USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1104 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 465 ASN : amide:sc= -0.0476 K(o=-0.043,f=-1.9!) USER MOD Set 1.2: A 466 LYS NZ :NH3+ -94:sc= 0.00507 (180deg=0) USER MOD Set 2.1: A 79 LYS NZ :NH3+ 146:sc= 0.534 (180deg=0) USER MOD Set 2.2: A 451 ASN : amide:sc= 0.452 K(o=0.99,f=-3.5) USER MOD Set 3.1: A 48 MET CE :methyl -127:sc= -0.0657 (180deg=-0.461) USER MOD Set 3.2: A 460 GLN : amide:sc= -0.189 K(o=-1.1,f=-3.2) USER MOD Set 3.3: A 464 MET CE :methyl -149:sc= -0.888 (180deg=-0.701) USER MOD Set 4.1: A 18 SER OG : rot -82:sc= 1.3 USER MOD Set 4.2: A 40 TYR OH : rot 17:sc= 0.989 USER MOD Set 4.3: A 71 THR OG1 : rot 102:sc= 0.496 USER MOD Set 4.4: A 74 ASN :FLIP amide:sc= 0.652 F(o=1.7,f=3.4) USER MOD Single : A 2 THR OG1 : rot -31:sc= 0.248 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -125:sc= 0.0663 USER MOD Single : A 9 ASN : amide:sc=-0.00272 K(o=-0.0027,f=-1.5) USER MOD Single : A 12 GLN : amide:sc=-0.00518 K(o=-0.0052,f=-0.93) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 20 SER OG : rot 74:sc= 0.686 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.86) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 43 SER OG : rot 80:sc= 1 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 63 MET CE :methyl -178:sc= -3.47! (180deg=-3.53!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc=-0.00119 F(o=-0.81,f=-0.0012) USER MOD Single : A 76 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.025) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0485) USER MOD Single : A 439 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.3) USER MOD Single : A 441 THR OG1 : rot 84:sc= 0.694 USER MOD Single : A 442 GLN :FLIP amide:sc= -0.296 F(o=-2,f=-0.3) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -126:sc= -0.395 (180deg=-2.8!) USER MOD Single : A 447 MET CE :methyl -175:sc= -0.985 (180deg=-1.15) USER MOD Single : A 448 SER OG : rot -6:sc= 0.114 USER MOD Single : A 449 LYS NZ :NH3+ -107:sc= 0.289 (180deg=-1.46!) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 453 THR OG1 : rot 149:sc= -0.999 USER MOD Single : A 454 SER OG : rot -82:sc= 0.868 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.901 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 462 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 467 SER OG : rot 16:sc= 0.934 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.967 21.051 18.026 1.00 32.52 N ATOM 21 CA THR A 2 -2.656 20.358 16.928 1.00 73.43 C ATOM 22 C THR A 2 -1.703 19.673 15.932 1.00 23.34 C ATOM 23 O THR A 2 -1.902 18.505 15.631 1.00 74.45 O ATOM 24 CB THR A 2 -3.621 21.327 16.176 1.00 12.54 C ATOM 25 OG1 THR A 2 -2.938 22.554 15.886 1.00 45.34 O ATOM 26 CG2 THR A 2 -4.885 21.634 16.998 1.00 33.22 C ATOM 0 HA THR A 2 -3.234 19.562 17.398 1.00 73.43 H new ATOM 0 HB THR A 2 -3.931 20.835 15.254 1.00 12.54 H new ATOM 0 HG1 THR A 2 -2.274 22.732 16.585 1.00 45.34 H new ATOM 0 HG21 THR A 2 -5.528 22.312 16.437 1.00 33.22 H new ATOM 0 HG22 THR A 2 -5.422 20.707 17.199 1.00 33.22 H new ATOM 0 HG23 THR A 2 -4.601 22.101 17.941 1.00 33.22 H new ATOM 34 N SER A 3 -0.675 20.390 15.452 1.00 20.14 N ATOM 35 CA SER A 3 0.282 19.855 14.451 1.00 62.14 C ATOM 36 C SER A 3 1.003 18.584 14.963 1.00 0.45 C ATOM 37 O SER A 3 1.141 17.580 14.244 1.00 3.02 O ATOM 38 CB SER A 3 1.311 20.942 14.083 1.00 52.03 C ATOM 39 OG SER A 3 0.680 22.083 13.531 1.00 54.32 O ATOM 0 H SER A 3 -0.478 21.349 15.739 1.00 20.14 H new ATOM 0 HA SER A 3 -0.284 19.572 13.564 1.00 62.14 H new ATOM 0 HB2 SER A 3 1.873 21.229 14.972 1.00 52.03 H new ATOM 0 HB3 SER A 3 2.029 20.539 13.368 1.00 52.03 H new ATOM 0 HG SER A 3 1.357 22.756 13.309 1.00 54.32 H new ATOM 45 N THR A 4 1.433 18.641 16.224 1.00 45.14 N ATOM 46 CA THR A 4 2.184 17.556 16.863 1.00 74.14 C ATOM 47 C THR A 4 1.262 16.373 17.245 1.00 4.24 C ATOM 48 O THR A 4 1.673 15.218 17.144 1.00 10.33 O ATOM 49 CB THR A 4 2.947 18.092 18.109 1.00 4.14 C ATOM 50 OG1 THR A 4 3.801 19.188 17.718 1.00 14.04 O ATOM 51 CG2 THR A 4 3.796 17.006 18.788 1.00 4.02 C ATOM 0 H THR A 4 1.271 19.442 16.834 1.00 45.14 H new ATOM 0 HA THR A 4 2.911 17.179 16.143 1.00 74.14 H new ATOM 0 HB THR A 4 2.200 18.426 18.829 1.00 4.14 H new ATOM 0 HG1 THR A 4 4.722 18.999 17.993 1.00 14.04 H new ATOM 0 HG21 THR A 4 4.308 17.431 19.651 1.00 4.02 H new ATOM 0 HG22 THR A 4 3.151 16.190 19.114 1.00 4.02 H new ATOM 0 HG23 THR A 4 4.533 16.625 18.081 1.00 4.02 H new ATOM 59 N VAL A 5 0.008 16.654 17.664 1.00 43.31 N ATOM 60 CA VAL A 5 -0.928 15.591 18.086 1.00 33.01 C ATOM 61 C VAL A 5 -1.472 14.824 16.859 1.00 15.22 C ATOM 62 O VAL A 5 -1.565 13.613 16.899 1.00 41.14 O ATOM 63 CB VAL A 5 -2.098 16.115 19.016 1.00 50.51 C ATOM 64 CG1 VAL A 5 -3.140 16.948 18.245 1.00 32.33 C ATOM 65 CG2 VAL A 5 -2.762 14.954 19.802 1.00 60.13 C ATOM 0 H VAL A 5 -0.375 17.598 17.718 1.00 43.31 H new ATOM 0 HA VAL A 5 -0.356 14.898 18.702 1.00 33.01 H new ATOM 0 HB VAL A 5 -1.641 16.788 19.742 1.00 50.51 H new ATOM 0 HG11 VAL A 5 -3.919 17.281 18.931 1.00 32.33 H new ATOM 0 HG12 VAL A 5 -2.654 17.815 17.798 1.00 32.33 H new ATOM 0 HG13 VAL A 5 -3.585 16.337 17.460 1.00 32.33 H new ATOM 0 HG21 VAL A 5 -3.560 15.350 20.430 1.00 60.13 H new ATOM 0 HG22 VAL A 5 -3.177 14.230 19.101 1.00 60.13 H new ATOM 0 HG23 VAL A 5 -2.016 14.465 20.429 1.00 60.13 H new ATOM 75 N GLU A 6 -1.777 15.539 15.754 1.00 22.03 N ATOM 76 CA GLU A 6 -2.250 14.910 14.496 1.00 34.11 C ATOM 77 C GLU A 6 -1.136 14.038 13.896 1.00 10.31 C ATOM 78 O GLU A 6 -1.387 12.970 13.333 1.00 1.02 O ATOM 79 CB GLU A 6 -2.720 15.990 13.480 1.00 73.12 C ATOM 80 CG GLU A 6 -1.604 16.911 12.949 1.00 14.14 C ATOM 81 CD GLU A 6 -2.073 17.930 11.915 1.00 11.00 C ATOM 82 OE1 GLU A 6 -2.601 19.002 12.294 1.00 43.03 O ATOM 83 OE2 GLU A 6 -1.918 17.662 10.709 1.00 23.23 O ATOM 0 H GLU A 6 -1.705 16.555 15.706 1.00 22.03 H new ATOM 0 HA GLU A 6 -3.106 14.274 14.722 1.00 34.11 H new ATOM 0 HB2 GLU A 6 -3.192 15.491 12.634 1.00 73.12 H new ATOM 0 HB3 GLU A 6 -3.484 16.606 13.954 1.00 73.12 H new ATOM 0 HG2 GLU A 6 -1.156 17.442 13.789 1.00 14.14 H new ATOM 0 HG3 GLU A 6 -0.820 16.296 12.507 1.00 14.14 H new ATOM 90 N PHE A 7 0.102 14.528 14.041 1.00 34.31 N ATOM 91 CA PHE A 7 1.321 13.789 13.715 1.00 11.24 C ATOM 92 C PHE A 7 1.346 12.416 14.448 1.00 15.12 C ATOM 93 O PHE A 7 1.301 11.373 13.797 1.00 1.21 O ATOM 94 CB PHE A 7 2.518 14.704 14.091 1.00 34.15 C ATOM 95 CG PHE A 7 3.911 14.101 13.975 1.00 12.31 C ATOM 96 CD1 PHE A 7 4.596 14.096 12.766 1.00 42.20 C ATOM 97 CD2 PHE A 7 4.548 13.565 15.094 1.00 15.03 C ATOM 98 CE1 PHE A 7 5.869 13.571 12.683 1.00 65.50 C ATOM 99 CE2 PHE A 7 5.816 13.041 15.000 1.00 31.54 C ATOM 100 CZ PHE A 7 6.476 13.048 13.797 1.00 63.44 C ATOM 0 H PHE A 7 0.284 15.467 14.395 1.00 34.31 H new ATOM 0 HA PHE A 7 1.374 13.548 12.653 1.00 11.24 H new ATOM 0 HB2 PHE A 7 2.479 15.591 13.458 1.00 34.15 H new ATOM 0 HB3 PHE A 7 2.378 15.039 15.119 1.00 34.15 H new ATOM 0 HD1 PHE A 7 4.128 14.507 11.884 1.00 42.20 H new ATOM 0 HD2 PHE A 7 4.039 13.561 16.047 1.00 15.03 H new ATOM 0 HE1 PHE A 7 6.390 13.572 11.737 1.00 65.50 H new ATOM 0 HE2 PHE A 7 6.293 12.623 15.874 1.00 31.54 H new ATOM 0 HZ PHE A 7 7.474 12.642 13.727 1.00 63.44 H new ATOM 110 N ILE A 8 1.336 12.450 15.795 1.00 32.43 N ATOM 111 CA ILE A 8 1.408 11.241 16.664 1.00 21.11 C ATOM 112 C ILE A 8 0.256 10.254 16.376 1.00 72.50 C ATOM 113 O ILE A 8 0.487 9.074 16.083 1.00 72.32 O ATOM 114 CB ILE A 8 1.368 11.668 18.186 1.00 41.21 C ATOM 115 CG1 ILE A 8 2.596 12.562 18.540 1.00 41.50 C ATOM 116 CG2 ILE A 8 1.283 10.444 19.135 1.00 5.14 C ATOM 117 CD1 ILE A 8 2.537 13.224 19.910 1.00 21.23 C ATOM 0 H ILE A 8 1.277 13.321 16.323 1.00 32.43 H new ATOM 0 HA ILE A 8 2.347 10.735 16.443 1.00 21.11 H new ATOM 0 HB ILE A 8 0.459 12.251 18.334 1.00 41.21 H new ATOM 0 HG12 ILE A 8 3.498 11.952 18.487 1.00 41.50 H new ATOM 0 HG13 ILE A 8 2.691 13.339 17.782 1.00 41.50 H new ATOM 0 HG21 ILE A 8 1.258 10.787 20.169 1.00 5.14 H new ATOM 0 HG22 ILE A 8 0.377 9.878 18.918 1.00 5.14 H new ATOM 0 HG23 ILE A 8 2.154 9.806 18.985 1.00 5.14 H new ATOM 0 HD11 ILE A 8 3.434 13.824 20.063 1.00 21.23 H new ATOM 0 HD12 ILE A 8 1.658 13.866 19.966 1.00 21.23 H new ATOM 0 HD13 ILE A 8 2.477 12.457 20.682 1.00 21.23 H new ATOM 129 N ASN A 9 -0.971 10.780 16.476 1.00 71.22 N ATOM 130 CA ASN A 9 -2.227 10.013 16.313 1.00 35.21 C ATOM 131 C ASN A 9 -2.271 9.240 14.992 1.00 24.43 C ATOM 132 O ASN A 9 -2.595 8.043 14.975 1.00 3.23 O ATOM 133 CB ASN A 9 -3.457 10.970 16.392 1.00 71.04 C ATOM 134 CG ASN A 9 -3.700 11.570 17.788 1.00 31.40 C ATOM 135 OD1 ASN A 9 -2.784 11.684 18.610 1.00 0.13 O ATOM 136 ND2 ASN A 9 -4.932 11.983 18.068 1.00 44.31 N ATOM 0 H ASN A 9 -1.129 11.768 16.676 1.00 71.22 H new ATOM 0 HA ASN A 9 -2.263 9.288 17.126 1.00 35.21 H new ATOM 0 HB2 ASN A 9 -3.318 11.782 15.679 1.00 71.04 H new ATOM 0 HB3 ASN A 9 -4.348 10.424 16.083 1.00 71.04 H new ATOM 0 HD21 ASN A 9 -5.135 12.403 18.975 1.00 44.31 H new ATOM 0 HD22 ASN A 9 -5.674 11.880 17.376 1.00 44.31 H new ATOM 143 N ARG A 10 -1.944 9.929 13.889 1.00 14.10 N ATOM 144 CA ARG A 10 -2.065 9.350 12.545 1.00 55.42 C ATOM 145 C ARG A 10 -0.877 8.446 12.206 1.00 63.31 C ATOM 146 O ARG A 10 -1.049 7.544 11.407 1.00 34.32 O ATOM 147 CB ARG A 10 -2.261 10.445 11.481 1.00 54.42 C ATOM 148 CG ARG A 10 -3.509 11.338 11.717 1.00 63.14 C ATOM 149 CD ARG A 10 -3.672 12.428 10.649 1.00 62.24 C ATOM 150 NE ARG A 10 -2.414 13.169 10.413 1.00 55.01 N ATOM 151 CZ ARG A 10 -2.314 14.472 10.141 1.00 72.52 C ATOM 152 NH1 ARG A 10 -3.387 15.251 10.068 1.00 4.11 N ATOM 153 NH2 ARG A 10 -1.125 15.000 9.942 1.00 10.41 N ATOM 0 H ARG A 10 -1.594 10.887 13.902 1.00 14.10 H new ATOM 0 HA ARG A 10 -2.956 8.722 12.542 1.00 55.42 H new ATOM 0 HB2 ARG A 10 -1.374 11.077 11.457 1.00 54.42 H new ATOM 0 HB3 ARG A 10 -2.343 9.975 10.501 1.00 54.42 H new ATOM 0 HG2 ARG A 10 -4.401 10.712 11.729 1.00 63.14 H new ATOM 0 HG3 ARG A 10 -3.435 11.806 12.699 1.00 63.14 H new ATOM 0 HD2 ARG A 10 -4.005 11.974 9.716 1.00 62.24 H new ATOM 0 HD3 ARG A 10 -4.450 13.125 10.959 1.00 62.24 H new ATOM 0 HE ARG A 10 -1.545 12.637 10.463 1.00 55.01 H new ATOM 0 HH11 ARG A 10 -4.315 14.856 10.221 1.00 4.11 H new ATOM 0 HH12 ARG A 10 -3.283 16.244 9.859 1.00 4.11 H new ATOM 0 HH21 ARG A 10 -0.291 14.415 9.996 1.00 10.41 H new ATOM 0 HH22 ARG A 10 -1.037 15.995 9.733 1.00 10.41 H new ATOM 167 N TRP A 11 0.313 8.665 12.814 1.00 41.43 N ATOM 168 CA TRP A 11 1.444 7.708 12.667 1.00 42.25 C ATOM 169 C TRP A 11 1.101 6.372 13.345 1.00 42.44 C ATOM 170 O TRP A 11 1.442 5.298 12.825 1.00 1.22 O ATOM 171 CB TRP A 11 2.783 8.264 13.222 1.00 32.23 C ATOM 172 CG TRP A 11 3.529 9.174 12.273 1.00 34.24 C ATOM 173 CD1 TRP A 11 3.811 10.498 12.444 1.00 33.34 C ATOM 174 CD2 TRP A 11 4.100 8.814 11.002 1.00 1.42 C ATOM 175 NE1 TRP A 11 4.499 10.978 11.369 1.00 15.43 N ATOM 176 CE2 TRP A 11 4.695 9.974 10.477 1.00 21.02 C ATOM 177 CE3 TRP A 11 4.175 7.629 10.265 1.00 10.03 C ATOM 178 CZ2 TRP A 11 5.344 9.992 9.252 1.00 21.24 C ATOM 179 CZ3 TRP A 11 4.811 7.649 9.039 1.00 55.32 C ATOM 180 CH2 TRP A 11 5.396 8.825 8.549 1.00 21.21 C ATOM 0 H TRP A 11 0.516 9.476 13.399 1.00 41.43 H new ATOM 0 HA TRP A 11 1.587 7.551 11.598 1.00 42.25 H new ATOM 0 HB2 TRP A 11 2.580 8.810 14.144 1.00 32.23 H new ATOM 0 HB3 TRP A 11 3.429 7.426 13.483 1.00 32.23 H new ATOM 0 HD1 TRP A 11 3.529 11.082 13.308 1.00 33.34 H new ATOM 0 HE1 TRP A 11 4.816 11.940 11.253 1.00 15.43 H new ATOM 0 HE3 TRP A 11 3.744 6.715 10.647 1.00 10.03 H new ATOM 0 HZ2 TRP A 11 5.792 10.897 8.869 1.00 21.24 H new ATOM 0 HZ3 TRP A 11 4.858 6.745 8.449 1.00 55.32 H new ATOM 0 HH2 TRP A 11 5.899 8.806 7.593 1.00 21.21 H new ATOM 191 N GLN A 12 0.431 6.459 14.510 1.00 62.50 N ATOM 192 CA GLN A 12 -0.131 5.283 15.190 1.00 54.40 C ATOM 193 C GLN A 12 -1.107 4.551 14.253 1.00 54.53 C ATOM 194 O GLN A 12 -1.048 3.325 14.115 1.00 54.10 O ATOM 195 CB GLN A 12 -0.861 5.693 16.497 1.00 1.31 C ATOM 196 CG GLN A 12 -1.406 4.497 17.314 1.00 11.22 C ATOM 197 CD GLN A 12 -2.412 4.887 18.399 1.00 53.33 C ATOM 198 OE1 GLN A 12 -3.155 5.852 18.255 1.00 31.52 O ATOM 199 NE2 GLN A 12 -2.451 4.131 19.482 1.00 24.33 N ATOM 0 H GLN A 12 0.267 7.338 15.000 1.00 62.50 H new ATOM 0 HA GLN A 12 0.690 4.615 15.451 1.00 54.40 H new ATOM 0 HB2 GLN A 12 -0.174 6.264 17.122 1.00 1.31 H new ATOM 0 HB3 GLN A 12 -1.689 6.356 16.246 1.00 1.31 H new ATOM 0 HG2 GLN A 12 -1.879 3.791 16.632 1.00 11.22 H new ATOM 0 HG3 GLN A 12 -0.569 3.978 17.780 1.00 11.22 H new ATOM 0 HE21 GLN A 12 -1.819 3.335 19.571 1.00 24.33 H new ATOM 0 HE22 GLN A 12 -3.113 4.343 20.229 1.00 24.33 H new ATOM 208 N ARG A 13 -1.989 5.338 13.600 1.00 74.42 N ATOM 209 CA ARG A 13 -2.951 4.812 12.617 1.00 55.15 C ATOM 210 C ARG A 13 -2.224 4.103 11.458 1.00 14.35 C ATOM 211 O ARG A 13 -2.600 3.006 11.100 1.00 0.43 O ATOM 212 CB ARG A 13 -3.869 5.938 12.059 1.00 70.02 C ATOM 213 CG ARG A 13 -4.822 6.589 13.081 1.00 21.11 C ATOM 214 CD ARG A 13 -5.773 5.576 13.730 1.00 53.22 C ATOM 215 NE ARG A 13 -6.801 6.226 14.562 1.00 32.22 N ATOM 216 CZ ARG A 13 -6.714 6.463 15.879 1.00 64.31 C ATOM 217 NH1 ARG A 13 -5.629 6.116 16.575 1.00 51.14 N ATOM 218 NH2 ARG A 13 -7.725 7.045 16.501 1.00 43.44 N ATOM 0 H ARG A 13 -2.052 6.346 13.740 1.00 74.42 H new ATOM 0 HA ARG A 13 -3.577 4.086 13.135 1.00 55.15 H new ATOM 0 HB2 ARG A 13 -3.238 6.717 11.630 1.00 70.02 H new ATOM 0 HB3 ARG A 13 -4.465 5.526 11.245 1.00 70.02 H new ATOM 0 HG2 ARG A 13 -4.235 7.080 13.857 1.00 21.11 H new ATOM 0 HG3 ARG A 13 -5.406 7.364 12.585 1.00 21.11 H new ATOM 0 HD2 ARG A 13 -6.258 4.987 12.952 1.00 53.22 H new ATOM 0 HD3 ARG A 13 -5.198 4.882 14.343 1.00 53.22 H new ATOM 0 HE ARG A 13 -7.657 6.523 14.093 1.00 32.22 H new ATOM 0 HH11 ARG A 13 -4.846 5.661 16.106 1.00 51.14 H new ATOM 0 HH12 ARG A 13 -5.583 6.305 17.576 1.00 51.14 H new ATOM 0 HH21 ARG A 13 -8.561 7.309 15.979 1.00 43.44 H new ATOM 0 HH22 ARG A 13 -7.669 7.230 17.503 1.00 43.44 H new ATOM 232 N ILE A 14 -1.164 4.729 10.925 1.00 44.32 N ATOM 233 CA ILE A 14 -0.393 4.207 9.774 1.00 64.32 C ATOM 234 C ILE A 14 0.162 2.790 10.081 1.00 15.44 C ATOM 235 O ILE A 14 0.029 1.883 9.261 1.00 4.51 O ATOM 236 CB ILE A 14 0.758 5.233 9.382 1.00 42.03 C ATOM 237 CG1 ILE A 14 0.150 6.549 8.799 1.00 33.43 C ATOM 238 CG2 ILE A 14 1.767 4.640 8.382 1.00 1.41 C ATOM 239 CD1 ILE A 14 1.132 7.691 8.590 1.00 44.05 C ATOM 0 H ILE A 14 -0.811 5.618 11.279 1.00 44.32 H new ATOM 0 HA ILE A 14 -1.054 4.107 8.913 1.00 64.32 H new ATOM 0 HB ILE A 14 1.299 5.456 10.301 1.00 42.03 H new ATOM 0 HG12 ILE A 14 -0.320 6.318 7.843 1.00 33.43 H new ATOM 0 HG13 ILE A 14 -0.640 6.891 9.468 1.00 33.43 H new ATOM 0 HG21 ILE A 14 2.530 5.384 8.150 1.00 1.41 H new ATOM 0 HG22 ILE A 14 2.239 3.760 8.820 1.00 1.41 H new ATOM 0 HG23 ILE A 14 1.248 4.355 7.467 1.00 1.41 H new ATOM 0 HD11 ILE A 14 0.605 8.554 8.183 1.00 44.05 H new ATOM 0 HD12 ILE A 14 1.586 7.960 9.544 1.00 44.05 H new ATOM 0 HD13 ILE A 14 1.910 7.379 7.893 1.00 44.05 H new ATOM 251 N ALA A 15 0.712 2.606 11.295 1.00 20.24 N ATOM 252 CA ALA A 15 1.257 1.296 11.737 1.00 73.11 C ATOM 253 C ALA A 15 0.151 0.234 11.947 1.00 64.31 C ATOM 254 O ALA A 15 0.312 -0.932 11.559 1.00 31.32 O ATOM 255 CB ALA A 15 2.071 1.469 13.022 1.00 1.45 C ATOM 0 H ALA A 15 0.794 3.345 11.993 1.00 20.24 H new ATOM 0 HA ALA A 15 1.904 0.933 10.939 1.00 73.11 H new ATOM 0 HB1 ALA A 15 2.465 0.502 13.336 1.00 1.45 H new ATOM 0 HB2 ALA A 15 2.897 2.156 12.839 1.00 1.45 H new ATOM 0 HB3 ALA A 15 1.431 1.872 13.807 1.00 1.45 H new ATOM 261 N LEU A 16 -0.959 0.654 12.581 1.00 13.45 N ATOM 262 CA LEU A 16 -2.106 -0.237 12.875 1.00 55.02 C ATOM 263 C LEU A 16 -2.782 -0.729 11.578 1.00 74.43 C ATOM 264 O LEU A 16 -3.048 -1.924 11.421 1.00 64.41 O ATOM 265 CB LEU A 16 -3.148 0.495 13.776 1.00 14.31 C ATOM 266 CG LEU A 16 -2.697 0.841 15.235 1.00 24.23 C ATOM 267 CD1 LEU A 16 -3.795 1.643 15.993 1.00 53.02 C ATOM 268 CD2 LEU A 16 -2.281 -0.439 16.005 1.00 65.50 C ATOM 0 H LEU A 16 -1.090 1.613 12.904 1.00 13.45 H new ATOM 0 HA LEU A 16 -1.722 -1.106 13.409 1.00 55.02 H new ATOM 0 HB2 LEU A 16 -3.435 1.422 13.280 1.00 14.31 H new ATOM 0 HB3 LEU A 16 -4.042 -0.125 13.835 1.00 14.31 H new ATOM 0 HG LEU A 16 -1.819 1.484 15.172 1.00 24.23 H new ATOM 0 HD11 LEU A 16 -3.450 1.867 17.002 1.00 53.02 H new ATOM 0 HD12 LEU A 16 -3.996 2.574 15.463 1.00 53.02 H new ATOM 0 HD13 LEU A 16 -4.708 1.050 16.045 1.00 53.02 H new ATOM 0 HD21 LEU A 16 -1.972 -0.171 17.015 1.00 65.50 H new ATOM 0 HD22 LEU A 16 -3.126 -1.125 16.054 1.00 65.50 H new ATOM 0 HD23 LEU A 16 -1.452 -0.921 15.488 1.00 65.50 H new ATOM 280 N LEU A 17 -3.016 0.217 10.657 1.00 3.44 N ATOM 281 CA LEU A 17 -3.742 -0.021 9.403 1.00 52.34 C ATOM 282 C LEU A 17 -2.916 -0.927 8.486 1.00 73.12 C ATOM 283 O LEU A 17 -3.448 -1.897 7.963 1.00 73.34 O ATOM 284 CB LEU A 17 -4.083 1.329 8.704 1.00 22.35 C ATOM 285 CG LEU A 17 -5.086 2.259 9.470 1.00 50.15 C ATOM 286 CD1 LEU A 17 -5.171 3.662 8.816 1.00 50.24 C ATOM 287 CD2 LEU A 17 -6.476 1.595 9.592 1.00 75.20 C ATOM 0 H LEU A 17 -2.702 1.181 10.764 1.00 3.44 H new ATOM 0 HA LEU A 17 -4.682 -0.525 9.626 1.00 52.34 H new ATOM 0 HB2 LEU A 17 -3.155 1.879 8.546 1.00 22.35 H new ATOM 0 HB3 LEU A 17 -4.497 1.112 7.719 1.00 22.35 H new ATOM 0 HG LEU A 17 -4.704 2.402 10.481 1.00 50.15 H new ATOM 0 HD11 LEU A 17 -5.875 4.281 9.372 1.00 50.24 H new ATOM 0 HD12 LEU A 17 -4.187 4.130 8.830 1.00 50.24 H new ATOM 0 HD13 LEU A 17 -5.511 3.563 7.785 1.00 50.24 H new ATOM 0 HD21 LEU A 17 -7.152 2.262 10.127 1.00 75.20 H new ATOM 0 HD22 LEU A 17 -6.874 1.398 8.596 1.00 75.20 H new ATOM 0 HD23 LEU A 17 -6.384 0.656 10.138 1.00 75.20 H new ATOM 299 N SER A 18 -1.608 -0.623 8.347 1.00 70.32 N ATOM 300 CA SER A 18 -0.680 -1.406 7.499 1.00 30.13 C ATOM 301 C SER A 18 -0.624 -2.869 7.947 1.00 52.34 C ATOM 302 O SER A 18 -0.705 -3.774 7.123 1.00 72.14 O ATOM 303 CB SER A 18 0.740 -0.813 7.534 1.00 71.24 C ATOM 304 OG SER A 18 1.212 -0.687 8.863 1.00 23.54 O ATOM 0 H SER A 18 -1.166 0.168 8.816 1.00 70.32 H new ATOM 0 HA SER A 18 -1.062 -1.358 6.479 1.00 30.13 H new ATOM 0 HB2 SER A 18 1.417 -1.450 6.964 1.00 71.24 H new ATOM 0 HB3 SER A 18 0.740 0.164 7.051 1.00 71.24 H new ATOM 0 HG SER A 18 0.863 0.140 9.257 1.00 23.54 H new ATOM 310 N GLN A 19 -0.469 -3.057 9.266 1.00 23.12 N ATOM 311 CA GLN A 19 -0.435 -4.378 9.918 1.00 12.23 C ATOM 312 C GLN A 19 -1.713 -5.189 9.632 1.00 74.23 C ATOM 313 O GLN A 19 -1.642 -6.370 9.251 1.00 74.40 O ATOM 314 CB GLN A 19 -0.236 -4.172 11.436 1.00 11.34 C ATOM 315 CG GLN A 19 -0.267 -5.448 12.295 1.00 33.32 C ATOM 316 CD GLN A 19 -0.109 -5.190 13.797 1.00 64.31 C ATOM 317 OE1 GLN A 19 -0.583 -4.044 14.286 1.00 33.11 O flip ATOM 318 NE2 GLN A 19 0.422 -6.024 14.524 1.00 24.11 N flip ATOM 0 H GLN A 19 -0.362 -2.283 9.922 1.00 23.12 H new ATOM 0 HA GLN A 19 0.395 -4.955 9.511 1.00 12.23 H new ATOM 0 HB2 GLN A 19 0.721 -3.674 11.594 1.00 11.34 H new ATOM 0 HB3 GLN A 19 -1.011 -3.495 11.796 1.00 11.34 H new ATOM 0 HG2 GLN A 19 -1.210 -5.967 12.123 1.00 33.32 H new ATOM 0 HG3 GLN A 19 0.529 -6.115 11.965 1.00 33.32 H new ATOM 0 HE21 GLN A 19 0.777 -6.894 14.127 1.00 24.11 H new ATOM 0 HE22 GLN A 19 0.508 -5.847 15.525 1.00 24.11 H new ATOM 327 N SER A 20 -2.872 -4.519 9.786 1.00 10.13 N ATOM 328 CA SER A 20 -4.188 -5.138 9.566 1.00 23.42 C ATOM 329 C SER A 20 -4.320 -5.617 8.102 1.00 72.45 C ATOM 330 O SER A 20 -4.439 -6.814 7.856 1.00 33.41 O ATOM 331 CB SER A 20 -5.328 -4.145 9.907 1.00 21.13 C ATOM 332 OG SER A 20 -5.311 -3.760 11.277 1.00 14.05 O ATOM 0 H SER A 20 -2.919 -3.539 10.065 1.00 10.13 H new ATOM 0 HA SER A 20 -4.273 -6.000 10.228 1.00 23.42 H new ATOM 0 HB2 SER A 20 -5.235 -3.258 9.280 1.00 21.13 H new ATOM 0 HB3 SER A 20 -6.289 -4.602 9.671 1.00 21.13 H new ATOM 0 HG SER A 20 -4.573 -3.134 11.432 1.00 14.05 H new ATOM 338 N LEU A 21 -4.209 -4.668 7.139 1.00 71.33 N ATOM 339 CA LEU A 21 -4.407 -4.947 5.693 1.00 65.02 C ATOM 340 C LEU A 21 -3.320 -5.877 5.136 1.00 45.21 C ATOM 341 O LEU A 21 -3.542 -6.539 4.123 1.00 13.10 O ATOM 342 CB LEU A 21 -4.536 -3.621 4.875 1.00 44.54 C ATOM 343 CG LEU A 21 -3.362 -2.584 4.957 1.00 41.14 C ATOM 344 CD1 LEU A 21 -2.133 -2.977 4.129 1.00 43.12 C ATOM 345 CD2 LEU A 21 -3.841 -1.175 4.577 1.00 72.11 C ATOM 0 H LEU A 21 -3.981 -3.694 7.340 1.00 71.33 H new ATOM 0 HA LEU A 21 -5.351 -5.482 5.585 1.00 65.02 H new ATOM 0 HB2 LEU A 21 -4.672 -3.888 3.827 1.00 44.54 H new ATOM 0 HB3 LEU A 21 -5.448 -3.118 5.197 1.00 44.54 H new ATOM 0 HG LEU A 21 -3.041 -2.584 5.999 1.00 41.14 H new ATOM 0 HD11 LEU A 21 -1.363 -2.213 4.235 1.00 43.12 H new ATOM 0 HD12 LEU A 21 -1.746 -3.933 4.483 1.00 43.12 H new ATOM 0 HD13 LEU A 21 -2.414 -3.065 3.080 1.00 43.12 H new ATOM 0 HD21 LEU A 21 -3.006 -0.477 4.643 1.00 72.11 H new ATOM 0 HD22 LEU A 21 -4.227 -1.184 3.558 1.00 72.11 H new ATOM 0 HD23 LEU A 21 -4.630 -0.862 5.261 1.00 72.11 H new ATOM 357 N LEU A 22 -2.149 -5.911 5.809 1.00 51.25 N ATOM 358 CA LEU A 22 -1.063 -6.846 5.476 1.00 10.53 C ATOM 359 C LEU A 22 -1.551 -8.275 5.672 1.00 45.41 C ATOM 360 O LEU A 22 -1.503 -9.084 4.749 1.00 10.03 O ATOM 361 CB LEU A 22 0.198 -6.615 6.357 1.00 40.14 C ATOM 362 CG LEU A 22 1.336 -7.666 6.183 1.00 65.32 C ATOM 363 CD1 LEU A 22 1.965 -7.606 4.775 1.00 13.44 C ATOM 364 CD2 LEU A 22 2.385 -7.535 7.301 1.00 70.53 C ATOM 0 H LEU A 22 -1.935 -5.294 6.592 1.00 51.25 H new ATOM 0 HA LEU A 22 -0.783 -6.672 4.437 1.00 10.53 H new ATOM 0 HB2 LEU A 22 0.601 -5.627 6.133 1.00 40.14 H new ATOM 0 HB3 LEU A 22 -0.107 -6.605 7.403 1.00 40.14 H new ATOM 0 HG LEU A 22 0.890 -8.656 6.275 1.00 65.32 H new ATOM 0 HD11 LEU A 22 2.753 -8.355 4.696 1.00 13.44 H new ATOM 0 HD12 LEU A 22 1.199 -7.806 4.026 1.00 13.44 H new ATOM 0 HD13 LEU A 22 2.387 -6.615 4.607 1.00 13.44 H new ATOM 0 HD21 LEU A 22 3.167 -8.280 7.155 1.00 70.53 H new ATOM 0 HD22 LEU A 22 2.824 -6.538 7.273 1.00 70.53 H new ATOM 0 HD23 LEU A 22 1.908 -7.694 8.268 1.00 70.53 H new ATOM 376 N GLU A 23 -2.027 -8.549 6.896 1.00 1.13 N ATOM 377 CA GLU A 23 -2.519 -9.877 7.283 1.00 41.14 C ATOM 378 C GLU A 23 -3.730 -10.286 6.433 1.00 51.01 C ATOM 379 O GLU A 23 -3.858 -11.445 6.072 1.00 14.31 O ATOM 380 CB GLU A 23 -2.855 -9.897 8.798 1.00 73.30 C ATOM 381 CG GLU A 23 -1.620 -9.680 9.700 1.00 30.13 C ATOM 382 CD GLU A 23 -1.948 -9.582 11.199 1.00 61.52 C ATOM 383 OE1 GLU A 23 -2.315 -10.614 11.809 1.00 34.40 O ATOM 384 OE2 GLU A 23 -1.811 -8.488 11.788 1.00 62.53 O ATOM 0 H GLU A 23 -2.081 -7.857 7.643 1.00 1.13 H new ATOM 0 HA GLU A 23 -1.734 -10.610 7.097 1.00 41.14 H new ATOM 0 HB2 GLU A 23 -3.592 -9.122 9.010 1.00 73.30 H new ATOM 0 HB3 GLU A 23 -3.316 -10.852 9.048 1.00 73.30 H new ATOM 0 HG2 GLU A 23 -0.921 -10.502 9.545 1.00 30.13 H new ATOM 0 HG3 GLU A 23 -1.112 -8.767 9.389 1.00 30.13 H new ATOM 391 N LEU A 24 -4.576 -9.303 6.078 1.00 44.33 N ATOM 392 CA LEU A 24 -5.763 -9.517 5.223 1.00 73.35 C ATOM 393 C LEU A 24 -5.335 -9.931 3.792 1.00 53.45 C ATOM 394 O LEU A 24 -5.844 -10.908 3.244 1.00 22.41 O ATOM 395 CB LEU A 24 -6.632 -8.222 5.213 1.00 14.04 C ATOM 396 CG LEU A 24 -7.148 -7.747 6.619 1.00 61.33 C ATOM 397 CD1 LEU A 24 -7.812 -6.342 6.553 1.00 12.33 C ATOM 398 CD2 LEU A 24 -8.086 -8.800 7.248 1.00 23.14 C ATOM 0 H LEU A 24 -4.458 -8.334 6.375 1.00 44.33 H new ATOM 0 HA LEU A 24 -6.364 -10.332 5.627 1.00 73.35 H new ATOM 0 HB2 LEU A 24 -6.048 -7.416 4.768 1.00 14.04 H new ATOM 0 HB3 LEU A 24 -7.493 -8.387 4.565 1.00 14.04 H new ATOM 0 HG LEU A 24 -6.280 -7.647 7.271 1.00 61.33 H new ATOM 0 HD11 LEU A 24 -8.154 -6.054 7.547 1.00 12.33 H new ATOM 0 HD12 LEU A 24 -7.086 -5.613 6.194 1.00 12.33 H new ATOM 0 HD13 LEU A 24 -8.662 -6.373 5.872 1.00 12.33 H new ATOM 0 HD21 LEU A 24 -8.429 -8.447 8.220 1.00 23.14 H new ATOM 0 HD22 LEU A 24 -8.945 -8.958 6.596 1.00 23.14 H new ATOM 0 HD23 LEU A 24 -7.547 -9.739 7.373 1.00 23.14 H new ATOM 410 N ALA A 25 -4.354 -9.208 3.229 1.00 64.52 N ATOM 411 CA ALA A 25 -3.792 -9.479 1.884 1.00 11.23 C ATOM 412 C ALA A 25 -3.022 -10.813 1.840 1.00 1.51 C ATOM 413 O ALA A 25 -3.038 -11.531 0.836 1.00 20.34 O ATOM 414 CB ALA A 25 -2.863 -8.332 1.461 1.00 62.04 C ATOM 0 H ALA A 25 -3.921 -8.410 3.694 1.00 64.52 H new ATOM 0 HA ALA A 25 -4.628 -9.553 1.189 1.00 11.23 H new ATOM 0 HB1 ALA A 25 -2.455 -8.540 0.472 1.00 62.04 H new ATOM 0 HB2 ALA A 25 -3.426 -7.399 1.432 1.00 62.04 H new ATOM 0 HB3 ALA A 25 -2.047 -8.241 2.178 1.00 62.04 H new ATOM 420 N GLN A 26 -2.363 -11.122 2.960 1.00 11.34 N ATOM 421 CA GLN A 26 -1.531 -12.322 3.132 1.00 52.00 C ATOM 422 C GLN A 26 -2.416 -13.566 3.349 1.00 53.01 C ATOM 423 O GLN A 26 -2.010 -14.698 3.056 1.00 33.30 O ATOM 424 CB GLN A 26 -0.567 -12.072 4.316 1.00 30.41 C ATOM 425 CG GLN A 26 0.459 -13.184 4.600 1.00 3.43 C ATOM 426 CD GLN A 26 1.499 -12.766 5.642 1.00 33.15 C ATOM 427 OE1 GLN A 26 2.570 -12.252 5.306 1.00 75.23 O ATOM 428 NE2 GLN A 26 1.185 -12.967 6.915 1.00 44.02 N ATOM 0 H GLN A 26 -2.392 -10.533 3.793 1.00 11.34 H new ATOM 0 HA GLN A 26 -0.943 -12.516 2.235 1.00 52.00 H new ATOM 0 HB2 GLN A 26 -0.025 -11.145 4.128 1.00 30.41 H new ATOM 0 HB3 GLN A 26 -1.162 -11.916 5.216 1.00 30.41 H new ATOM 0 HG2 GLN A 26 -0.063 -14.075 4.949 1.00 3.43 H new ATOM 0 HG3 GLN A 26 0.965 -13.453 3.673 1.00 3.43 H new ATOM 0 HE21 GLN A 26 0.291 -13.394 7.159 1.00 44.02 H new ATOM 0 HE22 GLN A 26 1.837 -12.694 7.650 1.00 44.02 H new ATOM 437 N ARG A 27 -3.632 -13.331 3.865 1.00 44.15 N ATOM 438 CA ARG A 27 -4.698 -14.346 3.926 1.00 13.04 C ATOM 439 C ARG A 27 -5.368 -14.511 2.540 1.00 31.44 C ATOM 440 O ARG A 27 -5.918 -15.573 2.233 1.00 42.42 O ATOM 441 CB ARG A 27 -5.752 -13.945 4.989 1.00 11.55 C ATOM 442 CG ARG A 27 -5.315 -14.106 6.460 1.00 41.33 C ATOM 443 CD ARG A 27 -5.143 -15.575 6.872 1.00 40.11 C ATOM 444 NE ARG A 27 -6.410 -16.335 6.735 1.00 74.34 N ATOM 445 CZ ARG A 27 -6.935 -17.171 7.652 1.00 0.42 C ATOM 446 NH1 ARG A 27 -6.316 -17.385 8.815 1.00 61.02 N ATOM 447 NH2 ARG A 27 -8.090 -17.781 7.393 1.00 1.41 N ATOM 0 H ARG A 27 -3.906 -12.429 4.254 1.00 44.15 H new ATOM 0 HA ARG A 27 -4.256 -15.301 4.211 1.00 13.04 H new ATOM 0 HB2 ARG A 27 -6.030 -12.904 4.824 1.00 11.55 H new ATOM 0 HB3 ARG A 27 -6.649 -14.543 4.828 1.00 11.55 H new ATOM 0 HG2 ARG A 27 -4.374 -13.577 6.615 1.00 41.33 H new ATOM 0 HG3 ARG A 27 -6.055 -13.636 7.108 1.00 41.33 H new ATOM 0 HD2 ARG A 27 -4.372 -16.038 6.256 1.00 40.11 H new ATOM 0 HD3 ARG A 27 -4.798 -15.625 7.905 1.00 40.11 H new ATOM 0 HE ARG A 27 -6.931 -16.213 5.867 1.00 74.34 H new ATOM 0 HH11 ARG A 27 -5.435 -16.913 9.018 1.00 61.02 H new ATOM 0 HH12 ARG A 27 -6.724 -18.020 9.501 1.00 61.02 H new ATOM 0 HH21 ARG A 27 -8.568 -17.613 6.508 1.00 1.41 H new ATOM 0 HH22 ARG A 27 -8.497 -18.416 8.080 1.00 1.41 H new ATOM 461 N GLY A 28 -5.296 -13.443 1.719 1.00 62.02 N ATOM 462 CA GLY A 28 -5.881 -13.419 0.370 1.00 53.21 C ATOM 463 C GLY A 28 -7.191 -12.632 0.294 1.00 71.34 C ATOM 464 O GLY A 28 -7.802 -12.542 -0.780 1.00 71.41 O ATOM 0 H GLY A 28 -4.829 -12.574 1.977 1.00 62.02 H new ATOM 0 HA2 GLY A 28 -5.162 -12.982 -0.323 1.00 53.21 H new ATOM 0 HA3 GLY A 28 -6.060 -14.442 0.041 1.00 53.21 H new ATOM 468 N GLU A 29 -7.627 -12.057 1.437 1.00 21.24 N ATOM 469 CA GLU A 29 -8.774 -11.122 1.496 1.00 63.44 C ATOM 470 C GLU A 29 -8.367 -9.758 0.917 1.00 21.10 C ATOM 471 O GLU A 29 -7.966 -8.840 1.655 1.00 35.52 O ATOM 472 CB GLU A 29 -9.326 -10.975 2.952 1.00 74.14 C ATOM 473 CG GLU A 29 -10.246 -12.126 3.413 1.00 2.22 C ATOM 474 CD GLU A 29 -9.561 -13.493 3.464 1.00 61.53 C ATOM 475 OE1 GLU A 29 -9.680 -14.273 2.499 1.00 14.53 O ATOM 476 OE2 GLU A 29 -8.891 -13.783 4.466 1.00 53.42 O ATOM 0 H GLU A 29 -7.194 -12.228 2.345 1.00 21.24 H new ATOM 0 HA GLU A 29 -9.582 -11.534 0.891 1.00 63.44 H new ATOM 0 HB2 GLU A 29 -8.483 -10.904 3.640 1.00 74.14 H new ATOM 0 HB3 GLU A 29 -9.876 -10.037 3.024 1.00 74.14 H new ATOM 0 HG2 GLU A 29 -10.636 -11.890 4.403 1.00 2.22 H new ATOM 0 HG3 GLU A 29 -11.101 -12.185 2.739 1.00 2.22 H new ATOM 483 N TRP A 30 -8.437 -9.667 -0.418 1.00 4.22 N ATOM 484 CA TRP A 30 -8.153 -8.435 -1.156 1.00 14.20 C ATOM 485 C TRP A 30 -9.206 -7.374 -0.859 1.00 61.04 C ATOM 486 O TRP A 30 -8.886 -6.208 -0.771 1.00 5.15 O ATOM 487 CB TRP A 30 -8.086 -8.701 -2.679 1.00 32.50 C ATOM 488 CG TRP A 30 -7.171 -9.842 -3.069 1.00 52.31 C ATOM 489 CD1 TRP A 30 -7.498 -10.956 -3.792 1.00 45.43 C ATOM 490 CD2 TRP A 30 -5.784 -9.985 -2.731 1.00 61.43 C ATOM 491 NE1 TRP A 30 -6.408 -11.774 -3.918 1.00 10.13 N ATOM 492 CE2 TRP A 30 -5.347 -11.199 -3.279 1.00 20.15 C ATOM 493 CE3 TRP A 30 -4.872 -9.204 -2.023 1.00 42.30 C ATOM 494 CZ2 TRP A 30 -4.049 -11.649 -3.137 1.00 32.54 C ATOM 495 CZ3 TRP A 30 -3.581 -9.650 -1.886 1.00 73.43 C ATOM 496 CH2 TRP A 30 -3.177 -10.864 -2.439 1.00 23.44 C ATOM 0 H TRP A 30 -8.694 -10.452 -1.017 1.00 4.22 H new ATOM 0 HA TRP A 30 -7.181 -8.068 -0.827 1.00 14.20 H new ATOM 0 HB2 TRP A 30 -9.091 -8.915 -3.044 1.00 32.50 H new ATOM 0 HB3 TRP A 30 -7.751 -7.793 -3.181 1.00 32.50 H new ATOM 0 HD1 TRP A 30 -8.475 -11.161 -4.204 1.00 45.43 H new ATOM 0 HE1 TRP A 30 -6.391 -12.668 -4.409 1.00 10.13 H new ATOM 0 HE3 TRP A 30 -5.176 -8.263 -1.589 1.00 42.30 H new ATOM 0 HZ2 TRP A 30 -3.734 -12.590 -3.564 1.00 32.54 H new ATOM 0 HZ3 TRP A 30 -2.867 -9.051 -1.341 1.00 73.43 H new ATOM 0 HH2 TRP A 30 -2.155 -11.190 -2.313 1.00 23.44 H new ATOM 507 N ASP A 31 -10.455 -7.816 -0.688 1.00 23.31 N ATOM 508 CA ASP A 31 -11.588 -6.925 -0.385 1.00 1.31 C ATOM 509 C ASP A 31 -11.317 -6.102 0.892 1.00 23.45 C ATOM 510 O ASP A 31 -11.486 -4.874 0.913 1.00 62.32 O ATOM 511 CB ASP A 31 -12.882 -7.755 -0.214 1.00 21.41 C ATOM 512 CG ASP A 31 -13.234 -8.596 -1.456 1.00 23.24 C ATOM 513 OD1 ASP A 31 -13.208 -9.843 -1.379 1.00 54.41 O ATOM 514 OD2 ASP A 31 -13.529 -8.011 -2.522 1.00 24.42 O ATOM 0 H ASP A 31 -10.713 -8.800 -0.755 1.00 23.31 H new ATOM 0 HA ASP A 31 -11.711 -6.233 -1.218 1.00 1.31 H new ATOM 0 HB2 ASP A 31 -12.770 -8.417 0.645 1.00 21.41 H new ATOM 0 HB3 ASP A 31 -13.710 -7.082 0.008 1.00 21.41 H new ATOM 519 N LEU A 32 -10.850 -6.800 1.937 1.00 3.33 N ATOM 520 CA LEU A 32 -10.562 -6.195 3.247 1.00 50.25 C ATOM 521 C LEU A 32 -9.277 -5.336 3.192 1.00 33.13 C ATOM 522 O LEU A 32 -9.181 -4.306 3.872 1.00 33.41 O ATOM 523 CB LEU A 32 -10.455 -7.312 4.317 1.00 34.32 C ATOM 524 CG LEU A 32 -11.716 -8.214 4.527 1.00 30.43 C ATOM 525 CD1 LEU A 32 -11.488 -9.230 5.675 1.00 15.33 C ATOM 526 CD2 LEU A 32 -12.979 -7.362 4.775 1.00 61.13 C ATOM 0 H LEU A 32 -10.661 -7.802 1.898 1.00 3.33 H new ATOM 0 HA LEU A 32 -11.379 -5.527 3.520 1.00 50.25 H new ATOM 0 HB2 LEU A 32 -9.617 -7.957 4.052 1.00 34.32 H new ATOM 0 HB3 LEU A 32 -10.209 -6.846 5.271 1.00 34.32 H new ATOM 0 HG LEU A 32 -11.877 -8.780 3.609 1.00 30.43 H new ATOM 0 HD11 LEU A 32 -12.380 -9.844 5.800 1.00 15.33 H new ATOM 0 HD12 LEU A 32 -10.639 -9.869 5.432 1.00 15.33 H new ATOM 0 HD13 LEU A 32 -11.285 -8.693 6.601 1.00 15.33 H new ATOM 0 HD21 LEU A 32 -13.838 -8.018 4.917 1.00 61.13 H new ATOM 0 HD22 LEU A 32 -12.837 -6.752 5.667 1.00 61.13 H new ATOM 0 HD23 LEU A 32 -13.155 -6.714 3.916 1.00 61.13 H new ATOM 538 N LEU A 33 -8.294 -5.784 2.378 1.00 23.02 N ATOM 539 CA LEU A 33 -7.073 -5.004 2.046 1.00 71.42 C ATOM 540 C LEU A 33 -7.436 -3.609 1.480 1.00 61.32 C ATOM 541 O LEU A 33 -6.979 -2.586 1.985 1.00 4.45 O ATOM 542 CB LEU A 33 -6.208 -5.789 1.006 1.00 43.51 C ATOM 543 CG LEU A 33 -5.012 -5.011 0.353 1.00 44.03 C ATOM 544 CD1 LEU A 33 -3.895 -4.710 1.369 1.00 2.11 C ATOM 545 CD2 LEU A 33 -4.473 -5.751 -0.890 1.00 14.30 C ATOM 0 H LEU A 33 -8.323 -6.700 1.930 1.00 23.02 H new ATOM 0 HA LEU A 33 -6.502 -4.861 2.963 1.00 71.42 H new ATOM 0 HB2 LEU A 33 -5.809 -6.677 1.497 1.00 43.51 H new ATOM 0 HB3 LEU A 33 -6.865 -6.134 0.208 1.00 43.51 H new ATOM 0 HG LEU A 33 -5.398 -4.048 0.018 1.00 44.03 H new ATOM 0 HD11 LEU A 33 -3.088 -4.171 0.873 1.00 2.11 H new ATOM 0 HD12 LEU A 33 -4.295 -4.100 2.179 1.00 2.11 H new ATOM 0 HD13 LEU A 33 -3.510 -5.646 1.775 1.00 2.11 H new ATOM 0 HD21 LEU A 33 -3.645 -5.186 -1.319 1.00 14.30 H new ATOM 0 HD22 LEU A 33 -4.124 -6.742 -0.601 1.00 14.30 H new ATOM 0 HD23 LEU A 33 -5.268 -5.848 -1.629 1.00 14.30 H new ATOM 557 N LEU A 34 -8.292 -3.614 0.448 1.00 21.32 N ATOM 558 CA LEU A 34 -8.683 -2.418 -0.327 1.00 14.01 C ATOM 559 C LEU A 34 -9.575 -1.481 0.499 1.00 12.34 C ATOM 560 O LEU A 34 -9.589 -0.261 0.276 1.00 24.44 O ATOM 561 CB LEU A 34 -9.411 -2.869 -1.616 1.00 41.15 C ATOM 562 CG LEU A 34 -8.571 -3.771 -2.580 1.00 34.23 C ATOM 563 CD1 LEU A 34 -9.448 -4.384 -3.691 1.00 1.02 C ATOM 564 CD2 LEU A 34 -7.362 -3.003 -3.147 1.00 54.25 C ATOM 0 H LEU A 34 -8.744 -4.467 0.118 1.00 21.32 H new ATOM 0 HA LEU A 34 -7.785 -1.859 -0.589 1.00 14.01 H new ATOM 0 HB2 LEU A 34 -10.313 -3.411 -1.333 1.00 41.15 H new ATOM 0 HB3 LEU A 34 -9.730 -1.981 -2.162 1.00 41.15 H new ATOM 0 HG LEU A 34 -8.177 -4.605 -1.999 1.00 34.23 H new ATOM 0 HD11 LEU A 34 -8.831 -5.004 -4.341 1.00 1.02 H new ATOM 0 HD12 LEU A 34 -10.230 -4.996 -3.241 1.00 1.02 H new ATOM 0 HD13 LEU A 34 -9.904 -3.586 -4.277 1.00 1.02 H new ATOM 0 HD21 LEU A 34 -6.797 -3.655 -3.813 1.00 54.25 H new ATOM 0 HD22 LEU A 34 -7.712 -2.132 -3.702 1.00 54.25 H new ATOM 0 HD23 LEU A 34 -6.721 -2.678 -2.328 1.00 54.25 H new ATOM 576 N GLN A 35 -10.323 -2.069 1.447 1.00 43.54 N ATOM 577 CA GLN A 35 -11.117 -1.311 2.429 1.00 3.14 C ATOM 578 C GLN A 35 -10.189 -0.405 3.262 1.00 74.40 C ATOM 579 O GLN A 35 -10.455 0.784 3.455 1.00 63.44 O ATOM 580 CB GLN A 35 -11.884 -2.298 3.354 1.00 23.24 C ATOM 581 CG GLN A 35 -12.838 -1.646 4.381 1.00 13.33 C ATOM 582 CD GLN A 35 -14.015 -0.872 3.768 1.00 52.55 C ATOM 583 OE1 GLN A 35 -14.486 0.105 4.346 1.00 11.33 O ATOM 584 NE2 GLN A 35 -14.526 -1.308 2.620 1.00 22.23 N ATOM 0 H GLN A 35 -10.395 -3.081 1.554 1.00 43.54 H new ATOM 0 HA GLN A 35 -11.840 -0.685 1.906 1.00 3.14 H new ATOM 0 HB2 GLN A 35 -12.462 -2.979 2.729 1.00 23.24 H new ATOM 0 HB3 GLN A 35 -11.155 -2.902 3.894 1.00 23.24 H new ATOM 0 HG2 GLN A 35 -13.234 -2.425 5.033 1.00 13.33 H new ATOM 0 HG3 GLN A 35 -12.263 -0.966 5.009 1.00 13.33 H new ATOM 0 HE21 GLN A 35 -14.120 -2.121 2.157 1.00 22.23 H new ATOM 0 HE22 GLN A 35 -15.324 -0.829 2.203 1.00 22.23 H new ATOM 593 N GLN A 36 -9.071 -0.997 3.703 1.00 23.13 N ATOM 594 CA GLN A 36 -8.087 -0.343 4.582 1.00 44.20 C ATOM 595 C GLN A 36 -7.029 0.443 3.779 1.00 22.52 C ATOM 596 O GLN A 36 -6.297 1.247 4.364 1.00 23.30 O ATOM 597 CB GLN A 36 -7.418 -1.422 5.474 1.00 33.22 C ATOM 598 CG GLN A 36 -8.405 -2.216 6.354 1.00 72.33 C ATOM 599 CD GLN A 36 -9.103 -1.346 7.394 1.00 70.24 C ATOM 600 OE1 GLN A 36 -8.504 -0.427 7.948 1.00 31.43 O ATOM 601 NE2 GLN A 36 -10.380 -1.581 7.624 1.00 25.21 N ATOM 0 H GLN A 36 -8.820 -1.955 3.458 1.00 23.13 H new ATOM 0 HA GLN A 36 -8.604 0.384 5.208 1.00 44.20 H new ATOM 0 HB2 GLN A 36 -6.876 -2.120 4.836 1.00 33.22 H new ATOM 0 HB3 GLN A 36 -6.682 -0.940 6.117 1.00 33.22 H new ATOM 0 HG2 GLN A 36 -9.155 -2.685 5.718 1.00 72.33 H new ATOM 0 HG3 GLN A 36 -7.869 -3.019 6.860 1.00 72.33 H new ATOM 0 HE21 GLN A 36 -10.850 -2.351 7.149 1.00 25.21 H new ATOM 0 HE22 GLN A 36 -10.897 -0.992 8.277 1.00 25.21 H new ATOM 610 N GLU A 37 -6.959 0.193 2.449 1.00 21.42 N ATOM 611 CA GLU A 37 -6.012 0.857 1.515 1.00 73.41 C ATOM 612 C GLU A 37 -6.106 2.385 1.633 1.00 43.21 C ATOM 613 O GLU A 37 -5.118 3.068 1.934 1.00 23.22 O ATOM 614 CB GLU A 37 -6.343 0.456 0.051 1.00 15.04 C ATOM 615 CG GLU A 37 -5.476 1.157 -1.019 1.00 51.21 C ATOM 616 CD GLU A 37 -6.004 0.975 -2.447 1.00 44.41 C ATOM 617 OE1 GLU A 37 -5.817 -0.103 -3.031 1.00 64.23 O ATOM 618 OE2 GLU A 37 -6.628 1.920 -2.983 1.00 65.20 O ATOM 0 H GLU A 37 -7.566 -0.484 1.987 1.00 21.42 H new ATOM 0 HA GLU A 37 -5.004 0.536 1.777 1.00 73.41 H new ATOM 0 HB2 GLU A 37 -6.223 -0.622 -0.052 1.00 15.04 H new ATOM 0 HB3 GLU A 37 -7.391 0.681 -0.145 1.00 15.04 H new ATOM 0 HG2 GLU A 37 -5.423 2.222 -0.792 1.00 51.21 H new ATOM 0 HG3 GLU A 37 -4.459 0.768 -0.963 1.00 51.21 H new ATOM 625 N VAL A 38 -7.334 2.882 1.400 1.00 2.05 N ATOM 626 CA VAL A 38 -7.641 4.319 1.393 1.00 21.02 C ATOM 627 C VAL A 38 -7.291 4.973 2.735 1.00 21.22 C ATOM 628 O VAL A 38 -6.703 6.036 2.754 1.00 74.43 O ATOM 629 CB VAL A 38 -9.145 4.595 1.013 1.00 54.31 C ATOM 630 CG1 VAL A 38 -9.430 4.193 -0.455 1.00 50.21 C ATOM 631 CG2 VAL A 38 -10.119 3.881 1.989 1.00 65.33 C ATOM 0 H VAL A 38 -8.144 2.292 1.210 1.00 2.05 H new ATOM 0 HA VAL A 38 -7.017 4.773 0.623 1.00 21.02 H new ATOM 0 HB VAL A 38 -9.317 5.667 1.107 1.00 54.31 H new ATOM 0 HG11 VAL A 38 -10.475 4.394 -0.691 1.00 50.21 H new ATOM 0 HG12 VAL A 38 -8.790 4.771 -1.121 1.00 50.21 H new ATOM 0 HG13 VAL A 38 -9.226 3.130 -0.587 1.00 50.21 H new ATOM 0 HG21 VAL A 38 -11.147 4.093 1.697 1.00 65.33 H new ATOM 0 HG22 VAL A 38 -9.946 2.805 1.953 1.00 65.33 H new ATOM 0 HG23 VAL A 38 -9.948 4.242 3.003 1.00 65.33 H new ATOM 641 N SER A 39 -7.600 4.284 3.839 1.00 23.21 N ATOM 642 CA SER A 39 -7.354 4.777 5.197 1.00 14.54 C ATOM 643 C SER A 39 -5.842 4.938 5.449 1.00 43.35 C ATOM 644 O SER A 39 -5.377 5.960 5.962 1.00 41.41 O ATOM 645 CB SER A 39 -7.974 3.784 6.206 1.00 11.12 C ATOM 646 OG SER A 39 -9.336 3.501 5.893 1.00 61.33 O ATOM 0 H SER A 39 -8.032 3.360 3.814 1.00 23.21 H new ATOM 0 HA SER A 39 -7.816 5.757 5.321 1.00 14.54 H new ATOM 0 HB2 SER A 39 -7.400 2.858 6.206 1.00 11.12 H new ATOM 0 HB3 SER A 39 -7.910 4.199 7.212 1.00 11.12 H new ATOM 0 HG SER A 39 -9.698 2.869 6.549 1.00 61.33 H new ATOM 652 N TYR A 40 -5.101 3.914 5.033 1.00 34.25 N ATOM 653 CA TYR A 40 -3.661 3.794 5.264 1.00 54.13 C ATOM 654 C TYR A 40 -2.873 4.864 4.482 1.00 62.53 C ATOM 655 O TYR A 40 -2.175 5.693 5.082 1.00 43.02 O ATOM 656 CB TYR A 40 -3.225 2.365 4.870 1.00 23.22 C ATOM 657 CG TYR A 40 -1.716 2.117 4.904 1.00 1.45 C ATOM 658 CD1 TYR A 40 -0.956 2.500 6.006 1.00 22.34 C ATOM 659 CD2 TYR A 40 -1.056 1.511 3.832 1.00 13.54 C ATOM 660 CE1 TYR A 40 0.391 2.286 6.033 1.00 12.32 C ATOM 661 CE2 TYR A 40 0.300 1.292 3.861 1.00 23.33 C ATOM 662 CZ TYR A 40 1.020 1.686 4.965 1.00 52.32 C ATOM 663 OH TYR A 40 2.374 1.472 5.024 1.00 62.42 O ATOM 0 H TYR A 40 -5.492 3.127 4.515 1.00 34.25 H new ATOM 0 HA TYR A 40 -3.442 3.965 6.318 1.00 54.13 H new ATOM 0 HB2 TYR A 40 -3.710 1.656 5.541 1.00 23.22 H new ATOM 0 HB3 TYR A 40 -3.590 2.154 3.865 1.00 23.22 H new ATOM 0 HD1 TYR A 40 -1.438 2.972 6.849 1.00 22.34 H new ATOM 0 HD2 TYR A 40 -1.623 1.209 2.964 1.00 13.54 H new ATOM 0 HE1 TYR A 40 0.966 2.588 6.895 1.00 12.32 H new ATOM 0 HE2 TYR A 40 0.795 0.816 3.027 1.00 23.33 H new ATOM 0 HH TYR A 40 2.675 1.537 5.954 1.00 62.42 H new ATOM 673 N LEU A 41 -3.007 4.825 3.148 1.00 2.12 N ATOM 674 CA LEU A 41 -2.285 5.722 2.238 1.00 21.41 C ATOM 675 C LEU A 41 -2.641 7.192 2.526 1.00 40.44 C ATOM 676 O LEU A 41 -1.760 8.042 2.511 1.00 61.04 O ATOM 677 CB LEU A 41 -2.592 5.354 0.758 1.00 1.13 C ATOM 678 CG LEU A 41 -2.157 3.920 0.288 1.00 1.23 C ATOM 679 CD1 LEU A 41 -2.624 3.629 -1.165 1.00 74.55 C ATOM 680 CD2 LEU A 41 -0.626 3.714 0.443 1.00 53.54 C ATOM 0 H LEU A 41 -3.622 4.167 2.670 1.00 2.12 H new ATOM 0 HA LEU A 41 -1.215 5.598 2.406 1.00 21.41 H new ATOM 0 HB2 LEU A 41 -3.665 5.455 0.597 1.00 1.13 H new ATOM 0 HB3 LEU A 41 -2.103 6.087 0.116 1.00 1.13 H new ATOM 0 HG LEU A 41 -2.653 3.200 0.939 1.00 1.23 H new ATOM 0 HD11 LEU A 41 -2.305 2.628 -1.456 1.00 74.55 H new ATOM 0 HD12 LEU A 41 -3.711 3.693 -1.218 1.00 74.55 H new ATOM 0 HD13 LEU A 41 -2.184 4.361 -1.842 1.00 74.55 H new ATOM 0 HD21 LEU A 41 -0.358 2.712 0.109 1.00 53.54 H new ATOM 0 HD22 LEU A 41 -0.097 4.451 -0.161 1.00 53.54 H new ATOM 0 HD23 LEU A 41 -0.347 3.834 1.490 1.00 53.54 H new ATOM 692 N GLN A 42 -3.932 7.458 2.831 1.00 11.43 N ATOM 693 CA GLN A 42 -4.427 8.818 3.165 1.00 65.34 C ATOM 694 C GLN A 42 -3.762 9.359 4.448 1.00 12.45 C ATOM 695 O GLN A 42 -3.439 10.546 4.524 1.00 34.33 O ATOM 696 CB GLN A 42 -5.961 8.816 3.339 1.00 44.20 C ATOM 697 CG GLN A 42 -6.610 10.191 3.573 1.00 22.22 C ATOM 698 CD GLN A 42 -8.130 10.130 3.814 1.00 64.23 C ATOM 699 OE1 GLN A 42 -8.689 10.950 4.541 1.00 23.22 O ATOM 700 NE2 GLN A 42 -8.818 9.165 3.193 1.00 63.44 N ATOM 0 H GLN A 42 -4.658 6.742 2.853 1.00 11.43 H new ATOM 0 HA GLN A 42 -4.162 9.472 2.334 1.00 65.34 H new ATOM 0 HB2 GLN A 42 -6.408 8.371 2.450 1.00 44.20 H new ATOM 0 HB3 GLN A 42 -6.212 8.169 4.180 1.00 44.20 H new ATOM 0 HG2 GLN A 42 -6.134 10.665 4.432 1.00 22.22 H new ATOM 0 HG3 GLN A 42 -6.414 10.826 2.709 1.00 22.22 H new ATOM 0 HE21 GLN A 42 -8.332 8.496 2.595 1.00 63.44 H new ATOM 0 HE22 GLN A 42 -9.828 9.098 3.318 1.00 63.44 H new ATOM 709 N SER A 43 -3.588 8.478 5.455 1.00 12.41 N ATOM 710 CA SER A 43 -2.902 8.834 6.718 1.00 54.35 C ATOM 711 C SER A 43 -1.428 9.240 6.462 1.00 15.42 C ATOM 712 O SER A 43 -0.921 10.197 7.073 1.00 11.12 O ATOM 713 CB SER A 43 -2.999 7.680 7.746 1.00 75.32 C ATOM 714 OG SER A 43 -4.347 7.434 8.126 1.00 22.42 O ATOM 0 H SER A 43 -3.914 7.512 5.419 1.00 12.41 H new ATOM 0 HA SER A 43 -3.410 9.700 7.142 1.00 54.35 H new ATOM 0 HB2 SER A 43 -2.569 6.774 7.319 1.00 75.32 H new ATOM 0 HB3 SER A 43 -2.410 7.927 8.629 1.00 75.32 H new ATOM 0 HG SER A 43 -4.787 6.892 7.438 1.00 22.42 H new ATOM 720 N ILE A 44 -0.756 8.508 5.546 1.00 11.22 N ATOM 721 CA ILE A 44 0.618 8.839 5.104 1.00 0.33 C ATOM 722 C ILE A 44 0.630 10.195 4.366 1.00 64.05 C ATOM 723 O ILE A 44 1.513 11.041 4.587 1.00 13.43 O ATOM 724 CB ILE A 44 1.220 7.723 4.164 1.00 52.51 C ATOM 725 CG1 ILE A 44 1.137 6.309 4.834 1.00 21.12 C ATOM 726 CG2 ILE A 44 2.682 8.059 3.773 1.00 30.33 C ATOM 727 CD1 ILE A 44 1.571 5.154 3.939 1.00 40.24 C ATOM 0 H ILE A 44 -1.145 7.680 5.096 1.00 11.22 H new ATOM 0 HA ILE A 44 1.239 8.899 5.998 1.00 0.33 H new ATOM 0 HB ILE A 44 0.620 7.698 3.254 1.00 52.51 H new ATOM 0 HG12 ILE A 44 1.758 6.310 5.730 1.00 21.12 H new ATOM 0 HG13 ILE A 44 0.111 6.135 5.157 1.00 21.12 H new ATOM 0 HG21 ILE A 44 3.075 7.275 3.125 1.00 30.33 H new ATOM 0 HG22 ILE A 44 2.708 9.012 3.245 1.00 30.33 H new ATOM 0 HG23 ILE A 44 3.293 8.126 4.673 1.00 30.33 H new ATOM 0 HD11 ILE A 44 1.480 4.216 4.486 1.00 40.24 H new ATOM 0 HD12 ILE A 44 0.936 5.121 3.054 1.00 40.24 H new ATOM 0 HD13 ILE A 44 2.608 5.298 3.636 1.00 40.24 H new ATOM 739 N GLU A 45 -0.380 10.398 3.511 1.00 34.22 N ATOM 740 CA GLU A 45 -0.507 11.610 2.704 1.00 61.34 C ATOM 741 C GLU A 45 -0.683 12.853 3.589 1.00 65.54 C ATOM 742 O GLU A 45 0.022 13.830 3.402 1.00 71.13 O ATOM 743 CB GLU A 45 -1.672 11.467 1.690 1.00 71.31 C ATOM 744 CG GLU A 45 -1.391 10.458 0.558 1.00 54.03 C ATOM 745 CD GLU A 45 -2.597 10.216 -0.369 1.00 62.22 C ATOM 746 OE1 GLU A 45 -2.696 10.871 -1.426 1.00 64.44 O ATOM 747 OE2 GLU A 45 -3.447 9.355 -0.059 1.00 20.21 O ATOM 0 H GLU A 45 -1.131 9.724 3.362 1.00 34.22 H new ATOM 0 HA GLU A 45 0.417 11.743 2.141 1.00 61.34 H new ATOM 0 HB2 GLU A 45 -2.571 11.159 2.224 1.00 71.31 H new ATOM 0 HB3 GLU A 45 -1.881 12.443 1.251 1.00 71.31 H new ATOM 0 HG2 GLU A 45 -0.552 10.818 -0.038 1.00 54.03 H new ATOM 0 HG3 GLU A 45 -1.085 9.508 0.997 1.00 54.03 H new ATOM 754 N THR A 46 -1.569 12.768 4.595 1.00 23.15 N ATOM 755 CA THR A 46 -1.935 13.922 5.441 1.00 71.33 C ATOM 756 C THR A 46 -0.801 14.317 6.422 1.00 1.23 C ATOM 757 O THR A 46 -0.634 15.514 6.713 1.00 51.33 O ATOM 758 CB THR A 46 -3.294 13.687 6.201 1.00 52.30 C ATOM 759 OG1 THR A 46 -3.649 14.847 6.980 1.00 23.34 O ATOM 760 CG2 THR A 46 -3.250 12.474 7.119 1.00 73.05 C ATOM 0 H THR A 46 -2.050 11.904 4.846 1.00 23.15 H new ATOM 0 HA THR A 46 -2.080 14.764 4.765 1.00 71.33 H new ATOM 0 HB THR A 46 -4.045 13.505 5.432 1.00 52.30 H new ATOM 0 HG1 THR A 46 -4.497 14.683 7.444 1.00 23.34 H new ATOM 0 HG21 THR A 46 -4.213 12.360 7.617 1.00 73.05 H new ATOM 0 HG22 THR A 46 -3.037 11.581 6.532 1.00 73.05 H new ATOM 0 HG23 THR A 46 -2.469 12.612 7.867 1.00 73.05 H new ATOM 768 N VAL A 47 -0.007 13.328 6.926 1.00 12.32 N ATOM 769 CA VAL A 47 1.188 13.650 7.761 1.00 1.34 C ATOM 770 C VAL A 47 2.288 14.330 6.905 1.00 44.44 C ATOM 771 O VAL A 47 3.012 15.213 7.393 1.00 65.44 O ATOM 772 CB VAL A 47 1.773 12.400 8.541 1.00 44.00 C ATOM 773 CG1 VAL A 47 0.737 11.806 9.530 1.00 64.23 C ATOM 774 CG2 VAL A 47 2.305 11.310 7.581 1.00 74.12 C ATOM 0 H VAL A 47 -0.165 12.332 6.775 1.00 12.32 H new ATOM 0 HA VAL A 47 0.845 14.348 8.525 1.00 1.34 H new ATOM 0 HB VAL A 47 2.620 12.766 9.121 1.00 44.00 H new ATOM 0 HG11 VAL A 47 1.175 10.951 10.046 1.00 64.23 H new ATOM 0 HG12 VAL A 47 0.455 12.564 10.260 1.00 64.23 H new ATOM 0 HG13 VAL A 47 -0.148 11.484 8.980 1.00 64.23 H new ATOM 0 HG21 VAL A 47 2.696 10.474 8.161 1.00 74.12 H new ATOM 0 HG22 VAL A 47 1.494 10.961 6.942 1.00 74.12 H new ATOM 0 HG23 VAL A 47 3.101 11.726 6.963 1.00 74.12 H new ATOM 784 N MET A 48 2.377 13.935 5.618 1.00 14.00 N ATOM 785 CA MET A 48 3.338 14.525 4.658 1.00 44.04 C ATOM 786 C MET A 48 2.834 15.857 4.061 1.00 13.35 C ATOM 787 O MET A 48 3.643 16.653 3.575 1.00 13.25 O ATOM 788 CB MET A 48 3.680 13.504 3.539 1.00 74.04 C ATOM 789 CG MET A 48 4.519 12.319 4.028 1.00 30.42 C ATOM 790 SD MET A 48 6.079 12.879 4.743 1.00 20.21 S ATOM 791 CE MET A 48 6.790 11.347 5.324 1.00 71.42 C ATOM 0 H MET A 48 1.790 13.204 5.216 1.00 14.00 H new ATOM 0 HA MET A 48 4.248 14.758 5.211 1.00 44.04 H new ATOM 0 HB2 MET A 48 2.753 13.128 3.105 1.00 74.04 H new ATOM 0 HB3 MET A 48 4.220 14.017 2.743 1.00 74.04 H new ATOM 0 HG2 MET A 48 3.957 11.753 4.771 1.00 30.42 H new ATOM 0 HG3 MET A 48 4.718 11.643 3.197 1.00 30.42 H new ATOM 0 HE1 MET A 48 7.059 11.447 6.375 1.00 71.42 H new ATOM 0 HE2 MET A 48 6.063 10.542 5.210 1.00 71.42 H new ATOM 0 HE3 MET A 48 7.682 11.116 4.741 1.00 71.42 H new ATOM 801 N GLU A 49 1.510 16.107 4.115 1.00 10.01 N ATOM 802 CA GLU A 49 0.911 17.399 3.685 1.00 53.52 C ATOM 803 C GLU A 49 1.130 18.471 4.749 1.00 52.20 C ATOM 804 O GLU A 49 1.266 19.659 4.431 1.00 61.24 O ATOM 805 CB GLU A 49 -0.599 17.242 3.364 1.00 73.41 C ATOM 806 CG GLU A 49 -0.885 16.511 2.040 1.00 42.23 C ATOM 807 CD GLU A 49 -2.385 16.352 1.747 1.00 44.42 C ATOM 808 OE1 GLU A 49 -2.985 15.328 2.157 1.00 4.31 O ATOM 809 OE2 GLU A 49 -2.976 17.258 1.114 1.00 53.12 O ATOM 0 H GLU A 49 0.827 15.430 4.454 1.00 10.01 H new ATOM 0 HA GLU A 49 1.413 17.713 2.770 1.00 53.52 H new ATOM 0 HB2 GLU A 49 -1.078 16.698 4.178 1.00 73.41 H new ATOM 0 HB3 GLU A 49 -1.057 18.230 3.328 1.00 73.41 H new ATOM 0 HG2 GLU A 49 -0.418 17.059 1.222 1.00 42.23 H new ATOM 0 HG3 GLU A 49 -0.421 15.525 2.069 1.00 42.23 H new ATOM 816 N LYS A 50 1.176 18.035 6.016 1.00 53.13 N ATOM 817 CA LYS A 50 1.563 18.898 7.145 1.00 72.34 C ATOM 818 C LYS A 50 3.113 18.923 7.283 1.00 0.34 C ATOM 819 O LYS A 50 3.663 19.639 8.124 1.00 33.12 O ATOM 820 CB LYS A 50 0.848 18.418 8.441 1.00 32.40 C ATOM 821 CG LYS A 50 0.826 19.431 9.624 1.00 22.40 C ATOM 822 CD LYS A 50 0.246 20.833 9.251 1.00 34.12 C ATOM 823 CE LYS A 50 -1.170 20.791 8.620 1.00 34.12 C ATOM 824 NZ LYS A 50 -2.195 20.186 9.509 1.00 11.24 N ATOM 0 H LYS A 50 0.947 17.079 6.288 1.00 53.13 H new ATOM 0 HA LYS A 50 1.243 19.924 6.964 1.00 72.34 H new ATOM 0 HB2 LYS A 50 -0.181 18.160 8.190 1.00 32.40 H new ATOM 0 HB3 LYS A 50 1.332 17.503 8.781 1.00 32.40 H new ATOM 0 HG2 LYS A 50 0.236 19.010 10.438 1.00 22.40 H new ATOM 0 HG3 LYS A 50 1.842 19.558 9.999 1.00 22.40 H new ATOM 0 HD2 LYS A 50 0.213 21.450 10.149 1.00 34.12 H new ATOM 0 HD3 LYS A 50 0.927 21.321 8.554 1.00 34.12 H new ATOM 0 HE2 LYS A 50 -1.475 21.805 8.364 1.00 34.12 H new ATOM 0 HE3 LYS A 50 -1.128 20.226 7.689 1.00 34.12 H new ATOM 0 HZ1 LYS A 50 -3.117 20.189 9.028 1.00 11.24 H new ATOM 0 HZ2 LYS A 50 -1.925 19.207 9.734 1.00 11.24 H new ATOM 0 HZ3 LYS A 50 -2.262 20.738 10.388 1.00 11.24 H new ATOM 838 N GLN A 51 3.785 18.083 6.444 1.00 73.01 N ATOM 839 CA GLN A 51 5.252 18.103 6.181 1.00 22.21 C ATOM 840 C GLN A 51 6.103 17.742 7.421 1.00 73.03 C ATOM 841 O GLN A 51 7.329 17.909 7.382 1.00 32.52 O ATOM 842 CB GLN A 51 5.696 19.477 5.576 1.00 64.44 C ATOM 843 CG GLN A 51 5.065 19.804 4.203 1.00 23.01 C ATOM 844 CD GLN A 51 5.551 21.128 3.601 1.00 34.22 C ATOM 845 OE1 GLN A 51 6.534 21.162 2.861 1.00 63.20 O ATOM 846 NE2 GLN A 51 4.861 22.223 3.898 1.00 24.43 N ATOM 0 H GLN A 51 3.305 17.353 5.918 1.00 73.01 H new ATOM 0 HA GLN A 51 5.439 17.320 5.446 1.00 22.21 H new ATOM 0 HB2 GLN A 51 5.439 20.270 6.279 1.00 64.44 H new ATOM 0 HB3 GLN A 51 6.781 19.482 5.474 1.00 64.44 H new ATOM 0 HG2 GLN A 51 5.289 18.995 3.508 1.00 23.01 H new ATOM 0 HG3 GLN A 51 3.981 19.840 4.311 1.00 23.01 H new ATOM 0 HE21 GLN A 51 4.050 22.164 4.514 1.00 24.43 H new ATOM 0 HE22 GLN A 51 5.141 23.124 3.510 1.00 24.43 H new ATOM 855 N THR A 52 5.448 17.182 8.465 1.00 32.30 N ATOM 856 CA THR A 52 6.043 16.953 9.798 1.00 40.44 C ATOM 857 C THR A 52 6.401 18.308 10.486 1.00 63.55 C ATOM 858 O THR A 52 7.281 19.034 9.990 1.00 44.31 O ATOM 859 CB THR A 52 7.300 15.992 9.754 1.00 62.24 C ATOM 860 OG1 THR A 52 6.900 14.683 9.295 1.00 23.25 O ATOM 861 CG2 THR A 52 7.997 15.867 11.127 1.00 20.25 C ATOM 0 H THR A 52 4.478 16.873 8.402 1.00 32.30 H new ATOM 0 HA THR A 52 5.285 16.446 10.395 1.00 40.44 H new ATOM 0 HB THR A 52 8.017 16.432 9.061 1.00 62.24 H new ATOM 0 HG1 THR A 52 7.682 14.093 9.268 1.00 23.25 H new ATOM 0 HG21 THR A 52 8.852 15.197 11.041 1.00 20.25 H new ATOM 0 HG22 THR A 52 8.337 16.850 11.453 1.00 20.25 H new ATOM 0 HG23 THR A 52 7.294 15.466 11.857 1.00 20.25 H new ATOM 869 N PRO A 53 5.716 18.687 11.622 1.00 60.34 N ATOM 870 CA PRO A 53 6.083 19.898 12.416 1.00 13.24 C ATOM 871 C PRO A 53 7.512 19.778 13.026 1.00 75.41 C ATOM 872 O PRO A 53 7.935 18.670 13.361 1.00 53.30 O ATOM 873 CB PRO A 53 5.000 19.937 13.529 1.00 73.45 C ATOM 874 CG PRO A 53 4.486 18.534 13.618 1.00 74.25 C ATOM 875 CD PRO A 53 4.538 17.989 12.212 1.00 25.31 C ATOM 0 HA PRO A 53 6.110 20.804 11.811 1.00 13.24 H new ATOM 0 HB2 PRO A 53 5.422 20.264 14.479 1.00 73.45 H new ATOM 0 HB3 PRO A 53 4.201 20.635 13.278 1.00 73.45 H new ATOM 0 HG2 PRO A 53 5.098 17.935 14.293 1.00 74.25 H new ATOM 0 HG3 PRO A 53 3.468 18.514 14.008 1.00 74.25 H new ATOM 0 HD2 PRO A 53 4.665 16.906 12.204 1.00 25.31 H new ATOM 0 HD3 PRO A 53 3.623 18.207 11.661 1.00 25.31 H new ATOM 883 N PRO A 54 8.282 20.906 13.165 1.00 41.14 N ATOM 884 CA PRO A 54 9.641 20.892 13.788 1.00 72.21 C ATOM 885 C PRO A 54 9.606 20.704 15.323 1.00 72.12 C ATOM 886 O PRO A 54 10.625 20.372 15.929 1.00 55.35 O ATOM 887 CB PRO A 54 10.242 22.275 13.384 1.00 41.00 C ATOM 888 CG PRO A 54 9.294 22.845 12.365 1.00 13.15 C ATOM 889 CD PRO A 54 7.938 22.268 12.687 1.00 64.10 C ATOM 0 HA PRO A 54 10.237 20.048 13.442 1.00 72.21 H new ATOM 0 HB2 PRO A 54 10.329 22.932 14.249 1.00 41.00 H new ATOM 0 HB3 PRO A 54 11.243 22.161 12.968 1.00 41.00 H new ATOM 0 HG2 PRO A 54 9.276 23.934 12.415 1.00 13.15 H new ATOM 0 HG3 PRO A 54 9.601 22.577 11.354 1.00 13.15 H new ATOM 0 HD2 PRO A 54 7.419 22.848 13.450 1.00 64.10 H new ATOM 0 HD3 PRO A 54 7.289 22.240 11.812 1.00 64.10 H new ATOM 897 N GLY A 55 8.419 20.896 15.931 1.00 53.41 N ATOM 898 CA GLY A 55 8.235 20.774 17.381 1.00 73.43 C ATOM 899 C GLY A 55 7.993 19.335 17.830 1.00 32.11 C ATOM 900 O GLY A 55 6.947 19.015 18.412 1.00 61.51 O ATOM 0 H GLY A 55 7.566 21.139 15.428 1.00 53.41 H new ATOM 0 HA2 GLY A 55 9.117 21.164 17.888 1.00 73.43 H new ATOM 0 HA3 GLY A 55 7.391 21.392 17.688 1.00 73.43 H new ATOM 904 N ILE A 56 8.974 18.461 17.542 1.00 64.12 N ATOM 905 CA ILE A 56 8.934 17.022 17.872 1.00 44.02 C ATOM 906 C ILE A 56 10.100 16.698 18.820 1.00 43.01 C ATOM 907 O ILE A 56 11.267 16.739 18.405 1.00 23.45 O ATOM 908 CB ILE A 56 9.030 16.127 16.567 1.00 34.01 C ATOM 909 CG1 ILE A 56 7.864 16.456 15.581 1.00 21.34 C ATOM 910 CG2 ILE A 56 9.079 14.612 16.895 1.00 44.50 C ATOM 911 CD1 ILE A 56 6.460 16.346 16.167 1.00 13.44 C ATOM 0 H ILE A 56 9.832 18.738 17.065 1.00 64.12 H new ATOM 0 HA ILE A 56 7.983 16.798 18.355 1.00 44.02 H new ATOM 0 HB ILE A 56 9.972 16.372 16.077 1.00 34.01 H new ATOM 0 HG12 ILE A 56 8.004 17.470 15.205 1.00 21.34 H new ATOM 0 HG13 ILE A 56 7.935 15.786 14.724 1.00 21.34 H new ATOM 0 HG21 ILE A 56 9.144 14.041 15.969 1.00 44.50 H new ATOM 0 HG22 ILE A 56 9.952 14.402 17.513 1.00 44.50 H new ATOM 0 HG23 ILE A 56 8.175 14.327 17.434 1.00 44.50 H new ATOM 0 HD11 ILE A 56 5.726 16.595 15.401 1.00 13.44 H new ATOM 0 HD12 ILE A 56 6.290 15.327 16.516 1.00 13.44 H new ATOM 0 HD13 ILE A 56 6.360 17.037 17.004 1.00 13.44 H new ATOM 923 N THR A 57 9.779 16.403 20.096 1.00 4.34 N ATOM 924 CA THR A 57 10.779 16.013 21.118 1.00 24.34 C ATOM 925 C THR A 57 11.227 14.548 20.905 1.00 3.02 C ATOM 926 O THR A 57 10.620 13.826 20.115 1.00 41.22 O ATOM 927 CB THR A 57 10.226 16.213 22.577 1.00 10.12 C ATOM 928 OG1 THR A 57 11.228 15.875 23.547 1.00 73.32 O ATOM 929 CG2 THR A 57 8.968 15.379 22.854 1.00 2.44 C ATOM 0 H THR A 57 8.822 16.427 20.449 1.00 4.34 H new ATOM 0 HA THR A 57 11.643 16.667 21.000 1.00 24.34 H new ATOM 0 HB THR A 57 9.959 17.266 22.660 1.00 10.12 H new ATOM 0 HG1 THR A 57 10.868 16.007 24.449 1.00 73.32 H new ATOM 0 HG21 THR A 57 8.631 15.557 23.875 1.00 2.44 H new ATOM 0 HG22 THR A 57 8.181 15.666 22.157 1.00 2.44 H new ATOM 0 HG23 THR A 57 9.198 14.321 22.727 1.00 2.44 H new ATOM 937 N ARG A 58 12.250 14.107 21.667 1.00 43.25 N ATOM 938 CA ARG A 58 12.924 12.803 21.458 1.00 2.53 C ATOM 939 C ARG A 58 12.000 11.609 21.793 1.00 63.24 C ATOM 940 O ARG A 58 12.156 10.516 21.232 1.00 34.41 O ATOM 941 CB ARG A 58 14.248 12.727 22.283 1.00 22.24 C ATOM 942 CG ARG A 58 14.121 12.396 23.800 1.00 72.04 C ATOM 943 CD ARG A 58 13.357 13.453 24.626 1.00 42.41 C ATOM 944 NE ARG A 58 14.001 14.780 24.592 1.00 65.11 N ATOM 945 CZ ARG A 58 15.068 15.152 25.334 1.00 23.14 C ATOM 946 NH1 ARG A 58 15.639 14.309 26.191 1.00 31.05 N ATOM 947 NH2 ARG A 58 15.560 16.374 25.205 1.00 25.11 N ATOM 0 H ARG A 58 12.634 14.643 22.445 1.00 43.25 H new ATOM 0 HA ARG A 58 13.169 12.733 20.398 1.00 2.53 H new ATOM 0 HB2 ARG A 58 14.889 11.974 21.825 1.00 22.24 H new ATOM 0 HB3 ARG A 58 14.762 13.684 22.187 1.00 22.24 H new ATOM 0 HG2 ARG A 58 13.617 11.436 23.908 1.00 72.04 H new ATOM 0 HG3 ARG A 58 15.121 12.280 24.218 1.00 72.04 H new ATOM 0 HD2 ARG A 58 12.339 13.538 24.246 1.00 42.41 H new ATOM 0 HD3 ARG A 58 13.284 13.116 25.660 1.00 42.41 H new ATOM 0 HE ARG A 58 13.609 15.474 23.956 1.00 65.11 H new ATOM 0 HH11 ARG A 58 15.272 13.363 26.297 1.00 31.05 H new ATOM 0 HH12 ARG A 58 16.443 14.609 26.742 1.00 31.05 H new ATOM 0 HH21 ARG A 58 15.134 17.029 24.549 1.00 25.11 H new ATOM 0 HH22 ARG A 58 16.365 16.661 25.762 1.00 25.11 H new ATOM 961 N SER A 59 11.037 11.841 22.703 1.00 54.53 N ATOM 962 CA SER A 59 10.051 10.825 23.112 1.00 72.11 C ATOM 963 C SER A 59 9.056 10.574 21.967 1.00 12.12 C ATOM 964 O SER A 59 8.784 9.426 21.602 1.00 24.43 O ATOM 965 CB SER A 59 9.314 11.282 24.393 1.00 52.33 C ATOM 966 OG SER A 59 8.401 10.294 24.856 1.00 31.22 O ATOM 0 H SER A 59 10.921 12.738 23.175 1.00 54.53 H new ATOM 0 HA SER A 59 10.568 9.891 23.333 1.00 72.11 H new ATOM 0 HB2 SER A 59 10.043 11.499 25.174 1.00 52.33 H new ATOM 0 HB3 SER A 59 8.776 12.209 24.192 1.00 52.33 H new ATOM 0 HG SER A 59 7.955 10.616 25.667 1.00 31.22 H new ATOM 972 N ILE A 60 8.546 11.677 21.387 1.00 25.12 N ATOM 973 CA ILE A 60 7.606 11.635 20.247 1.00 53.42 C ATOM 974 C ILE A 60 8.290 11.022 19.019 1.00 3.43 C ATOM 975 O ILE A 60 7.701 10.185 18.334 1.00 44.01 O ATOM 976 CB ILE A 60 7.054 13.070 19.921 1.00 11.33 C ATOM 977 CG1 ILE A 60 6.261 13.631 21.143 1.00 43.13 C ATOM 978 CG2 ILE A 60 6.185 13.083 18.637 1.00 33.14 C ATOM 979 CD1 ILE A 60 5.795 15.069 20.995 1.00 20.21 C ATOM 0 H ILE A 60 8.773 12.623 21.694 1.00 25.12 H new ATOM 0 HA ILE A 60 6.759 11.007 20.522 1.00 53.42 H new ATOM 0 HB ILE A 60 7.908 13.719 19.728 1.00 11.33 H new ATOM 0 HG12 ILE A 60 5.391 12.998 21.315 1.00 43.13 H new ATOM 0 HG13 ILE A 60 6.889 13.557 22.031 1.00 43.13 H new ATOM 0 HG21 ILE A 60 5.825 14.095 18.451 1.00 33.14 H new ATOM 0 HG22 ILE A 60 6.783 12.749 17.789 1.00 33.14 H new ATOM 0 HG23 ILE A 60 5.334 12.414 18.767 1.00 33.14 H new ATOM 0 HD11 ILE A 60 5.254 15.370 21.892 1.00 20.21 H new ATOM 0 HD12 ILE A 60 6.659 15.719 20.857 1.00 20.21 H new ATOM 0 HD13 ILE A 60 5.137 15.151 20.130 1.00 20.21 H new ATOM 991 N GLN A 61 9.549 11.443 18.792 1.00 41.24 N ATOM 992 CA GLN A 61 10.439 10.898 17.750 1.00 40.41 C ATOM 993 C GLN A 61 10.508 9.366 17.840 1.00 42.21 C ATOM 994 O GLN A 61 10.304 8.670 16.854 1.00 72.34 O ATOM 995 CB GLN A 61 11.868 11.488 17.936 1.00 3.31 C ATOM 996 CG GLN A 61 12.964 10.863 17.043 1.00 61.41 C ATOM 997 CD GLN A 61 14.383 11.154 17.548 1.00 65.32 C ATOM 998 OE1 GLN A 61 14.931 10.401 18.353 1.00 75.35 O ATOM 999 NE2 GLN A 61 14.990 12.235 17.078 1.00 33.20 N ATOM 0 H GLN A 61 9.984 12.186 19.339 1.00 41.24 H new ATOM 0 HA GLN A 61 10.042 11.173 16.773 1.00 40.41 H new ATOM 0 HB2 GLN A 61 11.829 12.559 17.738 1.00 3.31 H new ATOM 0 HB3 GLN A 61 12.160 11.367 18.979 1.00 3.31 H new ATOM 0 HG2 GLN A 61 12.815 9.784 16.995 1.00 61.41 H new ATOM 0 HG3 GLN A 61 12.860 11.245 16.027 1.00 61.41 H new ATOM 0 HE21 GLN A 61 14.510 12.840 16.412 1.00 33.20 H new ATOM 0 HE22 GLN A 61 15.937 12.461 17.383 1.00 33.20 H new ATOM 1008 N ASP A 62 10.784 8.871 19.056 1.00 21.13 N ATOM 1009 CA ASP A 62 10.971 7.432 19.320 1.00 53.24 C ATOM 1010 C ASP A 62 9.676 6.639 19.051 1.00 4.13 C ATOM 1011 O ASP A 62 9.723 5.578 18.413 1.00 65.42 O ATOM 1012 CB ASP A 62 11.471 7.215 20.772 1.00 65.14 C ATOM 1013 CG ASP A 62 11.776 5.743 21.111 1.00 3.24 C ATOM 1014 OD1 ASP A 62 10.943 5.083 21.768 1.00 52.33 O ATOM 1015 OD2 ASP A 62 12.831 5.225 20.680 1.00 21.53 O ATOM 0 H ASP A 62 10.884 9.455 19.886 1.00 21.13 H new ATOM 0 HA ASP A 62 11.729 7.054 18.634 1.00 53.24 H new ATOM 0 HB2 ASP A 62 12.372 7.808 20.929 1.00 65.14 H new ATOM 0 HB3 ASP A 62 10.718 7.589 21.465 1.00 65.14 H new ATOM 1020 N MET A 63 8.526 7.180 19.515 1.00 23.45 N ATOM 1021 CA MET A 63 7.207 6.533 19.328 1.00 11.10 C ATOM 1022 C MET A 63 6.901 6.378 17.831 1.00 61.24 C ATOM 1023 O MET A 63 6.725 5.260 17.335 1.00 75.05 O ATOM 1024 CB MET A 63 6.055 7.348 19.978 1.00 12.02 C ATOM 1025 CG MET A 63 6.140 7.576 21.496 1.00 22.22 C ATOM 1026 SD MET A 63 4.645 8.365 22.160 1.00 45.52 S ATOM 1027 CE MET A 63 4.360 9.697 20.988 1.00 45.34 C ATOM 0 H MET A 63 8.485 8.064 20.022 1.00 23.45 H new ATOM 0 HA MET A 63 7.264 5.559 19.815 1.00 11.10 H new ATOM 0 HB2 MET A 63 6.010 8.322 19.490 1.00 12.02 H new ATOM 0 HB3 MET A 63 5.115 6.840 19.763 1.00 12.02 H new ATOM 0 HG2 MET A 63 6.296 6.620 21.996 1.00 22.22 H new ATOM 0 HG3 MET A 63 7.006 8.198 21.720 1.00 22.22 H new ATOM 0 HE1 MET A 63 3.493 10.278 21.302 1.00 45.34 H new ATOM 0 HE2 MET A 63 5.237 10.344 20.952 1.00 45.34 H new ATOM 0 HE3 MET A 63 4.177 9.278 19.999 1.00 45.34 H new ATOM 1037 N VAL A 64 6.859 7.527 17.126 1.00 54.24 N ATOM 1038 CA VAL A 64 6.455 7.581 15.717 1.00 70.53 C ATOM 1039 C VAL A 64 7.440 6.832 14.818 1.00 41.44 C ATOM 1040 O VAL A 64 7.009 6.162 13.911 1.00 54.51 O ATOM 1041 CB VAL A 64 6.222 9.041 15.193 1.00 22.23 C ATOM 1042 CG1 VAL A 64 5.123 9.756 16.024 1.00 50.14 C ATOM 1043 CG2 VAL A 64 7.542 9.848 15.146 1.00 34.23 C ATOM 0 H VAL A 64 7.104 8.436 17.520 1.00 54.24 H new ATOM 0 HA VAL A 64 5.491 7.075 15.668 1.00 70.53 H new ATOM 0 HB VAL A 64 5.863 8.978 14.166 1.00 22.23 H new ATOM 0 HG11 VAL A 64 4.978 10.767 15.643 1.00 50.14 H new ATOM 0 HG12 VAL A 64 4.188 9.201 15.945 1.00 50.14 H new ATOM 0 HG13 VAL A 64 5.430 9.803 17.069 1.00 50.14 H new ATOM 0 HG21 VAL A 64 7.340 10.854 14.778 1.00 34.23 H new ATOM 0 HG22 VAL A 64 7.969 9.907 16.147 1.00 34.23 H new ATOM 0 HG23 VAL A 64 8.248 9.352 14.479 1.00 34.23 H new ATOM 1053 N ALA A 65 8.751 6.910 15.112 1.00 4.52 N ATOM 1054 CA ALA A 65 9.784 6.186 14.337 1.00 74.20 C ATOM 1055 C ALA A 65 9.614 4.665 14.495 1.00 71.21 C ATOM 1056 O ALA A 65 9.913 3.900 13.573 1.00 2.11 O ATOM 1057 CB ALA A 65 11.193 6.632 14.744 1.00 30.13 C ATOM 0 H ALA A 65 9.124 7.467 15.881 1.00 4.52 H new ATOM 0 HA ALA A 65 9.653 6.432 13.283 1.00 74.20 H new ATOM 0 HB1 ALA A 65 11.931 6.084 14.159 1.00 30.13 H new ATOM 0 HB2 ALA A 65 11.304 7.700 14.559 1.00 30.13 H new ATOM 0 HB3 ALA A 65 11.347 6.429 15.804 1.00 30.13 H new ATOM 1063 N GLY A 66 9.133 4.246 15.681 1.00 74.22 N ATOM 1064 CA GLY A 66 8.722 2.861 15.900 1.00 13.53 C ATOM 1065 C GLY A 66 7.555 2.474 14.999 1.00 73.11 C ATOM 1066 O GLY A 66 7.593 1.426 14.349 1.00 2.22 O ATOM 0 H GLY A 66 9.023 4.851 16.495 1.00 74.22 H new ATOM 0 HA2 GLY A 66 9.565 2.196 15.711 1.00 13.53 H new ATOM 0 HA3 GLY A 66 8.437 2.726 16.943 1.00 13.53 H new ATOM 1070 N TYR A 67 6.544 3.361 14.929 1.00 63.35 N ATOM 1071 CA TYR A 67 5.360 3.166 14.065 1.00 53.33 C ATOM 1072 C TYR A 67 5.740 3.165 12.564 1.00 73.45 C ATOM 1073 O TYR A 67 5.119 2.455 11.768 1.00 20.50 O ATOM 1074 CB TYR A 67 4.292 4.263 14.331 1.00 72.01 C ATOM 1075 CG TYR A 67 3.627 4.227 15.726 1.00 54.34 C ATOM 1076 CD1 TYR A 67 3.625 5.344 16.570 1.00 40.41 C ATOM 1077 CD2 TYR A 67 2.987 3.072 16.192 1.00 34.10 C ATOM 1078 CE1 TYR A 67 3.024 5.311 17.813 1.00 60.33 C ATOM 1079 CE2 TYR A 67 2.381 3.037 17.436 1.00 31.12 C ATOM 1080 CZ TYR A 67 2.402 4.158 18.242 1.00 23.14 C ATOM 1081 OH TYR A 67 1.801 4.130 19.482 1.00 34.42 O ATOM 0 H TYR A 67 6.523 4.228 15.465 1.00 63.35 H new ATOM 0 HA TYR A 67 4.942 2.191 14.314 1.00 53.33 H new ATOM 0 HB2 TYR A 67 4.759 5.239 14.196 1.00 72.01 H new ATOM 0 HB3 TYR A 67 3.512 4.176 13.575 1.00 72.01 H new ATOM 0 HD1 TYR A 67 4.105 6.254 16.241 1.00 40.41 H new ATOM 0 HD2 TYR A 67 2.966 2.191 15.568 1.00 34.10 H new ATOM 0 HE1 TYR A 67 3.041 6.185 18.447 1.00 60.33 H new ATOM 0 HE2 TYR A 67 1.893 2.135 17.775 1.00 31.12 H new ATOM 0 HH TYR A 67 1.407 3.246 19.635 1.00 34.42 H new ATOM 1091 N ILE A 68 6.765 3.968 12.199 1.00 71.02 N ATOM 1092 CA ILE A 68 7.265 4.056 10.816 1.00 13.45 C ATOM 1093 C ILE A 68 7.963 2.740 10.461 1.00 44.12 C ATOM 1094 O ILE A 68 7.748 2.195 9.398 1.00 11.23 O ATOM 1095 CB ILE A 68 8.268 5.266 10.578 1.00 54.24 C ATOM 1096 CG1 ILE A 68 7.628 6.639 10.948 1.00 52.55 C ATOM 1097 CG2 ILE A 68 8.749 5.299 9.106 1.00 10.12 C ATOM 1098 CD1 ILE A 68 8.569 7.841 10.889 1.00 64.45 C ATOM 0 H ILE A 68 7.264 4.569 12.855 1.00 71.02 H new ATOM 0 HA ILE A 68 6.403 4.238 10.174 1.00 13.45 H new ATOM 0 HB ILE A 68 9.121 5.102 11.236 1.00 54.24 H new ATOM 0 HG12 ILE A 68 6.790 6.822 10.275 1.00 52.55 H new ATOM 0 HG13 ILE A 68 7.219 6.569 11.956 1.00 52.55 H new ATOM 0 HG21 ILE A 68 9.434 6.135 8.966 1.00 10.12 H new ATOM 0 HG22 ILE A 68 9.261 4.366 8.870 1.00 10.12 H new ATOM 0 HG23 ILE A 68 7.890 5.419 8.445 1.00 10.12 H new ATOM 0 HD11 ILE A 68 8.024 8.744 11.164 1.00 64.45 H new ATOM 0 HD12 ILE A 68 9.395 7.691 11.584 1.00 64.45 H new ATOM 0 HD13 ILE A 68 8.960 7.947 9.877 1.00 64.45 H new ATOM 1110 N LYS A 69 8.787 2.231 11.392 1.00 60.34 N ATOM 1111 CA LYS A 69 9.539 0.972 11.204 1.00 4.41 C ATOM 1112 C LYS A 69 8.577 -0.214 11.002 1.00 64.20 C ATOM 1113 O LYS A 69 8.817 -1.082 10.147 1.00 11.41 O ATOM 1114 CB LYS A 69 10.469 0.714 12.414 1.00 41.31 C ATOM 1115 CG LYS A 69 11.360 -0.545 12.284 1.00 34.44 C ATOM 1116 CD LYS A 69 12.203 -0.813 13.549 1.00 34.05 C ATOM 1117 CE LYS A 69 11.353 -1.107 14.799 1.00 24.45 C ATOM 1118 NZ LYS A 69 12.209 -1.343 15.993 1.00 73.50 N ATOM 0 H LYS A 69 8.953 2.677 12.294 1.00 60.34 H new ATOM 0 HA LYS A 69 10.152 1.070 10.308 1.00 4.41 H new ATOM 0 HB2 LYS A 69 11.110 1.584 12.555 1.00 41.31 H new ATOM 0 HB3 LYS A 69 9.858 0.620 13.312 1.00 41.31 H new ATOM 0 HG2 LYS A 69 10.730 -1.411 12.082 1.00 34.44 H new ATOM 0 HG3 LYS A 69 12.024 -0.428 11.428 1.00 34.44 H new ATOM 0 HD2 LYS A 69 12.866 -1.658 13.363 1.00 34.05 H new ATOM 0 HD3 LYS A 69 12.836 0.052 13.745 1.00 34.05 H new ATOM 0 HE2 LYS A 69 10.682 -0.270 14.990 1.00 24.45 H new ATOM 0 HE3 LYS A 69 10.728 -1.982 14.619 1.00 24.45 H new ATOM 0 HZ1 LYS A 69 11.607 -1.538 16.818 1.00 73.50 H new ATOM 0 HZ2 LYS A 69 12.832 -2.157 15.818 1.00 73.50 H new ATOM 0 HZ3 LYS A 69 12.787 -0.499 16.178 1.00 73.50 H new ATOM 1132 N GLN A 70 7.477 -0.218 11.781 1.00 11.44 N ATOM 1133 CA GLN A 70 6.421 -1.237 11.673 1.00 3.55 C ATOM 1134 C GLN A 70 5.762 -1.182 10.295 1.00 42.21 C ATOM 1135 O GLN A 70 5.636 -2.200 9.614 1.00 32.25 O ATOM 1136 CB GLN A 70 5.333 -1.030 12.750 1.00 45.51 C ATOM 1137 CG GLN A 70 5.795 -1.208 14.204 1.00 53.30 C ATOM 1138 CD GLN A 70 4.655 -1.078 15.224 1.00 73.24 C ATOM 1139 OE1 GLN A 70 3.460 -1.542 14.860 1.00 43.34 O flip ATOM 1140 NE2 GLN A 70 4.853 -0.599 16.343 1.00 21.00 N flip ATOM 0 H GLN A 70 7.299 0.484 12.499 1.00 11.44 H new ATOM 0 HA GLN A 70 6.892 -2.209 11.821 1.00 3.55 H new ATOM 0 HB2 GLN A 70 4.923 -0.026 12.638 1.00 45.51 H new ATOM 0 HB3 GLN A 70 4.520 -1.730 12.558 1.00 45.51 H new ATOM 0 HG2 GLN A 70 6.260 -2.188 14.313 1.00 53.30 H new ATOM 0 HG3 GLN A 70 6.560 -0.465 14.428 1.00 53.30 H new ATOM 0 HE21 GLN A 70 5.779 -0.252 16.593 1.00 21.00 H new ATOM 0 HE22 GLN A 70 4.091 -0.550 17.019 1.00 21.00 H new ATOM 1149 N THR A 71 5.372 0.037 9.896 1.00 61.51 N ATOM 1150 CA THR A 71 4.625 0.263 8.657 1.00 62.14 C ATOM 1151 C THR A 71 5.505 -0.013 7.423 1.00 13.51 C ATOM 1152 O THR A 71 5.005 -0.447 6.400 1.00 45.40 O ATOM 1153 CB THR A 71 3.993 1.701 8.613 1.00 3.32 C ATOM 1154 OG1 THR A 71 2.833 1.685 7.789 1.00 14.02 O ATOM 1155 CG2 THR A 71 4.944 2.795 8.095 1.00 43.12 C ATOM 0 H THR A 71 5.566 0.889 10.423 1.00 61.51 H new ATOM 0 HA THR A 71 3.797 -0.446 8.636 1.00 62.14 H new ATOM 0 HB THR A 71 3.755 1.952 9.647 1.00 3.32 H new ATOM 0 HG1 THR A 71 2.032 1.669 8.353 1.00 14.02 H new ATOM 0 HG21 THR A 71 4.429 3.756 8.097 1.00 43.12 H new ATOM 0 HG22 THR A 71 5.820 2.852 8.741 1.00 43.12 H new ATOM 0 HG23 THR A 71 5.257 2.554 7.079 1.00 43.12 H new ATOM 1163 N LEU A 72 6.828 0.214 7.569 1.00 43.31 N ATOM 1164 CA LEU A 72 7.835 -0.094 6.534 1.00 13.40 C ATOM 1165 C LEU A 72 7.973 -1.595 6.347 1.00 30.14 C ATOM 1166 O LEU A 72 8.149 -2.058 5.235 1.00 43.25 O ATOM 1167 CB LEU A 72 9.223 0.500 6.896 1.00 34.24 C ATOM 1168 CG LEU A 72 9.360 2.044 6.799 1.00 20.13 C ATOM 1169 CD1 LEU A 72 10.706 2.526 7.395 1.00 53.25 C ATOM 1170 CD2 LEU A 72 9.164 2.508 5.340 1.00 5.41 C ATOM 0 H LEU A 72 7.229 0.619 8.415 1.00 43.31 H new ATOM 0 HA LEU A 72 7.488 0.360 5.606 1.00 13.40 H new ATOM 0 HB2 LEU A 72 9.469 0.199 7.914 1.00 34.24 H new ATOM 0 HB3 LEU A 72 9.969 0.049 6.241 1.00 34.24 H new ATOM 0 HG LEU A 72 8.574 2.504 7.398 1.00 20.13 H new ATOM 0 HD11 LEU A 72 10.773 3.611 7.313 1.00 53.25 H new ATOM 0 HD12 LEU A 72 10.763 2.238 8.445 1.00 53.25 H new ATOM 0 HD13 LEU A 72 11.531 2.069 6.848 1.00 53.25 H new ATOM 0 HD21 LEU A 72 9.263 3.592 5.287 1.00 5.41 H new ATOM 0 HD22 LEU A 72 9.919 2.043 4.706 1.00 5.41 H new ATOM 0 HD23 LEU A 72 8.172 2.217 4.996 1.00 5.41 H new ATOM 1182 N ASP A 73 7.930 -2.329 7.460 1.00 52.14 N ATOM 1183 CA ASP A 73 8.010 -3.800 7.460 1.00 1.34 C ATOM 1184 C ASP A 73 6.810 -4.390 6.705 1.00 33.34 C ATOM 1185 O ASP A 73 6.972 -5.206 5.787 1.00 31.12 O ATOM 1186 CB ASP A 73 8.049 -4.325 8.918 1.00 42.34 C ATOM 1187 CG ASP A 73 8.122 -5.861 9.024 1.00 20.24 C ATOM 1188 OD1 ASP A 73 7.061 -6.525 9.030 1.00 31.25 O ATOM 1189 OD2 ASP A 73 9.241 -6.409 9.072 1.00 43.44 O ATOM 0 H ASP A 73 7.839 -1.924 8.392 1.00 52.14 H new ATOM 0 HA ASP A 73 8.924 -4.111 6.954 1.00 1.34 H new ATOM 0 HB2 ASP A 73 8.911 -3.894 9.427 1.00 42.34 H new ATOM 0 HB3 ASP A 73 7.161 -3.976 9.444 1.00 42.34 H new ATOM 1194 N ASN A 74 5.616 -3.926 7.095 1.00 1.13 N ATOM 1195 CA ASN A 74 4.338 -4.381 6.532 1.00 73.11 C ATOM 1196 C ASN A 74 4.256 -4.052 5.036 1.00 72.22 C ATOM 1197 O ASN A 74 3.910 -4.902 4.225 1.00 11.24 O ATOM 1198 CB ASN A 74 3.147 -3.729 7.291 1.00 11.20 C ATOM 1199 CG ASN A 74 3.148 -3.968 8.813 1.00 63.30 C ATOM 1200 OD1 ASN A 74 3.619 -5.126 9.263 1.00 21.13 O flip ATOM 1201 ND2 ASN A 74 2.709 -3.118 9.589 1.00 2.34 N flip ATOM 0 H ASN A 74 5.509 -3.216 7.819 1.00 1.13 H new ATOM 0 HA ASN A 74 4.280 -5.463 6.651 1.00 73.11 H new ATOM 0 HB2 ASN A 74 3.159 -2.655 7.105 1.00 11.20 H new ATOM 0 HB3 ASN A 74 2.215 -4.114 6.877 1.00 11.20 H new ATOM 0 HD21 ASN A 74 2.351 -2.234 9.228 1.00 2.34 H new ATOM 0 HD22 ASN A 74 2.704 -3.298 10.593 1.00 2.34 H new ATOM 1208 N GLU A 75 4.645 -2.816 4.695 1.00 74.53 N ATOM 1209 CA GLU A 75 4.577 -2.274 3.327 1.00 22.02 C ATOM 1210 C GLU A 75 5.725 -2.808 2.442 1.00 13.32 C ATOM 1211 O GLU A 75 5.626 -2.787 1.214 1.00 0.51 O ATOM 1212 CB GLU A 75 4.549 -0.735 3.409 1.00 30.25 C ATOM 1213 CG GLU A 75 4.345 0.015 2.087 1.00 54.25 C ATOM 1214 CD GLU A 75 4.037 1.504 2.310 1.00 53.33 C ATOM 1215 OE1 GLU A 75 2.888 1.934 2.060 1.00 10.02 O ATOM 1216 OE2 GLU A 75 4.911 2.245 2.802 1.00 33.35 O ATOM 0 H GLU A 75 5.022 -2.152 5.371 1.00 74.53 H new ATOM 0 HA GLU A 75 3.662 -2.612 2.841 1.00 22.02 H new ATOM 0 HB2 GLU A 75 3.752 -0.444 4.093 1.00 30.25 H new ATOM 0 HB3 GLU A 75 5.487 -0.399 3.851 1.00 30.25 H new ATOM 0 HG2 GLU A 75 5.241 -0.082 1.474 1.00 54.25 H new ATOM 0 HG3 GLU A 75 3.527 -0.445 1.532 1.00 54.25 H new ATOM 1223 N GLN A 76 6.809 -3.290 3.077 1.00 31.33 N ATOM 1224 CA GLN A 76 7.905 -4.005 2.383 1.00 13.54 C ATOM 1225 C GLN A 76 7.402 -5.375 1.900 1.00 43.22 C ATOM 1226 O GLN A 76 7.709 -5.816 0.781 1.00 25.31 O ATOM 1227 CB GLN A 76 9.129 -4.185 3.319 1.00 12.31 C ATOM 1228 CG GLN A 76 10.347 -4.880 2.676 1.00 32.01 C ATOM 1229 CD GLN A 76 11.544 -5.080 3.619 1.00 64.34 C ATOM 1230 OE1 GLN A 76 12.695 -5.074 3.185 1.00 4.33 O ATOM 1231 NE2 GLN A 76 11.294 -5.286 4.911 1.00 14.12 N ATOM 0 H GLN A 76 6.953 -3.197 4.082 1.00 31.33 H new ATOM 0 HA GLN A 76 8.220 -3.411 1.525 1.00 13.54 H new ATOM 0 HB2 GLN A 76 9.438 -3.204 3.680 1.00 12.31 H new ATOM 0 HB3 GLN A 76 8.819 -4.762 4.190 1.00 12.31 H new ATOM 0 HG2 GLN A 76 10.035 -5.853 2.296 1.00 32.01 H new ATOM 0 HG3 GLN A 76 10.672 -4.292 1.818 1.00 32.01 H new ATOM 0 HE21 GLN A 76 10.332 -5.287 5.250 1.00 14.12 H new ATOM 0 HE22 GLN A 76 12.064 -5.443 5.561 1.00 14.12 H new ATOM 1240 N LEU A 77 6.615 -6.028 2.769 1.00 52.52 N ATOM 1241 CA LEU A 77 5.952 -7.298 2.454 1.00 14.33 C ATOM 1242 C LEU A 77 4.839 -7.084 1.419 1.00 14.33 C ATOM 1243 O LEU A 77 4.656 -7.921 0.555 1.00 1.05 O ATOM 1244 CB LEU A 77 5.392 -7.961 3.741 1.00 74.24 C ATOM 1245 CG LEU A 77 6.445 -8.335 4.825 1.00 25.44 C ATOM 1246 CD1 LEU A 77 5.776 -8.955 6.075 1.00 31.33 C ATOM 1247 CD2 LEU A 77 7.537 -9.260 4.238 1.00 23.51 C ATOM 0 H LEU A 77 6.422 -5.688 3.711 1.00 52.52 H new ATOM 0 HA LEU A 77 6.692 -7.973 2.023 1.00 14.33 H new ATOM 0 HB2 LEU A 77 4.663 -7.285 4.188 1.00 74.24 H new ATOM 0 HB3 LEU A 77 4.855 -8.866 3.456 1.00 74.24 H new ATOM 0 HG LEU A 77 6.933 -7.416 5.150 1.00 25.44 H new ATOM 0 HD11 LEU A 77 6.540 -9.204 6.811 1.00 31.33 H new ATOM 0 HD12 LEU A 77 5.077 -8.239 6.506 1.00 31.33 H new ATOM 0 HD13 LEU A 77 5.239 -9.860 5.789 1.00 31.33 H new ATOM 0 HD21 LEU A 77 8.261 -9.507 5.015 1.00 23.51 H new ATOM 0 HD22 LEU A 77 7.077 -10.176 3.866 1.00 23.51 H new ATOM 0 HD23 LEU A 77 8.044 -8.750 3.419 1.00 23.51 H new ATOM 1259 N LEU A 78 4.115 -5.950 1.510 1.00 42.34 N ATOM 1260 CA LEU A 78 3.101 -5.557 0.504 1.00 20.44 C ATOM 1261 C LEU A 78 3.770 -5.325 -0.855 1.00 52.41 C ATOM 1262 O LEU A 78 3.222 -5.679 -1.888 1.00 62.54 O ATOM 1263 CB LEU A 78 2.353 -4.266 0.921 1.00 25.34 C ATOM 1264 CG LEU A 78 1.460 -4.347 2.190 1.00 4.34 C ATOM 1265 CD1 LEU A 78 0.957 -2.940 2.588 1.00 41.21 C ATOM 1266 CD2 LEU A 78 0.293 -5.348 1.992 1.00 34.22 C ATOM 0 H LEU A 78 4.214 -5.284 2.276 1.00 42.34 H new ATOM 0 HA LEU A 78 2.379 -6.371 0.435 1.00 20.44 H new ATOM 0 HB2 LEU A 78 3.093 -3.481 1.077 1.00 25.34 H new ATOM 0 HB3 LEU A 78 1.727 -3.952 0.086 1.00 25.34 H new ATOM 0 HG LEU A 78 2.064 -4.726 3.014 1.00 4.34 H new ATOM 0 HD11 LEU A 78 0.333 -3.015 3.479 1.00 41.21 H new ATOM 0 HD12 LEU A 78 1.810 -2.294 2.796 1.00 41.21 H new ATOM 0 HD13 LEU A 78 0.373 -2.518 1.770 1.00 41.21 H new ATOM 0 HD21 LEU A 78 -0.314 -5.383 2.897 1.00 34.22 H new ATOM 0 HD22 LEU A 78 -0.324 -5.026 1.153 1.00 34.22 H new ATOM 0 HD23 LEU A 78 0.695 -6.340 1.787 1.00 34.22 H new ATOM 1278 N LYS A 79 4.957 -4.714 -0.828 1.00 42.23 N ATOM 1279 CA LYS A 79 5.753 -4.436 -2.034 1.00 11.21 C ATOM 1280 C LYS A 79 6.038 -5.745 -2.788 1.00 13.23 C ATOM 1281 O LYS A 79 5.648 -5.897 -3.947 1.00 71.23 O ATOM 1282 CB LYS A 79 7.065 -3.699 -1.654 1.00 44.40 C ATOM 1283 CG LYS A 79 8.025 -3.419 -2.826 1.00 55.44 C ATOM 1284 CD LYS A 79 9.329 -2.749 -2.356 1.00 42.20 C ATOM 1285 CE LYS A 79 10.404 -2.685 -3.447 1.00 33.41 C ATOM 1286 NZ LYS A 79 9.977 -1.874 -4.609 1.00 33.10 N ATOM 0 H LYS A 79 5.399 -4.395 0.034 1.00 42.23 H new ATOM 0 HA LYS A 79 5.187 -3.782 -2.697 1.00 11.21 H new ATOM 0 HB2 LYS A 79 6.806 -2.751 -1.183 1.00 44.40 H new ATOM 0 HB3 LYS A 79 7.593 -4.292 -0.907 1.00 44.40 H new ATOM 0 HG2 LYS A 79 8.261 -4.355 -3.333 1.00 55.44 H new ATOM 0 HG3 LYS A 79 7.530 -2.777 -3.555 1.00 55.44 H new ATOM 0 HD2 LYS A 79 9.107 -1.738 -2.014 1.00 42.20 H new ATOM 0 HD3 LYS A 79 9.722 -3.296 -1.499 1.00 42.20 H new ATOM 0 HE2 LYS A 79 11.318 -2.264 -3.029 1.00 33.41 H new ATOM 0 HE3 LYS A 79 10.642 -3.695 -3.780 1.00 33.41 H new ATOM 0 HZ1 LYS A 79 10.801 -1.382 -5.010 1.00 33.10 H new ATOM 0 HZ2 LYS A 79 9.559 -2.495 -5.331 1.00 33.10 H new ATOM 0 HZ3 LYS A 79 9.271 -1.174 -4.303 1.00 33.10 H new ATOM 1300 N GLY A 80 6.646 -6.705 -2.075 1.00 24.41 N ATOM 1301 CA GLY A 80 6.999 -8.005 -2.650 1.00 15.41 C ATOM 1302 C GLY A 80 5.779 -8.822 -3.065 1.00 45.53 C ATOM 1303 O GLY A 80 5.637 -9.172 -4.235 1.00 64.21 O ATOM 0 H GLY A 80 6.903 -6.601 -1.094 1.00 24.41 H new ATOM 0 HA2 GLY A 80 7.639 -7.851 -3.519 1.00 15.41 H new ATOM 0 HA3 GLY A 80 7.580 -8.573 -1.923 1.00 15.41 H new ATOM 1307 N LEU A 81 4.893 -9.066 -2.087 1.00 32.14 N ATOM 1308 CA LEU A 81 3.679 -9.909 -2.231 1.00 4.43 C ATOM 1309 C LEU A 81 2.779 -9.391 -3.368 1.00 42.21 C ATOM 1310 O LEU A 81 2.524 -10.117 -4.323 1.00 32.00 O ATOM 1311 CB LEU A 81 2.927 -9.959 -0.852 1.00 55.03 C ATOM 1312 CG LEU A 81 1.758 -10.991 -0.639 1.00 23.32 C ATOM 1313 CD1 LEU A 81 1.467 -11.172 0.875 1.00 4.00 C ATOM 1314 CD2 LEU A 81 0.455 -10.595 -1.375 1.00 42.20 C ATOM 0 H LEU A 81 4.996 -8.677 -1.150 1.00 32.14 H new ATOM 0 HA LEU A 81 3.965 -10.924 -2.506 1.00 4.43 H new ATOM 0 HB2 LEU A 81 3.673 -10.149 -0.081 1.00 55.03 H new ATOM 0 HB3 LEU A 81 2.522 -8.964 -0.666 1.00 55.03 H new ATOM 0 HG LEU A 81 2.097 -11.933 -1.071 1.00 23.32 H new ATOM 0 HD11 LEU A 81 0.656 -11.889 1.007 1.00 4.00 H new ATOM 0 HD12 LEU A 81 2.362 -11.541 1.376 1.00 4.00 H new ATOM 0 HD13 LEU A 81 1.178 -10.214 1.307 1.00 4.00 H new ATOM 0 HD21 LEU A 81 -0.311 -11.347 -1.188 1.00 42.20 H new ATOM 0 HD22 LEU A 81 0.111 -9.627 -1.010 1.00 42.20 H new ATOM 0 HD23 LEU A 81 0.647 -10.531 -2.446 1.00 42.20 H new ATOM 1326 N LEU A 82 2.332 -8.125 -3.267 1.00 32.23 N ATOM 1327 CA LEU A 82 1.377 -7.548 -4.232 1.00 34.55 C ATOM 1328 C LEU A 82 2.001 -7.423 -5.638 1.00 3.14 C ATOM 1329 O LEU A 82 1.301 -7.631 -6.618 1.00 71.21 O ATOM 1330 CB LEU A 82 0.820 -6.173 -3.757 1.00 42.15 C ATOM 1331 CG LEU A 82 0.096 -6.148 -2.365 1.00 35.31 C ATOM 1332 CD1 LEU A 82 -0.429 -4.729 -2.020 1.00 5.11 C ATOM 1333 CD2 LEU A 82 -1.029 -7.197 -2.300 1.00 43.03 C ATOM 0 H LEU A 82 2.617 -7.483 -2.528 1.00 32.23 H new ATOM 0 HA LEU A 82 0.537 -8.241 -4.290 1.00 34.55 H new ATOM 0 HB2 LEU A 82 1.647 -5.464 -3.723 1.00 42.15 H new ATOM 0 HB3 LEU A 82 0.121 -5.811 -4.511 1.00 42.15 H new ATOM 0 HG LEU A 82 0.835 -6.412 -1.608 1.00 35.31 H new ATOM 0 HD11 LEU A 82 -0.924 -4.750 -1.049 1.00 5.11 H new ATOM 0 HD12 LEU A 82 0.407 -4.030 -1.986 1.00 5.11 H new ATOM 0 HD13 LEU A 82 -1.139 -4.408 -2.783 1.00 5.11 H new ATOM 0 HD21 LEU A 82 -1.511 -7.154 -1.323 1.00 43.03 H new ATOM 0 HD22 LEU A 82 -1.765 -6.990 -3.077 1.00 43.03 H new ATOM 0 HD23 LEU A 82 -0.609 -8.191 -2.454 1.00 43.03 H new ATOM 1345 N GLN A 83 3.318 -7.101 -5.733 1.00 45.44 N ATOM 1346 CA GLN A 83 4.020 -7.028 -7.049 1.00 44.23 C ATOM 1347 C GLN A 83 4.073 -8.407 -7.728 1.00 45.11 C ATOM 1348 O GLN A 83 3.908 -8.512 -8.953 1.00 50.35 O ATOM 1349 CB GLN A 83 5.444 -6.448 -6.890 1.00 44.23 C ATOM 1350 CG GLN A 83 6.209 -6.224 -8.213 1.00 64.53 C ATOM 1351 CD GLN A 83 7.620 -5.651 -8.034 1.00 0.24 C ATOM 1352 OE1 GLN A 83 8.298 -6.002 -6.944 1.00 11.41 O flip ATOM 1353 NE2 GLN A 83 8.109 -4.909 -8.885 1.00 32.11 N flip ATOM 0 H GLN A 83 3.910 -6.890 -4.930 1.00 45.44 H new ATOM 0 HA GLN A 83 3.448 -6.356 -7.688 1.00 44.23 H new ATOM 0 HB2 GLN A 83 5.376 -5.497 -6.362 1.00 44.23 H new ATOM 0 HB3 GLN A 83 6.026 -7.121 -6.261 1.00 44.23 H new ATOM 0 HG2 GLN A 83 6.279 -7.173 -8.744 1.00 64.53 H new ATOM 0 HG3 GLN A 83 5.632 -5.548 -8.843 1.00 64.53 H new ATOM 0 HE21 GLN A 83 7.568 -4.655 -9.712 1.00 32.11 H new ATOM 0 HE22 GLN A 83 9.055 -4.548 -8.764 1.00 32.11 H new ATOM 1362 N GLN A 84 4.299 -9.454 -6.918 1.00 11.44 N ATOM 1363 CA GLN A 84 4.260 -10.854 -7.384 1.00 10.21 C ATOM 1364 C GLN A 84 2.870 -11.186 -7.931 1.00 72.41 C ATOM 1365 O GLN A 84 2.742 -11.717 -9.032 1.00 61.22 O ATOM 1366 CB GLN A 84 4.634 -11.828 -6.236 1.00 2.41 C ATOM 1367 CG GLN A 84 6.119 -11.807 -5.811 1.00 54.31 C ATOM 1368 CD GLN A 84 6.436 -12.621 -4.540 1.00 62.43 C ATOM 1369 OE1 GLN A 84 7.368 -12.295 -3.801 1.00 74.54 O ATOM 1370 NE2 GLN A 84 5.671 -13.678 -4.260 1.00 42.11 N ATOM 0 H GLN A 84 4.513 -9.357 -5.925 1.00 11.44 H new ATOM 0 HA GLN A 84 4.993 -10.972 -8.182 1.00 10.21 H new ATOM 0 HB2 GLN A 84 4.021 -11.591 -5.366 1.00 2.41 H new ATOM 0 HB3 GLN A 84 4.375 -12.841 -6.542 1.00 2.41 H new ATOM 0 HG2 GLN A 84 6.724 -12.191 -6.633 1.00 54.31 H new ATOM 0 HG3 GLN A 84 6.422 -10.773 -5.649 1.00 54.31 H new ATOM 0 HE21 GLN A 84 4.905 -13.932 -4.883 1.00 42.11 H new ATOM 0 HE22 GLN A 84 5.853 -14.232 -3.423 1.00 42.11 H new ATOM 1379 N ARG A 85 1.841 -10.816 -7.155 1.00 24.21 N ATOM 1380 CA ARG A 85 0.433 -11.019 -7.519 1.00 1.34 C ATOM 1381 C ARG A 85 0.103 -10.345 -8.862 1.00 60.52 C ATOM 1382 O ARG A 85 -0.503 -10.962 -9.719 1.00 4.00 O ATOM 1383 CB ARG A 85 -0.492 -10.460 -6.408 1.00 55.41 C ATOM 1384 CG ARG A 85 -0.385 -11.165 -5.035 1.00 73.41 C ATOM 1385 CD ARG A 85 -1.162 -12.495 -4.953 1.00 43.44 C ATOM 1386 NE ARG A 85 -0.677 -13.551 -5.870 1.00 74.41 N ATOM 1387 CZ ARG A 85 -1.403 -14.630 -6.252 1.00 62.23 C ATOM 1388 NH1 ARG A 85 -2.650 -14.805 -5.800 1.00 12.43 N ATOM 1389 NH2 ARG A 85 -0.873 -15.532 -7.063 1.00 22.44 N ATOM 0 H ARG A 85 1.965 -10.364 -6.249 1.00 24.21 H new ATOM 0 HA ARG A 85 0.264 -12.091 -7.624 1.00 1.34 H new ATOM 0 HB2 ARG A 85 -0.269 -9.402 -6.272 1.00 55.41 H new ATOM 0 HB3 ARG A 85 -1.524 -10.526 -6.751 1.00 55.41 H new ATOM 0 HG2 ARG A 85 0.666 -11.355 -4.816 1.00 73.41 H new ATOM 0 HG3 ARG A 85 -0.755 -10.491 -4.262 1.00 73.41 H new ATOM 0 HD2 ARG A 85 -1.110 -12.868 -3.930 1.00 43.44 H new ATOM 0 HD3 ARG A 85 -2.213 -12.300 -5.168 1.00 43.44 H new ATOM 0 HE ARG A 85 0.269 -13.460 -6.240 1.00 74.41 H new ATOM 0 HH11 ARG A 85 -3.062 -14.123 -5.163 1.00 12.43 H new ATOM 0 HH12 ARG A 85 -3.189 -15.620 -6.093 1.00 12.43 H new ATOM 0 HH21 ARG A 85 0.082 -15.415 -7.401 1.00 22.44 H new ATOM 0 HH22 ARG A 85 -1.420 -16.344 -7.350 1.00 22.44 H new ATOM 1403 N LEU A 86 0.549 -9.086 -9.029 1.00 10.52 N ATOM 1404 CA LEU A 86 0.291 -8.278 -10.243 1.00 71.52 C ATOM 1405 C LEU A 86 1.003 -8.864 -11.467 1.00 23.32 C ATOM 1406 O LEU A 86 0.509 -8.749 -12.583 1.00 43.11 O ATOM 1407 CB LEU A 86 0.741 -6.808 -10.023 1.00 1.10 C ATOM 1408 CG LEU A 86 -0.028 -6.021 -8.922 1.00 60.50 C ATOM 1409 CD1 LEU A 86 0.524 -4.586 -8.767 1.00 2.00 C ATOM 1410 CD2 LEU A 86 -1.538 -6.031 -9.201 1.00 5.41 C ATOM 0 H LEU A 86 1.101 -8.596 -8.325 1.00 10.52 H new ATOM 0 HA LEU A 86 -0.782 -8.299 -10.431 1.00 71.52 H new ATOM 0 HB2 LEU A 86 1.801 -6.807 -9.770 1.00 1.10 H new ATOM 0 HB3 LEU A 86 0.637 -6.271 -10.966 1.00 1.10 H new ATOM 0 HG LEU A 86 0.132 -6.525 -7.969 1.00 60.50 H new ATOM 0 HD11 LEU A 86 -0.034 -4.063 -7.991 1.00 2.00 H new ATOM 0 HD12 LEU A 86 1.577 -4.629 -8.490 1.00 2.00 H new ATOM 0 HD13 LEU A 86 0.419 -4.052 -9.711 1.00 2.00 H new ATOM 0 HD21 LEU A 86 -2.056 -5.475 -8.419 1.00 5.41 H new ATOM 0 HD22 LEU A 86 -1.733 -5.565 -10.167 1.00 5.41 H new ATOM 0 HD23 LEU A 86 -1.899 -7.060 -9.215 1.00 5.41 H new ATOM 1422 N ASP A 87 2.169 -9.479 -11.235 1.00 3.42 N ATOM 1423 CA ASP A 87 2.965 -10.119 -12.302 1.00 44.35 C ATOM 1424 C ASP A 87 2.225 -11.345 -12.844 1.00 72.13 C ATOM 1425 O ASP A 87 2.066 -11.520 -14.063 1.00 44.23 O ATOM 1426 CB ASP A 87 4.366 -10.510 -11.763 1.00 24.54 C ATOM 1427 CG ASP A 87 5.307 -11.068 -12.846 1.00 13.10 C ATOM 1428 OD1 ASP A 87 5.360 -12.303 -13.032 1.00 2.21 O ATOM 1429 OD2 ASP A 87 5.974 -10.267 -13.534 1.00 15.54 O ATOM 0 H ASP A 87 2.590 -9.550 -10.309 1.00 3.42 H new ATOM 0 HA ASP A 87 3.101 -9.411 -13.120 1.00 44.35 H new ATOM 0 HB2 ASP A 87 4.828 -9.635 -11.307 1.00 24.54 H new ATOM 0 HB3 ASP A 87 4.249 -11.255 -10.976 1.00 24.54 H new ATOM 1434 N GLU A 88 1.747 -12.162 -11.906 1.00 53.41 N ATOM 1435 CA GLU A 88 0.992 -13.380 -12.200 1.00 25.15 C ATOM 1436 C GLU A 88 -0.351 -13.032 -12.874 1.00 23.35 C ATOM 1437 O GLU A 88 -0.717 -13.648 -13.872 1.00 60.23 O ATOM 1438 CB GLU A 88 0.773 -14.175 -10.885 1.00 73.05 C ATOM 1439 CG GLU A 88 2.086 -14.627 -10.187 1.00 34.13 C ATOM 1440 CD GLU A 88 1.882 -15.184 -8.762 1.00 61.32 C ATOM 1441 OE1 GLU A 88 1.908 -16.421 -8.571 1.00 43.05 O ATOM 1442 OE2 GLU A 88 1.687 -14.383 -7.816 1.00 4.13 O ATOM 0 H GLU A 88 1.875 -11.995 -10.908 1.00 53.41 H new ATOM 0 HA GLU A 88 1.556 -14.001 -12.896 1.00 25.15 H new ATOM 0 HB2 GLU A 88 0.200 -13.559 -10.192 1.00 73.05 H new ATOM 0 HB3 GLU A 88 0.169 -15.056 -11.103 1.00 73.05 H new ATOM 0 HG2 GLU A 88 2.566 -15.391 -10.799 1.00 34.13 H new ATOM 0 HG3 GLU A 88 2.770 -13.780 -10.140 1.00 34.13 H new ATOM 1449 N LEU A 89 -1.046 -12.006 -12.335 1.00 42.13 N ATOM 1450 CA LEU A 89 -2.340 -11.528 -12.867 1.00 13.43 C ATOM 1451 C LEU A 89 -2.169 -10.953 -14.279 1.00 11.20 C ATOM 1452 O LEU A 89 -3.004 -11.196 -15.131 1.00 61.23 O ATOM 1453 CB LEU A 89 -2.991 -10.466 -11.928 1.00 20.44 C ATOM 1454 CG LEU A 89 -3.523 -10.985 -10.548 1.00 11.31 C ATOM 1455 CD1 LEU A 89 -4.059 -9.817 -9.676 1.00 32.33 C ATOM 1456 CD2 LEU A 89 -4.591 -12.091 -10.743 1.00 13.31 C ATOM 0 H LEU A 89 -0.725 -11.486 -11.518 1.00 42.13 H new ATOM 0 HA LEU A 89 -3.008 -12.388 -12.916 1.00 13.43 H new ATOM 0 HB2 LEU A 89 -2.257 -9.683 -11.738 1.00 20.44 H new ATOM 0 HB3 LEU A 89 -3.821 -10.002 -12.461 1.00 20.44 H new ATOM 0 HG LEU A 89 -2.685 -11.431 -10.012 1.00 11.31 H new ATOM 0 HD11 LEU A 89 -4.421 -10.209 -8.725 1.00 32.33 H new ATOM 0 HD12 LEU A 89 -3.257 -9.102 -9.492 1.00 32.33 H new ATOM 0 HD13 LEU A 89 -4.876 -9.319 -10.198 1.00 32.33 H new ATOM 0 HD21 LEU A 89 -4.943 -12.433 -9.770 1.00 13.31 H new ATOM 0 HD22 LEU A 89 -5.430 -11.690 -11.312 1.00 13.31 H new ATOM 0 HD23 LEU A 89 -4.152 -12.929 -11.285 1.00 13.31 H new ATOM 1468 N SER A 90 -1.072 -10.219 -14.515 1.00 33.33 N ATOM 1469 CA SER A 90 -0.770 -9.604 -15.832 1.00 4.25 C ATOM 1470 C SER A 90 -0.559 -10.695 -16.906 1.00 2.33 C ATOM 1471 O SER A 90 -1.000 -10.554 -18.057 1.00 64.03 O ATOM 1472 CB SER A 90 0.483 -8.703 -15.725 1.00 25.11 C ATOM 1473 OG SER A 90 0.715 -7.955 -16.914 1.00 1.22 O ATOM 0 H SER A 90 -0.365 -10.030 -13.804 1.00 33.33 H new ATOM 0 HA SER A 90 -1.619 -8.989 -16.131 1.00 4.25 H new ATOM 0 HB2 SER A 90 0.365 -8.018 -14.885 1.00 25.11 H new ATOM 0 HB3 SER A 90 1.355 -9.321 -15.512 1.00 25.11 H new ATOM 0 HG SER A 90 1.515 -7.400 -16.800 1.00 1.22 H new ATOM 1479 N SER A 91 0.113 -11.782 -16.492 1.00 42.34 N ATOM 1480 CA SER A 91 0.349 -12.960 -17.338 1.00 71.11 C ATOM 1481 C SER A 91 -0.978 -13.693 -17.635 1.00 61.22 C ATOM 1482 O SER A 91 -1.184 -14.199 -18.744 1.00 23.32 O ATOM 1483 CB SER A 91 1.353 -13.904 -16.638 1.00 21.24 C ATOM 1484 OG SER A 91 1.715 -14.996 -17.474 1.00 22.22 O ATOM 0 H SER A 91 0.509 -11.867 -15.556 1.00 42.34 H new ATOM 0 HA SER A 91 0.770 -12.637 -18.290 1.00 71.11 H new ATOM 0 HB2 SER A 91 2.247 -13.345 -16.361 1.00 21.24 H new ATOM 0 HB3 SER A 91 0.915 -14.282 -15.714 1.00 21.24 H new ATOM 0 HG SER A 91 2.352 -15.572 -17.002 1.00 22.22 H new ATOM 1490 N LEU A 92 -1.870 -13.729 -16.624 1.00 70.54 N ATOM 1491 CA LEU A 92 -3.210 -14.329 -16.750 1.00 34.24 C ATOM 1492 C LEU A 92 -4.079 -13.516 -17.728 1.00 63.04 C ATOM 1493 O LEU A 92 -4.750 -14.101 -18.569 1.00 53.15 O ATOM 1494 CB LEU A 92 -3.900 -14.450 -15.354 1.00 52.43 C ATOM 1495 CG LEU A 92 -3.241 -15.452 -14.346 1.00 12.03 C ATOM 1496 CD1 LEU A 92 -3.893 -15.375 -12.940 1.00 20.14 C ATOM 1497 CD2 LEU A 92 -3.269 -16.892 -14.907 1.00 74.52 C ATOM 0 H LEU A 92 -1.680 -13.343 -15.699 1.00 70.54 H new ATOM 0 HA LEU A 92 -3.097 -15.335 -17.154 1.00 34.24 H new ATOM 0 HB2 LEU A 92 -3.919 -13.462 -14.893 1.00 52.43 H new ATOM 0 HB3 LEU A 92 -4.937 -14.750 -15.508 1.00 52.43 H new ATOM 0 HG LEU A 92 -2.199 -15.158 -14.224 1.00 12.03 H new ATOM 0 HD11 LEU A 92 -3.405 -16.086 -12.273 1.00 20.14 H new ATOM 0 HD12 LEU A 92 -3.779 -14.367 -12.541 1.00 20.14 H new ATOM 0 HD13 LEU A 92 -4.953 -15.617 -13.017 1.00 20.14 H new ATOM 0 HD21 LEU A 92 -2.806 -17.571 -14.191 1.00 74.52 H new ATOM 0 HD22 LEU A 92 -4.302 -17.195 -15.079 1.00 74.52 H new ATOM 0 HD23 LEU A 92 -2.719 -16.927 -15.847 1.00 74.52 H new ATOM 1509 N ILE A 93 -4.016 -12.168 -17.632 1.00 71.33 N ATOM 1510 CA ILE A 93 -4.784 -11.239 -18.501 1.00 61.00 C ATOM 1511 C ILE A 93 -4.319 -11.379 -19.962 1.00 55.41 C ATOM 1512 O ILE A 93 -5.134 -11.341 -20.887 1.00 65.23 O ATOM 1513 CB ILE A 93 -4.665 -9.733 -18.019 1.00 25.51 C ATOM 1514 CG1 ILE A 93 -5.235 -9.571 -16.573 1.00 44.11 C ATOM 1515 CG2 ILE A 93 -5.373 -8.748 -18.994 1.00 21.55 C ATOM 1516 CD1 ILE A 93 -5.064 -8.192 -15.953 1.00 42.44 C ATOM 0 H ILE A 93 -3.430 -11.690 -16.948 1.00 71.33 H new ATOM 0 HA ILE A 93 -5.836 -11.514 -18.430 1.00 61.00 H new ATOM 0 HB ILE A 93 -3.605 -9.480 -18.013 1.00 25.51 H new ATOM 0 HG12 ILE A 93 -6.298 -9.813 -16.591 1.00 44.11 H new ATOM 0 HG13 ILE A 93 -4.752 -10.304 -15.926 1.00 44.11 H new ATOM 0 HG21 ILE A 93 -5.265 -7.729 -18.623 1.00 21.55 H new ATOM 0 HG22 ILE A 93 -4.919 -8.825 -19.982 1.00 21.55 H new ATOM 0 HG23 ILE A 93 -6.431 -9.000 -19.061 1.00 21.55 H new ATOM 0 HD11 ILE A 93 -5.493 -8.188 -14.951 1.00 42.44 H new ATOM 0 HD12 ILE A 93 -4.003 -7.948 -15.894 1.00 42.44 H new ATOM 0 HD13 ILE A 93 -5.573 -7.451 -16.569 1.00 42.44 H new ATOM 1528 N GLY A 94 -3.004 -11.581 -20.145 1.00 4.31 N ATOM 1529 CA GLY A 94 -2.423 -11.789 -21.477 1.00 52.55 C ATOM 1530 C GLY A 94 -2.899 -13.078 -22.167 1.00 44.32 C ATOM 1531 O GLY A 94 -2.800 -13.200 -23.397 1.00 13.52 O ATOM 0 H GLY A 94 -2.324 -11.604 -19.385 1.00 4.31 H new ATOM 0 HA2 GLY A 94 -2.672 -10.936 -22.109 1.00 52.55 H new ATOM 0 HA3 GLY A 94 -1.337 -11.815 -21.389 1.00 52.55 H new ATOM 1535 N GLN A 95 -3.407 -14.038 -21.365 1.00 60.50 N ATOM 1536 CA GLN A 95 -3.909 -15.341 -21.849 1.00 0.04 C ATOM 1537 C GLN A 95 -5.447 -15.332 -21.997 1.00 30.34 C ATOM 1538 O GLN A 95 -5.978 -15.859 -22.970 1.00 53.51 O ATOM 1539 CB GLN A 95 -3.471 -16.467 -20.871 1.00 63.24 C ATOM 1540 CG GLN A 95 -1.947 -16.675 -20.761 1.00 70.52 C ATOM 1541 CD GLN A 95 -1.299 -17.118 -22.079 1.00 35.40 C ATOM 1542 OE1 GLN A 95 -0.862 -16.293 -22.881 1.00 31.52 O ATOM 1543 NE2 GLN A 95 -1.244 -18.424 -22.322 1.00 11.41 N ATOM 0 H GLN A 95 -3.481 -13.929 -20.354 1.00 60.50 H new ATOM 0 HA GLN A 95 -3.481 -15.528 -22.834 1.00 0.04 H new ATOM 0 HB2 GLN A 95 -3.865 -16.241 -19.880 1.00 63.24 H new ATOM 0 HB3 GLN A 95 -3.929 -17.403 -21.190 1.00 63.24 H new ATOM 0 HG2 GLN A 95 -1.483 -15.746 -20.430 1.00 70.52 H new ATOM 0 HG3 GLN A 95 -1.744 -17.423 -19.995 1.00 70.52 H new ATOM 0 HE21 GLN A 95 -1.614 -19.086 -21.640 1.00 11.41 H new ATOM 0 HE22 GLN A 95 -0.832 -18.764 -23.191 1.00 11.41 H new ATOM 1552 N VAL A 96 -6.153 -14.726 -21.025 1.00 53.21 N ATOM 1553 CA VAL A 96 -7.638 -14.781 -20.950 1.00 51.11 C ATOM 1554 C VAL A 96 -8.295 -13.715 -21.850 1.00 0.02 C ATOM 1555 O VAL A 96 -9.376 -13.941 -22.408 1.00 21.10 O ATOM 1556 CB VAL A 96 -8.156 -14.661 -19.464 1.00 3.52 C ATOM 1557 CG1 VAL A 96 -7.639 -15.840 -18.598 1.00 34.13 C ATOM 1558 CG2 VAL A 96 -7.777 -13.299 -18.837 1.00 1.53 C ATOM 0 H VAL A 96 -5.723 -14.188 -20.273 1.00 53.21 H new ATOM 0 HA VAL A 96 -7.935 -15.761 -21.325 1.00 51.11 H new ATOM 0 HB VAL A 96 -9.244 -14.715 -19.490 1.00 3.52 H new ATOM 0 HG11 VAL A 96 -8.010 -15.733 -17.579 1.00 34.13 H new ATOM 0 HG12 VAL A 96 -7.994 -16.782 -19.017 1.00 34.13 H new ATOM 0 HG13 VAL A 96 -6.549 -15.835 -18.589 1.00 34.13 H new ATOM 0 HG21 VAL A 96 -8.150 -13.253 -17.814 1.00 1.53 H new ATOM 0 HG22 VAL A 96 -6.693 -13.190 -18.833 1.00 1.53 H new ATOM 0 HG23 VAL A 96 -8.221 -12.493 -19.422 1.00 1.53 H new ATOM 1568 N LEU A 97 -7.628 -12.559 -21.989 1.00 13.43 N ATOM 1569 CA LEU A 97 -8.099 -11.465 -22.854 1.00 41.52 C ATOM 1570 C LEU A 97 -7.331 -11.543 -24.186 1.00 20.14 C ATOM 1571 O LEU A 97 -6.119 -11.296 -24.230 1.00 32.12 O ATOM 1572 CB LEU A 97 -7.891 -10.076 -22.146 1.00 33.21 C ATOM 1573 CG LEU A 97 -8.870 -8.898 -22.526 1.00 71.11 C ATOM 1574 CD1 LEU A 97 -8.504 -7.597 -21.765 1.00 41.05 C ATOM 1575 CD2 LEU A 97 -8.958 -8.644 -24.049 1.00 15.41 C ATOM 0 H LEU A 97 -6.752 -12.356 -21.508 1.00 13.43 H new ATOM 0 HA LEU A 97 -9.167 -11.565 -23.048 1.00 41.52 H new ATOM 0 HB2 LEU A 97 -7.962 -10.235 -21.070 1.00 33.21 H new ATOM 0 HB3 LEU A 97 -6.873 -9.745 -22.353 1.00 33.21 H new ATOM 0 HG LEU A 97 -9.864 -9.217 -22.211 1.00 71.11 H new ATOM 0 HD11 LEU A 97 -9.196 -6.803 -22.047 1.00 41.05 H new ATOM 0 HD12 LEU A 97 -8.572 -7.772 -20.691 1.00 41.05 H new ATOM 0 HD13 LEU A 97 -7.487 -7.300 -22.021 1.00 41.05 H new ATOM 0 HD21 LEU A 97 -9.647 -7.822 -24.242 1.00 15.41 H new ATOM 0 HD22 LEU A 97 -7.971 -8.387 -24.433 1.00 15.41 H new ATOM 0 HD23 LEU A 97 -9.318 -9.544 -24.548 1.00 15.41 H new ATOM 1830 N ILE A 429 -16.625 -14.059 -20.345 1.00 12.22 N ATOM 1831 CA ILE A 429 -15.184 -13.735 -20.416 1.00 5.11 C ATOM 1832 C ILE A 429 -14.937 -12.310 -19.893 1.00 41.31 C ATOM 1833 O ILE A 429 -13.947 -12.072 -19.224 1.00 33.41 O ATOM 1834 CB ILE A 429 -14.631 -13.945 -21.884 1.00 31.54 C ATOM 1835 CG1 ILE A 429 -13.070 -13.718 -22.030 1.00 22.40 C ATOM 1836 CG2 ILE A 429 -15.404 -13.089 -22.894 1.00 74.24 C ATOM 1837 CD1 ILE A 429 -12.611 -12.316 -22.464 1.00 54.03 C ATOM 0 HA ILE A 429 -14.631 -14.420 -19.773 1.00 5.11 H new ATOM 0 HB ILE A 429 -14.797 -14.999 -22.107 1.00 31.54 H new ATOM 0 HG12 ILE A 429 -12.602 -13.947 -21.073 1.00 22.40 H new ATOM 0 HG13 ILE A 429 -12.688 -14.439 -22.752 1.00 22.40 H new ATOM 0 HG21 ILE A 429 -15.002 -13.254 -23.894 1.00 74.24 H new ATOM 0 HG22 ILE A 429 -16.458 -13.368 -22.876 1.00 74.24 H new ATOM 0 HG23 ILE A 429 -15.303 -12.036 -22.631 1.00 74.24 H new ATOM 0 HD11 ILE A 429 -11.523 -12.292 -22.526 1.00 54.03 H new ATOM 0 HD12 ILE A 429 -13.036 -12.080 -23.440 1.00 54.03 H new ATOM 0 HD13 ILE A 429 -12.949 -11.580 -21.734 1.00 54.03 H new ATOM 1849 N ASP A 430 -15.888 -11.389 -20.160 1.00 24.22 N ATOM 1850 CA ASP A 430 -15.864 -10.014 -19.615 1.00 61.30 C ATOM 1851 C ASP A 430 -15.738 -10.020 -18.093 1.00 62.15 C ATOM 1852 O ASP A 430 -14.875 -9.356 -17.541 1.00 32.42 O ATOM 1853 CB ASP A 430 -17.147 -9.248 -20.011 1.00 30.24 C ATOM 1854 CG ASP A 430 -17.308 -7.888 -19.299 1.00 1.21 C ATOM 1855 OD1 ASP A 430 -16.576 -6.938 -19.626 1.00 71.23 O ATOM 1856 OD2 ASP A 430 -18.168 -7.772 -18.393 1.00 72.21 O ATOM 0 H ASP A 430 -16.692 -11.577 -20.758 1.00 24.22 H new ATOM 0 HA ASP A 430 -14.993 -9.515 -20.039 1.00 61.30 H new ATOM 0 HB2 ASP A 430 -17.143 -9.085 -21.089 1.00 30.24 H new ATOM 0 HB3 ASP A 430 -18.014 -9.870 -19.786 1.00 30.24 H new ATOM 1861 N GLU A 431 -16.617 -10.787 -17.443 1.00 13.22 N ATOM 1862 CA GLU A 431 -16.747 -10.822 -15.980 1.00 72.35 C ATOM 1863 C GLU A 431 -15.452 -11.326 -15.318 1.00 72.00 C ATOM 1864 O GLU A 431 -14.901 -10.656 -14.438 1.00 43.30 O ATOM 1865 CB GLU A 431 -17.943 -11.720 -15.587 1.00 35.53 C ATOM 1866 CG GLU A 431 -19.282 -11.302 -16.223 1.00 52.35 C ATOM 1867 CD GLU A 431 -20.444 -12.243 -15.865 1.00 1.11 C ATOM 1868 OE1 GLU A 431 -20.591 -13.285 -16.529 1.00 33.15 O ATOM 1869 OE2 GLU A 431 -21.196 -11.953 -14.914 1.00 3.22 O ATOM 0 H GLU A 431 -17.268 -11.410 -17.922 1.00 13.22 H new ATOM 0 HA GLU A 431 -16.926 -9.808 -15.623 1.00 72.35 H new ATOM 0 HB2 GLU A 431 -17.722 -12.748 -15.876 1.00 35.53 H new ATOM 0 HB3 GLU A 431 -18.050 -11.709 -14.502 1.00 35.53 H new ATOM 0 HG2 GLU A 431 -19.530 -10.291 -15.900 1.00 52.35 H new ATOM 0 HG3 GLU A 431 -19.168 -11.272 -17.307 1.00 52.35 H new ATOM 1876 N THR A 432 -14.955 -12.490 -15.786 1.00 42.23 N ATOM 1877 CA THR A 432 -13.756 -13.125 -15.204 1.00 33.21 C ATOM 1878 C THR A 432 -12.490 -12.276 -15.464 1.00 44.43 C ATOM 1879 O THR A 432 -11.668 -12.104 -14.557 1.00 55.02 O ATOM 1880 CB THR A 432 -13.560 -14.607 -15.694 1.00 21.02 C ATOM 1881 OG1 THR A 432 -12.465 -15.224 -14.991 1.00 74.04 O ATOM 1882 CG2 THR A 432 -13.296 -14.701 -17.197 1.00 45.14 C ATOM 0 H THR A 432 -15.365 -13.008 -16.563 1.00 42.23 H new ATOM 0 HA THR A 432 -13.918 -13.171 -14.127 1.00 33.21 H new ATOM 0 HB THR A 432 -14.493 -15.129 -15.482 1.00 21.02 H new ATOM 0 HG1 THR A 432 -12.354 -16.146 -15.304 1.00 74.04 H new ATOM 0 HG21 THR A 432 -13.169 -15.746 -17.479 1.00 45.14 H new ATOM 0 HG22 THR A 432 -14.140 -14.278 -17.742 1.00 45.14 H new ATOM 0 HG23 THR A 432 -12.391 -14.146 -17.443 1.00 45.14 H new ATOM 1890 N VAL A 433 -12.369 -11.700 -16.682 1.00 43.33 N ATOM 1891 CA VAL A 433 -11.232 -10.823 -17.033 1.00 71.31 C ATOM 1892 C VAL A 433 -11.313 -9.504 -16.257 1.00 61.31 C ATOM 1893 O VAL A 433 -10.287 -8.929 -15.921 1.00 1.50 O ATOM 1894 CB VAL A 433 -11.154 -10.542 -18.579 1.00 33.01 C ATOM 1895 CG1 VAL A 433 -10.053 -9.516 -18.950 1.00 64.44 C ATOM 1896 CG2 VAL A 433 -10.947 -11.856 -19.357 1.00 52.03 C ATOM 0 H VAL A 433 -13.044 -11.827 -17.436 1.00 43.33 H new ATOM 0 HA VAL A 433 -10.320 -11.349 -16.751 1.00 71.31 H new ATOM 0 HB VAL A 433 -12.108 -10.099 -18.865 1.00 33.01 H new ATOM 0 HG11 VAL A 433 -10.047 -9.363 -20.029 1.00 64.44 H new ATOM 0 HG12 VAL A 433 -10.255 -8.569 -18.450 1.00 64.44 H new ATOM 0 HG13 VAL A 433 -9.081 -9.894 -18.632 1.00 64.44 H new ATOM 0 HG21 VAL A 433 -10.895 -11.642 -20.425 1.00 52.03 H new ATOM 0 HG22 VAL A 433 -10.018 -12.327 -19.036 1.00 52.03 H new ATOM 0 HG23 VAL A 433 -11.781 -12.530 -19.162 1.00 52.03 H new ATOM 1906 N ALA A 434 -12.537 -9.056 -15.958 1.00 14.03 N ATOM 1907 CA ALA A 434 -12.763 -7.843 -15.155 1.00 12.35 C ATOM 1908 C ALA A 434 -12.427 -8.089 -13.681 1.00 32.22 C ATOM 1909 O ALA A 434 -12.152 -7.140 -12.969 1.00 74.45 O ATOM 1910 CB ALA A 434 -14.203 -7.345 -15.311 1.00 72.43 C ATOM 0 H ALA A 434 -13.394 -9.518 -16.262 1.00 14.03 H new ATOM 0 HA ALA A 434 -12.095 -7.066 -15.526 1.00 12.35 H new ATOM 0 HB1 ALA A 434 -14.345 -6.448 -14.708 1.00 72.43 H new ATOM 0 HB2 ALA A 434 -14.396 -7.113 -16.358 1.00 72.43 H new ATOM 0 HB3 ALA A 434 -14.894 -8.119 -14.978 1.00 72.43 H new ATOM 1916 N ARG A 435 -12.485 -9.362 -13.231 1.00 31.11 N ATOM 1917 CA ARG A 435 -12.037 -9.760 -11.873 1.00 44.41 C ATOM 1918 C ARG A 435 -10.503 -9.716 -11.790 1.00 22.14 C ATOM 1919 O ARG A 435 -9.939 -9.268 -10.784 1.00 32.10 O ATOM 1920 CB ARG A 435 -12.554 -11.174 -11.481 1.00 31.11 C ATOM 1921 CG ARG A 435 -14.091 -11.331 -11.405 1.00 74.23 C ATOM 1922 CD ARG A 435 -14.759 -10.350 -10.424 1.00 4.31 C ATOM 1923 NE ARG A 435 -16.206 -10.624 -10.274 1.00 75.33 N ATOM 1924 CZ ARG A 435 -17.200 -9.726 -10.424 1.00 62.24 C ATOM 1925 NH1 ARG A 435 -16.939 -8.462 -10.731 1.00 31.00 N ATOM 1926 NH2 ARG A 435 -18.455 -10.111 -10.266 1.00 60.41 N ATOM 0 H ARG A 435 -12.840 -10.137 -13.791 1.00 31.11 H new ATOM 0 HA ARG A 435 -12.460 -9.048 -11.165 1.00 44.41 H new ATOM 0 HB2 ARG A 435 -12.169 -11.894 -12.203 1.00 31.11 H new ATOM 0 HB3 ARG A 435 -12.132 -11.439 -10.511 1.00 31.11 H new ATOM 0 HG2 ARG A 435 -14.513 -11.183 -12.399 1.00 74.23 H new ATOM 0 HG3 ARG A 435 -14.330 -12.351 -11.106 1.00 74.23 H new ATOM 0 HD2 ARG A 435 -14.273 -10.421 -9.451 1.00 4.31 H new ATOM 0 HD3 ARG A 435 -14.617 -9.329 -10.778 1.00 4.31 H new ATOM 0 HE ARG A 435 -16.475 -11.579 -10.036 1.00 75.33 H new ATOM 0 HH11 ARG A 435 -15.974 -8.157 -10.857 1.00 31.00 H new ATOM 0 HH12 ARG A 435 -17.703 -7.796 -10.841 1.00 31.00 H new ATOM 0 HH21 ARG A 435 -18.665 -11.081 -10.032 1.00 60.41 H new ATOM 0 HH22 ARG A 435 -19.213 -9.438 -10.378 1.00 60.41 H new ATOM 1940 N TYR A 436 -9.831 -10.186 -12.862 1.00 42.10 N ATOM 1941 CA TYR A 436 -8.366 -10.081 -12.985 1.00 53.41 C ATOM 1942 C TYR A 436 -7.948 -8.611 -13.009 1.00 14.55 C ATOM 1943 O TYR A 436 -7.095 -8.196 -12.244 1.00 41.24 O ATOM 1944 CB TYR A 436 -7.861 -10.767 -14.280 1.00 41.33 C ATOM 1945 CG TYR A 436 -7.976 -12.294 -14.281 1.00 25.31 C ATOM 1946 CD1 TYR A 436 -7.289 -13.055 -13.338 1.00 24.42 C ATOM 1947 CD2 TYR A 436 -8.754 -12.974 -15.221 1.00 44.14 C ATOM 1948 CE1 TYR A 436 -7.378 -14.430 -13.332 1.00 72.12 C ATOM 1949 CE2 TYR A 436 -8.845 -14.351 -15.215 1.00 51.33 C ATOM 1950 CZ TYR A 436 -8.154 -15.072 -14.269 1.00 33.51 C ATOM 1951 OH TYR A 436 -8.237 -16.441 -14.258 1.00 51.44 O ATOM 0 H TYR A 436 -10.283 -10.642 -13.655 1.00 42.10 H new ATOM 0 HA TYR A 436 -7.924 -10.583 -12.125 1.00 53.41 H new ATOM 0 HB2 TYR A 436 -8.423 -10.373 -15.127 1.00 41.33 H new ATOM 0 HB3 TYR A 436 -6.817 -10.495 -14.436 1.00 41.33 H new ATOM 0 HD1 TYR A 436 -6.677 -12.559 -12.599 1.00 24.42 H new ATOM 0 HD2 TYR A 436 -9.295 -12.411 -15.967 1.00 44.14 H new ATOM 0 HE1 TYR A 436 -6.839 -15.003 -12.592 1.00 72.12 H new ATOM 0 HE2 TYR A 436 -9.454 -14.859 -15.948 1.00 51.33 H new ATOM 0 HH TYR A 436 -8.825 -16.739 -14.983 1.00 51.44 H new ATOM 1961 N LYS A 437 -8.602 -7.862 -13.904 1.00 45.41 N ATOM 1962 CA LYS A 437 -8.357 -6.435 -14.147 1.00 25.31 C ATOM 1963 C LYS A 437 -8.723 -5.594 -12.919 1.00 33.51 C ATOM 1964 O LYS A 437 -8.098 -4.564 -12.678 1.00 74.41 O ATOM 1965 CB LYS A 437 -9.147 -5.984 -15.414 1.00 33.40 C ATOM 1966 CG LYS A 437 -9.297 -4.463 -15.625 1.00 13.31 C ATOM 1967 CD LYS A 437 -9.940 -4.107 -16.987 1.00 73.52 C ATOM 1968 CE LYS A 437 -10.396 -2.640 -17.065 1.00 40.42 C ATOM 1969 NZ LYS A 437 -9.346 -1.673 -16.642 1.00 12.34 N ATOM 0 H LYS A 437 -9.339 -8.243 -14.497 1.00 45.41 H new ATOM 0 HA LYS A 437 -7.293 -6.279 -14.327 1.00 25.31 H new ATOM 0 HB2 LYS A 437 -8.654 -6.403 -16.291 1.00 33.40 H new ATOM 0 HB3 LYS A 437 -10.144 -6.422 -15.369 1.00 33.40 H new ATOM 0 HG2 LYS A 437 -9.905 -4.048 -14.822 1.00 13.31 H new ATOM 0 HG3 LYS A 437 -8.316 -3.993 -15.558 1.00 13.31 H new ATOM 0 HD2 LYS A 437 -9.223 -4.303 -17.784 1.00 73.52 H new ATOM 0 HD3 LYS A 437 -10.796 -4.759 -17.161 1.00 73.52 H new ATOM 0 HE2 LYS A 437 -10.697 -2.414 -18.088 1.00 40.42 H new ATOM 0 HE3 LYS A 437 -11.277 -2.507 -16.437 1.00 40.42 H new ATOM 0 HZ1 LYS A 437 -9.679 -0.703 -16.813 1.00 12.34 H new ATOM 0 HZ2 LYS A 437 -9.148 -1.797 -15.629 1.00 12.34 H new ATOM 0 HZ3 LYS A 437 -8.477 -1.843 -17.188 1.00 12.34 H new ATOM 1983 N ALA A 438 -9.722 -6.049 -12.137 1.00 33.24 N ATOM 1984 CA ALA A 438 -10.098 -5.376 -10.884 1.00 1.41 C ATOM 1985 C ALA A 438 -8.949 -5.490 -9.887 1.00 72.04 C ATOM 1986 O ALA A 438 -8.333 -4.491 -9.555 1.00 35.51 O ATOM 1987 CB ALA A 438 -11.386 -5.960 -10.275 1.00 44.43 C ATOM 0 H ALA A 438 -10.279 -6.876 -12.352 1.00 33.24 H new ATOM 0 HA ALA A 438 -10.296 -4.328 -11.111 1.00 1.41 H new ATOM 0 HB1 ALA A 438 -11.624 -5.432 -9.352 1.00 44.43 H new ATOM 0 HB2 ALA A 438 -12.208 -5.844 -10.982 1.00 44.43 H new ATOM 0 HB3 ALA A 438 -11.239 -7.018 -10.060 1.00 44.43 H new ATOM 1993 N GLN A 439 -8.598 -6.730 -9.515 1.00 44.43 N ATOM 1994 CA GLN A 439 -7.560 -6.994 -8.505 1.00 72.34 C ATOM 1995 C GLN A 439 -6.187 -6.494 -8.976 1.00 41.34 C ATOM 1996 O GLN A 439 -5.360 -6.091 -8.167 1.00 31.51 O ATOM 1997 CB GLN A 439 -7.526 -8.502 -8.139 1.00 43.30 C ATOM 1998 CG GLN A 439 -8.839 -9.035 -7.521 1.00 53.13 C ATOM 1999 CD GLN A 439 -9.320 -8.215 -6.316 1.00 24.23 C ATOM 2000 OE1 GLN A 439 -8.531 -7.610 -5.590 1.00 21.40 O ATOM 2001 NE2 GLN A 439 -10.620 -8.191 -6.092 1.00 24.12 N ATOM 0 H GLN A 439 -9.022 -7.573 -9.902 1.00 44.43 H new ATOM 0 HA GLN A 439 -7.812 -6.438 -7.602 1.00 72.34 H new ATOM 0 HB2 GLN A 439 -7.301 -9.077 -9.037 1.00 43.30 H new ATOM 0 HB3 GLN A 439 -6.711 -8.675 -7.437 1.00 43.30 H new ATOM 0 HG2 GLN A 439 -9.617 -9.037 -8.284 1.00 53.13 H new ATOM 0 HG3 GLN A 439 -8.693 -10.070 -7.212 1.00 53.13 H new ATOM 0 HE21 GLN A 439 -11.253 -8.701 -6.708 1.00 24.12 H new ATOM 0 HE22 GLN A 439 -10.992 -7.663 -5.303 1.00 24.12 H new ATOM 2010 N PHE A 440 -5.999 -6.478 -10.302 1.00 72.11 N ATOM 2011 CA PHE A 440 -4.790 -5.948 -10.928 1.00 73.42 C ATOM 2012 C PHE A 440 -4.697 -4.436 -10.668 1.00 42.54 C ATOM 2013 O PHE A 440 -3.830 -3.999 -9.942 1.00 63.11 O ATOM 2014 CB PHE A 440 -4.781 -6.244 -12.451 1.00 23.04 C ATOM 2015 CG PHE A 440 -3.500 -5.826 -13.168 1.00 64.45 C ATOM 2016 CD1 PHE A 440 -2.321 -6.542 -12.969 1.00 24.43 C ATOM 2017 CD2 PHE A 440 -3.470 -4.727 -14.025 1.00 42.34 C ATOM 2018 CE1 PHE A 440 -1.160 -6.174 -13.602 1.00 61.14 C ATOM 2019 CE2 PHE A 440 -2.302 -4.361 -14.662 1.00 14.35 C ATOM 2020 CZ PHE A 440 -1.147 -5.088 -14.448 1.00 13.41 C ATOM 0 H PHE A 440 -6.685 -6.834 -10.968 1.00 72.11 H new ATOM 0 HA PHE A 440 -3.921 -6.439 -10.490 1.00 73.42 H new ATOM 0 HB2 PHE A 440 -4.935 -7.312 -12.602 1.00 23.04 H new ATOM 0 HB3 PHE A 440 -5.625 -5.732 -12.913 1.00 23.04 H new ATOM 0 HD1 PHE A 440 -2.321 -7.397 -12.309 1.00 24.43 H new ATOM 0 HD2 PHE A 440 -4.371 -4.156 -14.192 1.00 42.34 H new ATOM 0 HE1 PHE A 440 -0.254 -6.738 -13.436 1.00 61.14 H new ATOM 0 HE2 PHE A 440 -2.291 -3.509 -15.326 1.00 14.35 H new ATOM 0 HZ PHE A 440 -0.232 -4.804 -14.946 1.00 13.41 H new ATOM 2030 N THR A 441 -5.668 -3.674 -11.194 1.00 1.31 N ATOM 2031 CA THR A 441 -5.650 -2.191 -11.194 1.00 24.12 C ATOM 2032 C THR A 441 -5.797 -1.598 -9.763 1.00 22.31 C ATOM 2033 O THR A 441 -5.220 -0.552 -9.454 1.00 74.02 O ATOM 2034 CB THR A 441 -6.767 -1.643 -12.144 1.00 33.44 C ATOM 2035 OG1 THR A 441 -6.620 -2.240 -13.444 1.00 24.01 O ATOM 2036 CG2 THR A 441 -6.729 -0.113 -12.301 1.00 13.04 C ATOM 0 H THR A 441 -6.498 -4.067 -11.637 1.00 1.31 H new ATOM 0 HA THR A 441 -4.676 -1.872 -11.565 1.00 24.12 H new ATOM 0 HB THR A 441 -7.723 -1.904 -11.690 1.00 33.44 H new ATOM 0 HG1 THR A 441 -7.067 -3.112 -13.456 1.00 24.01 H new ATOM 0 HG21 THR A 441 -7.528 0.204 -12.971 1.00 13.04 H new ATOM 0 HG22 THR A 441 -6.865 0.356 -11.327 1.00 13.04 H new ATOM 0 HG23 THR A 441 -5.767 0.186 -12.716 1.00 13.04 H new ATOM 2044 N GLN A 442 -6.554 -2.296 -8.908 1.00 10.21 N ATOM 2045 CA GLN A 442 -6.740 -1.939 -7.483 1.00 22.33 C ATOM 2046 C GLN A 442 -5.421 -2.080 -6.701 1.00 22.45 C ATOM 2047 O GLN A 442 -4.962 -1.133 -6.051 1.00 51.44 O ATOM 2048 CB GLN A 442 -7.843 -2.829 -6.855 1.00 72.11 C ATOM 2049 CG GLN A 442 -9.270 -2.546 -7.372 1.00 75.25 C ATOM 2050 CD GLN A 442 -10.316 -3.592 -6.947 1.00 43.43 C ATOM 2051 OE1 GLN A 442 -9.921 -4.863 -6.847 1.00 35.32 O flip ATOM 2052 NE2 GLN A 442 -11.479 -3.269 -6.733 1.00 61.31 N flip ATOM 0 H GLN A 442 -7.064 -3.136 -9.183 1.00 10.21 H new ATOM 0 HA GLN A 442 -7.051 -0.896 -7.426 1.00 22.33 H new ATOM 0 HB2 GLN A 442 -7.602 -3.874 -7.048 1.00 72.11 H new ATOM 0 HB3 GLN A 442 -7.829 -2.693 -5.774 1.00 72.11 H new ATOM 0 HG2 GLN A 442 -9.586 -1.566 -7.013 1.00 75.25 H new ATOM 0 HG3 GLN A 442 -9.246 -2.495 -8.461 1.00 75.25 H new ATOM 0 HE21 GLN A 442 -11.760 -2.292 -6.815 1.00 61.31 H new ATOM 0 HE22 GLN A 442 -12.165 -3.977 -6.473 1.00 61.31 H new ATOM 2061 N LEU A 443 -4.797 -3.273 -6.795 1.00 13.12 N ATOM 2062 CA LEU A 443 -3.495 -3.545 -6.145 1.00 73.01 C ATOM 2063 C LEU A 443 -2.355 -2.783 -6.865 1.00 23.42 C ATOM 2064 O LEU A 443 -1.285 -2.618 -6.293 1.00 4.23 O ATOM 2065 CB LEU A 443 -3.195 -5.077 -6.081 1.00 33.15 C ATOM 2066 CG LEU A 443 -3.925 -5.931 -4.975 1.00 14.45 C ATOM 2067 CD1 LEU A 443 -5.464 -5.753 -4.974 1.00 63.44 C ATOM 2068 CD2 LEU A 443 -3.544 -7.430 -5.114 1.00 13.42 C ATOM 0 H LEU A 443 -5.174 -4.065 -7.315 1.00 13.12 H new ATOM 0 HA LEU A 443 -3.553 -3.183 -5.119 1.00 73.01 H new ATOM 0 HB2 LEU A 443 -3.443 -5.506 -7.052 1.00 33.15 H new ATOM 0 HB3 LEU A 443 -2.121 -5.201 -5.943 1.00 33.15 H new ATOM 0 HG LEU A 443 -3.578 -5.555 -4.013 1.00 14.45 H new ATOM 0 HD11 LEU A 443 -5.901 -6.369 -4.188 1.00 63.44 H new ATOM 0 HD12 LEU A 443 -5.709 -4.706 -4.793 1.00 63.44 H new ATOM 0 HD13 LEU A 443 -5.866 -6.058 -5.940 1.00 63.44 H new ATOM 0 HD21 LEU A 443 -4.055 -8.008 -4.344 1.00 13.42 H new ATOM 0 HD22 LEU A 443 -3.843 -7.792 -6.098 1.00 13.42 H new ATOM 0 HD23 LEU A 443 -2.466 -7.544 -4.998 1.00 13.42 H new ATOM 2080 N ASP A 444 -2.604 -2.339 -8.121 1.00 42.43 N ATOM 2081 CA ASP A 444 -1.626 -1.587 -8.952 1.00 42.43 C ATOM 2082 C ASP A 444 -1.530 -0.122 -8.508 1.00 0.34 C ATOM 2083 O ASP A 444 -0.426 0.425 -8.394 1.00 42.04 O ATOM 2084 CB ASP A 444 -2.017 -1.651 -10.451 1.00 3.32 C ATOM 2085 CG ASP A 444 -1.089 -0.865 -11.390 1.00 50.05 C ATOM 2086 OD1 ASP A 444 -1.376 0.314 -11.684 1.00 1.13 O ATOM 2087 OD2 ASP A 444 -0.076 -1.420 -11.852 1.00 1.51 O ATOM 0 H ASP A 444 -3.496 -2.493 -8.592 1.00 42.43 H new ATOM 0 HA ASP A 444 -0.652 -2.057 -8.816 1.00 42.43 H new ATOM 0 HB2 ASP A 444 -2.030 -2.695 -10.765 1.00 3.32 H new ATOM 0 HB3 ASP A 444 -3.032 -1.271 -10.564 1.00 3.32 H new ATOM 2092 N THR A 445 -2.697 0.524 -8.296 1.00 71.52 N ATOM 2093 CA THR A 445 -2.742 1.918 -7.811 1.00 55.34 C ATOM 2094 C THR A 445 -2.190 1.959 -6.379 1.00 51.52 C ATOM 2095 O THR A 445 -1.421 2.874 -6.024 1.00 43.43 O ATOM 2096 CB THR A 445 -4.172 2.572 -7.901 1.00 14.22 C ATOM 2097 OG1 THR A 445 -4.107 3.967 -7.543 1.00 55.41 O ATOM 2098 CG2 THR A 445 -5.218 1.877 -7.012 1.00 33.44 C ATOM 0 H THR A 445 -3.614 0.105 -8.452 1.00 71.52 H new ATOM 0 HA THR A 445 -2.118 2.522 -8.470 1.00 55.34 H new ATOM 0 HB THR A 445 -4.492 2.454 -8.936 1.00 14.22 H new ATOM 0 HG1 THR A 445 -5.002 4.362 -7.604 1.00 55.41 H new ATOM 0 HG21 THR A 445 -6.180 2.378 -7.122 1.00 33.44 H new ATOM 0 HG22 THR A 445 -5.316 0.834 -7.313 1.00 33.44 H new ATOM 0 HG23 THR A 445 -4.901 1.926 -5.970 1.00 33.44 H new ATOM 2106 N MET A 446 -2.517 0.907 -5.588 1.00 41.30 N ATOM 2107 CA MET A 446 -1.955 0.732 -4.247 1.00 1.32 C ATOM 2108 C MET A 446 -0.437 0.536 -4.333 1.00 43.12 C ATOM 2109 O MET A 446 0.289 1.120 -3.552 1.00 72.32 O ATOM 2110 CB MET A 446 -2.582 -0.474 -3.501 1.00 20.03 C ATOM 2111 CG MET A 446 -2.162 -0.546 -2.024 1.00 42.44 C ATOM 2112 SD MET A 446 -2.827 -1.961 -1.117 1.00 1.12 S ATOM 2113 CE MET A 446 -2.217 -1.600 0.536 1.00 75.44 C ATOM 0 H MET A 446 -3.168 0.173 -5.866 1.00 41.30 H new ATOM 0 HA MET A 446 -2.187 1.635 -3.683 1.00 1.32 H new ATOM 0 HB2 MET A 446 -3.668 -0.408 -3.562 1.00 20.03 H new ATOM 0 HB3 MET A 446 -2.290 -1.397 -4.002 1.00 20.03 H new ATOM 0 HG2 MET A 446 -1.074 -0.577 -1.971 1.00 42.44 H new ATOM 0 HG3 MET A 446 -2.480 0.370 -1.525 1.00 42.44 H new ATOM 0 HE1 MET A 446 -1.664 -2.459 0.915 1.00 75.44 H new ATOM 0 HE2 MET A 446 -1.559 -0.732 0.499 1.00 75.44 H new ATOM 0 HE3 MET A 446 -3.058 -1.390 1.196 1.00 75.44 H new ATOM 2123 N MET A 447 0.009 -0.283 -5.311 1.00 54.44 N ATOM 2124 CA MET A 447 1.438 -0.637 -5.509 1.00 0.12 C ATOM 2125 C MET A 447 2.298 0.611 -5.739 1.00 11.03 C ATOM 2126 O MET A 447 3.293 0.815 -5.047 1.00 32.24 O ATOM 2127 CB MET A 447 1.620 -1.608 -6.717 1.00 13.31 C ATOM 2128 CG MET A 447 3.077 -2.057 -7.025 1.00 10.41 C ATOM 2129 SD MET A 447 3.492 -3.714 -6.431 1.00 33.21 S ATOM 2130 CE MET A 447 3.315 -3.542 -4.664 1.00 15.34 C ATOM 0 H MET A 447 -0.613 -0.721 -5.990 1.00 54.44 H new ATOM 0 HA MET A 447 1.766 -1.134 -4.596 1.00 0.12 H new ATOM 0 HB2 MET A 447 1.019 -2.499 -6.534 1.00 13.31 H new ATOM 0 HB3 MET A 447 1.215 -1.127 -7.607 1.00 13.31 H new ATOM 0 HG2 MET A 447 3.235 -2.021 -8.103 1.00 10.41 H new ATOM 0 HG3 MET A 447 3.767 -1.341 -6.578 1.00 10.41 H new ATOM 0 HE1 MET A 447 3.628 -4.465 -4.175 1.00 15.34 H new ATOM 0 HE2 MET A 447 3.937 -2.718 -4.315 1.00 15.34 H new ATOM 0 HE3 MET A 447 2.272 -3.338 -4.421 1.00 15.34 H new ATOM 2140 N SER A 448 1.893 1.421 -6.725 1.00 4.34 N ATOM 2141 CA SER A 448 2.615 2.642 -7.119 1.00 42.15 C ATOM 2142 C SER A 448 2.685 3.643 -5.955 1.00 32.23 C ATOM 2143 O SER A 448 3.739 4.260 -5.712 1.00 71.31 O ATOM 2144 CB SER A 448 1.923 3.265 -8.349 1.00 13.42 C ATOM 2145 OG SER A 448 0.528 3.448 -8.128 1.00 11.24 O ATOM 0 H SER A 448 1.052 1.249 -7.276 1.00 4.34 H new ATOM 0 HA SER A 448 3.641 2.383 -7.380 1.00 42.15 H new ATOM 0 HB2 SER A 448 2.385 4.225 -8.580 1.00 13.42 H new ATOM 0 HB3 SER A 448 2.074 2.622 -9.216 1.00 13.42 H new ATOM 0 HG SER A 448 0.277 3.047 -7.270 1.00 11.24 H new ATOM 2151 N LYS A 449 1.564 3.768 -5.213 1.00 75.35 N ATOM 2152 CA LYS A 449 1.496 4.682 -4.066 1.00 32.11 C ATOM 2153 C LYS A 449 2.310 4.156 -2.879 1.00 43.00 C ATOM 2154 O LYS A 449 3.021 4.928 -2.252 1.00 51.31 O ATOM 2155 CB LYS A 449 0.033 4.966 -3.645 1.00 10.02 C ATOM 2156 CG LYS A 449 -0.780 5.743 -4.708 1.00 34.32 C ATOM 2157 CD LYS A 449 -2.119 6.310 -4.188 1.00 23.03 C ATOM 2158 CE LYS A 449 -1.932 7.386 -3.103 1.00 70.30 C ATOM 2159 NZ LYS A 449 -3.213 8.062 -2.765 1.00 13.31 N ATOM 0 H LYS A 449 0.703 3.250 -5.390 1.00 75.35 H new ATOM 0 HA LYS A 449 1.939 5.625 -4.386 1.00 32.11 H new ATOM 0 HB2 LYS A 449 -0.467 4.020 -3.438 1.00 10.02 H new ATOM 0 HB3 LYS A 449 0.036 5.535 -2.715 1.00 10.02 H new ATOM 0 HG2 LYS A 449 -0.172 6.565 -5.085 1.00 34.32 H new ATOM 0 HG3 LYS A 449 -0.981 5.082 -5.551 1.00 34.32 H new ATOM 0 HD2 LYS A 449 -2.676 6.736 -5.023 1.00 23.03 H new ATOM 0 HD3 LYS A 449 -2.721 5.495 -3.785 1.00 23.03 H new ATOM 0 HE2 LYS A 449 -1.515 6.928 -2.206 1.00 70.30 H new ATOM 0 HE3 LYS A 449 -1.210 8.127 -3.447 1.00 70.30 H new ATOM 0 HZ1 LYS A 449 -3.212 9.025 -3.159 1.00 13.31 H new ATOM 0 HZ2 LYS A 449 -4.006 7.524 -3.168 1.00 13.31 H new ATOM 0 HZ3 LYS A 449 -3.318 8.111 -1.731 1.00 13.31 H new ATOM 2173 N LEU A 450 2.245 2.830 -2.616 1.00 22.14 N ATOM 2174 CA LEU A 450 2.913 2.219 -1.440 1.00 41.21 C ATOM 2175 C LEU A 450 4.421 2.149 -1.674 1.00 74.35 C ATOM 2176 O LEU A 450 5.197 2.105 -0.731 1.00 71.21 O ATOM 2177 CB LEU A 450 2.301 0.818 -1.034 1.00 44.41 C ATOM 2178 CG LEU A 450 2.592 -0.462 -1.915 1.00 13.54 C ATOM 2179 CD1 LEU A 450 3.998 -1.083 -1.687 1.00 34.21 C ATOM 2180 CD2 LEU A 450 1.499 -1.536 -1.705 1.00 52.00 C ATOM 0 H LEU A 450 1.739 2.164 -3.199 1.00 22.14 H new ATOM 0 HA LEU A 450 2.726 2.866 -0.583 1.00 41.21 H new ATOM 0 HB2 LEU A 450 2.641 0.598 -0.022 1.00 44.41 H new ATOM 0 HB3 LEU A 450 1.219 0.939 -0.988 1.00 44.41 H new ATOM 0 HG LEU A 450 2.575 -0.112 -2.947 1.00 13.54 H new ATOM 0 HD11 LEU A 450 4.118 -1.956 -2.328 1.00 34.21 H new ATOM 0 HD12 LEU A 450 4.765 -0.347 -1.929 1.00 34.21 H new ATOM 0 HD13 LEU A 450 4.099 -1.382 -0.644 1.00 34.21 H new ATOM 0 HD21 LEU A 450 1.721 -2.407 -2.322 1.00 52.00 H new ATOM 0 HD22 LEU A 450 1.475 -1.831 -0.656 1.00 52.00 H new ATOM 0 HD23 LEU A 450 0.529 -1.128 -1.989 1.00 52.00 H new ATOM 2192 N ASN A 451 4.816 2.121 -2.949 1.00 75.44 N ATOM 2193 CA ASN A 451 6.225 2.106 -3.357 1.00 22.03 C ATOM 2194 C ASN A 451 6.839 3.501 -3.133 1.00 55.34 C ATOM 2195 O ASN A 451 7.948 3.631 -2.581 1.00 14.21 O ATOM 2196 CB ASN A 451 6.342 1.689 -4.844 1.00 14.43 C ATOM 2197 CG ASN A 451 7.775 1.389 -5.287 1.00 45.20 C ATOM 2198 OD1 ASN A 451 8.231 0.251 -5.217 1.00 70.02 O ATOM 2199 ND2 ASN A 451 8.497 2.400 -5.748 1.00 71.35 N ATOM 0 H ASN A 451 4.164 2.108 -3.733 1.00 75.44 H new ATOM 0 HA ASN A 451 6.771 1.380 -2.755 1.00 22.03 H new ATOM 0 HB2 ASN A 451 5.726 0.806 -5.014 1.00 14.43 H new ATOM 0 HB3 ASN A 451 5.937 2.485 -5.469 1.00 14.43 H new ATOM 0 HD21 ASN A 451 9.457 2.243 -6.056 1.00 71.35 H new ATOM 0 HD22 ASN A 451 8.093 3.335 -5.795 1.00 71.35 H new ATOM 2206 N ASN A 452 6.087 4.535 -3.574 1.00 25.24 N ATOM 2207 CA ASN A 452 6.452 5.949 -3.364 1.00 22.44 C ATOM 2208 C ASN A 452 6.558 6.261 -1.864 1.00 73.14 C ATOM 2209 O ASN A 452 7.547 6.869 -1.414 1.00 31.51 O ATOM 2210 CB ASN A 452 5.407 6.894 -4.028 1.00 1.15 C ATOM 2211 CG ASN A 452 5.734 8.390 -3.861 1.00 42.13 C ATOM 2212 OD1 ASN A 452 6.897 8.794 -3.871 1.00 70.34 O ATOM 2213 ND2 ASN A 452 4.715 9.220 -3.691 1.00 35.02 N ATOM 0 H ASN A 452 5.213 4.410 -4.084 1.00 25.24 H new ATOM 0 HA ASN A 452 7.422 6.119 -3.830 1.00 22.44 H new ATOM 0 HB2 ASN A 452 5.343 6.661 -5.091 1.00 1.15 H new ATOM 0 HB3 ASN A 452 4.425 6.695 -3.598 1.00 1.15 H new ATOM 0 HD21 ASN A 452 4.885 10.218 -3.565 1.00 35.02 H new ATOM 0 HD22 ASN A 452 3.760 8.861 -3.687 1.00 35.02 H new ATOM 2220 N THR A 453 5.543 5.812 -1.100 1.00 40.34 N ATOM 2221 CA THR A 453 5.477 6.057 0.334 1.00 64.40 C ATOM 2222 C THR A 453 6.675 5.402 1.038 1.00 40.14 C ATOM 2223 O THR A 453 7.514 6.123 1.548 1.00 50.12 O ATOM 2224 CB THR A 453 4.127 5.596 0.958 1.00 41.33 C ATOM 2225 OG1 THR A 453 3.898 4.244 0.637 1.00 24.33 O ATOM 2226 CG2 THR A 453 2.917 6.432 0.478 1.00 74.13 C ATOM 0 H THR A 453 4.757 5.275 -1.466 1.00 40.34 H new ATOM 0 HA THR A 453 5.528 7.135 0.486 1.00 64.40 H new ATOM 0 HB THR A 453 4.216 5.738 2.035 1.00 41.33 H new ATOM 0 HG1 THR A 453 3.395 3.816 1.361 1.00 24.33 H new ATOM 0 HG21 THR A 453 2.008 6.060 0.950 1.00 74.13 H new ATOM 0 HG22 THR A 453 3.066 7.477 0.751 1.00 74.13 H new ATOM 0 HG23 THR A 453 2.824 6.349 -0.605 1.00 74.13 H new ATOM 2234 N SER A 454 6.794 4.055 0.972 1.00 15.21 N ATOM 2235 CA SER A 454 7.881 3.292 1.657 1.00 61.15 C ATOM 2236 C SER A 454 9.285 3.833 1.320 1.00 12.24 C ATOM 2237 O SER A 454 10.196 3.754 2.146 1.00 52.03 O ATOM 2238 CB SER A 454 7.801 1.787 1.306 1.00 41.14 C ATOM 2239 OG SER A 454 7.908 1.579 -0.087 1.00 62.10 O ATOM 0 H SER A 454 6.148 3.464 0.448 1.00 15.21 H new ATOM 0 HA SER A 454 7.725 3.424 2.728 1.00 61.15 H new ATOM 0 HB2 SER A 454 8.598 1.249 1.819 1.00 41.14 H new ATOM 0 HB3 SER A 454 6.857 1.377 1.666 1.00 41.14 H new ATOM 0 HG SER A 454 7.034 1.719 -0.507 1.00 62.10 H new ATOM 2245 N SER A 455 9.436 4.376 0.096 1.00 33.42 N ATOM 2246 CA SER A 455 10.674 5.055 -0.330 1.00 20.43 C ATOM 2247 C SER A 455 10.987 6.264 0.594 1.00 3.24 C ATOM 2248 O SER A 455 11.976 6.245 1.350 1.00 32.33 O ATOM 2249 CB SER A 455 10.542 5.505 -1.800 1.00 30.30 C ATOM 2250 OG SER A 455 11.735 6.111 -2.281 1.00 64.01 O ATOM 0 H SER A 455 8.709 4.356 -0.619 1.00 33.42 H new ATOM 0 HA SER A 455 11.505 4.355 -0.251 1.00 20.43 H new ATOM 0 HB2 SER A 455 10.296 4.644 -2.422 1.00 30.30 H new ATOM 0 HB3 SER A 455 9.715 6.210 -1.891 1.00 30.30 H new ATOM 0 HG SER A 455 11.611 6.380 -3.215 1.00 64.01 H new ATOM 2256 N TYR A 456 10.112 7.297 0.581 1.00 43.32 N ATOM 2257 CA TYR A 456 10.344 8.523 1.391 1.00 42.50 C ATOM 2258 C TYR A 456 10.119 8.281 2.904 1.00 4.05 C ATOM 2259 O TYR A 456 10.581 9.068 3.719 1.00 72.23 O ATOM 2260 CB TYR A 456 9.548 9.767 0.866 1.00 23.51 C ATOM 2261 CG TYR A 456 8.004 9.681 0.853 1.00 71.40 C ATOM 2262 CD1 TYR A 456 7.270 9.558 2.035 1.00 34.33 C ATOM 2263 CD2 TYR A 456 7.285 9.776 -0.341 1.00 71.34 C ATOM 2264 CE1 TYR A 456 5.899 9.524 2.024 1.00 41.14 C ATOM 2265 CE2 TYR A 456 5.909 9.739 -0.353 1.00 73.44 C ATOM 2266 CZ TYR A 456 5.223 9.612 0.833 1.00 71.13 C ATOM 2267 OH TYR A 456 3.855 9.576 0.831 1.00 45.35 O ATOM 0 H TYR A 456 9.253 7.311 0.030 1.00 43.32 H new ATOM 0 HA TYR A 456 11.399 8.766 1.264 1.00 42.50 H new ATOM 0 HB2 TYR A 456 9.831 10.627 1.474 1.00 23.51 H new ATOM 0 HB3 TYR A 456 9.881 9.973 -0.151 1.00 23.51 H new ATOM 0 HD1 TYR A 456 7.793 9.488 2.977 1.00 34.33 H new ATOM 0 HD2 TYR A 456 7.820 9.881 -1.274 1.00 71.34 H new ATOM 0 HE1 TYR A 456 5.353 9.428 2.951 1.00 41.14 H new ATOM 0 HE2 TYR A 456 5.371 9.809 -1.287 1.00 73.44 H new ATOM 0 HH TYR A 456 3.527 9.650 -0.090 1.00 45.35 H new ATOM 2277 N LEU A 457 9.386 7.201 3.251 1.00 73.23 N ATOM 2278 CA LEU A 457 9.086 6.824 4.651 1.00 4.43 C ATOM 2279 C LEU A 457 10.305 6.174 5.312 1.00 50.35 C ATOM 2280 O LEU A 457 10.522 6.357 6.508 1.00 14.23 O ATOM 2281 CB LEU A 457 7.871 5.850 4.764 1.00 24.22 C ATOM 2282 CG LEU A 457 6.448 6.417 4.472 1.00 72.22 C ATOM 2283 CD1 LEU A 457 5.368 5.322 4.688 1.00 12.04 C ATOM 2284 CD2 LEU A 457 6.171 7.670 5.316 1.00 24.24 C ATOM 0 H LEU A 457 8.983 6.563 2.565 1.00 73.23 H new ATOM 0 HA LEU A 457 8.829 7.750 5.166 1.00 4.43 H new ATOM 0 HB2 LEU A 457 8.045 5.018 4.082 1.00 24.22 H new ATOM 0 HB3 LEU A 457 7.866 5.439 5.773 1.00 24.22 H new ATOM 0 HG LEU A 457 6.404 6.719 3.426 1.00 72.22 H new ATOM 0 HD11 LEU A 457 4.382 5.737 4.479 1.00 12.04 H new ATOM 0 HD12 LEU A 457 5.559 4.485 4.016 1.00 12.04 H new ATOM 0 HD13 LEU A 457 5.404 4.974 5.720 1.00 12.04 H new ATOM 0 HD21 LEU A 457 5.172 8.045 5.093 1.00 24.24 H new ATOM 0 HD22 LEU A 457 6.236 7.417 6.374 1.00 24.24 H new ATOM 0 HD23 LEU A 457 6.908 8.438 5.080 1.00 24.24 H new ATOM 2296 N THR A 458 11.077 5.382 4.546 1.00 54.24 N ATOM 2297 CA THR A 458 12.306 4.771 5.075 1.00 33.10 C ATOM 2298 C THR A 458 13.389 5.848 5.215 1.00 63.15 C ATOM 2299 O THR A 458 14.184 5.812 6.158 1.00 65.43 O ATOM 2300 CB THR A 458 12.789 3.536 4.234 1.00 4.41 C ATOM 2301 OG1 THR A 458 13.719 2.755 5.001 1.00 73.03 O ATOM 2302 CG2 THR A 458 13.440 3.920 2.902 1.00 50.20 C ATOM 0 H THR A 458 10.874 5.153 3.573 1.00 54.24 H new ATOM 0 HA THR A 458 12.087 4.364 6.062 1.00 33.10 H new ATOM 0 HB THR A 458 11.894 2.959 4.000 1.00 4.41 H new ATOM 0 HG1 THR A 458 14.015 1.986 4.471 1.00 73.03 H new ATOM 0 HG21 THR A 458 13.749 3.018 2.375 1.00 50.20 H new ATOM 0 HG22 THR A 458 12.723 4.469 2.292 1.00 50.20 H new ATOM 0 HG23 THR A 458 14.312 4.547 3.090 1.00 50.20 H new ATOM 2310 N GLN A 459 13.366 6.838 4.301 1.00 53.20 N ATOM 2311 CA GLN A 459 14.188 8.057 4.427 1.00 4.31 C ATOM 2312 C GLN A 459 13.724 8.909 5.634 1.00 4.44 C ATOM 2313 O GLN A 459 14.550 9.487 6.340 1.00 23.24 O ATOM 2314 CB GLN A 459 14.105 8.882 3.122 1.00 22.21 C ATOM 2315 CG GLN A 459 14.584 8.126 1.862 1.00 64.23 C ATOM 2316 CD GLN A 459 14.435 8.917 0.549 1.00 34.23 C ATOM 2317 OE1 GLN A 459 14.191 8.337 -0.510 1.00 51.45 O ATOM 2318 NE2 GLN A 459 14.623 10.240 0.591 1.00 14.24 N ATOM 0 H GLN A 459 12.784 6.816 3.464 1.00 53.20 H new ATOM 0 HA GLN A 459 15.224 7.764 4.598 1.00 4.31 H new ATOM 0 HB2 GLN A 459 13.073 9.199 2.971 1.00 22.21 H new ATOM 0 HB3 GLN A 459 14.703 9.786 3.238 1.00 22.21 H new ATOM 0 HG2 GLN A 459 15.632 7.856 1.992 1.00 64.23 H new ATOM 0 HG3 GLN A 459 14.023 7.195 1.777 1.00 64.23 H new ATOM 0 HE21 GLN A 459 14.824 10.699 1.480 1.00 14.24 H new ATOM 0 HE22 GLN A 459 14.566 10.791 -0.266 1.00 14.24 H new ATOM 2327 N GLN A 460 12.393 8.958 5.859 1.00 21.22 N ATOM 2328 CA GLN A 460 11.775 9.711 6.977 1.00 2.40 C ATOM 2329 C GLN A 460 12.171 9.096 8.332 1.00 51.20 C ATOM 2330 O GLN A 460 12.440 9.821 9.285 1.00 44.44 O ATOM 2331 CB GLN A 460 10.223 9.739 6.833 1.00 32.02 C ATOM 2332 CG GLN A 460 9.452 10.453 7.968 1.00 30.34 C ATOM 2333 CD GLN A 460 9.710 11.963 8.042 1.00 32.23 C ATOM 2334 OE1 GLN A 460 8.983 12.762 7.451 1.00 30.32 O ATOM 2335 NE2 GLN A 460 10.753 12.368 8.757 1.00 41.33 N ATOM 0 H GLN A 460 11.714 8.476 5.270 1.00 21.22 H new ATOM 0 HA GLN A 460 12.146 10.735 6.938 1.00 2.40 H new ATOM 0 HB2 GLN A 460 9.974 10.224 5.889 1.00 32.02 H new ATOM 0 HB3 GLN A 460 9.865 8.712 6.767 1.00 32.02 H new ATOM 0 HG2 GLN A 460 8.384 10.283 7.831 1.00 30.34 H new ATOM 0 HG3 GLN A 460 9.727 10.000 8.921 1.00 30.34 H new ATOM 0 HE21 GLN A 460 11.339 11.685 9.237 1.00 41.33 H new ATOM 0 HE22 GLN A 460 10.968 13.363 8.827 1.00 41.33 H new ATOM 2344 N PHE A 461 12.196 7.755 8.382 1.00 51.22 N ATOM 2345 CA PHE A 461 12.599 6.992 9.577 1.00 3.40 C ATOM 2346 C PHE A 461 14.056 7.306 9.934 1.00 65.20 C ATOM 2347 O PHE A 461 14.362 7.690 11.066 1.00 51.05 O ATOM 2348 CB PHE A 461 12.422 5.467 9.318 1.00 75.31 C ATOM 2349 CG PHE A 461 12.963 4.547 10.425 1.00 51.22 C ATOM 2350 CD1 PHE A 461 12.540 4.694 11.744 1.00 13.34 C ATOM 2351 CD2 PHE A 461 13.895 3.546 10.143 1.00 52.00 C ATOM 2352 CE1 PHE A 461 13.022 3.870 12.742 1.00 73.31 C ATOM 2353 CE2 PHE A 461 14.376 2.720 11.144 1.00 72.22 C ATOM 2354 CZ PHE A 461 13.944 2.889 12.445 1.00 14.23 C ATOM 0 H PHE A 461 11.936 7.165 7.591 1.00 51.22 H new ATOM 0 HA PHE A 461 11.965 7.281 10.415 1.00 3.40 H new ATOM 0 HB2 PHE A 461 11.361 5.259 9.181 1.00 75.31 H new ATOM 0 HB3 PHE A 461 12.920 5.214 8.382 1.00 75.31 H new ATOM 0 HD1 PHE A 461 11.824 5.464 11.990 1.00 13.34 H new ATOM 0 HD2 PHE A 461 14.245 3.415 9.130 1.00 52.00 H new ATOM 0 HE1 PHE A 461 12.676 3.994 13.757 1.00 73.31 H new ATOM 0 HE2 PHE A 461 15.089 1.944 10.908 1.00 72.22 H new ATOM 0 HZ PHE A 461 14.328 2.253 13.229 1.00 14.23 H new ATOM 2364 N THR A 462 14.933 7.148 8.933 1.00 44.12 N ATOM 2365 CA THR A 462 16.379 7.330 9.094 1.00 31.24 C ATOM 2366 C THR A 462 16.736 8.783 9.480 1.00 31.41 C ATOM 2367 O THR A 462 17.637 8.999 10.282 1.00 71.31 O ATOM 2368 CB THR A 462 17.134 6.922 7.784 1.00 45.12 C ATOM 2369 OG1 THR A 462 16.663 5.639 7.338 1.00 2.55 O ATOM 2370 CG2 THR A 462 18.655 6.840 7.987 1.00 33.54 C ATOM 0 H THR A 462 14.657 6.889 7.986 1.00 44.12 H new ATOM 0 HA THR A 462 16.698 6.680 9.909 1.00 31.24 H new ATOM 0 HB THR A 462 16.931 7.694 7.042 1.00 45.12 H new ATOM 0 HG1 THR A 462 15.809 5.749 6.869 1.00 2.55 H new ATOM 0 HG21 THR A 462 19.132 6.554 7.050 1.00 33.54 H new ATOM 0 HG22 THR A 462 19.033 7.812 8.304 1.00 33.54 H new ATOM 0 HG23 THR A 462 18.881 6.096 8.751 1.00 33.54 H new ATOM 2378 N ALA A 463 15.992 9.762 8.931 1.00 43.20 N ATOM 2379 CA ALA A 463 16.255 11.196 9.164 1.00 72.10 C ATOM 2380 C ALA A 463 15.749 11.634 10.550 1.00 61.54 C ATOM 2381 O ALA A 463 16.511 12.176 11.359 1.00 73.44 O ATOM 2382 CB ALA A 463 15.592 12.035 8.068 1.00 30.32 C ATOM 0 H ALA A 463 15.197 9.584 8.317 1.00 43.20 H new ATOM 0 HA ALA A 463 17.333 11.355 9.133 1.00 72.10 H new ATOM 0 HB1 ALA A 463 15.791 13.091 8.248 1.00 30.32 H new ATOM 0 HB2 ALA A 463 15.996 11.750 7.097 1.00 30.32 H new ATOM 0 HB3 ALA A 463 14.516 11.862 8.078 1.00 30.32 H new ATOM 2388 N MET A 464 14.466 11.334 10.826 1.00 31.33 N ATOM 2389 CA MET A 464 13.786 11.753 12.073 1.00 34.25 C ATOM 2390 C MET A 464 14.483 11.151 13.298 1.00 13.13 C ATOM 2391 O MET A 464 14.576 11.798 14.342 1.00 14.31 O ATOM 2392 CB MET A 464 12.292 11.332 12.043 1.00 73.21 C ATOM 2393 CG MET A 464 11.457 11.757 13.265 1.00 42.43 C ATOM 2394 SD MET A 464 9.733 11.227 13.140 1.00 22.13 S ATOM 2395 CE MET A 464 9.181 12.081 11.663 1.00 73.21 C ATOM 0 H MET A 464 13.871 10.797 10.196 1.00 31.33 H new ATOM 0 HA MET A 464 13.841 12.839 12.144 1.00 34.25 H new ATOM 0 HB2 MET A 464 11.833 11.751 11.148 1.00 73.21 H new ATOM 0 HB3 MET A 464 12.240 10.247 11.949 1.00 73.21 H new ATOM 0 HG2 MET A 464 11.899 11.336 14.168 1.00 42.43 H new ATOM 0 HG3 MET A 464 11.494 12.842 13.368 1.00 42.43 H new ATOM 0 HE1 MET A 464 8.120 12.313 11.752 1.00 73.21 H new ATOM 0 HE2 MET A 464 9.746 13.005 11.545 1.00 73.21 H new ATOM 0 HE3 MET A 464 9.341 11.444 10.793 1.00 73.21 H new ATOM 2405 N ASN A 465 14.999 9.924 13.129 1.00 74.41 N ATOM 2406 CA ASN A 465 15.779 9.236 14.160 1.00 63.31 C ATOM 2407 C ASN A 465 17.210 9.838 14.206 1.00 13.12 C ATOM 2408 O ASN A 465 17.590 10.465 15.205 1.00 23.33 O ATOM 2409 CB ASN A 465 15.781 7.705 13.863 1.00 11.32 C ATOM 2410 CG ASN A 465 16.358 6.822 14.983 1.00 21.33 C ATOM 2411 OD1 ASN A 465 17.226 7.229 15.751 1.00 45.10 O ATOM 2412 ND2 ASN A 465 15.911 5.578 15.048 1.00 73.31 N ATOM 0 H ASN A 465 14.885 9.383 12.272 1.00 74.41 H new ATOM 0 HA ASN A 465 15.335 9.378 15.145 1.00 63.31 H new ATOM 0 HB2 ASN A 465 14.757 7.388 13.663 1.00 11.32 H new ATOM 0 HB3 ASN A 465 16.353 7.528 12.952 1.00 11.32 H new ATOM 0 HD21 ASN A 465 16.288 4.936 15.746 1.00 73.31 H new ATOM 0 HD22 ASN A 465 15.190 5.261 14.400 1.00 73.31 H new ATOM 2419 N LYS A 466 17.996 9.646 13.117 1.00 72.41 N ATOM 2420 CA LYS A 466 19.379 10.175 12.992 1.00 4.44 C ATOM 2421 C LYS A 466 19.557 11.071 11.734 1.00 31.10 C ATOM 2422 O LYS A 466 19.955 10.593 10.663 1.00 0.33 O ATOM 2423 CB LYS A 466 20.450 9.023 13.035 1.00 61.32 C ATOM 2424 CG LYS A 466 20.229 7.832 12.049 1.00 11.14 C ATOM 2425 CD LYS A 466 19.356 6.701 12.634 1.00 3.43 C ATOM 2426 CE LYS A 466 20.028 6.014 13.837 1.00 14.43 C ATOM 2427 NZ LYS A 466 19.160 4.977 14.449 1.00 33.30 N ATOM 0 H LYS A 466 17.689 9.119 12.299 1.00 72.41 H new ATOM 0 HA LYS A 466 19.548 10.812 13.860 1.00 4.44 H new ATOM 0 HB2 LYS A 466 21.428 9.458 12.831 1.00 61.32 H new ATOM 0 HB3 LYS A 466 20.483 8.625 14.049 1.00 61.32 H new ATOM 0 HG2 LYS A 466 19.762 8.207 11.138 1.00 11.14 H new ATOM 0 HG3 LYS A 466 21.198 7.422 11.764 1.00 11.14 H new ATOM 0 HD2 LYS A 466 18.393 7.109 12.941 1.00 3.43 H new ATOM 0 HD3 LYS A 466 19.156 5.961 11.860 1.00 3.43 H new ATOM 0 HE2 LYS A 466 20.964 5.558 13.516 1.00 14.43 H new ATOM 0 HE3 LYS A 466 20.279 6.764 14.587 1.00 14.43 H new ATOM 0 HZ1 LYS A 466 18.623 5.394 15.236 1.00 33.30 H new ATOM 0 HZ2 LYS A 466 18.499 4.612 13.734 1.00 33.30 H new ATOM 0 HZ3 LYS A 466 19.749 4.198 14.806 1.00 33.30 H new ATOM 2441 N SER A 467 19.178 12.361 11.839 1.00 44.13 N ATOM 2442 CA SER A 467 19.620 13.410 10.888 1.00 14.42 C ATOM 2443 C SER A 467 21.179 13.465 10.826 1.00 10.52 C ATOM 2444 O SER A 467 21.798 13.960 11.792 1.00 12.02 O ATOM 2445 CB SER A 467 19.042 14.788 11.309 1.00 72.33 C ATOM 2446 OG SER A 467 17.625 14.785 11.337 1.00 71.24 O ATOM 2447 OXT SER A 467 21.771 12.983 9.835 1.00 38.21 O ATOM 0 H SER A 467 18.563 12.706 12.576 1.00 44.13 H new ATOM 0 HA SER A 467 19.246 13.164 9.894 1.00 14.42 H new ATOM 0 HB2 SER A 467 19.423 15.055 12.295 1.00 72.33 H new ATOM 0 HB3 SER A 467 19.389 15.554 10.615 1.00 72.33 H new ATOM 0 HG SER A 467 17.300 13.861 11.326 1.00 71.24 H new