATOM 678 C PHE A 382 4.750 -2.345 8.404 1.00 0.09 C ATOM 679 O PHE A 382 5.910 -1.941 8.311 1.00 0.10 O ATOM 680 CB PHE A 382 2.407 -1.384 8.073 1.00 0.10 C ATOM 681 CG PHE A 382 1.470 -0.230 8.340 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.036 0.055 9.626 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.044 0.588 7.300 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.197 1.125 9.870 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.212 1.657 7.544 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.213 1.927 8.827 1.00 0.18 C ATOM 0 H PHE A 382 4.648 0.287 8.240 1.00 0.09 H new ATOM 0 HA PHE A 382 3.318 -1.767 9.923 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.713 -1.351 7.027 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.862 -2.317 8.217 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.358 -0.568 10.447 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.369 0.383 6.291 1.00 0.12 H new ATOM 0 HE1 PHE A 382 -0.137 1.333 10.876 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.109 2.286 6.727 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.867 2.766 9.015 1.00 0.18 H new ATOM 696 N TYR A 383 4.437 -3.582 8.070 1.00 0.11 N ATOM 697 CA TYR A 383 5.501 -4.508 7.680 1.00 0.11 C ATOM 698 C TYR A 383 5.125 -5.390 6.491 1.00 0.11 C ATOM 699 O TYR A 383 4.168 -6.147 6.555 1.00 0.13 O ATOM 700 CB TYR A 383 5.794 -5.388 8.887 1.00 0.13 C ATOM 701 CG TYR A 383 7.240 -5.773 9.009 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.212 -4.806 9.220 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.631 -7.099 8.930 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.539 -5.147 9.352 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.955 -7.456 9.057 1.00 0.49 C ATOM 706 CZ TYR A 383 9.908 -6.475 9.272 1.00 0.50 C ATOM 707 OH TYR A 383 11.231 -6.823 9.405 1.00 0.65 O ATOM 0 H TYR A 383 3.492 -3.967 8.058 1.00 0.11 H new ATOM 0 HA TYR A 383 6.369 -3.927 7.368 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.488 -4.864 9.792 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.189 -6.293 8.823 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.922 -3.767 9.282 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.887 -7.864 8.766 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.284 -4.383 9.517 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.248 -8.493 8.989 1.00 0.49 H new ATOM 0 HH TYR A 383 11.692 -6.689 8.551 1.00 0.65 H new ATOM 717 N VAL A 384 5.909 -5.310 5.408 1.00 0.09 N ATOM 718 CA VAL A 384 5.747 -6.241 4.297 1.00 0.09 C ATOM 719 C VAL A 384 6.577 -7.466 4.549 1.00 0.13 C ATOM 720 O VAL A 384 7.763 -7.552 4.217 1.00 0.16 O ATOM 721 CB VAL A 384 6.077 -5.664 2.901 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.368 -4.894 2.917 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.137 -6.776 1.842 1.00 0.08 C ATOM 0 H VAL A 384 6.649 -4.620 5.283 1.00 0.09 H new ATOM 0 HA VAL A 384 4.684 -6.478 4.265 1.00 0.09 H new ATOM 0 HB VAL A 384 5.273 -4.977 2.637 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.570 -4.502 1.920 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.290 -4.067 3.623 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.181 -5.554 3.219 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.371 -6.341 0.870 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.910 -7.495 2.113 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.173 -7.282 1.790 1.00 0.08 H new ATOM 733 N TRP A 385 5.931 -8.415 5.146 1.00 0.18 N ATOM 734 CA TRP A 385 6.555 -9.672 5.431 1.00 0.23 C ATOM 735 C TRP A 385 6.279 -10.614 4.275 1.00 0.12 C ATOM 736 O TRP A 385 6.555 -11.812 4.335 1.00 0.21 O ATOM 737 CB TRP A 385 6.104 -10.226 6.789 1.00 0.48 C ATOM 738 CG TRP A 385 4.612 -10.338 6.952 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.736 -9.333 7.284 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.819 -11.523 6.813 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.462 -9.826 7.355 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.484 -11.162 7.068 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.105 -12.853 6.492 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.442 -12.075 7.017 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.066 -13.764 6.441 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.747 -13.370 6.702 1.00 2.55 C ATOM 0 H TRP A 385 4.960 -8.344 5.450 1.00 0.18 H new ATOM 0 HA TRP A 385 7.634 -9.548 5.521 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.547 -11.212 6.931 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.496 -9.584 7.578 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.013 -8.304 7.463 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.629 -9.284 7.585 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.119 -13.163 6.288 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.425 -11.774 7.219 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.274 -14.795 6.196 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.956 -14.104 6.653 1.00 2.55 H new ATOM 757 N ASN A 386 5.739 -10.021 3.204 1.00 0.10 N ATOM 758 CA ASN A 386 5.542 -10.708 1.935 1.00 0.14 C ATOM 759 C ASN A 386 5.152 -9.713 0.847 1.00 0.11 C ATOM 760 O ASN A 386 4.233 -8.927 1.003 1.00 0.12 O ATOM 761 CB ASN A 386 4.453 -11.770 2.081 1.00 0.27 C ATOM 762 CG ASN A 386 4.244 -12.572 0.809 1.00 0.33 C ATOM 763 OD1 ASN A 386 3.325 -12.130 -0.032 1.00 0.43 O flip ATOM 764 ND2 ASN A 386 4.900 -13.588 0.591 1.00 0.31 N flip ATOM 0 H ASN A 386 5.428 -9.050 3.199 1.00 0.10 H new ATOM 0 HA ASN A 386 6.477 -11.190 1.650 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.718 -12.447 2.893 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.516 -11.288 2.360 1.00 0.27 H new ATOM 0 HD21 ASN A 386 5.601 -13.897 1.265 1.00 0.31 H new ATOM 0 HD22 ASN A 386 4.744 -14.122 -0.264 1.00 0.31 H new ATOM 771 N LYS A 387 5.894 -9.756 -0.241 1.00 0.11 N ATOM 772 CA LYS A 387 5.563 -9.044 -1.479 1.00 0.09 C ATOM 773 C LYS A 387 4.940 -10.021 -2.460 1.00 0.08 C ATOM 774 O LYS A 387 5.349 -11.179 -2.530 1.00 0.13 O ATOM 775 CB LYS A 387 6.822 -8.412 -2.093 1.00 0.13 C ATOM 776 CG LYS A 387 8.124 -8.796 -1.409 1.00 0.38 C ATOM 777 CD LYS A 387 8.465 -10.237 -1.679 1.00 0.20 C ATOM 778 CE LYS A 387 9.069 -10.416 -3.052 1.00 0.40 C ATOM 779 NZ LYS A 387 9.589 -11.791 -3.277 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.759 -10.292 -0.300 1.00 0.11 H new ATOM 0 HA LYS A 387 4.856 -8.245 -1.255 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.881 -8.699 -3.143 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.718 -7.327 -2.064 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.930 -8.154 -1.765 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.037 -8.633 -0.335 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.165 -10.594 -0.923 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.566 -10.847 -1.594 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.317 -10.189 -3.807 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.880 -9.700 -3.184 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.992 -11.858 -4.234 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.327 -12.002 -2.575 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.813 -12.476 -3.180 1.00 1.12 H new ATOM 793 N GLU A 388 3.959 -9.541 -3.215 1.00 0.09 N ATOM 794 CA GLU A 388 3.100 -10.409 -4.015 1.00 0.10 C ATOM 795 C GLU A 388 3.041 -10.054 -5.482 1.00 0.10 C ATOM 796 O GLU A 388 3.288 -8.924 -5.884 1.00 0.10 O ATOM 797 CB GLU A 388 1.698 -10.314 -3.467 1.00 0.09 C ATOM 798 CG GLU A 388 1.399 -11.322 -2.438 1.00 0.15 C ATOM 799 CD GLU A 388 1.408 -12.739 -2.967 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.382 -13.170 -3.536 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.436 -13.433 -2.818 1.00 0.71 O1- ATOM 0 H GLU A 388 3.737 -8.548 -3.291 1.00 0.09 H new ATOM 0 HA GLU A 388 3.526 -11.410 -3.948 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.548 -9.320 -3.045 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.988 -10.422 -4.287 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.130 -11.237 -1.634 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.422 -11.110 -2.005 1.00 0.15 H new ATOM 808 N GLU A 389 2.671 -11.065 -6.247 1.00 0.10 N ATOM 809 CA GLU A 389 2.411 -10.971 -7.662 1.00 0.11 C ATOM 810 C GLU A 389 1.169 -11.768 -7.979 1.00 0.16 C ATOM 811 O GLU A 389 1.083 -12.948 -7.627 1.00 0.28 O ATOM 812 CB GLU A 389 3.559 -11.520 -8.476 1.00 0.14 C ATOM 813 CG GLU A 389 4.748 -10.607 -8.531 1.00 0.16 C ATOM 814 CD GLU A 389 5.856 -11.158 -9.403 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.366 -12.256 -9.102 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.236 -10.490 -10.388 1.00 0.38 O ATOM 0 H GLU A 389 2.540 -12.008 -5.880 1.00 0.10 H new ATOM 0 HA GLU A 389 2.282 -9.919 -7.918 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.866 -12.478 -8.056 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.213 -11.714 -9.491 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.439 -9.634 -8.912 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.128 -10.448 -7.522 1.00 0.16 H new ATOM 823 N ASP A 390 0.231 -11.124 -8.644 1.00 0.12 N ATOM 824 CA ASP A 390 -1.061 -11.721 -8.949 1.00 0.15 C ATOM 825 C ASP A 390 -1.706 -12.202 -7.651 1.00 0.16 C ATOM 826 O ASP A 390 -2.130 -13.347 -7.489 1.00 0.25 O ATOM 827 CB ASP A 390 -0.873 -12.827 -9.975 1.00 0.19 C ATOM 828 CG ASP A 390 -2.154 -13.577 -10.303 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.184 -12.922 -10.573 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.134 -14.827 -10.313 1.00 0.36 O1- ATOM 0 H ASP A 390 0.340 -10.171 -8.990 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.740 -10.992 -9.392 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.469 -12.396 -10.891 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.133 -13.535 -9.602 1.00 0.19 H new ATOM 835 N ALA A 391 -1.714 -11.269 -6.714 1.00 0.12 N ATOM 836 CA ALA A 391 -2.286 -11.438 -5.397 1.00 0.11 C ATOM 837 C ALA A 391 -3.764 -11.159 -5.451 1.00 0.10 C ATOM 838 O ALA A 391 -4.258 -10.638 -6.435 1.00 0.11 O ATOM 839 CB ALA A 391 -1.647 -10.446 -4.465 1.00 0.10 C ATOM 0 H ALA A 391 -1.308 -10.344 -6.858 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.115 -12.457 -5.051 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.069 -10.561 -3.466 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.572 -10.622 -4.428 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.837 -9.435 -4.824 1.00 0.10 H new ATOM 845 N THR A 392 -4.480 -11.505 -4.419 1.00 0.11 N ATOM 846 CA THR A 392 -5.856 -11.077 -4.325 1.00 0.11 C ATOM 847 C THR A 392 -6.165 -10.506 -2.965 1.00 0.11 C ATOM 848 O THR A 392 -6.066 -11.175 -1.937 1.00 0.14 O ATOM 849 CB THR A 392 -6.861 -12.187 -4.666 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.491 -12.836 -5.890 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.257 -11.600 -4.806 1.00 0.15 C ATOM 0 H THR A 392 -4.146 -12.073 -3.640 1.00 0.11 H new ATOM 0 HA THR A 392 -5.970 -10.295 -5.076 1.00 0.11 H new ATOM 0 HB THR A 392 -6.855 -12.919 -3.859 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.139 -13.542 -6.095 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.963 -12.394 -5.048 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.549 -11.128 -3.868 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.261 -10.856 -5.603 1.00 0.15 H new ATOM 859 N LEU A 393 -6.542 -9.257 -2.992 1.00 0.10 N ATOM 860 CA LEU A 393 -6.881 -8.515 -1.797 1.00 0.12 C ATOM 861 C LEU A 393 -8.261 -8.831 -1.310 1.00 0.15 C ATOM 862 O LEU A 393 -9.242 -8.188 -1.668 1.00 0.16 O ATOM 863 CB LEU A 393 -6.782 -7.049 -2.101 1.00 0.11 C ATOM 864 CG LEU A 393 -5.408 -6.421 -2.009 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.374 -7.356 -2.559 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.396 -5.151 -2.808 1.00 0.51 C ATOM 0 H LEU A 393 -6.625 -8.715 -3.852 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.184 -8.799 -1.008 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.163 -6.885 -3.109 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.445 -6.516 -1.419 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.180 -6.212 -0.964 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.390 -6.893 -2.487 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.381 -8.284 -1.987 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.598 -7.572 -3.604 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.409 -4.692 -2.747 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.629 -5.374 -3.849 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.141 -4.463 -2.409 1.00 0.51 H new ATOM 878 N LYS A 394 -8.308 -9.828 -0.507 1.00 0.18 N ATOM 879 CA LYS A 394 -9.521 -10.257 0.124 1.00 0.23 C ATOM 880 C LYS A 394 -9.623 -9.820 1.550 1.00 0.29 C ATOM 881 O LYS A 394 -8.747 -9.135 2.082 1.00 0.29 O ATOM 882 CB LYS A 394 -9.516 -11.720 0.042 1.00 0.25 C ATOM 883 CG LYS A 394 -9.541 -12.130 -1.353 1.00 0.23 C ATOM 884 CD LYS A 394 -10.037 -13.478 -1.442 1.00 0.27 C ATOM 885 CE LYS A 394 -9.444 -14.033 -2.660 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.777 -15.461 -2.898 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.492 -10.387 -0.258 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.379 -9.810 -0.378 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.628 -12.119 0.533 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.380 -12.127 0.567 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.175 -11.458 -1.931 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.540 -12.069 -1.780 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.751 -14.060 -0.566 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.126 -13.493 -1.493 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.778 -13.445 -3.515 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.361 -13.928 -2.605 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.322 -15.782 -3.777 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.434 -16.035 -2.101 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.808 -15.568 -2.983 1.00 0.33 H new ATOM 900 N GLY A 395 -10.731 -10.181 2.145 1.00 0.34 N ATOM 901 CA GLY A 395 -10.957 -9.796 3.505 1.00 0.41 C ATOM 902 C GLY A 395 -12.363 -9.334 3.725 1.00 0.46 C ATOM 903 O GLY A 395 -13.259 -9.662 2.947 1.00 0.43 O ATOM 0 H GLY A 395 -11.475 -10.731 1.715 1.00 0.34 H new ATOM 0 HA2 GLY A 395 -10.745 -10.640 4.162 1.00 0.41 H new ATOM 0 HA3 GLY A 395 -10.266 -8.998 3.777 1.00 0.41 H new ATOM 907 N THR A 396 -12.563 -8.549 4.765 1.00 0.53 N ATOM 908 CA THR A 396 -13.825 -7.897 4.948 1.00 0.58 C ATOM 909 C THR A 396 -13.659 -6.397 4.918 1.00 0.61 C ATOM 910 O THR A 396 -12.682 -5.865 5.439 1.00 0.66 O ATOM 911 CB THR A 396 -14.517 -8.277 6.265 1.00 0.67 C ATOM 912 OG1 THR A 396 -14.271 -9.653 6.584 1.00 0.69 O ATOM 913 CG2 THR A 396 -15.997 -8.048 6.128 1.00 0.71 C ATOM 0 H THR A 396 -11.868 -8.354 5.486 1.00 0.53 H new ATOM 0 HA THR A 396 -14.453 -8.235 4.123 1.00 0.58 H new ATOM 0 HB THR A 396 -14.117 -7.658 7.068 1.00 0.67 H new ATOM 0 HG1 THR A 396 -14.717 -9.878 7.427 1.00 0.69 H new ATOM 0 HG21 THR A 396 -16.494 -8.316 7.060 1.00 0.71 H new ATOM 0 HG22 THR A 396 -16.184 -6.997 5.906 1.00 0.71 H new ATOM 0 HG23 THR A 396 -16.387 -8.665 5.318 1.00 0.71 H new ATOM 921 N ASN A 397 -14.599 -5.734 4.259 1.00 0.62 N ATOM 922 CA ASN A 397 -14.734 -4.304 4.357 1.00 0.71 C ATOM 923 C ASN A 397 -14.892 -3.938 5.816 1.00 0.84 C ATOM 924 O ASN A 397 -15.412 -4.731 6.606 1.00 0.84 O ATOM 925 CB ASN A 397 -15.972 -3.865 3.591 1.00 0.72 C ATOM 926 CG ASN A 397 -15.634 -3.456 2.177 1.00 0.69 C ATOM 927 OD1 ASN A 397 -15.625 -4.422 1.277 1.00 0.77 O flip ATOM 928 ND2 ASN A 397 -15.371 -2.288 1.894 1.00 0.59 N flip ATOM 0 H ASN A 397 -15.283 -6.178 3.646 1.00 0.62 H new ATOM 0 HA ASN A 397 -13.856 -3.812 3.939 1.00 0.71 H new ATOM 0 HB2 ASN A 397 -16.697 -4.679 3.572 1.00 0.72 H new ATOM 0 HB3 ASN A 397 -16.444 -3.030 4.109 1.00 0.72 H new ATOM 0 HD21 ASN A 397 -15.389 -1.571 2.619 1.00 0.59 H new ATOM 0 HD22 ASN A 397 -15.135 -2.037 0.934 1.00 0.59 H new ATOM 935 N ASP A 398 -14.466 -2.734 6.159 1.00 0.97 N ATOM 936 CA ASP A 398 -14.584 -2.212 7.520 1.00 1.13 C ATOM 937 C ASP A 398 -16.032 -2.128 7.947 1.00 1.15 C ATOM 938 O ASP A 398 -16.342 -1.747 9.075 1.00 1.25 O ATOM 939 CB ASP A 398 -14.001 -0.835 7.585 1.00 1.29 C ATOM 940 CG ASP A 398 -13.208 -0.589 8.855 1.00 1.90 C ATOM 941 OD1 ASP A 398 -13.828 -0.359 9.913 1.00 2.27 O1- ATOM 942 OD2 ASP A 398 -11.957 -0.653 8.812 1.00 2.28 O ATOM 0 H ASP A 398 -14.027 -2.086 5.505 1.00 0.97 H new ATOM 0 HA ASP A 398 -14.049 -2.891 8.184 1.00 1.13 H new ATOM 0 HB2 ASP A 398 -13.353 -0.679 6.722 1.00 1.29 H new ATOM 0 HB3 ASP A 398 -14.805 -0.102 7.517 1.00 1.29 H new ATOM 947 N ASP A 399 -16.910 -2.470 7.025 1.00 1.06 N ATOM 948 CA ASP A 399 -18.336 -2.397 7.267 1.00 1.09 C ATOM 949 C ASP A 399 -18.936 -3.781 7.304 1.00 1.01 C ATOM 950 O ASP A 399 -20.143 -3.957 7.458 1.00 1.05 O ATOM 951 CB ASP A 399 -19.031 -1.577 6.194 1.00 1.09 C ATOM 952 CG ASP A 399 -20.336 -0.970 6.665 1.00 1.65 C ATOM 953 OD1 ASP A 399 -20.297 -0.047 7.507 1.00 2.15 O ATOM 954 OD2 ASP A 399 -21.405 -1.397 6.182 1.00 2.27 O1- ATOM 0 H ASP A 399 -16.658 -2.804 6.095 1.00 1.06 H new ATOM 0 HA ASP A 399 -18.483 -1.911 8.232 1.00 1.09 H new ATOM 0 HB2 ASP A 399 -18.364 -0.780 5.865 1.00 1.09 H new ATOM 0 HB3 ASP A 399 -19.223 -2.210 5.328 1.00 1.09 H new ATOM 959 N GLY A 400 -18.071 -4.776 7.169 1.00 0.94 N ATOM 960 CA GLY A 400 -18.483 -6.126 7.395 1.00 0.92 C ATOM 961 C GLY A 400 -18.873 -6.842 6.144 1.00 0.84 C ATOM 962 O GLY A 400 -19.516 -7.888 6.184 1.00 0.90 O ATOM 0 H GLY A 400 -17.092 -4.662 6.906 1.00 0.94 H new ATOM 0 HA2 GLY A 400 -17.672 -6.670 7.879 1.00 0.92 H new ATOM 0 HA3 GLY A 400 -19.326 -6.130 8.086 1.00 0.92 H new ATOM 966 N THR A 401 -18.439 -6.299 5.041 1.00 0.76 N ATOM 967 CA THR A 401 -18.799 -6.823 3.749 1.00 0.68 C ATOM 968 C THR A 401 -17.560 -7.395 3.055 1.00 0.60 C ATOM 969 O THR A 401 -16.711 -6.659 2.548 1.00 0.57 O ATOM 970 CB THR A 401 -19.487 -5.727 2.902 1.00 0.70 C ATOM 971 OG1 THR A 401 -18.533 -4.846 2.296 1.00 0.69 O ATOM 972 CG2 THR A 401 -20.401 -4.913 3.797 1.00 0.81 C ATOM 0 H THR A 401 -17.828 -5.483 5.010 1.00 0.76 H new ATOM 0 HA THR A 401 -19.514 -7.637 3.870 1.00 0.68 H new ATOM 0 HB THR A 401 -20.050 -6.218 2.109 1.00 0.70 H new ATOM 0 HG1 THR A 401 -17.783 -5.369 1.944 1.00 0.69 H new ATOM 0 HG21 THR A 401 -20.891 -4.137 3.208 1.00 0.81 H new ATOM 0 HG22 THR A 401 -21.155 -5.566 4.236 1.00 0.81 H new ATOM 0 HG23 THR A 401 -19.815 -4.450 4.591 1.00 0.81 H new ATOM 980 N PRO A 402 -17.402 -8.722 3.092 1.00 0.57 N ATOM 981 CA PRO A 402 -16.244 -9.398 2.515 1.00 0.50 C ATOM 982 C PRO A 402 -16.076 -9.129 1.045 1.00 0.44 C ATOM 983 O PRO A 402 -17.040 -8.900 0.311 1.00 0.46 O ATOM 984 CB PRO A 402 -16.526 -10.860 2.756 1.00 0.53 C ATOM 985 CG PRO A 402 -17.975 -10.950 3.021 1.00 0.60 C ATOM 986 CD PRO A 402 -18.326 -9.682 3.706 1.00 0.63 C ATOM 0 HA PRO A 402 -15.316 -9.048 2.967 1.00 0.50 H new ATOM 0 HB2 PRO A 402 -16.249 -11.460 1.889 1.00 0.53 H new ATOM 0 HB3 PRO A 402 -15.949 -11.236 3.601 1.00 0.53 H new ATOM 0 HG2 PRO A 402 -18.538 -11.066 2.095 1.00 0.60 H new ATOM 0 HG3 PRO A 402 -18.208 -11.812 3.646 1.00 0.60 H new ATOM 0 HD2 PRO A 402 -19.367 -9.406 3.540 1.00 0.63 H new ATOM 0 HD3 PRO A 402 -18.183 -9.750 4.784 1.00 0.63 H new ATOM 994 N TYR A 403 -14.834 -9.153 0.629 1.00 0.37 N ATOM 995 CA TYR A 403 -14.486 -8.672 -0.697 1.00 0.33 C ATOM 996 C TYR A 403 -13.254 -9.331 -1.259 1.00 0.27 C ATOM 997 O TYR A 403 -12.548 -10.069 -0.570 1.00 0.27 O ATOM 998 CB TYR A 403 -14.228 -7.171 -0.672 1.00 0.35 C ATOM 999 CG TYR A 403 -13.010 -6.798 0.149 1.00 0.35 C ATOM 1000 CD1 TYR A 403 -13.049 -6.810 1.539 1.00 0.40 C ATOM 1001 CD2 TYR A 403 -11.813 -6.448 -0.470 1.00 0.32 C ATOM 1002 CE1 TYR A 403 -11.928 -6.479 2.279 1.00 0.42 C ATOM 1003 CE2 TYR A 403 -10.694 -6.120 0.268 1.00 0.33 C ATOM 1004 CZ TYR A 403 -10.759 -6.137 1.641 1.00 0.37 C ATOM 1005 OH TYR A 403 -9.646 -5.829 2.383 1.00 0.41 O ATOM 0 H TYR A 403 -14.048 -9.497 1.180 1.00 0.37 H new ATOM 0 HA TYR A 403 -15.338 -8.919 -1.330 1.00 0.33 H new ATOM 0 HB2 TYR A 403 -14.096 -6.813 -1.693 1.00 0.35 H new ATOM 0 HB3 TYR A 403 -15.103 -6.663 -0.267 1.00 0.35 H new ATOM 0 HD1 TYR A 403 -13.964 -7.080 2.046 1.00 0.40 H new ATOM 0 HD2 TYR A 403 -11.759 -6.433 -1.549 1.00 0.32 H new ATOM 0 HE1 TYR A 403 -11.971 -6.489 3.358 1.00 0.42 H new ATOM 0 HE2 TYR A 403 -9.774 -5.852 -0.230 1.00 0.33 H new ATOM 0 HH TYR A 403 -9.306 -6.640 2.816 1.00 0.41 H new ATOM 1015 N GLU A 404 -12.981 -8.986 -2.503 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.758 -9.372 -3.169 1.00 0.21 C ATOM 1017 C GLU A 404 -11.289 -8.269 -4.096 1.00 0.20 C ATOM 1018 O GLU A 404 -12.092 -7.500 -4.623 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.956 -10.639 -3.986 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.132 -11.883 -3.143 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.486 -12.539 -3.320 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.729 -13.136 -4.387 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.312 -12.462 -2.390 1.00 0.53 O ATOM 0 H GLU A 404 -13.608 -8.426 -3.081 1.00 0.25 H new ATOM 0 HA GLU A 404 -11.010 -9.553 -2.397 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.831 -10.516 -4.625 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.098 -10.775 -4.644 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.352 -12.600 -3.399 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.996 -11.624 -2.093 1.00 0.24 H new ATOM 1030 N SER A 405 -9.983 -8.165 -4.245 1.00 0.16 N ATOM 1031 CA SER A 405 -9.401 -7.313 -5.249 1.00 0.15 C ATOM 1032 C SER A 405 -8.147 -7.966 -5.757 1.00 0.13 C ATOM 1033 O SER A 405 -7.090 -7.866 -5.140 1.00 0.11 O ATOM 1034 CB SER A 405 -9.030 -5.956 -4.676 1.00 0.15 C ATOM 1035 OG SER A 405 -9.825 -5.626 -3.545 1.00 0.19 O ATOM 0 H SER A 405 -9.303 -8.668 -3.674 1.00 0.16 H new ATOM 0 HA SER A 405 -10.131 -7.169 -6.046 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.977 -5.956 -4.393 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.154 -5.191 -5.443 1.00 0.15 H new ATOM 0 HG SER A 405 -9.558 -4.748 -3.202 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.243 -8.651 -6.880 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.115 -9.335 -7.456 1.00 0.14 C ATOM 1043 C PRO A 406 -6.108 -8.346 -7.971 1.00 0.13 C ATOM 1044 O PRO A 406 -6.316 -7.653 -8.968 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.727 -10.193 -8.561 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.175 -10.197 -8.245 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.444 -8.855 -7.662 1.00 0.18 C ATOM 0 HA PRO A 406 -6.564 -9.947 -6.742 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.534 -9.772 -9.548 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.314 -11.202 -8.559 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.774 -10.366 -9.140 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.423 -10.991 -7.540 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.573 -8.090 -8.428 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.344 -8.845 -7.047 1.00 0.18 H new ATOM 1055 N VAL A 407 -5.012 -8.321 -7.269 1.00 0.10 N ATOM 1056 CA VAL A 407 -4.017 -7.315 -7.393 1.00 0.09 C ATOM 1057 C VAL A 407 -2.794 -7.947 -8.040 1.00 0.11 C ATOM 1058 O VAL A 407 -2.639 -9.162 -8.031 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.763 -6.790 -5.962 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.492 -7.255 -5.343 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.949 -5.307 -5.829 1.00 0.08 C ATOM 0 H VAL A 407 -4.786 -9.030 -6.571 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.304 -6.474 -8.024 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.552 -7.259 -5.374 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.401 -6.836 -4.341 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.494 -8.343 -5.282 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.649 -6.927 -5.952 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.755 -5.007 -4.799 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.255 -4.792 -6.494 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.972 -5.043 -6.097 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.961 -7.142 -8.642 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.815 -7.653 -9.375 1.00 0.12 C ATOM 1073 C ASN A 408 0.342 -7.793 -8.429 1.00 0.10 C ATOM 1074 O ASN A 408 1.258 -8.569 -8.666 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.466 -6.694 -10.499 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.559 -6.624 -11.531 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.504 -7.281 -12.571 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.575 -5.843 -11.233 1.00 0.38 N ATOM 0 H ASN A 408 -2.047 -6.126 -8.644 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.047 -8.627 -9.806 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.290 -5.700 -10.088 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.462 -7.012 -10.973 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.362 -5.763 -11.876 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.575 -5.318 -10.359 1.00 0.38 H new ATOM 1085 N TYR A 409 0.267 -7.045 -7.343 1.00 0.08 N ATOM 1086 CA TYR A 409 1.376 -6.887 -6.421 1.00 0.06 C ATOM 1087 C TYR A 409 0.826 -6.440 -5.086 1.00 0.06 C ATOM 1088 O TYR A 409 0.103 -5.449 -5.003 1.00 0.06 O ATOM 1089 CB TYR A 409 2.421 -5.877 -6.929 1.00 0.06 C ATOM 1090 CG TYR A 409 3.069 -6.276 -8.235 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.498 -5.913 -9.445 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.225 -7.039 -8.259 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.056 -6.299 -10.643 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.794 -7.429 -9.456 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.204 -7.059 -10.646 1.00 0.17 C ATOM 1096 OH TYR A 409 4.769 -7.444 -11.841 1.00 0.27 O ATOM 0 H TYR A 409 -0.570 -6.527 -7.075 1.00 0.08 H new ATOM 0 HA TYR A 409 1.887 -7.845 -6.328 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.943 -4.905 -7.053 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.195 -5.757 -6.171 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.598 -5.316 -9.448 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.688 -7.333 -7.329 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.596 -6.007 -11.575 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.697 -8.021 -9.460 1.00 0.17 H new ATOM 0 HH TYR A 409 5.574 -7.974 -11.666 1.00 0.27 H new ATOM 1106 N TRP A 410 1.196 -7.152 -4.050 1.00 0.06 N ATOM 1107 CA TRP A 410 0.548 -7.028 -2.762 1.00 0.06 C ATOM 1108 C TRP A 410 1.541 -7.192 -1.647 1.00 0.06 C ATOM 1109 O TRP A 410 2.393 -8.066 -1.671 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.526 -8.098 -2.696 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.180 -8.304 -1.382 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.357 -9.488 -0.790 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.759 -7.327 -0.535 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.049 -9.327 0.390 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.305 -7.983 0.571 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.864 -5.964 -0.627 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.966 -7.283 1.596 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.501 -5.263 0.360 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.054 -5.916 1.469 1.00 0.07 C ATOM 0 H TRP A 410 1.954 -7.834 -4.073 1.00 0.06 H new ATOM 0 HA TRP A 410 0.107 -6.038 -2.647 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.298 -7.851 -3.425 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.084 -9.044 -3.008 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.009 -10.433 -1.179 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.326 -10.076 1.024 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.445 -5.445 -1.476 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.387 -7.797 2.447 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.579 -4.189 0.283 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.555 -5.340 2.233 1.00 0.07 H new ATOM 1130 N MET A 411 1.459 -6.309 -0.695 1.00 0.08 N ATOM 1131 CA MET A 411 2.239 -6.439 0.496 1.00 0.09 C ATOM 1132 C MET A 411 1.290 -6.651 1.660 1.00 0.12 C ATOM 1133 O MET A 411 0.807 -5.680 2.245 1.00 0.14 O ATOM 1134 CB MET A 411 3.086 -5.196 0.726 1.00 0.10 C ATOM 1135 CG MET A 411 3.825 -4.699 -0.505 1.00 0.09 C ATOM 1136 SD MET A 411 5.004 -5.890 -1.146 1.00 0.06 S ATOM 1137 CE MET A 411 5.888 -4.898 -2.339 1.00 0.06 C ATOM 0 H MET A 411 0.855 -5.487 -0.723 1.00 0.08 H new ATOM 0 HA MET A 411 2.918 -7.287 0.402 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.443 -4.397 1.095 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.813 -5.408 1.510 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.101 -4.458 -1.283 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.348 -3.775 -0.259 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.942 -5.177 -2.335 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.472 -5.067 -3.332 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.790 -3.844 -2.079 1.00 0.06 H new ATOM 1147 N PRO A 412 0.956 -7.918 1.968 1.00 0.13 N ATOM 1148 CA PRO A 412 0.123 -8.251 3.121 1.00 0.19 C ATOM 1149 C PRO A 412 0.861 -7.901 4.391 1.00 0.25 C ATOM 1150 O PRO A 412 1.610 -8.706 4.938 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.077 -9.767 3.005 1.00 0.24 C ATOM 1152 CG PRO A 412 1.055 -10.243 2.172 1.00 0.23 C ATOM 1153 CD PRO A 412 1.371 -9.119 1.228 1.00 0.16 C ATOM 0 HA PRO A 412 -0.824 -7.712 3.145 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.071 -10.242 3.986 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.035 -10.004 2.542 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.919 -10.489 2.790 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.786 -11.147 1.627 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.432 -9.090 0.980 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.827 -9.219 0.289 1.00 0.16 H new ATOM 1161 N ILE A 413 0.673 -6.666 4.822 1.00 0.17 N ATOM 1162 CA ILE A 413 1.424 -6.138 5.930 1.00 0.22 C ATOM 1163 C ILE A 413 0.776 -6.533 7.244 1.00 0.37 C ATOM 1164 O ILE A 413 0.013 -7.497 7.285 1.00 0.88 O ATOM 1165 CB ILE A 413 1.641 -4.609 5.797 1.00 0.18 C ATOM 1166 CG1 ILE A 413 0.337 -3.825 5.831 1.00 0.18 C ATOM 1167 CG2 ILE A 413 2.355 -4.328 4.492 1.00 0.15 C ATOM 1168 CD1 ILE A 413 0.530 -2.369 5.432 1.00 0.16 C ATOM 0 H ILE A 413 0.003 -6.014 4.415 1.00 0.17 H new ATOM 0 HA ILE A 413 2.420 -6.580 5.918 1.00 0.22 H new ATOM 0 HB ILE A 413 2.236 -4.285 6.651 1.00 0.18 H new ATOM 0 HG12 ILE A 413 -0.383 -4.292 5.159 1.00 0.18 H new ATOM 0 HG13 ILE A 413 -0.087 -3.872 6.834 1.00 0.18 H new ATOM 0 HG21 ILE A 413 2.513 -3.255 4.388 1.00 0.15 H new ATOM 0 HG22 ILE A 413 3.318 -4.839 4.487 1.00 0.15 H new ATOM 0 HG23 ILE A 413 1.749 -4.688 3.661 1.00 0.15 H new ATOM 0 HD11 ILE A 413 -0.428 -1.851 5.471 1.00 0.16 H new ATOM 0 HD12 ILE A 413 1.229 -1.893 6.120 1.00 0.16 H new ATOM 0 HD13 ILE A 413 0.928 -2.319 4.418 1.00 0.16 H new ATOM 1180 N ASP A 414 1.029 -5.806 8.306 1.00 0.65 N ATOM 1181 CA ASP A 414 0.772 -6.355 9.620 1.00 0.84 C ATOM 1182 C ASP A 414 -0.636 -6.060 10.117 1.00 0.90 C ATOM 1183 O ASP A 414 -1.463 -5.441 9.444 1.00 1.48 O ATOM 1184 CB ASP A 414 1.805 -5.843 10.628 1.00 1.53 C ATOM 1185 CG ASP A 414 1.697 -4.360 10.889 1.00 2.06 C ATOM 1186 OD1 ASP A 414 0.785 -3.958 11.627 1.00 2.33 O ATOM 1187 OD2 ASP A 414 2.511 -3.590 10.345 1.00 2.49 O1- ATOM 0 H ASP A 414 1.403 -4.857 8.292 1.00 0.65 H new ATOM 0 HA ASP A 414 0.859 -7.438 9.528 1.00 0.84 H new ATOM 0 HB2 ASP A 414 1.683 -6.381 11.568 1.00 1.53 H new ATOM 0 HB3 ASP A 414 2.806 -6.069 10.259 1.00 1.53 H new ATOM 1192 N TRP A 415 -0.846 -6.521 11.334 1.00 0.81 N ATOM 1193 CA TRP A 415 -2.149 -6.719 11.957 1.00 1.12 C ATOM 1194 C TRP A 415 -2.747 -5.417 12.462 1.00 0.88 C ATOM 1195 O TRP A 415 -3.475 -5.389 13.459 1.00 1.14 O ATOM 1196 CB TRP A 415 -1.957 -7.724 13.102 1.00 1.66 C ATOM 1197 CG TRP A 415 -0.507 -7.851 13.471 1.00 1.44 C ATOM 1198 CD1 TRP A 415 0.160 -7.208 14.473 1.00 1.66 C ATOM 1199 CD2 TRP A 415 0.469 -8.617 12.764 1.00 1.39 C ATOM 1200 NE1 TRP A 415 1.494 -7.556 14.441 1.00 1.92 N ATOM 1201 CE2 TRP A 415 1.704 -8.419 13.393 1.00 1.61 C ATOM 1202 CE3 TRP A 415 0.399 -9.455 11.656 1.00 1.49 C ATOM 1203 CZ2 TRP A 415 2.870 -9.034 12.937 1.00 1.72 C ATOM 1204 CZ3 TRP A 415 1.544 -10.058 11.201 1.00 1.40 C ATOM 1205 CH2 TRP A 415 2.765 -9.849 11.836 1.00 1.42 C ATOM 0 H TRP A 415 -0.076 -6.782 11.950 1.00 0.81 H new ATOM 0 HA TRP A 415 -2.856 -7.102 11.221 1.00 1.12 H new ATOM 0 HB2 TRP A 415 -2.530 -7.403 13.972 1.00 1.66 H new ATOM 0 HB3 TRP A 415 -2.347 -8.698 12.805 1.00 1.66 H new ATOM 0 HD1 TRP A 415 -0.289 -6.529 15.183 1.00 1.66 H new ATOM 0 HE1 TRP A 415 2.209 -7.226 15.090 1.00 1.92 H new ATOM 0 HE3 TRP A 415 -0.545 -9.629 11.160 1.00 1.49 H new ATOM 0 HZ2 TRP A 415 3.818 -8.876 13.430 1.00 1.72 H new ATOM 0 HZ3 TRP A 415 1.497 -10.705 10.337 1.00 1.40 H new ATOM 0 HH2 TRP A 415 3.649 -10.338 11.455 1.00 1.42 H new ATOM 1216 N THR A 416 -2.442 -4.347 11.768 1.00 0.62 N ATOM 1217 CA THR A 416 -3.036 -3.066 12.044 1.00 0.61 C ATOM 1218 C THR A 416 -4.174 -2.809 11.062 1.00 0.52 C ATOM 1219 O THR A 416 -5.095 -2.040 11.338 1.00 0.71 O ATOM 1220 CB THR A 416 -1.971 -1.966 11.975 1.00 0.76 C ATOM 1221 OG1 THR A 416 -1.145 -2.161 10.817 1.00 0.82 O ATOM 1222 CG2 THR A 416 -1.114 -2.003 13.229 1.00 0.95 C ATOM 0 H THR A 416 -1.775 -4.342 10.997 1.00 0.62 H new ATOM 0 HA THR A 416 -3.450 -3.061 13.052 1.00 0.61 H new ATOM 0 HB THR A 416 -2.462 -0.996 11.904 1.00 0.76 H new ATOM 0 HG1 THR A 416 -0.446 -2.818 11.020 1.00 0.82 H new ATOM 0 HG21 THR A 416 -0.358 -1.220 13.176 1.00 0.95 H new ATOM 0 HG22 THR A 416 -1.743 -1.842 14.104 1.00 0.95 H new ATOM 0 HG23 THR A 416 -0.625 -2.974 13.307 1.00 0.95 H new ATOM 1230 N GLY A 417 -4.109 -3.486 9.920 1.00 0.42 N ATOM 1231 CA GLY A 417 -5.215 -3.479 8.985 1.00 0.48 C ATOM 1232 C GLY A 417 -4.797 -3.152 7.570 1.00 0.49 C ATOM 1233 O GLY A 417 -5.286 -3.756 6.620 1.00 0.68 O ATOM 0 H GLY A 417 -3.305 -4.041 9.626 1.00 0.42 H new ATOM 0 HA2 GLY A 417 -5.699 -4.456 8.997 1.00 0.48 H new ATOM 0 HA3 GLY A 417 -5.957 -2.752 9.315 1.00 0.48 H new ATOM 1237 N VAL A 418 -3.879 -2.209 7.442 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.445 -1.685 6.145 1.00 0.26 C ATOM 1239 C VAL A 418 -2.797 -2.770 5.279 1.00 0.24 C ATOM 1240 O VAL A 418 -2.598 -3.900 5.717 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.431 -0.537 6.363 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.055 0.183 5.065 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -2.988 0.444 7.362 1.00 0.75 C ATOM 0 H VAL A 418 -3.407 -1.778 8.237 1.00 0.32 H new ATOM 0 HA VAL A 418 -4.329 -1.319 5.624 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.513 -0.983 6.746 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.341 0.977 5.283 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.606 -0.528 4.371 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.950 0.613 4.615 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.273 1.253 7.515 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.925 0.854 6.985 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.169 -0.064 8.309 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.497 -2.411 4.042 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.695 -3.233 3.181 1.00 0.18 C ATOM 1255 C GLY A 419 -1.449 -2.523 1.890 1.00 0.14 C ATOM 1256 O GLY A 419 -2.381 -2.145 1.196 1.00 0.15 O ATOM 0 H GLY A 419 -2.808 -1.538 3.615 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.747 -3.466 3.665 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.199 -4.181 2.995 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.202 -2.322 1.572 1.00 0.10 N ATOM 1261 CA ILE A 420 0.147 -1.608 0.375 1.00 0.08 C ATOM 1262 C ILE A 420 0.086 -2.539 -0.828 1.00 0.08 C ATOM 1263 O ILE A 420 0.435 -3.718 -0.730 1.00 0.09 O ATOM 1264 CB ILE A 420 1.569 -1.026 0.475 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.611 0.239 1.340 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.115 -0.743 -0.904 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.754 -0.027 2.822 1.00 0.29 C ATOM 0 H ILE A 420 0.592 -2.643 2.126 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.567 -0.793 0.255 1.00 0.08 H new ATOM 0 HB ILE A 420 2.197 -1.772 0.962 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.443 0.862 1.012 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.699 0.811 1.171 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.121 -0.332 -0.820 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.148 -1.668 -1.479 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.471 -0.024 -1.410 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.776 0.920 3.361 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.909 -0.622 3.168 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.681 -0.571 3.006 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.364 -2.010 -1.958 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.573 -2.831 -3.138 1.00 0.06 C ATOM 1281 C HIS A 421 -0.594 -1.994 -4.398 1.00 0.07 C ATOM 1282 O HIS A 421 -0.801 -0.788 -4.345 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.897 -3.552 -3.003 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.085 -2.664 -2.938 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.655 -2.041 -4.019 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.816 -2.316 -1.866 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.697 -1.338 -3.575 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.842 -1.472 -2.270 1.00 0.08 N ATOM 0 H HIS A 421 -0.589 -1.023 -2.080 1.00 0.07 H new ATOM 0 HA HIS A 421 0.251 -3.541 -3.214 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -2.013 -4.230 -3.848 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.870 -4.166 -2.103 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.339 -2.104 -4.987 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.635 -2.641 -0.852 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.339 -0.737 -4.202 1.00 0.09 H new ATOM 0 HE2 HIS A 421 -5.558 -1.045 -1.682 1.00 0.08 H new ATOM 1296 N ASP A 422 -0.397 -2.649 -5.531 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.554 -2.001 -6.812 1.00 0.07 C ATOM 1298 C ASP A 422 -2.030 -2.061 -7.188 1.00 0.11 C ATOM 1299 O ASP A 422 -2.717 -3.009 -6.849 1.00 0.20 O ATOM 1300 CB ASP A 422 0.307 -2.692 -7.872 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.453 -3.739 -8.669 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.897 -4.739 -8.068 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.607 -3.568 -9.893 1.00 0.80 O ATOM 0 H ASP A 422 -0.128 -3.631 -5.584 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.226 -0.963 -6.754 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.703 -1.941 -8.555 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.161 -3.163 -7.386 1.00 0.09 H new ATOM 1308 N SER A 423 -2.532 -1.042 -7.837 1.00 0.09 N ATOM 1309 CA SER A 423 -3.964 -0.937 -8.053 1.00 0.11 C ATOM 1310 C SER A 423 -4.257 -0.558 -9.478 1.00 0.14 C ATOM 1311 O SER A 423 -4.239 0.609 -9.854 1.00 0.17 O ATOM 1312 CB SER A 423 -4.563 0.092 -7.087 1.00 0.14 C ATOM 1313 OG SER A 423 -5.933 0.292 -7.344 1.00 0.23 O ATOM 0 H SER A 423 -1.981 -0.276 -8.225 1.00 0.09 H new ATOM 0 HA SER A 423 -4.421 -1.908 -7.860 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.428 -0.247 -6.060 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.030 1.038 -7.182 1.00 0.14 H new ATOM 0 HG SER A 423 -6.465 -0.220 -6.700 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.566 -1.579 -10.255 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.791 -1.424 -11.674 1.00 0.21 C ATOM 1321 C ASP A 424 -6.196 -0.911 -11.925 1.00 0.24 C ATOM 1322 O ASP A 424 -6.508 -0.360 -12.978 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.566 -2.758 -12.372 1.00 0.24 C ATOM 1324 CG ASP A 424 -5.032 -2.759 -13.814 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.296 -2.248 -14.683 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -6.136 -3.275 -14.087 1.00 0.37 O ATOM 0 H ASP A 424 -4.667 -2.536 -9.918 1.00 0.16 H new ATOM 0 HA ASP A 424 -4.088 -0.696 -12.078 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.505 -3.004 -12.339 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -5.092 -3.541 -11.826 1.00 0.24 H new ATOM 1331 N TRP A 425 -7.036 -1.108 -10.916 1.00 0.24 N ATOM 1332 CA TRP A 425 -8.447 -0.781 -10.996 1.00 0.27 C ATOM 1333 C TRP A 425 -8.692 0.695 -10.712 1.00 0.30 C ATOM 1334 O TRP A 425 -9.693 1.259 -11.151 1.00 0.32 O ATOM 1335 CB TRP A 425 -9.236 -1.633 -9.992 1.00 0.25 C ATOM 1336 CG TRP A 425 -8.832 -1.393 -8.564 1.00 0.23 C ATOM 1337 CD1 TRP A 425 -9.146 -0.301 -7.815 1.00 0.25 C ATOM 1338 CD2 TRP A 425 -8.054 -2.251 -7.715 1.00 0.19 C ATOM 1339 NE1 TRP A 425 -8.577 -0.396 -6.572 1.00 0.23 N ATOM 1340 CE2 TRP A 425 -7.929 -1.595 -6.476 1.00 0.19 C ATOM 1341 CE3 TRP A 425 -7.444 -3.504 -7.871 1.00 0.16 C ATOM 1342 CZ2 TRP A 425 -7.232 -2.143 -5.413 1.00 0.17 C ATOM 1343 CZ3 TRP A 425 -6.754 -4.046 -6.809 1.00 0.14 C ATOM 1344 CH2 TRP A 425 -6.657 -3.364 -5.593 1.00 0.15 C ATOM 0 H TRP A 425 -6.753 -1.500 -10.018 1.00 0.24 H new ATOM 0 HA TRP A 425 -8.784 -0.995 -12.010 1.00 0.27 H new ATOM 0 HB2 TRP A 425 -10.299 -1.421 -10.102 1.00 0.25 H new ATOM 0 HB3 TRP A 425 -9.095 -2.687 -10.230 1.00 0.25 H new ATOM 0 HD1 TRP A 425 -9.757 0.523 -8.152 1.00 0.25 H new ATOM 0 HE1 TRP A 425 -8.629 0.312 -5.839 1.00 0.23 H new ATOM 0 HE3 TRP A 425 -7.514 -4.035 -8.809 1.00 0.16 H new ATOM 0 HZ2 TRP A 425 -7.147 -1.619 -4.472 1.00 0.17 H new ATOM 0 HZ3 TRP A 425 -6.282 -5.011 -6.918 1.00 0.14 H new ATOM 0 HH2 TRP A 425 -6.113 -3.816 -4.777 1.00 0.15 H new ATOM 1355 N GLN A 426 -7.786 1.307 -9.970 1.00 0.31 N ATOM 1356 CA GLN A 426 -7.955 2.688 -9.564 1.00 0.33 C ATOM 1357 C GLN A 426 -7.395 3.617 -10.617 1.00 0.36 C ATOM 1358 O GLN A 426 -6.276 3.459 -11.103 1.00 0.39 O ATOM 1359 CB GLN A 426 -7.321 2.929 -8.187 1.00 0.31 C ATOM 1360 CG GLN A 426 -8.208 3.639 -7.185 1.00 0.60 C ATOM 1361 CD GLN A 426 -8.026 5.130 -7.212 1.00 0.72 C ATOM 1362 OE1 GLN A 426 -7.812 5.729 -8.256 1.00 1.74 O ATOM 1363 NE2 GLN A 426 -8.075 5.743 -6.055 1.00 0.53 N ATOM 0 H GLN A 426 -6.927 0.869 -9.637 1.00 0.31 H new ATOM 0 HA GLN A 426 -9.020 2.902 -9.470 1.00 0.33 H new ATOM 0 HB2 GLN A 426 -7.024 1.968 -7.768 1.00 0.31 H new ATOM 0 HB3 GLN A 426 -6.411 3.513 -8.321 1.00 0.31 H new ATOM 0 HG2 GLN A 426 -9.251 3.399 -7.394 1.00 0.60 H new ATOM 0 HG3 GLN A 426 -7.990 3.267 -6.184 1.00 0.60 H new ATOM 0 HE21 GLN A 426 -8.256 5.211 -5.203 1.00 0.53 H new ATOM 0 HE22 GLN A 426 -7.932 6.752 -6.006 1.00 0.53 H new ATOM 1372 N PRO A 427 -8.222 4.565 -10.995 1.00 0.43 N ATOM 1373 CA PRO A 427 -7.936 5.527 -12.054 1.00 0.50 C ATOM 1374 C PRO A 427 -6.893 6.574 -11.650 1.00 0.32 C ATOM 1375 O PRO A 427 -5.899 6.768 -12.356 1.00 0.29 O ATOM 1376 CB PRO A 427 -9.308 6.156 -12.286 1.00 0.73 C ATOM 1377 CG PRO A 427 -10.012 6.037 -10.993 1.00 0.72 C ATOM 1378 CD PRO A 427 -9.546 4.760 -10.395 1.00 0.53 C ATOM 0 HA PRO A 427 -7.499 5.066 -12.940 1.00 0.50 H new ATOM 0 HB2 PRO A 427 -9.217 7.199 -12.590 1.00 0.73 H new ATOM 0 HB3 PRO A 427 -9.849 5.639 -13.078 1.00 0.73 H new ATOM 0 HG2 PRO A 427 -9.781 6.881 -10.343 1.00 0.72 H new ATOM 0 HG3 PRO A 427 -11.093 6.031 -11.135 1.00 0.72 H new ATOM 0 HD2 PRO A 427 -9.489 4.823 -9.308 1.00 0.53 H new ATOM 0 HD3 PRO A 427 -10.219 3.936 -10.632 1.00 0.53 H new ATOM 1386 N GLU A 428 -7.095 7.234 -10.508 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.302 8.381 -10.160 1.00 0.22 C ATOM 1388 C GLU A 428 -5.418 8.135 -8.968 1.00 0.21 C ATOM 1389 O GLU A 428 -5.661 7.276 -8.129 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.207 9.526 -9.779 1.00 0.34 C ATOM 1391 CG GLU A 428 -6.751 10.846 -10.304 1.00 1.11 C ATOM 1392 CD GLU A 428 -6.814 10.923 -11.812 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -7.903 11.204 -12.350 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -5.773 10.715 -12.466 1.00 2.16 O1- ATOM 0 H GLU A 428 -7.804 6.983 -9.819 1.00 0.31 H new ATOM 0 HA GLU A 428 -5.688 8.601 -11.033 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -8.212 9.324 -10.151 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.274 9.580 -8.692 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.369 11.636 -9.877 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -5.728 11.030 -9.977 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.443 8.993 -8.896 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.490 9.047 -7.812 1.00 0.14 C ATOM 1403 C TYR A 429 -2.993 10.451 -7.775 1.00 0.17 C ATOM 1404 O TYR A 429 -2.486 10.977 -8.767 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.271 8.131 -7.936 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.537 6.754 -8.481 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.850 6.567 -9.818 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.457 5.642 -7.663 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -3.085 5.311 -10.324 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.691 4.377 -8.159 1.00 0.20 C ATOM 1411 CZ TYR A 429 -3.007 4.220 -9.492 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.227 2.969 -10.001 1.00 0.33 O ATOM 0 H TYR A 429 -4.279 9.701 -9.612 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.012 8.707 -6.917 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.537 8.619 -8.578 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.815 8.029 -6.951 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.910 7.423 -10.474 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.207 5.766 -6.620 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.329 5.182 -11.368 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.627 3.517 -7.509 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.663 2.412 -9.323 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.175 11.059 -6.660 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.852 12.450 -6.545 1.00 0.17 C ATOM 1424 C GLY A 430 -3.447 13.017 -5.312 1.00 0.17 C ATOM 1425 O GLY A 430 -3.675 12.277 -4.351 1.00 0.16 O ATOM 0 H GLY A 430 -3.543 10.626 -5.813 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.770 12.578 -6.527 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.222 12.989 -7.417 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.640 14.330 -5.305 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.468 14.943 -4.294 1.00 0.21 C ATOM 1431 C GLY A 431 -5.657 14.110 -3.975 1.00 0.19 C ATOM 1432 O GLY A 431 -6.099 13.272 -4.767 1.00 0.18 O ATOM 0 H GLY A 431 -3.237 14.978 -5.982 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.881 15.100 -3.389 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.794 15.925 -4.637 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.244 14.453 -2.884 1.00 0.21 N ATOM 1437 CA ASP A 432 -7.007 13.528 -2.101 1.00 0.21 C ATOM 1438 C ASP A 432 -8.051 12.775 -2.908 1.00 0.18 C ATOM 1439 O ASP A 432 -9.118 13.284 -3.239 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.695 14.345 -1.038 1.00 0.25 C ATOM 1441 CG ASP A 432 -6.744 14.990 -0.050 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -6.137 16.027 -0.400 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -6.621 14.494 1.085 1.00 1.85 O1- ATOM 0 H ASP A 432 -6.211 15.397 -2.498 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.338 12.770 -1.693 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.288 15.123 -1.518 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -8.390 13.705 -0.494 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.693 11.529 -3.199 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.603 10.549 -3.749 1.00 0.13 C ATOM 1450 C LEU A 433 -9.189 9.740 -2.618 1.00 0.12 C ATOM 1451 O LEU A 433 -10.336 9.358 -2.681 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.899 9.579 -4.688 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.604 10.014 -6.096 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.394 11.205 -6.543 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.160 10.219 -6.242 1.00 1.08 C ATOM 0 H LEU A 433 -6.748 11.173 -3.055 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.368 11.088 -4.307 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.953 9.300 -4.224 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.506 8.675 -4.743 1.00 0.15 H new ATOM 0 HG LEU A 433 -7.927 9.215 -6.763 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.124 11.456 -7.569 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.458 10.975 -6.494 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -8.175 12.052 -5.892 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -5.939 10.535 -7.261 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.829 10.988 -5.544 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -5.637 9.287 -6.029 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.389 9.422 -1.622 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.784 8.459 -0.590 1.00 0.10 C ATOM 1469 C TRP A 434 -10.156 8.772 -0.012 1.00 0.11 C ATOM 1470 O TRP A 434 -10.923 7.875 0.324 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.712 8.414 0.497 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.502 9.735 1.128 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.663 10.722 0.705 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.158 10.221 2.292 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.829 11.830 1.500 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.717 11.532 2.496 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -9.093 9.679 3.173 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -8.182 12.308 3.542 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.548 10.450 4.210 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -9.095 11.756 4.388 1.00 0.16 C ATOM 0 H TRP A 434 -7.455 9.813 -1.496 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.866 7.473 -1.048 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -8.000 7.690 1.260 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.774 8.066 0.066 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.976 10.645 -0.125 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.365 12.729 1.369 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.452 8.669 3.040 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.832 13.320 3.683 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.269 10.039 4.901 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.475 12.341 5.212 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.479 10.051 0.039 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.721 10.498 0.618 1.00 0.14 C ATOM 1493 C LYS A 435 -12.852 10.474 -0.383 1.00 0.17 C ATOM 1494 O LYS A 435 -13.997 10.196 -0.048 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.537 11.904 1.157 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.246 12.516 0.695 1.00 0.15 C ATOM 1497 CD LYS A 435 -10.011 13.868 1.288 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.640 14.008 2.648 1.00 0.18 C ATOM 1499 NZ LYS A 435 -10.388 15.339 3.263 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.888 10.801 -0.319 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.987 9.815 1.424 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.370 12.528 0.835 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.558 11.881 2.247 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.419 11.857 0.961 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.253 12.596 -0.392 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.939 14.048 1.365 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.415 14.630 0.622 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.715 13.849 2.565 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -10.252 13.229 3.305 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.843 15.381 4.197 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -9.364 15.484 3.370 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.781 16.084 2.652 1.00 0.22 H new ATOM 1513 N THR A 436 -12.506 10.780 -1.603 1.00 0.16 N ATOM 1514 CA THR A 436 -13.474 10.911 -2.674 1.00 0.19 C ATOM 1515 C THR A 436 -13.714 9.578 -3.362 1.00 0.19 C ATOM 1516 O THR A 436 -14.847 9.186 -3.637 1.00 0.22 O ATOM 1517 CB THR A 436 -12.949 11.941 -3.683 1.00 0.23 C ATOM 1518 OG1 THR A 436 -11.937 11.366 -4.517 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.333 13.080 -2.919 1.00 0.21 C ATOM 0 H THR A 436 -11.542 10.948 -1.891 1.00 0.16 H new ATOM 0 HA THR A 436 -14.426 11.242 -2.259 1.00 0.19 H new ATOM 0 HB THR A 436 -13.777 12.278 -4.307 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.617 12.039 -5.154 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.953 13.824 -3.619 1.00 0.21 H new ATOM 0 HG22 THR A 436 -13.086 13.537 -2.277 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.513 12.706 -2.307 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.629 8.883 -3.610 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.671 7.593 -4.266 1.00 0.20 C ATOM 1529 C ARG A 437 -12.767 6.498 -3.222 1.00 0.20 C ATOM 1530 O ARG A 437 -13.159 5.368 -3.518 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.405 7.419 -5.093 1.00 0.24 C ATOM 1532 CG ARG A 437 -10.910 8.681 -5.670 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.067 8.411 -6.881 1.00 0.40 C ATOM 1534 NE ARG A 437 -10.870 7.916 -7.987 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.234 8.647 -9.042 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.819 9.905 -9.172 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.023 8.116 -9.967 1.00 1.47 N ATOM 0 H ARG A 437 -11.690 9.195 -3.363 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.541 7.534 -4.919 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.627 6.984 -4.466 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.599 6.711 -5.898 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.752 9.319 -5.941 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.326 9.223 -4.926 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.556 9.326 -7.181 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.296 7.681 -6.634 1.00 0.40 H new ATOM 0 HE ARG A 437 -11.176 6.944 -7.954 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.216 10.319 -8.461 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -11.103 10.455 -9.983 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -12.348 7.154 -9.869 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.305 8.670 -10.776 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.409 6.868 -1.995 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.764 6.094 -0.827 1.00 0.18 C ATOM 1553 C GLY A 438 -12.382 4.638 -0.913 1.00 0.21 C ATOM 1554 O GLY A 438 -13.207 3.773 -0.620 1.00 0.24 O ATOM 0 H GLY A 438 -11.868 7.709 -1.792 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.283 6.534 0.047 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.840 6.167 -0.669 1.00 0.18 H new ATOM 1558 N SER A 439 -11.158 4.335 -1.314 1.00 0.22 N ATOM 1559 CA SER A 439 -10.828 2.952 -1.573 1.00 0.27 C ATOM 1560 C SER A 439 -10.419 2.228 -0.294 1.00 0.27 C ATOM 1561 O SER A 439 -9.345 2.465 0.254 1.00 0.27 O ATOM 1562 CB SER A 439 -9.717 2.864 -2.614 1.00 0.31 C ATOM 1563 OG SER A 439 -10.105 3.522 -3.812 1.00 1.01 O ATOM 0 H SER A 439 -10.403 5.005 -1.462 1.00 0.22 H new ATOM 0 HA SER A 439 -11.719 2.459 -1.962 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.806 3.317 -2.222 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.489 1.819 -2.824 1.00 0.31 H new ATOM 0 HG SER A 439 -9.381 3.458 -4.469 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.295 1.317 0.126 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.094 0.464 1.299 1.00 0.32 C ATOM 1571 C HIS A 440 -10.402 1.177 2.471 1.00 0.28 C ATOM 1572 O HIS A 440 -10.855 2.232 2.922 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.340 -0.805 0.905 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.182 -1.806 0.183 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.393 -2.240 0.668 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.982 -2.476 -0.976 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.903 -3.128 -0.149 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.071 -3.292 -1.163 1.00 0.48 N ATOM 0 H HIS A 440 -12.182 1.147 -0.348 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.086 0.198 1.663 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.494 -0.533 0.274 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.932 -1.268 1.803 1.00 0.36 H new ATOM 0 HD1 HIS A 440 -12.828 -1.919 1.533 1.00 0.45 H new ATOM 0 HD2 HIS A 440 -10.127 -2.386 -1.630 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.845 -3.640 -0.016 1.00 0.50 H new ATOM 1587 N GLY A 441 -9.304 0.597 2.957 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.646 1.114 4.142 1.00 0.22 C ATOM 1589 C GLY A 441 -7.169 1.382 3.943 1.00 0.17 C ATOM 1590 O GLY A 441 -6.571 2.153 4.697 1.00 0.26 O ATOM 0 H GLY A 441 -8.860 -0.225 2.547 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.137 2.038 4.447 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.772 0.402 4.958 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.569 0.744 2.944 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.139 0.825 2.763 1.00 0.15 C ATOM 1596 C CYS A 442 -4.739 1.739 1.615 1.00 0.13 C ATOM 1597 O CYS A 442 -5.519 2.567 1.162 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.535 -0.557 2.544 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.149 -1.395 1.067 1.00 0.35 S ATOM 0 H CYS A 442 -7.055 0.170 2.255 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.745 1.256 3.683 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.451 -0.463 2.473 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.744 -1.177 3.416 1.00 0.24 H new ATOM 1604 N ILE A 443 -3.482 1.627 1.208 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.920 2.490 0.184 1.00 0.07 C ATOM 1606 C ILE A 443 -3.072 1.867 -1.192 1.00 0.08 C ATOM 1607 O ILE A 443 -2.719 0.709 -1.408 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.424 2.785 0.453 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.236 3.727 1.651 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.746 3.383 -0.784 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.566 3.124 3.001 1.00 0.11 C ATOM 0 H ILE A 443 -2.827 0.938 1.578 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.473 3.429 0.216 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.953 1.831 0.689 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.201 4.068 1.666 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.860 4.608 1.502 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.303 3.579 -0.564 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.818 2.680 -1.614 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.241 4.316 -1.055 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.401 3.867 3.781 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.610 2.809 3.014 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -0.925 2.261 3.181 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.605 2.644 -2.115 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.786 2.187 -3.481 1.00 0.08 C ATOM 1625 C ASN A 444 -2.674 2.735 -4.356 1.00 0.07 C ATOM 1626 O ASN A 444 -2.773 3.833 -4.903 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.155 2.599 -4.023 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.285 1.686 -3.565 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -6.158 1.113 -2.376 1.00 0.62 O flip ATOM 1630 ND2 ASN A 444 -7.264 1.481 -4.290 1.00 0.15 N flip ATOM 0 H ASN A 444 -3.922 3.598 -1.944 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.742 1.098 -3.492 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.371 3.619 -3.707 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.120 2.604 -5.112 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -7.330 1.938 -5.199 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -8.006 0.854 -3.979 1.00 0.15 H new ATOM 1637 N THR A 445 -1.604 1.976 -4.438 1.00 0.08 N ATOM 1638 CA THR A 445 -0.444 2.324 -5.204 1.00 0.08 C ATOM 1639 C THR A 445 -0.589 1.961 -6.678 1.00 0.08 C ATOM 1640 O THR A 445 -1.214 0.976 -7.024 1.00 0.10 O ATOM 1641 CB THR A 445 0.747 1.587 -4.604 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.660 1.592 -3.172 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.024 2.229 -5.014 1.00 0.06 C ATOM 0 H THR A 445 -1.522 1.079 -3.959 1.00 0.08 H new ATOM 0 HA THR A 445 -0.306 3.404 -5.161 1.00 0.08 H new ATOM 0 HB THR A 445 0.729 0.561 -4.971 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.534 1.821 -2.792 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.861 1.687 -4.575 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.109 2.209 -6.101 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.039 3.262 -4.668 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.038 2.807 -7.558 1.00 0.08 N ATOM 1652 CA PRO A 446 0.014 2.562 -9.002 1.00 0.10 C ATOM 1653 C PRO A 446 0.552 1.199 -9.358 1.00 0.14 C ATOM 1654 O PRO A 446 1.456 0.669 -8.708 1.00 0.24 O ATOM 1655 CB PRO A 446 0.955 3.653 -9.499 1.00 0.10 C ATOM 1656 CG PRO A 446 0.799 4.756 -8.529 1.00 0.08 C ATOM 1657 CD PRO A 446 0.548 4.106 -7.207 1.00 0.07 C ATOM 0 HA PRO A 446 -0.980 2.584 -9.450 1.00 0.10 H new ATOM 0 HB2 PRO A 446 1.986 3.300 -9.535 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.692 3.973 -10.507 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.695 5.376 -8.496 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.030 5.407 -8.808 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.470 3.988 -6.638 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.131 4.698 -6.593 1.00 0.07 H new ATOM 1665 N PRO A 447 0.002 0.622 -10.418 1.00 0.12 N ATOM 1666 CA PRO A 447 0.352 -0.715 -10.855 1.00 0.12 C ATOM 1667 C PRO A 447 1.804 -0.821 -11.313 1.00 0.14 C ATOM 1668 O PRO A 447 2.419 -1.886 -11.247 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.590 -0.957 -12.023 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.688 0.004 -11.821 1.00 0.14 C ATOM 1671 CD PRO A 447 -1.023 1.214 -11.289 1.00 0.13 C ATOM 0 HA PRO A 447 0.257 -1.443 -10.050 1.00 0.12 H new ATOM 0 HB2 PRO A 447 -0.089 -0.792 -12.977 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.958 -1.983 -12.030 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.209 0.215 -12.755 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.430 -0.382 -11.122 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.587 1.825 -12.080 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.713 1.852 -10.737 1.00 0.13 H new ATOM 1679 N SER A 448 2.354 0.300 -11.745 1.00 0.12 N ATOM 1680 CA SER A 448 3.688 0.338 -12.312 1.00 0.11 C ATOM 1681 C SER A 448 4.767 0.306 -11.239 1.00 0.09 C ATOM 1682 O SER A 448 5.903 -0.067 -11.482 1.00 0.09 O ATOM 1683 CB SER A 448 3.831 1.608 -13.127 1.00 0.14 C ATOM 1684 OG SER A 448 3.574 2.755 -12.331 1.00 1.10 O ATOM 0 H SER A 448 1.889 1.207 -11.712 1.00 0.12 H new ATOM 0 HA SER A 448 3.819 -0.546 -12.936 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.837 1.667 -13.542 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.140 1.583 -13.970 1.00 0.14 H new ATOM 0 HG SER A 448 3.674 3.562 -12.878 1.00 1.10 H new ATOM 1690 N VAL A 449 4.407 0.746 -10.056 1.00 0.07 N ATOM 1691 CA VAL A 449 5.388 0.969 -9.009 1.00 0.06 C ATOM 1692 C VAL A 449 5.459 -0.155 -8.019 1.00 0.05 C ATOM 1693 O VAL A 449 6.526 -0.652 -7.723 1.00 0.05 O ATOM 1694 CB VAL A 449 5.087 2.282 -8.310 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.155 3.387 -9.325 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.735 2.223 -7.661 1.00 0.06 C ATOM 0 H VAL A 449 3.445 0.958 -9.791 1.00 0.07 H new ATOM 0 HA VAL A 449 6.368 1.014 -9.483 1.00 0.06 H new ATOM 0 HB VAL A 449 5.820 2.470 -7.525 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.941 4.340 -8.841 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.153 3.418 -9.762 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.420 3.206 -10.110 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.529 3.170 -7.162 1.00 0.06 H new ATOM 0 HG22 VAL A 449 2.975 2.040 -8.420 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.718 1.416 -6.928 1.00 0.06 H new ATOM 1706 N MET A 450 4.344 -0.589 -7.522 1.00 0.05 N ATOM 1707 CA MET A 450 4.361 -1.644 -6.537 1.00 0.05 C ATOM 1708 C MET A 450 4.851 -2.942 -7.158 1.00 0.05 C ATOM 1709 O MET A 450 5.019 -3.945 -6.467 1.00 0.06 O ATOM 1710 CB MET A 450 3.004 -1.789 -5.864 1.00 0.07 C ATOM 1711 CG MET A 450 2.965 -1.300 -4.420 1.00 0.06 C ATOM 1712 SD MET A 450 3.261 -2.608 -3.209 1.00 0.06 S ATOM 1713 CE MET A 450 2.939 -4.064 -4.176 1.00 0.05 C ATOM 0 H MET A 450 3.418 -0.241 -7.772 1.00 0.05 H new ATOM 0 HA MET A 450 5.067 -1.379 -5.750 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.264 -1.237 -6.443 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.710 -2.838 -5.888 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.713 -0.518 -4.289 1.00 0.06 H new ATOM 0 HG3 MET A 450 1.993 -0.847 -4.224 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.837 -4.925 -3.515 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.017 -3.929 -4.741 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.766 -4.233 -4.866 1.00 0.05 H new ATOM 1723 N LYS A 451 5.130 -2.915 -8.441 1.00 0.05 N ATOM 1724 CA LYS A 451 5.726 -4.060 -9.077 1.00 0.05 C ATOM 1725 C LYS A 451 7.217 -4.034 -8.803 1.00 0.05 C ATOM 1726 O LYS A 451 7.859 -5.048 -8.517 1.00 0.06 O ATOM 1727 CB LYS A 451 5.475 -4.019 -10.565 1.00 0.06 C ATOM 1728 CG LYS A 451 6.221 -2.930 -11.196 1.00 0.06 C ATOM 1729 CD LYS A 451 5.993 -2.876 -12.657 1.00 0.08 C ATOM 1730 CE LYS A 451 7.041 -2.016 -13.277 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.335 -2.729 -13.441 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.955 -2.121 -9.056 1.00 0.05 H new ATOM 0 HA LYS A 451 5.287 -4.976 -8.681 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.766 -4.970 -11.012 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.409 -3.891 -10.754 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.926 -1.981 -10.748 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.285 -3.058 -11.000 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.029 -3.879 -13.082 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.002 -2.475 -12.869 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.694 -1.670 -14.251 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.193 -1.131 -12.660 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.048 -2.303 -12.815 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.212 -3.732 -13.194 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.651 -2.652 -14.429 1.00 0.92 H new ATOM 1745 N GLU A 452 7.718 -2.800 -8.842 1.00 0.05 N ATOM 1746 CA GLU A 452 9.091 -2.472 -8.675 1.00 0.05 C ATOM 1747 C GLU A 452 9.460 -2.893 -7.312 1.00 0.05 C ATOM 1748 O GLU A 452 10.501 -3.466 -7.042 1.00 0.06 O ATOM 1749 CB GLU A 452 9.180 -0.976 -8.731 1.00 0.05 C ATOM 1750 CG GLU A 452 8.695 -0.398 -10.015 1.00 0.07 C ATOM 1751 CD GLU A 452 9.786 -0.171 -11.035 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.572 0.781 -10.863 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 9.872 -0.943 -12.012 1.00 0.24 O ATOM 0 H GLU A 452 7.132 -1.980 -8.999 1.00 0.05 H new ATOM 0 HA GLU A 452 9.729 -2.940 -9.424 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.599 -0.555 -7.910 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.216 -0.676 -8.575 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.945 -1.064 -10.442 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.199 0.551 -9.811 1.00 0.07 H new ATOM 1760 N LEU A 453 8.551 -2.495 -6.468 1.00 0.04 N ATOM 1761 CA LEU A 453 8.495 -2.837 -5.111 1.00 0.04 C ATOM 1762 C LEU A 453 8.688 -4.285 -4.873 1.00 0.05 C ATOM 1763 O LEU A 453 9.672 -4.671 -4.276 1.00 0.05 O ATOM 1764 CB LEU A 453 7.132 -2.445 -4.629 1.00 0.04 C ATOM 1765 CG LEU A 453 7.137 -1.855 -3.279 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.320 -0.997 -3.140 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.935 -1.039 -3.039 1.00 0.05 C ATOM 0 H LEU A 453 7.786 -1.882 -6.749 1.00 0.04 H new ATOM 0 HA LEU A 453 9.298 -2.324 -4.583 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.699 -1.730 -5.329 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.487 -3.324 -4.631 1.00 0.04 H new ATOM 0 HG LEU A 453 7.152 -2.668 -2.553 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.334 -0.555 -2.144 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.221 -1.593 -3.285 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.285 -0.205 -3.888 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.974 -0.620 -2.033 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.893 -0.229 -3.768 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.046 -1.662 -3.138 1.00 0.05 H new ATOM 1779 N PHE A 454 7.748 -5.077 -5.318 1.00 0.05 N ATOM 1780 CA PHE A 454 7.875 -6.533 -5.209 1.00 0.06 C ATOM 1781 C PHE A 454 9.280 -6.958 -5.647 1.00 0.07 C ATOM 1782 O PHE A 454 9.821 -7.974 -5.202 1.00 0.09 O ATOM 1783 CB PHE A 454 6.801 -7.259 -6.046 1.00 0.07 C ATOM 1784 CG PHE A 454 6.965 -8.767 -6.095 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.919 -9.335 -6.930 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.186 -9.621 -5.310 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.103 -10.701 -6.980 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.369 -10.991 -5.368 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.329 -11.530 -6.197 1.00 0.12 C ATOM 0 H PHE A 454 6.886 -4.755 -5.759 1.00 0.05 H new ATOM 0 HA PHE A 454 7.720 -6.816 -4.168 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.818 -7.025 -5.637 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.824 -6.869 -7.064 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.528 -8.695 -7.551 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.435 -9.208 -4.653 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.854 -11.121 -7.633 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.757 -11.641 -4.761 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.474 -12.600 -6.233 1.00 0.12 H new ATOM 1799 N GLY A 455 9.887 -6.107 -6.467 1.00 0.06 N ATOM 1800 CA GLY A 455 11.177 -6.405 -7.031 1.00 0.08 C ATOM 1801 C GLY A 455 12.302 -5.963 -6.123 1.00 0.08 C ATOM 1802 O GLY A 455 13.399 -6.517 -6.177 1.00 0.13 O ATOM 0 H GLY A 455 9.498 -5.208 -6.750 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.256 -7.477 -7.212 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.274 -5.911 -7.998 1.00 0.08 H new ATOM 1806 N MET A 456 12.042 -4.949 -5.295 1.00 0.06 N ATOM 1807 CA MET A 456 13.035 -4.482 -4.354 1.00 0.05 C ATOM 1808 C MET A 456 12.791 -4.933 -2.947 1.00 0.05 C ATOM 1809 O MET A 456 13.723 -5.322 -2.247 1.00 0.06 O ATOM 1810 CB MET A 456 13.153 -2.984 -4.361 1.00 0.05 C ATOM 1811 CG MET A 456 11.868 -2.277 -4.517 1.00 0.04 C ATOM 1812 SD MET A 456 11.925 -1.083 -5.841 1.00 0.05 S ATOM 1813 CE MET A 456 10.471 -0.210 -5.379 1.00 0.04 C ATOM 0 H MET A 456 11.156 -4.445 -5.264 1.00 0.06 H new ATOM 0 HA MET A 456 13.967 -4.932 -4.697 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.621 -2.663 -3.430 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.819 -2.687 -5.171 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.077 -3.000 -4.714 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.615 -1.773 -3.584 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.669 -0.442 -6.080 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.172 -0.507 -4.374 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.669 0.862 -5.397 1.00 0.04 H new ATOM 1823 N VAL A 457 11.566 -4.851 -2.505 1.00 0.05 N ATOM 1824 CA VAL A 457 11.267 -5.248 -1.157 1.00 0.05 C ATOM 1825 C VAL A 457 11.322 -6.733 -1.009 1.00 0.07 C ATOM 1826 O VAL A 457 11.049 -7.499 -1.938 1.00 0.08 O ATOM 1827 CB VAL A 457 9.939 -4.698 -0.615 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.173 -3.933 -1.664 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.091 -5.801 -0.004 1.00 0.05 C ATOM 0 H VAL A 457 10.770 -4.518 -3.049 1.00 0.05 H new ATOM 0 HA VAL A 457 12.047 -4.795 -0.545 1.00 0.05 H new ATOM 0 HB VAL A 457 10.186 -3.992 0.177 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.241 -3.563 -1.236 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.773 -3.092 -2.011 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.950 -4.591 -2.504 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.159 -5.378 0.370 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.870 -6.553 -0.762 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.635 -6.265 0.819 1.00 0.05 H new ATOM 1839 N GLU A 458 11.713 -7.117 0.167 1.00 0.08 N ATOM 1840 CA GLU A 458 11.844 -8.487 0.497 1.00 0.10 C ATOM 1841 C GLU A 458 10.860 -8.824 1.583 1.00 0.09 C ATOM 1842 O GLU A 458 10.404 -7.946 2.311 1.00 0.10 O ATOM 1843 CB GLU A 458 13.262 -8.746 0.974 1.00 0.13 C ATOM 1844 CG GLU A 458 14.051 -7.476 1.137 1.00 0.20 C ATOM 1845 CD GLU A 458 15.358 -7.666 1.877 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.325 -7.984 3.085 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.429 -7.481 1.259 1.00 0.48 O1- ATOM 0 H GLU A 458 11.950 -6.477 0.925 1.00 0.08 H new ATOM 0 HA GLU A 458 11.641 -9.109 -0.375 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.231 -9.277 1.926 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.769 -9.397 0.262 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.258 -7.058 0.152 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.443 -6.746 1.672 1.00 0.20 H new ATOM 1854 N LYS A 459 10.492 -10.086 1.653 1.00 0.11 N ATOM 1855 CA LYS A 459 9.738 -10.574 2.779 1.00 0.13 C ATOM 1856 C LYS A 459 10.524 -10.313 4.032 1.00 0.15 C ATOM 1857 O LYS A 459 11.503 -10.999 4.335 1.00 0.18 O ATOM 1858 CB LYS A 459 9.406 -12.048 2.659 1.00 0.16 C ATOM 1859 CG LYS A 459 8.449 -12.315 1.528 1.00 0.22 C ATOM 1860 CD LYS A 459 9.083 -13.119 0.426 1.00 0.70 C ATOM 1861 CE LYS A 459 9.293 -14.565 0.840 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.780 -15.401 -0.287 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.704 -10.788 0.944 1.00 0.11 H new ATOM 0 HA LYS A 459 8.786 -10.045 2.810 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.323 -12.615 2.501 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.971 -12.400 3.594 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.578 -12.848 1.909 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.092 -11.367 1.125 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.452 -13.082 -0.462 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.041 -12.675 0.155 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.011 -14.607 1.659 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.355 -14.974 1.216 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.910 -16.380 0.038 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.084 -15.382 -1.059 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.688 -15.027 -0.630 1.00 0.99 H new ATOM 1876 N GLY A 460 10.084 -9.298 4.730 1.00 0.15 N ATOM 1877 CA GLY A 460 10.776 -8.853 5.915 1.00 0.19 C ATOM 1878 C GLY A 460 11.098 -7.377 5.846 1.00 0.15 C ATOM 1879 O GLY A 460 11.577 -6.794 6.812 1.00 0.17 O ATOM 0 H GLY A 460 9.248 -8.762 4.499 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.162 -9.052 6.793 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.698 -9.423 6.035 1.00 0.19 H new ATOM 1883 N THR A 461 10.847 -6.784 4.690 1.00 0.12 N ATOM 1884 CA THR A 461 10.929 -5.355 4.517 1.00 0.07 C ATOM 1885 C THR A 461 9.779 -4.709 5.271 1.00 0.08 C ATOM 1886 O THR A 461 8.744 -5.332 5.478 1.00 0.13 O ATOM 1887 CB THR A 461 10.878 -5.013 3.005 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.128 -5.341 2.388 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.545 -3.556 2.758 1.00 0.05 C ATOM 0 H THR A 461 10.580 -7.289 3.845 1.00 0.12 H new ATOM 0 HA THR A 461 11.869 -4.972 4.915 1.00 0.07 H new ATOM 0 HB THR A 461 10.080 -5.609 2.562 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.288 -4.738 1.632 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.521 -3.365 1.685 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.570 -3.327 3.189 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.304 -2.926 3.222 1.00 0.05 H new ATOM 1897 N PRO A 462 9.944 -3.486 5.758 1.00 0.09 N ATOM 1898 CA PRO A 462 8.897 -2.792 6.422 1.00 0.14 C ATOM 1899 C PRO A 462 8.162 -1.918 5.439 1.00 0.13 C ATOM 1900 O PRO A 462 8.676 -1.601 4.365 1.00 0.18 O ATOM 1901 CB PRO A 462 9.654 -1.952 7.457 1.00 0.18 C ATOM 1902 CG PRO A 462 11.104 -2.119 7.118 1.00 0.13 C ATOM 1903 CD PRO A 462 11.130 -2.646 5.734 1.00 0.09 C ATOM 0 HA PRO A 462 8.145 -3.440 6.872 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.357 -0.905 7.407 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.445 -2.295 8.470 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.635 -1.169 7.186 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.592 -2.807 7.809 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.065 -1.855 4.986 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.037 -3.212 5.521 1.00 0.09 H new ATOM 1911 N VAL A 463 6.977 -1.535 5.781 1.00 0.09 N ATOM 1912 CA VAL A 463 6.286 -0.553 4.994 1.00 0.09 C ATOM 1913 C VAL A 463 5.920 0.570 5.907 1.00 0.08 C ATOM 1914 O VAL A 463 5.794 0.394 7.109 1.00 0.10 O ATOM 1915 CB VAL A 463 5.010 -1.066 4.314 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.237 -2.421 3.678 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.886 -1.093 5.314 1.00 0.54 C ATOM 0 H VAL A 463 6.465 -1.880 6.593 1.00 0.09 H new ATOM 0 HA VAL A 463 6.956 -0.254 4.188 1.00 0.09 H new ATOM 0 HB VAL A 463 4.735 -0.387 3.507 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.316 -2.759 3.204 1.00 0.57 H new ATOM 0 HG12 VAL A 463 6.024 -2.344 2.928 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.535 -3.137 4.444 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.979 -1.457 4.832 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.149 -1.755 6.139 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.715 -0.087 5.696 1.00 0.54 H new ATOM 1927 N LEU A 464 5.828 1.723 5.372 1.00 0.07 N ATOM 1928 CA LEU A 464 5.373 2.831 6.120 1.00 0.07 C ATOM 1929 C LEU A 464 4.392 3.565 5.301 1.00 0.07 C ATOM 1930 O LEU A 464 4.406 3.465 4.093 1.00 0.09 O ATOM 1931 CB LEU A 464 6.531 3.721 6.483 1.00 0.10 C ATOM 1932 CG LEU A 464 7.509 3.111 7.442 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.551 2.349 6.694 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.121 4.192 8.291 1.00 0.13 C ATOM 0 H LEU A 464 6.066 1.929 4.402 1.00 0.07 H new ATOM 0 HA LEU A 464 4.906 2.497 7.046 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.060 3.997 5.571 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.142 4.642 6.917 1.00 0.10 H new ATOM 0 HG LEU A 464 6.993 2.411 8.099 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.257 1.910 7.399 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.077 1.557 6.114 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.082 3.023 6.021 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.832 3.748 8.988 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.638 4.908 7.652 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.337 4.704 8.849 1.00 0.13 H new ATOM 1946 N VAL A 465 3.488 4.204 5.966 1.00 0.06 N ATOM 1947 CA VAL A 465 2.639 5.185 5.358 1.00 0.05 C ATOM 1948 C VAL A 465 2.510 6.281 6.379 1.00 0.08 C ATOM 1949 O VAL A 465 2.523 5.968 7.548 1.00 0.10 O ATOM 1950 CB VAL A 465 1.264 4.594 4.953 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.371 3.107 4.690 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.232 4.878 5.982 1.00 0.08 C ATOM 0 H VAL A 465 3.312 4.061 6.961 1.00 0.06 H new ATOM 0 HA VAL A 465 3.060 5.558 4.425 1.00 0.05 H new ATOM 0 HB VAL A 465 0.953 5.080 4.028 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.393 2.716 4.408 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.080 2.931 3.881 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.717 2.602 5.592 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.721 4.451 5.669 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.534 4.436 6.932 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.125 5.956 6.102 1.00 0.08 H new ATOM 1962 N PHE A 466 2.504 7.540 5.958 1.00 0.10 N ATOM 1963 CA PHE A 466 2.441 8.674 6.881 1.00 0.15 C ATOM 1964 C PHE A 466 2.488 10.004 6.138 1.00 0.21 C ATOM 1965 O PHE A 466 3.558 10.640 6.099 1.00 1.09 O ATOM 1966 CB PHE A 466 3.548 8.589 7.951 1.00 0.17 C ATOM 1967 CG PHE A 466 4.954 8.400 7.439 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.354 7.168 6.988 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.867 9.440 7.432 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.642 6.958 6.525 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.156 9.242 6.973 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.542 7.998 6.518 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.432 10.412 5.613 1.00 1.06 O ATOM 0 H PHE A 466 2.542 7.806 4.974 1.00 0.10 H new ATOM 0 HA PHE A 466 1.481 8.622 7.395 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.520 9.501 8.547 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.313 7.763 8.622 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.652 6.347 6.994 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.570 10.415 7.788 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.939 5.982 6.171 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.860 10.061 6.971 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.548 7.841 6.157 1.00 0.30 H new TER 1983 PHE A 466 HETATM 1984 C 1RG A 130 -10.808 -5.350 9.140 1.00 2.42 C HETATM 1985 N 1RG A 130 -9.372 -6.278 7.372 1.00 2.70 N HETATM 1986 O 1RG A 130 -11.527 -4.873 8.260 1.00 2.05 O HETATM 1987 CA 1RG A 130 -9.398 -5.828 8.785 1.00 2.68 C HETATM 1988 CB 1RG A 130 -8.391 -4.677 8.865 1.00 2.20 C HETATM 1989 CD 1RG A 130 -8.120 -5.751 6.827 1.00 2.17 C HETATM 1990 CG 1RG A 130 -8.066 -4.364 7.427 1.00 1.53 C HETATM 1991 CAA 1RG A 130 -6.656 -2.086 1.632 1.00 0.28 C HETATM 1992 CAB 1RG A 130 -6.579 -3.574 2.123 1.00 0.19 C HETATM 1993 OAC 1RG A 130 -7.707 -1.463 1.656 1.00 0.43 O HETATM 1994 CAD 1RG A 130 -7.769 -3.857 3.122 1.00 0.25 C HETATM 1995 CAE 1RG A 130 -6.510 -4.559 0.971 1.00 0.15 C HETATM 1996 CAF 1RG A 130 -6.430 -5.996 1.471 1.00 0.11 C HETATM 1997 OAG 1RG A 130 -7.666 -4.407 0.138 1.00 0.20 O HETATM 1998 CAH 1RG A 130 -7.517 -3.440 4.562 1.00 0.33 C HETATM 1999 CAI 1RG A 130 -8.826 -3.282 5.025 1.00 0.37 C HETATM 2000 NAJ 1RG A 130 -8.989 -3.097 2.807 1.00 0.34 N HETATM 2001 SAK 1RG A 130 -9.330 -3.358 6.706 1.00 0.71 S HETATM 2002 CAL 1RG A 130 -9.648 -3.111 3.971 1.00 0.33 C HETATM 2003 CAM 1RG A 130 -10.977 -2.963 4.115 1.00 0.53 C HETATM 2004 CAS 1RG A 130 -6.741 -2.131 4.687 1.00 0.41 C HETATM 2005 OAT 1RG A 130 -11.690 -2.821 3.108 1.00 0.66 O HETATM 2006 OAU 1RG A 130 -11.519 -2.972 5.235 1.00 0.67 O HETATM 2007 NAX 1RG A 130 -11.137 -5.518 10.453 1.00 2.87 N HETATM 2008 CAY 1RG A 130 -12.361 -5.143 10.907 1.00 2.84 C HETATM 2009 CAZ 1RG A 130 -12.647 -5.324 12.259 1.00 3.47 C HETATM 2010 CBA 1RG A 130 -13.885 -4.950 12.771 1.00 3.58 C HETATM 2011 CBB 1RG A 130 -14.845 -4.394 11.932 1.00 3.10 C HETATM 2012 CBC 1RG A 130 -14.571 -4.213 10.590 1.00 2.54 C HETATM 2013 CBD 1RG A 130 -13.340 -4.584 10.076 1.00 2.37 C HETATM 2014 CBE 1RG A 130 -14.159 -5.129 14.124 1.00 4.28 C HETATM 2015 OBF 1RG A 130 -15.247 -4.761 14.613 1.00 4.45 O HETATM 2016 OBG 1RG A 130 -13.325 -5.656 14.886 1.00 4.82 O HETATM 0 HOBF 1RG A 130 -15.363 -5.168 15.497 1.00 4.45 H new HETATM 0 HOAG 1RG A 130 -7.434 -3.871 -0.649 1.00 0.20 H new HETATM 0 HNAX 1RG A 130 -10.460 -5.927 11.097 1.00 2.87 H new HETATM 0 HNAJ 1RG A 130 -9.263 -2.668 1.923 1.00 0.34 H new HETATM 0 HASB 1RG A 130 -5.770 -2.236 4.202 1.00 0.41 H new HETATM 0 HASA 1RG A 130 -7.301 -1.329 4.207 1.00 0.41 H new HETATM 0 HAFB 1RG A 130 -5.537 -6.119 2.084 1.00 0.11 H new HETATM 0 HAFA 1RG A 130 -7.314 -6.224 2.067 1.00 0.11 H new HETATM 0 HN 1RG A 130 -10.075 -6.834 6.885 1.00 2.70 H new HETATM 0 HG 1RG A 130 -7.130 -3.825 7.282 1.00 1.53 H new HETATM 0 HDA 1RG A 130 -7.262 -6.355 7.122 1.00 2.17 H new HETATM 0 HD 1RG A 130 -8.131 -5.723 5.737 1.00 2.17 H new HETATM 0 HBD 1RG A 130 -13.131 -4.440 9.016 1.00 2.37 H new HETATM 0 HBC 1RG A 130 -15.325 -3.777 9.935 1.00 2.54 H new HETATM 0 HBB 1RG A 130 -15.815 -4.101 12.334 1.00 3.10 H new HETATM 0 HBA 1RG A 130 -8.816 -3.812 9.374 1.00 2.20 H new HETATM 0 HB 1RG A 130 -7.499 -4.967 9.420 1.00 2.20 H new HETATM 0 HAZ 1RG A 130 -11.897 -5.761 12.918 1.00 3.47 H new HETATM 0 HAS 1RG A 130 -6.596 -1.893 5.741 1.00 0.41 H new HETATM 0 HAH 1RG A 130 -6.906 -4.156 5.111 1.00 0.33 H new HETATM 0 HAF 1RG A 130 -6.382 -6.675 0.620 1.00 0.11 H new HETATM 0 HAE 1RG A 130 -5.607 -4.347 0.399 1.00 0.15 H new HETATM 0 HAD 1RG A 130 -7.869 -4.937 3.010 1.00 0.25 H new HETATM 0 HAB 1RG A 130 -5.645 -3.722 2.665 1.00 0.19 H new HETATM 0 HA 1RG A 130 -9.141 -6.623 9.484 1.00 2.68 H new