USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1234 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 460 GLN :FLIP amide:sc= -1.25 F(o=-2.8,f=-2.1) USER MOD Set 1.2: A 464 MET CE :methyl 152:sc= -0.874 (180deg=0) USER MOD Set 2.1: A 439 GLN :FLIP amide:sc= -0.0177 X(o=-0.21,f=-0.061) USER MOD Set 2.2: A 442 GLN :FLIP amide:sc= -0.0431 F(o=-1.5,f=-0.061) USER MOD Set 3.1: A 79 LYS NZ :NH3+ 180:sc= 0.747 (180deg=-0.00226) USER MOD Set 3.2: A 451 ASN : amide:sc= 0.667 K(o=1.4,f=-1.9) USER MOD Set 4.1: A 18 SER OG : rot -19:sc= 1.44 USER MOD Set 4.2: A 74 ASN :FLIP amide:sc= 0.669 F(o=0.76,f=2.1) USER MOD Set 5.1: A 40 TYR OH : rot -30:sc= 0.227 USER MOD Set 5.2: A 71 THR OG1 : rot -160:sc= 1.08 USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0348 (180deg=-0.045) USER MOD Single : A 4 THR OG1 : rot -112:sc= 0.206 USER MOD Single : A 9 ASN : amide:sc= -0.832 X(o=-0.83,f=-0.42) USER MOD Single : A 12 GLN : amide:sc= 0.0906 K(o=0.091,f=-1.9) USER MOD Single : A 19 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 20 SER OG : rot 77:sc= 0.965 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 43 SER OG : rot 69:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 48 MET CE :methyl -138:sc= -0.251 (180deg=-2.18!) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 1.23 (180deg=-0.165) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 127:sc= 0.477 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 166:sc= -3.65! (180deg=-4.08!) 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= -0.817 F(o=-2.3!,f=-0.82) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc=-0.00409 F(o=-0.84,f=-0.0041) USER MOD Single : A 84 GLN : amide:sc= -0.243 X(o=-0.24,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= -0.0464 X(o=-0.046,f=-0.066) USER MOD Single : A 99 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.095) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot -72:sc= 0.341 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot 80:sc= 1.11 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -119:sc=-0.00504 (180deg=-2.05!) USER MOD Single : A 447 MET CE :methyl 160:sc= -3.18! (180deg=-3.48!) USER MOD Single : A 448 SER OG : rot 24:sc=-0.00223 USER MOD Single : A 449 LYS NZ :NH3+ 170:sc= 0.695 (180deg=0.624) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 453 THR OG1 : rot 151:sc= -0.969 USER MOD Single : A 454 SER OG : rot -81:sc= 0.217 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.141 F(o=-1.6,f=-0.14) USER MOD Single : A 462 THR OG1 : rot 72:sc= 1.32 USER MOD Single : A 465 ASN : amide:sc= -0.881 X(o=-0.88,f=-1.2) USER MOD Single : A 466 LYS NZ :NH3+ -170:sc= -0.0132 (180deg=-0.123) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.261 21.799 20.950 1.00 13.32 N ATOM 2 CA MET A 1 -0.433 21.677 19.729 1.00 60.00 C ATOM 3 C MET A 1 -1.121 20.732 18.718 1.00 34.31 C ATOM 4 O MET A 1 -0.956 19.508 18.776 1.00 63.23 O ATOM 5 CB MET A 1 1.024 21.238 20.092 1.00 31.15 C ATOM 6 CG MET A 1 1.149 20.041 21.046 1.00 13.40 C ATOM 7 SD MET A 1 2.868 19.688 21.475 1.00 74.53 S ATOM 8 CE MET A 1 2.704 18.264 22.549 1.00 52.13 C ATOM 0 H1 MET A 1 -0.768 22.395 21.645 1.00 13.32 H new ATOM 0 H2 MET A 1 -2.175 22.233 20.708 1.00 13.32 H new ATOM 0 H3 MET A 1 -1.422 20.855 21.356 1.00 13.32 H new ATOM 0 HA MET A 1 -0.345 22.650 19.245 1.00 60.00 H new ATOM 0 HB2 MET A 1 1.550 20.997 19.168 1.00 31.15 H new ATOM 0 HB3 MET A 1 1.538 22.089 20.539 1.00 31.15 H new ATOM 0 HG2 MET A 1 0.583 20.243 21.956 1.00 13.40 H new ATOM 0 HG3 MET A 1 0.704 19.161 20.582 1.00 13.40 H new ATOM 0 HE1 MET A 1 3.691 17.945 22.884 1.00 52.13 H new ATOM 0 HE2 MET A 1 2.095 18.529 23.414 1.00 52.13 H new ATOM 0 HE3 MET A 1 2.226 17.450 22.004 1.00 52.13 H new ATOM 20 N THR A 2 -1.926 21.329 17.813 1.00 14.11 N ATOM 21 CA THR A 2 -2.801 20.591 16.880 1.00 22.43 C ATOM 22 C THR A 2 -1.997 19.769 15.855 1.00 61.54 C ATOM 23 O THR A 2 -2.331 18.610 15.584 1.00 20.33 O ATOM 24 CB THR A 2 -3.775 21.559 16.128 1.00 21.44 C ATOM 25 OG1 THR A 2 -3.024 22.526 15.361 1.00 53.03 O ATOM 26 CG2 THR A 2 -4.713 22.301 17.096 1.00 53.31 C ATOM 0 H THR A 2 -1.987 22.342 17.710 1.00 14.11 H new ATOM 0 HA THR A 2 -3.384 19.899 17.488 1.00 22.43 H new ATOM 0 HB THR A 2 -4.386 20.947 15.464 1.00 21.44 H new ATOM 0 HG1 THR A 2 -3.643 23.125 14.894 1.00 53.03 H new ATOM 0 HG21 THR A 2 -5.371 22.961 16.531 1.00 53.31 H new ATOM 0 HG22 THR A 2 -5.313 21.577 17.648 1.00 53.31 H new ATOM 0 HG23 THR A 2 -4.121 22.891 17.796 1.00 53.31 H new ATOM 34 N SER A 3 -0.919 20.376 15.325 1.00 54.25 N ATOM 35 CA SER A 3 -0.078 19.762 14.284 1.00 52.13 C ATOM 36 C SER A 3 0.704 18.557 14.845 1.00 34.42 C ATOM 37 O SER A 3 0.895 17.547 14.154 1.00 61.54 O ATOM 38 CB SER A 3 0.877 20.826 13.702 1.00 42.11 C ATOM 39 OG SER A 3 0.150 21.970 13.270 1.00 14.20 O ATOM 0 H SER A 3 -0.608 21.305 15.607 1.00 54.25 H new ATOM 0 HA SER A 3 -0.717 19.388 13.484 1.00 52.13 H new ATOM 0 HB2 SER A 3 1.609 21.117 14.456 1.00 42.11 H new ATOM 0 HB3 SER A 3 1.433 20.404 12.865 1.00 42.11 H new ATOM 0 HG SER A 3 0.772 22.634 12.906 1.00 14.20 H new ATOM 45 N THR A 4 1.124 18.672 16.112 1.00 24.34 N ATOM 46 CA THR A 4 1.873 17.620 16.802 1.00 61.13 C ATOM 47 C THR A 4 0.960 16.430 17.171 1.00 3.14 C ATOM 48 O THR A 4 1.359 15.278 16.993 1.00 1.12 O ATOM 49 CB THR A 4 2.572 18.191 18.074 1.00 43.02 C ATOM 50 OG1 THR A 4 3.426 19.284 17.700 1.00 3.23 O ATOM 51 CG2 THR A 4 3.405 17.135 18.818 1.00 64.41 C ATOM 0 H THR A 4 0.953 19.498 16.685 1.00 24.34 H new ATOM 0 HA THR A 4 2.639 17.252 16.119 1.00 61.13 H new ATOM 0 HB THR A 4 1.785 18.525 18.750 1.00 43.02 H new ATOM 0 HG1 THR A 4 4.362 19.030 17.840 1.00 3.23 H new ATOM 0 HG21 THR A 4 3.868 17.588 19.694 1.00 64.41 H new ATOM 0 HG22 THR A 4 2.758 16.316 19.132 1.00 64.41 H new ATOM 0 HG23 THR A 4 4.181 16.750 18.156 1.00 64.41 H new ATOM 59 N VAL A 5 -0.271 16.706 17.657 1.00 34.50 N ATOM 60 CA VAL A 5 -1.188 15.632 18.106 1.00 54.23 C ATOM 61 C VAL A 5 -1.732 14.828 16.901 1.00 74.54 C ATOM 62 O VAL A 5 -1.837 13.599 16.981 1.00 42.11 O ATOM 63 CB VAL A 5 -2.364 16.176 19.013 1.00 13.44 C ATOM 64 CG1 VAL A 5 -3.358 17.059 18.235 1.00 43.23 C ATOM 65 CG2 VAL A 5 -3.092 15.023 19.752 1.00 3.31 C ATOM 0 H VAL A 5 -0.649 17.649 17.748 1.00 34.50 H new ATOM 0 HA VAL A 5 -0.603 14.957 18.731 1.00 54.23 H new ATOM 0 HB VAL A 5 -1.901 16.817 19.764 1.00 13.44 H new ATOM 0 HG11 VAL A 5 -4.143 17.403 18.908 1.00 43.23 H new ATOM 0 HG12 VAL A 5 -2.833 17.919 17.820 1.00 43.23 H new ATOM 0 HG13 VAL A 5 -3.803 16.480 17.426 1.00 43.23 H new ATOM 0 HG21 VAL A 5 -3.894 15.433 20.366 1.00 3.31 H new ATOM 0 HG22 VAL A 5 -3.512 14.331 19.022 1.00 3.31 H new ATOM 0 HG23 VAL A 5 -2.383 14.494 20.388 1.00 3.31 H new ATOM 75 N GLU A 6 -2.024 15.526 15.771 1.00 72.53 N ATOM 76 CA GLU A 6 -2.503 14.874 14.534 1.00 55.54 C ATOM 77 C GLU A 6 -1.373 14.007 13.935 1.00 53.12 C ATOM 78 O GLU A 6 -1.624 12.915 13.428 1.00 32.03 O ATOM 79 CB GLU A 6 -3.028 15.914 13.496 1.00 11.44 C ATOM 80 CG GLU A 6 -1.953 16.853 12.924 1.00 4.42 C ATOM 81 CD GLU A 6 -2.481 17.873 11.905 1.00 44.53 C ATOM 82 OE1 GLU A 6 -2.832 19.008 12.292 1.00 70.14 O ATOM 83 OE2 GLU A 6 -2.531 17.553 10.707 1.00 32.53 O ATOM 0 H GLU A 6 -1.934 16.539 15.697 1.00 72.53 H new ATOM 0 HA GLU A 6 -3.347 14.232 14.788 1.00 55.54 H new ATOM 0 HB2 GLU A 6 -3.498 15.378 12.672 1.00 11.44 H new ATOM 0 HB3 GLU A 6 -3.804 16.517 13.968 1.00 11.44 H new ATOM 0 HG2 GLU A 6 -1.482 17.390 13.747 1.00 4.42 H new ATOM 0 HG3 GLU A 6 -1.177 16.252 12.450 1.00 4.42 H new ATOM 90 N PHE A 7 -0.125 14.520 14.028 1.00 34.53 N ATOM 91 CA PHE A 7 1.100 13.786 13.662 1.00 31.53 C ATOM 92 C PHE A 7 1.161 12.423 14.404 1.00 1.24 C ATOM 93 O PHE A 7 1.214 11.375 13.757 1.00 55.11 O ATOM 94 CB PHE A 7 2.318 14.700 13.990 1.00 50.33 C ATOM 95 CG PHE A 7 3.703 14.082 13.871 1.00 63.35 C ATOM 96 CD1 PHE A 7 4.391 14.082 12.662 1.00 65.44 C ATOM 97 CD2 PHE A 7 4.330 13.523 14.985 1.00 44.44 C ATOM 98 CE1 PHE A 7 5.665 13.556 12.579 1.00 73.13 C ATOM 99 CE2 PHE A 7 5.596 12.998 14.889 1.00 72.12 C ATOM 100 CZ PHE A 7 6.259 13.009 13.687 1.00 32.12 C ATOM 0 H PHE A 7 0.058 15.466 14.363 1.00 34.53 H new ATOM 0 HA PHE A 7 1.111 13.551 12.598 1.00 31.53 H new ATOM 0 HB2 PHE A 7 2.277 15.567 13.330 1.00 50.33 H new ATOM 0 HB3 PHE A 7 2.199 15.069 15.009 1.00 50.33 H new ATOM 0 HD1 PHE A 7 3.925 14.497 11.781 1.00 65.44 H new ATOM 0 HD2 PHE A 7 3.814 13.503 15.934 1.00 44.44 H new ATOM 0 HE1 PHE A 7 6.195 13.576 11.638 1.00 73.13 H new ATOM 0 HE2 PHE A 7 6.071 12.575 15.762 1.00 72.12 H new ATOM 0 HZ PHE A 7 7.250 12.586 13.614 1.00 32.12 H new ATOM 110 N ILE A 8 1.071 12.475 15.754 1.00 65.25 N ATOM 111 CA ILE A 8 1.129 11.285 16.639 1.00 14.12 C ATOM 112 C ILE A 8 0.058 10.242 16.254 1.00 34.03 C ATOM 113 O ILE A 8 0.386 9.091 15.937 1.00 12.51 O ATOM 114 CB ILE A 8 0.907 11.689 18.153 1.00 31.44 C ATOM 115 CG1 ILE A 8 2.010 12.676 18.645 1.00 2.21 C ATOM 116 CG2 ILE A 8 0.828 10.438 19.069 1.00 10.43 C ATOM 117 CD1 ILE A 8 1.779 13.266 20.032 1.00 33.31 C ATOM 0 H ILE A 8 0.955 13.350 16.265 1.00 65.25 H new ATOM 0 HA ILE A 8 2.121 10.852 16.513 1.00 14.12 H new ATOM 0 HB ILE A 8 -0.052 12.204 18.215 1.00 31.44 H new ATOM 0 HG12 ILE A 8 2.968 12.156 18.644 1.00 2.21 H new ATOM 0 HG13 ILE A 8 2.090 13.493 17.928 1.00 2.21 H new ATOM 0 HG21 ILE A 8 0.675 10.752 20.102 1.00 10.43 H new ATOM 0 HG22 ILE A 8 -0.004 9.809 18.754 1.00 10.43 H new ATOM 0 HG23 ILE A 8 1.758 9.874 18.995 1.00 10.43 H new ATOM 0 HD11 ILE A 8 2.599 13.938 20.283 1.00 33.31 H new ATOM 0 HD12 ILE A 8 0.840 13.820 20.040 1.00 33.31 H new ATOM 0 HD13 ILE A 8 1.732 12.462 20.766 1.00 33.31 H new ATOM 129 N ASN A 9 -1.214 10.697 16.283 1.00 42.11 N ATOM 130 CA ASN A 9 -2.406 9.841 16.099 1.00 43.55 C ATOM 131 C ASN A 9 -2.364 9.094 14.775 1.00 14.23 C ATOM 132 O ASN A 9 -2.604 7.891 14.739 1.00 63.01 O ATOM 133 CB ASN A 9 -3.705 10.689 16.166 1.00 35.34 C ATOM 134 CG ASN A 9 -3.934 11.342 17.525 1.00 54.32 C ATOM 135 OD1 ASN A 9 -3.594 10.780 18.567 1.00 42.31 O ATOM 136 ND2 ASN A 9 -4.507 12.532 17.523 1.00 74.42 N ATOM 0 H ASN A 9 -1.444 11.679 16.436 1.00 42.11 H new ATOM 0 HA ASN A 9 -2.403 9.111 16.909 1.00 43.55 H new ATOM 0 HB2 ASN A 9 -3.663 11.465 15.401 1.00 35.34 H new ATOM 0 HB3 ASN A 9 -4.558 10.053 15.929 1.00 35.34 H new ATOM 0 HD21 ASN A 9 -4.681 13.016 18.404 1.00 74.42 H new ATOM 0 HD22 ASN A 9 -4.775 12.967 16.640 1.00 74.42 H new ATOM 143 N ARG A 10 -2.038 9.819 13.694 1.00 32.14 N ATOM 144 CA ARG A 10 -2.082 9.263 12.336 1.00 4.35 C ATOM 145 C ARG A 10 -0.910 8.319 12.075 1.00 51.40 C ATOM 146 O ARG A 10 -1.085 7.371 11.336 1.00 40.35 O ATOM 147 CB ARG A 10 -2.153 10.380 11.286 1.00 71.45 C ATOM 148 CG ARG A 10 -3.391 11.282 11.446 1.00 24.24 C ATOM 149 CD ARG A 10 -3.390 12.450 10.466 1.00 3.52 C ATOM 150 NE ARG A 10 -2.136 13.230 10.540 1.00 71.01 N ATOM 151 CZ ARG A 10 -1.964 14.456 10.044 1.00 0.34 C ATOM 152 NH1 ARG A 10 -2.962 15.086 9.434 1.00 12.15 N ATOM 153 NH2 ARG A 10 -0.791 15.063 10.160 1.00 61.23 N ATOM 0 H ARG A 10 -1.741 10.794 13.736 1.00 32.14 H new ATOM 0 HA ARG A 10 -2.993 8.670 12.251 1.00 4.35 H new ATOM 0 HB2 ARG A 10 -1.254 10.992 11.354 1.00 71.45 H new ATOM 0 HB3 ARG A 10 -2.161 9.935 10.291 1.00 71.45 H new ATOM 0 HG2 ARG A 10 -4.292 10.687 11.297 1.00 24.24 H new ATOM 0 HG3 ARG A 10 -3.428 11.667 12.465 1.00 24.24 H new ATOM 0 HD2 ARG A 10 -3.524 12.073 9.452 1.00 3.52 H new ATOM 0 HD3 ARG A 10 -4.237 13.103 10.678 1.00 3.52 H new ATOM 0 HE ARG A 10 -1.340 12.796 11.007 1.00 71.01 H new ATOM 0 HH11 ARG A 10 -3.871 14.632 9.341 1.00 12.15 H new ATOM 0 HH12 ARG A 10 -2.819 16.024 9.058 1.00 12.15 H new ATOM 0 HH21 ARG A 10 -0.017 14.592 10.629 1.00 61.23 H new ATOM 0 HH22 ARG A 10 -0.662 16.001 9.780 1.00 61.23 H new ATOM 167 N TRP A 11 0.271 8.568 12.690 1.00 72.45 N ATOM 168 CA TRP A 11 1.406 7.609 12.635 1.00 33.44 C ATOM 169 C TRP A 11 1.042 6.297 13.349 1.00 61.21 C ATOM 170 O TRP A 11 1.425 5.210 12.897 1.00 61.04 O ATOM 171 CB TRP A 11 2.714 8.210 13.225 1.00 73.12 C ATOM 172 CG TRP A 11 3.472 9.090 12.256 1.00 61.14 C ATOM 173 CD1 TRP A 11 3.712 10.426 12.359 1.00 74.24 C ATOM 174 CD2 TRP A 11 4.085 8.674 11.022 1.00 34.11 C ATOM 175 NE1 TRP A 11 4.431 10.864 11.281 1.00 40.54 N ATOM 176 CE2 TRP A 11 4.676 9.812 10.450 1.00 63.02 C ATOM 177 CE3 TRP A 11 4.195 7.448 10.350 1.00 73.15 C ATOM 178 CZ2 TRP A 11 5.362 9.770 9.245 1.00 61.12 C ATOM 179 CZ3 TRP A 11 4.874 7.407 9.148 1.00 50.23 C ATOM 180 CH2 TRP A 11 5.453 8.567 8.612 1.00 42.33 C ATOM 0 H TRP A 11 0.464 9.415 13.225 1.00 72.45 H new ATOM 0 HA TRP A 11 1.596 7.396 11.583 1.00 33.44 H new ATOM 0 HB2 TRP A 11 2.467 8.792 14.113 1.00 73.12 H new ATOM 0 HB3 TRP A 11 3.364 7.396 13.547 1.00 73.12 H new ATOM 0 HD1 TRP A 11 3.382 11.051 13.176 1.00 74.24 H new ATOM 0 HE1 TRP A 11 4.735 11.825 11.124 1.00 40.54 H new ATOM 0 HE3 TRP A 11 3.757 6.552 10.765 1.00 73.15 H new ATOM 0 HZ2 TRP A 11 5.808 10.659 8.824 1.00 61.12 H new ATOM 0 HZ3 TRP A 11 4.960 6.472 8.615 1.00 50.23 H new ATOM 0 HH2 TRP A 11 5.984 8.505 7.674 1.00 42.33 H new ATOM 191 N GLN A 12 0.298 6.422 14.467 1.00 35.43 N ATOM 192 CA GLN A 12 -0.265 5.274 15.192 1.00 33.20 C ATOM 193 C GLN A 12 -1.219 4.489 14.267 1.00 4.55 C ATOM 194 O GLN A 12 -1.143 3.263 14.207 1.00 14.14 O ATOM 195 CB GLN A 12 -0.999 5.757 16.473 1.00 23.22 C ATOM 196 CG GLN A 12 -1.735 4.653 17.260 1.00 54.13 C ATOM 197 CD GLN A 12 -2.548 5.171 18.446 1.00 50.13 C ATOM 198 OE1 GLN A 12 -3.016 6.312 18.455 1.00 25.51 O ATOM 199 NE2 GLN A 12 -2.759 4.320 19.436 1.00 13.42 N ATOM 0 H GLN A 12 0.073 7.323 14.889 1.00 35.43 H new ATOM 0 HA GLN A 12 0.542 4.608 15.498 1.00 33.20 H new ATOM 0 HB2 GLN A 12 -0.272 6.229 17.133 1.00 23.22 H new ATOM 0 HB3 GLN A 12 -1.721 6.524 16.192 1.00 23.22 H new ATOM 0 HG2 GLN A 12 -2.401 4.120 16.581 1.00 54.13 H new ATOM 0 HG3 GLN A 12 -1.004 3.930 17.622 1.00 54.13 H new ATOM 0 HE21 GLN A 12 -2.357 3.383 19.398 1.00 13.42 H new ATOM 0 HE22 GLN A 12 -3.323 4.600 20.238 1.00 13.42 H new ATOM 208 N ARG A 13 -2.085 5.226 13.522 1.00 13.01 N ATOM 209 CA ARG A 13 -2.996 4.623 12.526 1.00 42.23 C ATOM 210 C ARG A 13 -2.182 3.867 11.463 1.00 14.12 C ATOM 211 O ARG A 13 -2.437 2.709 11.219 1.00 61.14 O ATOM 212 CB ARG A 13 -3.896 5.686 11.820 1.00 33.41 C ATOM 213 CG ARG A 13 -4.701 6.615 12.754 1.00 4.15 C ATOM 214 CD ARG A 13 -5.597 5.872 13.751 1.00 61.42 C ATOM 215 NE ARG A 13 -6.258 6.805 14.687 1.00 54.52 N ATOM 216 CZ ARG A 13 -6.043 6.856 16.014 1.00 44.15 C ATOM 217 NH1 ARG A 13 -5.181 6.023 16.596 1.00 1.22 N ATOM 218 NH2 ARG A 13 -6.697 7.738 16.757 1.00 63.10 N ATOM 0 H ARG A 13 -2.167 6.240 13.597 1.00 13.01 H new ATOM 0 HA ARG A 13 -3.650 3.938 13.065 1.00 42.23 H new ATOM 0 HB2 ARG A 13 -3.263 6.303 11.182 1.00 33.41 H new ATOM 0 HB3 ARG A 13 -4.596 5.165 11.166 1.00 33.41 H new ATOM 0 HG2 ARG A 13 -4.007 7.248 13.307 1.00 4.15 H new ATOM 0 HG3 ARG A 13 -5.320 7.276 12.147 1.00 4.15 H new ATOM 0 HD2 ARG A 13 -6.352 5.303 13.209 1.00 61.42 H new ATOM 0 HD3 ARG A 13 -5.000 5.154 14.313 1.00 61.42 H new ATOM 0 HE ARG A 13 -6.932 7.463 14.295 1.00 54.52 H new ATOM 0 HH11 ARG A 13 -4.676 5.337 16.034 1.00 1.22 H new ATOM 0 HH12 ARG A 13 -5.026 6.071 17.603 1.00 1.22 H new ATOM 0 HH21 ARG A 13 -7.363 8.377 16.322 1.00 63.10 H new ATOM 0 HH22 ARG A 13 -6.535 7.777 17.763 1.00 63.10 H new ATOM 232 N ILE A 14 -1.161 4.538 10.905 1.00 24.21 N ATOM 233 CA ILE A 14 -0.322 4.010 9.807 1.00 63.23 C ATOM 234 C ILE A 14 0.306 2.648 10.189 1.00 65.14 C ATOM 235 O ILE A 14 0.235 1.698 9.418 1.00 5.13 O ATOM 236 CB ILE A 14 0.798 5.067 9.416 1.00 62.43 C ATOM 237 CG1 ILE A 14 0.161 6.342 8.783 1.00 14.01 C ATOM 238 CG2 ILE A 14 1.862 4.480 8.470 1.00 31.41 C ATOM 239 CD1 ILE A 14 1.109 7.524 8.608 1.00 43.53 C ATOM 0 H ILE A 14 -0.889 5.474 11.205 1.00 24.21 H new ATOM 0 HA ILE A 14 -0.958 3.844 8.938 1.00 63.23 H new ATOM 0 HB ILE A 14 1.303 5.341 10.342 1.00 62.43 H new ATOM 0 HG12 ILE A 14 -0.249 6.078 7.808 1.00 14.01 H new ATOM 0 HG13 ILE A 14 -0.676 6.658 9.406 1.00 14.01 H new ATOM 0 HG21 ILE A 14 2.602 5.245 8.236 1.00 31.41 H new ATOM 0 HG22 ILE A 14 2.353 3.636 8.954 1.00 31.41 H new ATOM 0 HG23 ILE A 14 1.385 4.143 7.550 1.00 31.41 H new ATOM 0 HD11 ILE A 14 0.570 8.359 8.161 1.00 43.53 H new ATOM 0 HD12 ILE A 14 1.500 7.823 9.580 1.00 43.53 H new ATOM 0 HD13 ILE A 14 1.935 7.235 7.958 1.00 43.53 H new ATOM 251 N ALA A 15 0.833 2.562 11.418 1.00 23.04 N ATOM 252 CA ALA A 15 1.557 1.377 11.915 1.00 24.30 C ATOM 253 C ALA A 15 0.611 0.200 12.253 1.00 3.30 C ATOM 254 O ALA A 15 0.868 -0.960 11.876 1.00 10.42 O ATOM 255 CB ALA A 15 2.363 1.772 13.149 1.00 64.45 C ATOM 0 H ALA A 15 0.770 3.316 12.102 1.00 23.04 H new ATOM 0 HA ALA A 15 2.218 1.030 11.121 1.00 24.30 H new ATOM 0 HB1 ALA A 15 2.903 0.903 13.525 1.00 64.45 H new ATOM 0 HB2 ALA A 15 3.075 2.554 12.884 1.00 64.45 H new ATOM 0 HB3 ALA A 15 1.688 2.142 13.921 1.00 64.45 H new ATOM 261 N LEU A 16 -0.475 0.500 12.991 1.00 1.21 N ATOM 262 CA LEU A 16 -1.425 -0.525 13.464 1.00 32.00 C ATOM 263 C LEU A 16 -2.267 -1.063 12.288 1.00 45.34 C ATOM 264 O LEU A 16 -2.515 -2.271 12.198 1.00 43.43 O ATOM 265 CB LEU A 16 -2.321 0.043 14.604 1.00 32.12 C ATOM 266 CG LEU A 16 -1.561 0.594 15.858 1.00 2.43 C ATOM 267 CD1 LEU A 16 -2.541 1.096 16.933 1.00 74.33 C ATOM 268 CD2 LEU A 16 -0.572 -0.437 16.441 1.00 63.22 C ATOM 0 H LEU A 16 -0.717 1.450 13.274 1.00 1.21 H new ATOM 0 HA LEU A 16 -0.863 -1.363 13.877 1.00 32.00 H new ATOM 0 HB2 LEU A 16 -2.934 0.845 14.193 1.00 32.12 H new ATOM 0 HB3 LEU A 16 -3.002 -0.743 14.931 1.00 32.12 H new ATOM 0 HG LEU A 16 -0.971 1.445 15.519 1.00 2.43 H new ATOM 0 HD11 LEU A 16 -1.981 1.471 17.789 1.00 74.33 H new ATOM 0 HD12 LEU A 16 -3.154 1.897 16.521 1.00 74.33 H new ATOM 0 HD13 LEU A 16 -3.183 0.275 17.252 1.00 74.33 H new ATOM 0 HD21 LEU A 16 -0.069 -0.009 17.308 1.00 63.22 H new ATOM 0 HD22 LEU A 16 -1.115 -1.333 16.742 1.00 63.22 H new ATOM 0 HD23 LEU A 16 0.168 -0.699 15.685 1.00 63.22 H new ATOM 280 N LEU A 17 -2.655 -0.153 11.368 1.00 31.04 N ATOM 281 CA LEU A 17 -3.428 -0.501 10.159 1.00 63.42 C ATOM 282 C LEU A 17 -2.566 -1.299 9.178 1.00 20.01 C ATOM 283 O LEU A 17 -3.070 -2.252 8.604 1.00 12.01 O ATOM 284 CB LEU A 17 -4.024 0.751 9.443 1.00 24.41 C ATOM 285 CG LEU A 17 -5.096 1.559 10.242 1.00 41.23 C ATOM 286 CD1 LEU A 17 -5.585 2.785 9.439 1.00 24.12 C ATOM 287 CD2 LEU A 17 -6.266 0.661 10.687 1.00 52.13 C ATOM 0 H LEU A 17 -2.441 0.841 11.444 1.00 31.04 H new ATOM 0 HA LEU A 17 -4.265 -1.114 10.493 1.00 63.42 H new ATOM 0 HB2 LEU A 17 -3.204 1.424 9.192 1.00 24.41 H new ATOM 0 HB3 LEU A 17 -4.470 0.428 8.502 1.00 24.41 H new ATOM 0 HG LEU A 17 -4.620 1.933 11.148 1.00 41.23 H new ATOM 0 HD11 LEU A 17 -6.330 3.327 10.021 1.00 24.12 H new ATOM 0 HD12 LEU A 17 -4.741 3.442 9.228 1.00 24.12 H new ATOM 0 HD13 LEU A 17 -6.029 2.452 8.501 1.00 24.12 H new ATOM 0 HD21 LEU A 17 -6.992 1.257 11.240 1.00 52.13 H new ATOM 0 HD22 LEU A 17 -6.746 0.227 9.810 1.00 52.13 H new ATOM 0 HD23 LEU A 17 -5.889 -0.137 11.327 1.00 52.13 H new ATOM 299 N SER A 18 -1.268 -0.919 9.009 1.00 63.53 N ATOM 300 CA SER A 18 -0.338 -1.632 8.093 1.00 74.54 C ATOM 301 C SER A 18 -0.193 -3.098 8.509 1.00 4.15 C ATOM 302 O SER A 18 -0.225 -3.996 7.660 1.00 13.51 O ATOM 303 CB SER A 18 1.056 -0.961 8.036 1.00 64.22 C ATOM 304 OG SER A 18 1.665 -0.875 9.307 1.00 72.21 O ATOM 0 H SER A 18 -0.846 -0.127 9.494 1.00 63.53 H new ATOM 0 HA SER A 18 -0.772 -1.579 7.095 1.00 74.54 H new ATOM 0 HB2 SER A 18 1.701 -1.527 7.365 1.00 64.22 H new ATOM 0 HB3 SER A 18 0.958 0.040 7.615 1.00 64.22 H new ATOM 0 HG SER A 18 0.983 -0.973 10.004 1.00 72.21 H new ATOM 310 N GLN A 19 -0.046 -3.318 9.830 1.00 42.52 N ATOM 311 CA GLN A 19 0.043 -4.668 10.407 1.00 2.40 C ATOM 312 C GLN A 19 -1.268 -5.457 10.160 1.00 13.43 C ATOM 313 O GLN A 19 -1.229 -6.626 9.755 1.00 14.13 O ATOM 314 CB GLN A 19 0.370 -4.575 11.922 1.00 13.33 C ATOM 315 CG GLN A 19 0.623 -5.936 12.610 1.00 21.21 C ATOM 316 CD GLN A 19 1.070 -5.837 14.075 1.00 30.12 C ATOM 317 OE1 GLN A 19 1.836 -6.680 14.559 1.00 14.21 O ATOM 318 NE2 GLN A 19 0.583 -4.837 14.806 1.00 41.40 N ATOM 0 H GLN A 19 0.014 -2.569 10.520 1.00 42.52 H new ATOM 0 HA GLN A 19 0.850 -5.211 9.915 1.00 2.40 H new ATOM 0 HB2 GLN A 19 1.252 -3.947 12.052 1.00 13.33 H new ATOM 0 HB3 GLN A 19 -0.455 -4.074 12.428 1.00 13.33 H new ATOM 0 HG2 GLN A 19 -0.291 -6.528 12.562 1.00 21.21 H new ATOM 0 HG3 GLN A 19 1.384 -6.477 12.047 1.00 21.21 H new ATOM 0 HE21 GLN A 19 -0.047 -4.155 14.383 1.00 41.40 H new ATOM 0 HE22 GLN A 19 0.840 -4.752 15.790 1.00 41.40 H new ATOM 327 N SER A 20 -2.414 -4.773 10.360 1.00 34.44 N ATOM 328 CA SER A 20 -3.754 -5.370 10.201 1.00 41.44 C ATOM 329 C SER A 20 -4.018 -5.824 8.745 1.00 64.03 C ATOM 330 O SER A 20 -4.366 -6.985 8.511 1.00 35.52 O ATOM 331 CB SER A 20 -4.847 -4.374 10.667 1.00 23.10 C ATOM 332 OG SER A 20 -4.710 -4.059 12.047 1.00 61.20 O ATOM 0 H SER A 20 -2.435 -3.791 10.636 1.00 34.44 H new ATOM 0 HA SER A 20 -3.792 -6.260 10.829 1.00 41.44 H new ATOM 0 HB2 SER A 20 -4.784 -3.460 10.076 1.00 23.10 H new ATOM 0 HB3 SER A 20 -5.833 -4.803 10.487 1.00 23.10 H new ATOM 0 HG SER A 20 -3.970 -3.428 12.167 1.00 61.20 H new ATOM 338 N LEU A 21 -3.818 -4.914 7.773 1.00 12.54 N ATOM 339 CA LEU A 21 -4.083 -5.193 6.349 1.00 50.40 C ATOM 340 C LEU A 21 -3.046 -6.161 5.765 1.00 23.32 C ATOM 341 O LEU A 21 -3.314 -6.820 4.764 1.00 74.30 O ATOM 342 CB LEU A 21 -4.214 -3.869 5.521 1.00 32.04 C ATOM 343 CG LEU A 21 -3.026 -2.838 5.568 1.00 33.33 C ATOM 344 CD1 LEU A 21 -1.821 -3.262 4.724 1.00 11.43 C ATOM 345 CD2 LEU A 21 -3.484 -1.417 5.185 1.00 2.03 C ATOM 0 H LEU A 21 -3.471 -3.972 7.951 1.00 12.54 H new ATOM 0 HA LEU A 21 -5.047 -5.696 6.279 1.00 50.40 H new ATOM 0 HB2 LEU A 21 -4.375 -4.144 4.478 1.00 32.04 H new ATOM 0 HB3 LEU A 21 -5.114 -3.354 5.857 1.00 32.04 H new ATOM 0 HG LEU A 21 -2.694 -2.825 6.606 1.00 33.33 H new ATOM 0 HD11 LEU A 21 -1.039 -2.507 4.801 1.00 11.43 H new ATOM 0 HD12 LEU A 21 -1.441 -4.217 5.087 1.00 11.43 H new ATOM 0 HD13 LEU A 21 -2.125 -3.365 3.682 1.00 11.43 H new ATOM 0 HD21 LEU A 21 -2.634 -0.736 5.230 1.00 2.03 H new ATOM 0 HD22 LEU A 21 -3.889 -1.426 4.173 1.00 2.03 H new ATOM 0 HD23 LEU A 21 -4.254 -1.083 5.881 1.00 2.03 H new ATOM 357 N LEU A 22 -1.860 -6.238 6.406 1.00 72.33 N ATOM 358 CA LEU A 22 -0.828 -7.226 6.055 1.00 14.42 C ATOM 359 C LEU A 22 -1.337 -8.650 6.343 1.00 33.41 C ATOM 360 O LEU A 22 -1.158 -9.551 5.518 1.00 41.02 O ATOM 361 CB LEU A 22 0.476 -6.963 6.840 1.00 32.40 C ATOM 362 CG LEU A 22 1.657 -7.938 6.546 1.00 43.12 C ATOM 363 CD1 LEU A 22 2.104 -7.857 5.071 1.00 53.42 C ATOM 364 CD2 LEU A 22 2.826 -7.688 7.509 1.00 13.14 C ATOM 0 H LEU A 22 -1.596 -5.621 7.174 1.00 72.33 H new ATOM 0 HA LEU A 22 -0.614 -7.131 4.990 1.00 14.42 H new ATOM 0 HB2 LEU A 22 0.807 -5.947 6.626 1.00 32.40 H new ATOM 0 HB3 LEU A 22 0.251 -7.007 7.906 1.00 32.40 H new ATOM 0 HG LEU A 22 1.302 -8.954 6.715 1.00 43.12 H new ATOM 0 HD11 LEU A 22 2.929 -8.550 4.902 1.00 53.42 H new ATOM 0 HD12 LEU A 22 1.269 -8.122 4.423 1.00 53.42 H new ATOM 0 HD13 LEU A 22 2.431 -6.842 4.845 1.00 53.42 H new ATOM 0 HD21 LEU A 22 3.637 -8.380 7.284 1.00 13.14 H new ATOM 0 HD22 LEU A 22 3.180 -6.664 7.393 1.00 13.14 H new ATOM 0 HD23 LEU A 22 2.492 -7.842 8.535 1.00 13.14 H new ATOM 376 N GLU A 23 -1.966 -8.824 7.533 1.00 23.22 N ATOM 377 CA GLU A 23 -2.639 -10.085 7.916 1.00 43.33 C ATOM 378 C GLU A 23 -3.725 -10.442 6.880 1.00 15.40 C ATOM 379 O GLU A 23 -3.795 -11.575 6.411 1.00 5.00 O ATOM 380 CB GLU A 23 -3.266 -9.961 9.331 1.00 74.22 C ATOM 381 CG GLU A 23 -2.258 -9.641 10.455 1.00 24.33 C ATOM 382 CD GLU A 23 -2.933 -9.371 11.809 1.00 33.32 C ATOM 383 OE1 GLU A 23 -2.706 -10.134 12.782 1.00 32.34 O ATOM 384 OE2 GLU A 23 -3.708 -8.399 11.900 1.00 4.22 O ATOM 0 H GLU A 23 -2.019 -8.098 8.247 1.00 23.22 H new ATOM 0 HA GLU A 23 -1.896 -10.882 7.938 1.00 43.33 H new ATOM 0 HB2 GLU A 23 -4.026 -9.180 9.310 1.00 74.22 H new ATOM 0 HB3 GLU A 23 -3.774 -10.895 9.572 1.00 74.22 H new ATOM 0 HG2 GLU A 23 -1.564 -10.475 10.561 1.00 24.33 H new ATOM 0 HG3 GLU A 23 -1.668 -8.770 10.169 1.00 24.33 H new ATOM 391 N LEU A 24 -4.522 -9.428 6.508 1.00 50.03 N ATOM 392 CA LEU A 24 -5.627 -9.563 5.532 1.00 21.45 C ATOM 393 C LEU A 24 -5.103 -9.920 4.120 1.00 53.10 C ATOM 394 O LEU A 24 -5.760 -10.648 3.378 1.00 45.23 O ATOM 395 CB LEU A 24 -6.451 -8.244 5.511 1.00 21.11 C ATOM 396 CG LEU A 24 -7.048 -7.821 6.892 1.00 45.13 C ATOM 397 CD1 LEU A 24 -7.633 -6.395 6.860 1.00 75.22 C ATOM 398 CD2 LEU A 24 -8.079 -8.851 7.391 1.00 2.33 C ATOM 0 H LEU A 24 -4.421 -8.482 6.876 1.00 50.03 H new ATOM 0 HA LEU A 24 -6.272 -10.386 5.841 1.00 21.45 H new ATOM 0 HB2 LEU A 24 -5.813 -7.440 5.145 1.00 21.11 H new ATOM 0 HB3 LEU A 24 -7.267 -8.353 4.797 1.00 21.11 H new ATOM 0 HG LEU A 24 -6.226 -7.803 7.608 1.00 45.13 H new ATOM 0 HD11 LEU A 24 -8.036 -6.145 7.841 1.00 75.22 H new ATOM 0 HD12 LEU A 24 -6.848 -5.685 6.599 1.00 75.22 H new ATOM 0 HD13 LEU A 24 -8.429 -6.345 6.117 1.00 75.22 H new ATOM 0 HD21 LEU A 24 -8.477 -8.530 8.354 1.00 2.33 H new ATOM 0 HD22 LEU A 24 -8.893 -8.930 6.670 1.00 2.33 H new ATOM 0 HD23 LEU A 24 -7.598 -9.823 7.503 1.00 2.33 H new ATOM 410 N ALA A 25 -3.895 -9.420 3.784 1.00 61.12 N ATOM 411 CA ALA A 25 -3.242 -9.663 2.482 1.00 61.22 C ATOM 412 C ALA A 25 -2.732 -11.112 2.388 1.00 33.32 C ATOM 413 O ALA A 25 -2.956 -11.787 1.380 1.00 24.31 O ATOM 414 CB ALA A 25 -2.082 -8.672 2.270 1.00 4.43 C ATOM 0 H ALA A 25 -3.344 -8.834 4.411 1.00 61.12 H new ATOM 0 HA ALA A 25 -3.981 -9.509 1.696 1.00 61.22 H new ATOM 0 HB1 ALA A 25 -1.611 -8.864 1.306 1.00 4.43 H new ATOM 0 HB2 ALA A 25 -2.467 -7.652 2.289 1.00 4.43 H new ATOM 0 HB3 ALA A 25 -1.347 -8.797 3.065 1.00 4.43 H new ATOM 420 N GLN A 26 -2.052 -11.580 3.461 1.00 43.04 N ATOM 421 CA GLN A 26 -1.449 -12.935 3.509 1.00 43.22 C ATOM 422 C GLN A 26 -2.513 -14.030 3.746 1.00 13.54 C ATOM 423 O GLN A 26 -2.251 -15.216 3.514 1.00 72.45 O ATOM 424 CB GLN A 26 -0.321 -13.004 4.576 1.00 13.33 C ATOM 425 CG GLN A 26 -0.784 -12.793 6.030 1.00 74.43 C ATOM 426 CD GLN A 26 0.346 -12.731 7.060 1.00 32.44 C ATOM 427 OE1 GLN A 26 1.500 -12.187 6.689 1.00 3.54 O flip ATOM 428 NE2 GLN A 26 0.164 -13.130 8.212 1.00 23.51 N flip ATOM 0 H GLN A 26 -1.906 -11.035 4.311 1.00 43.04 H new ATOM 0 HA GLN A 26 -1.003 -13.128 2.533 1.00 43.22 H new ATOM 0 HB2 GLN A 26 0.167 -13.976 4.504 1.00 13.33 H new ATOM 0 HB3 GLN A 26 0.430 -12.251 4.337 1.00 13.33 H new ATOM 0 HG2 GLN A 26 -1.357 -11.867 6.083 1.00 74.43 H new ATOM 0 HG3 GLN A 26 -1.461 -13.603 6.302 1.00 74.43 H new ATOM 0 HE21 GLN A 26 -0.731 -13.544 8.473 1.00 23.51 H new ATOM 0 HE22 GLN A 26 0.908 -13.046 8.904 1.00 23.51 H new ATOM 437 N ARG A 27 -3.703 -13.622 4.229 1.00 65.33 N ATOM 438 CA ARG A 27 -4.886 -14.504 4.292 1.00 14.22 C ATOM 439 C ARG A 27 -5.644 -14.470 2.948 1.00 53.11 C ATOM 440 O ARG A 27 -6.313 -15.441 2.581 1.00 3.52 O ATOM 441 CB ARG A 27 -5.820 -14.089 5.452 1.00 5.41 C ATOM 442 CG ARG A 27 -5.269 -14.361 6.864 1.00 21.22 C ATOM 443 CD ARG A 27 -6.309 -14.062 7.958 1.00 52.52 C ATOM 444 NE ARG A 27 -7.556 -14.830 7.756 1.00 32.24 N ATOM 445 CZ ARG A 27 -7.904 -15.946 8.433 1.00 44.43 C ATOM 446 NH1 ARG A 27 -7.115 -16.455 9.388 1.00 31.25 N ATOM 447 NH2 ARG A 27 -9.036 -16.562 8.141 1.00 50.40 N ATOM 0 H ARG A 27 -3.871 -12.681 4.584 1.00 65.33 H new ATOM 0 HA ARG A 27 -4.548 -15.523 4.479 1.00 14.22 H new ATOM 0 HB2 ARG A 27 -6.035 -13.024 5.362 1.00 5.41 H new ATOM 0 HB3 ARG A 27 -6.768 -14.616 5.341 1.00 5.41 H new ATOM 0 HG2 ARG A 27 -4.956 -15.403 6.936 1.00 21.22 H new ATOM 0 HG3 ARG A 27 -4.382 -13.750 7.031 1.00 21.22 H new ATOM 0 HD2 ARG A 27 -5.888 -14.302 8.934 1.00 52.52 H new ATOM 0 HD3 ARG A 27 -6.536 -12.996 7.962 1.00 52.52 H new ATOM 0 HE ARG A 27 -8.206 -14.490 7.048 1.00 32.24 H new ATOM 0 HH11 ARG A 27 -6.232 -15.999 9.617 1.00 31.25 H new ATOM 0 HH12 ARG A 27 -7.397 -17.299 9.887 1.00 31.25 H new ATOM 0 HH21 ARG A 27 -9.642 -16.194 7.408 1.00 50.40 H new ATOM 0 HH22 ARG A 27 -9.304 -17.405 8.649 1.00 50.40 H new ATOM 461 N GLY A 28 -5.507 -13.350 2.217 1.00 74.33 N ATOM 462 CA GLY A 28 -6.058 -13.206 0.862 1.00 42.13 C ATOM 463 C GLY A 28 -7.337 -12.386 0.780 1.00 75.05 C ATOM 464 O GLY A 28 -7.893 -12.255 -0.314 1.00 31.20 O ATOM 0 H GLY A 28 -5.012 -12.522 2.550 1.00 74.33 H new ATOM 0 HA2 GLY A 28 -5.304 -12.743 0.225 1.00 42.13 H new ATOM 0 HA3 GLY A 28 -6.252 -14.199 0.456 1.00 42.13 H new ATOM 468 N GLU A 29 -7.828 -11.845 1.914 1.00 71.34 N ATOM 469 CA GLU A 29 -8.975 -10.912 1.914 1.00 21.40 C ATOM 470 C GLU A 29 -8.570 -9.581 1.258 1.00 54.31 C ATOM 471 O GLU A 29 -8.097 -8.662 1.938 1.00 34.35 O ATOM 472 CB GLU A 29 -9.541 -10.640 3.342 1.00 41.12 C ATOM 473 CG GLU A 29 -10.214 -11.834 4.059 1.00 11.43 C ATOM 474 CD GLU A 29 -9.234 -12.836 4.690 1.00 34.30 C ATOM 475 OE1 GLU A 29 -8.768 -13.752 3.982 1.00 74.32 O ATOM 476 OE2 GLU A 29 -8.942 -12.723 5.904 1.00 15.12 O ATOM 0 H GLU A 29 -7.449 -12.038 2.841 1.00 71.34 H new ATOM 0 HA GLU A 29 -9.768 -11.391 1.340 1.00 21.40 H new ATOM 0 HB2 GLU A 29 -8.725 -10.282 3.969 1.00 41.12 H new ATOM 0 HB3 GLU A 29 -10.268 -9.831 3.272 1.00 41.12 H new ATOM 0 HG2 GLU A 29 -10.872 -11.449 4.838 1.00 11.43 H new ATOM 0 HG3 GLU A 29 -10.843 -12.363 3.343 1.00 11.43 H new ATOM 483 N TRP A 30 -8.730 -9.507 -0.076 1.00 10.33 N ATOM 484 CA TRP A 30 -8.419 -8.300 -0.855 1.00 75.44 C ATOM 485 C TRP A 30 -9.410 -7.187 -0.520 1.00 4.15 C ATOM 486 O TRP A 30 -9.025 -6.040 -0.438 1.00 22.43 O ATOM 487 CB TRP A 30 -8.409 -8.590 -2.383 1.00 42.25 C ATOM 488 CG TRP A 30 -7.554 -9.780 -2.782 1.00 71.12 C ATOM 489 CD1 TRP A 30 -7.918 -10.818 -3.597 1.00 73.12 C ATOM 490 CD2 TRP A 30 -6.200 -10.062 -2.362 1.00 62.50 C ATOM 491 NE1 TRP A 30 -6.890 -11.715 -3.709 1.00 2.01 N ATOM 492 CE2 TRP A 30 -5.828 -11.275 -2.962 1.00 74.31 C ATOM 493 CE3 TRP A 30 -5.269 -9.407 -1.538 1.00 14.12 C ATOM 494 CZ2 TRP A 30 -4.579 -11.845 -2.766 1.00 41.40 C ATOM 495 CZ3 TRP A 30 -4.029 -9.974 -1.344 1.00 33.41 C ATOM 496 CH2 TRP A 30 -3.692 -11.184 -1.957 1.00 72.32 C ATOM 0 H TRP A 30 -9.078 -10.282 -0.641 1.00 10.33 H new ATOM 0 HA TRP A 30 -7.416 -7.972 -0.581 1.00 75.44 H new ATOM 0 HB2 TRP A 30 -9.432 -8.763 -2.716 1.00 42.25 H new ATOM 0 HB3 TRP A 30 -8.049 -7.705 -2.908 1.00 42.25 H new ATOM 0 HD1 TRP A 30 -8.878 -10.915 -4.082 1.00 73.12 H new ATOM 0 HE1 TRP A 30 -6.911 -12.573 -4.260 1.00 2.01 H new ATOM 0 HE3 TRP A 30 -5.523 -8.471 -1.063 1.00 14.12 H new ATOM 0 HZ2 TRP A 30 -4.314 -12.780 -3.236 1.00 41.40 H new ATOM 0 HZ3 TRP A 30 -3.309 -9.478 -0.711 1.00 33.41 H new ATOM 0 HH2 TRP A 30 -2.712 -11.607 -1.790 1.00 72.32 H new ATOM 507 N ASP A 31 -10.683 -7.561 -0.295 1.00 25.43 N ATOM 508 CA ASP A 31 -11.760 -6.613 0.070 1.00 32.24 C ATOM 509 C ASP A 31 -11.393 -5.820 1.338 1.00 74.02 C ATOM 510 O ASP A 31 -11.505 -4.593 1.369 1.00 5.04 O ATOM 511 CB ASP A 31 -13.097 -7.374 0.290 1.00 63.45 C ATOM 512 CG ASP A 31 -13.534 -8.173 -0.950 1.00 64.13 C ATOM 513 OD1 ASP A 31 -13.185 -9.374 -1.058 1.00 0.41 O ATOM 514 OD2 ASP A 31 -14.208 -7.605 -1.834 1.00 61.22 O ATOM 0 H ASP A 31 -10.997 -8.529 -0.360 1.00 25.43 H new ATOM 0 HA ASP A 31 -11.881 -5.909 -0.753 1.00 32.24 H new ATOM 0 HB2 ASP A 31 -12.989 -8.053 1.136 1.00 63.45 H new ATOM 0 HB3 ASP A 31 -13.878 -6.660 0.552 1.00 63.45 H new ATOM 519 N LEU A 32 -10.912 -6.545 2.360 1.00 13.31 N ATOM 520 CA LEU A 32 -10.542 -5.960 3.663 1.00 50.14 C ATOM 521 C LEU A 32 -9.198 -5.206 3.574 1.00 22.01 C ATOM 522 O LEU A 32 -9.020 -4.174 4.229 1.00 62.34 O ATOM 523 CB LEU A 32 -10.494 -7.066 4.744 1.00 34.42 C ATOM 524 CG LEU A 32 -11.842 -7.786 5.048 1.00 41.23 C ATOM 525 CD1 LEU A 32 -11.664 -8.847 6.151 1.00 24.44 C ATOM 526 CD2 LEU A 32 -12.951 -6.773 5.415 1.00 60.40 C ATOM 0 H LEU A 32 -10.768 -7.553 2.309 1.00 13.31 H new ATOM 0 HA LEU A 32 -11.303 -5.232 3.946 1.00 50.14 H new ATOM 0 HB2 LEU A 32 -9.766 -7.816 4.435 1.00 34.42 H new ATOM 0 HB3 LEU A 32 -10.124 -6.625 5.670 1.00 34.42 H new ATOM 0 HG LEU A 32 -12.158 -8.299 4.140 1.00 41.23 H new ATOM 0 HD11 LEU A 32 -12.619 -9.335 6.344 1.00 24.44 H new ATOM 0 HD12 LEU A 32 -10.936 -9.591 5.827 1.00 24.44 H new ATOM 0 HD13 LEU A 32 -11.310 -8.367 7.064 1.00 24.44 H new ATOM 0 HD21 LEU A 32 -13.878 -7.308 5.621 1.00 60.40 H new ATOM 0 HD22 LEU A 32 -12.652 -6.211 6.300 1.00 60.40 H new ATOM 0 HD23 LEU A 32 -13.106 -6.086 4.583 1.00 60.40 H new ATOM 538 N LEU A 33 -8.270 -5.738 2.755 1.00 53.03 N ATOM 539 CA LEU A 33 -6.980 -5.083 2.436 1.00 30.32 C ATOM 540 C LEU A 33 -7.222 -3.684 1.822 1.00 1.45 C ATOM 541 O LEU A 33 -6.605 -2.698 2.230 1.00 20.42 O ATOM 542 CB LEU A 33 -6.180 -5.971 1.439 1.00 3.33 C ATOM 543 CG LEU A 33 -4.824 -5.389 0.919 1.00 73.23 C ATOM 544 CD1 LEU A 33 -3.803 -5.240 2.052 1.00 24.34 C ATOM 545 CD2 LEU A 33 -4.254 -6.230 -0.238 1.00 74.54 C ATOM 0 H LEU A 33 -8.392 -6.639 2.292 1.00 53.03 H new ATOM 0 HA LEU A 33 -6.406 -4.962 3.355 1.00 30.32 H new ATOM 0 HB2 LEU A 33 -5.978 -6.928 1.920 1.00 3.33 H new ATOM 0 HB3 LEU A 33 -6.816 -6.175 0.578 1.00 3.33 H new ATOM 0 HG LEU A 33 -5.030 -4.392 0.530 1.00 73.23 H new ATOM 0 HD11 LEU A 33 -2.874 -4.833 1.653 1.00 24.34 H new ATOM 0 HD12 LEU A 33 -4.198 -4.565 2.811 1.00 24.34 H new ATOM 0 HD13 LEU A 33 -3.610 -6.215 2.498 1.00 24.34 H new ATOM 0 HD21 LEU A 33 -3.312 -5.796 -0.574 1.00 74.54 H new ATOM 0 HD22 LEU A 33 -4.082 -7.250 0.104 1.00 74.54 H new ATOM 0 HD23 LEU A 33 -4.964 -6.240 -1.065 1.00 74.54 H new ATOM 557 N LEU A 34 -8.162 -3.632 0.860 1.00 70.52 N ATOM 558 CA LEU A 34 -8.510 -2.414 0.106 1.00 32.53 C ATOM 559 C LEU A 34 -9.396 -1.468 0.944 1.00 42.02 C ATOM 560 O LEU A 34 -9.411 -0.254 0.714 1.00 30.44 O ATOM 561 CB LEU A 34 -9.221 -2.808 -1.213 1.00 41.52 C ATOM 562 CG LEU A 34 -8.376 -3.657 -2.215 1.00 34.44 C ATOM 563 CD1 LEU A 34 -9.246 -4.203 -3.358 1.00 45.35 C ATOM 564 CD2 LEU A 34 -7.173 -2.865 -2.753 1.00 71.15 C ATOM 0 H LEU A 34 -8.709 -4.447 0.581 1.00 70.52 H new ATOM 0 HA LEU A 34 -7.592 -1.875 -0.128 1.00 32.53 H new ATOM 0 HB2 LEU A 34 -10.123 -3.367 -0.964 1.00 41.52 H new ATOM 0 HB3 LEU A 34 -9.540 -1.896 -1.718 1.00 41.52 H new ATOM 0 HG LEU A 34 -7.981 -4.512 -1.666 1.00 34.44 H new ATOM 0 HD11 LEU A 34 -8.628 -4.789 -4.038 1.00 45.35 H new ATOM 0 HD12 LEU A 34 -10.033 -4.835 -2.946 1.00 45.35 H new ATOM 0 HD13 LEU A 34 -9.696 -3.372 -3.902 1.00 45.35 H new ATOM 0 HD21 LEU A 34 -6.608 -3.488 -3.447 1.00 71.15 H new ATOM 0 HD22 LEU A 34 -7.527 -1.973 -3.271 1.00 71.15 H new ATOM 0 HD23 LEU A 34 -6.530 -2.572 -1.923 1.00 71.15 H new ATOM 576 N GLN A 35 -10.127 -2.036 1.917 1.00 32.40 N ATOM 577 CA GLN A 35 -10.916 -1.255 2.886 1.00 34.43 C ATOM 578 C GLN A 35 -9.970 -0.415 3.764 1.00 13.45 C ATOM 579 O GLN A 35 -10.249 0.748 4.077 1.00 73.32 O ATOM 580 CB GLN A 35 -11.774 -2.214 3.763 1.00 43.11 C ATOM 581 CG GLN A 35 -12.667 -1.515 4.814 1.00 30.51 C ATOM 582 CD GLN A 35 -13.773 -0.626 4.221 1.00 15.03 C ATOM 583 OE1 GLN A 35 -14.133 0.400 4.798 1.00 2.03 O ATOM 584 NE2 GLN A 35 -14.357 -1.023 3.095 1.00 33.41 N ATOM 0 H GLN A 35 -10.188 -3.045 2.055 1.00 32.40 H new ATOM 0 HA GLN A 35 -11.587 -0.582 2.353 1.00 34.43 H new ATOM 0 HB2 GLN A 35 -12.409 -2.811 3.108 1.00 43.11 H new ATOM 0 HB3 GLN A 35 -11.107 -2.906 4.277 1.00 43.11 H new ATOM 0 HG2 GLN A 35 -13.128 -2.276 5.444 1.00 30.51 H new ATOM 0 HG3 GLN A 35 -12.036 -0.905 5.461 1.00 30.51 H new ATOM 0 HE21 GLN A 35 -14.044 -1.876 2.632 1.00 33.41 H new ATOM 0 HE22 GLN A 35 -15.118 -0.474 2.694 1.00 33.41 H new ATOM 593 N GLN A 36 -8.832 -1.028 4.137 1.00 73.23 N ATOM 594 CA GLN A 36 -7.808 -0.387 4.976 1.00 41.10 C ATOM 595 C GLN A 36 -6.796 0.405 4.130 1.00 34.45 C ATOM 596 O GLN A 36 -6.103 1.261 4.669 1.00 54.51 O ATOM 597 CB GLN A 36 -7.086 -1.453 5.841 1.00 72.52 C ATOM 598 CG GLN A 36 -8.014 -2.224 6.801 1.00 0.30 C ATOM 599 CD GLN A 36 -8.778 -1.321 7.782 1.00 5.41 C ATOM 600 OE1 GLN A 36 -8.296 -0.269 8.200 1.00 44.11 O ATOM 601 NE2 GLN A 36 -9.981 -1.724 8.150 1.00 5.12 N ATOM 0 H GLN A 36 -8.598 -1.983 3.864 1.00 73.23 H new ATOM 0 HA GLN A 36 -8.307 0.324 5.634 1.00 41.10 H new ATOM 0 HB2 GLN A 36 -6.592 -2.166 5.181 1.00 72.52 H new ATOM 0 HB3 GLN A 36 -6.305 -0.964 6.423 1.00 72.52 H new ATOM 0 HG2 GLN A 36 -8.732 -2.798 6.215 1.00 0.30 H new ATOM 0 HG3 GLN A 36 -7.420 -2.941 7.368 1.00 0.30 H new ATOM 0 HE21 GLN A 36 -10.358 -2.600 7.789 1.00 5.12 H new ATOM 0 HE22 GLN A 36 -10.533 -1.159 8.795 1.00 5.12 H new ATOM 610 N GLU A 37 -6.725 0.096 2.809 1.00 10.44 N ATOM 611 CA GLU A 37 -5.855 0.805 1.834 1.00 35.15 C ATOM 612 C GLU A 37 -6.020 2.327 1.942 1.00 12.21 C ATOM 613 O GLU A 37 -5.062 3.045 2.215 1.00 64.45 O ATOM 614 CB GLU A 37 -6.230 0.406 0.381 1.00 55.44 C ATOM 615 CG GLU A 37 -5.490 1.198 -0.726 1.00 44.22 C ATOM 616 CD GLU A 37 -6.106 0.996 -2.116 1.00 0.12 C ATOM 617 OE1 GLU A 37 -7.025 1.770 -2.478 1.00 34.34 O ATOM 618 OE2 GLU A 37 -5.709 0.073 -2.840 1.00 33.20 O ATOM 0 H GLU A 37 -7.272 -0.655 2.389 1.00 10.44 H new ATOM 0 HA GLU A 37 -4.828 0.522 2.064 1.00 35.15 H new ATOM 0 HB2 GLU A 37 -6.024 -0.656 0.247 1.00 55.44 H new ATOM 0 HB3 GLU A 37 -7.303 0.542 0.248 1.00 55.44 H new ATOM 0 HG2 GLU A 37 -5.505 2.259 -0.478 1.00 44.22 H new ATOM 0 HG3 GLU A 37 -4.445 0.890 -0.749 1.00 44.22 H new ATOM 625 N VAL A 38 -7.271 2.778 1.712 1.00 52.11 N ATOM 626 CA VAL A 38 -7.620 4.199 1.656 1.00 53.22 C ATOM 627 C VAL A 38 -7.278 4.909 2.976 1.00 14.03 C ATOM 628 O VAL A 38 -6.693 5.985 2.954 1.00 42.42 O ATOM 629 CB VAL A 38 -9.135 4.407 1.272 1.00 53.33 C ATOM 630 CG1 VAL A 38 -9.400 3.941 -0.180 1.00 13.51 C ATOM 631 CG2 VAL A 38 -10.084 3.686 2.260 1.00 53.11 C ATOM 0 H VAL A 38 -8.066 2.157 1.560 1.00 52.11 H new ATOM 0 HA VAL A 38 -7.018 4.653 0.869 1.00 53.22 H new ATOM 0 HB VAL A 38 -9.345 5.475 1.339 1.00 53.33 H new ATOM 0 HG11 VAL A 38 -10.451 4.093 -0.425 1.00 13.51 H new ATOM 0 HG12 VAL A 38 -8.780 4.518 -0.866 1.00 13.51 H new ATOM 0 HG13 VAL A 38 -9.155 2.883 -0.273 1.00 13.51 H new ATOM 0 HG21 VAL A 38 -11.118 3.854 1.960 1.00 53.11 H new ATOM 0 HG22 VAL A 38 -9.873 2.617 2.252 1.00 53.11 H new ATOM 0 HG23 VAL A 38 -9.930 4.079 3.265 1.00 53.11 H new ATOM 641 N SER A 39 -7.588 4.250 4.110 1.00 52.33 N ATOM 642 CA SER A 39 -7.320 4.771 5.460 1.00 61.44 C ATOM 643 C SER A 39 -5.802 4.985 5.666 1.00 21.04 C ATOM 644 O SER A 39 -5.352 6.054 6.079 1.00 1.25 O ATOM 645 CB SER A 39 -7.863 3.757 6.497 1.00 71.11 C ATOM 646 OG SER A 39 -9.201 3.382 6.192 1.00 51.42 O ATOM 0 H SER A 39 -8.035 3.333 4.112 1.00 52.33 H new ATOM 0 HA SER A 39 -7.816 5.733 5.587 1.00 61.44 H new ATOM 0 HB2 SER A 39 -7.228 2.871 6.512 1.00 71.11 H new ATOM 0 HB3 SER A 39 -7.823 4.195 7.494 1.00 71.11 H new ATOM 0 HG SER A 39 -9.521 2.740 6.860 1.00 51.42 H new ATOM 652 N TYR A 40 -5.051 3.952 5.272 1.00 63.04 N ATOM 653 CA TYR A 40 -3.609 3.813 5.496 1.00 60.12 C ATOM 654 C TYR A 40 -2.797 4.818 4.653 1.00 45.22 C ATOM 655 O TYR A 40 -2.086 5.669 5.211 1.00 33.31 O ATOM 656 CB TYR A 40 -3.243 2.346 5.155 1.00 33.33 C ATOM 657 CG TYR A 40 -1.761 2.003 5.117 1.00 74.11 C ATOM 658 CD1 TYR A 40 -0.939 2.252 6.209 1.00 31.35 C ATOM 659 CD2 TYR A 40 -1.195 1.378 3.997 1.00 43.24 C ATOM 660 CE1 TYR A 40 0.386 1.897 6.187 1.00 14.20 C ATOM 661 CE2 TYR A 40 0.132 1.027 3.974 1.00 1.22 C ATOM 662 CZ TYR A 40 0.916 1.283 5.072 1.00 12.55 C ATOM 663 OH TYR A 40 2.233 0.916 5.061 1.00 24.42 O ATOM 0 H TYR A 40 -5.447 3.158 4.768 1.00 63.04 H new ATOM 0 HA TYR A 40 -3.360 4.039 6.533 1.00 60.12 H new ATOM 0 HB2 TYR A 40 -3.724 1.696 5.886 1.00 33.33 H new ATOM 0 HB3 TYR A 40 -3.673 2.105 4.183 1.00 33.33 H new ATOM 0 HD1 TYR A 40 -1.348 2.731 7.086 1.00 31.35 H new ATOM 0 HD2 TYR A 40 -1.814 1.169 3.137 1.00 43.24 H new ATOM 0 HE1 TYR A 40 1.014 2.098 7.043 1.00 14.20 H new ATOM 0 HE2 TYR A 40 0.555 0.554 3.100 1.00 1.22 H new ATOM 0 HH TYR A 40 2.748 1.529 5.626 1.00 24.42 H new ATOM 673 N LEU A 41 -2.928 4.703 3.313 1.00 20.31 N ATOM 674 CA LEU A 41 -2.206 5.548 2.345 1.00 4.40 C ATOM 675 C LEU A 41 -2.537 7.033 2.558 1.00 71.33 C ATOM 676 O LEU A 41 -1.639 7.868 2.506 1.00 75.45 O ATOM 677 CB LEU A 41 -2.523 5.108 0.882 1.00 13.55 C ATOM 678 CG LEU A 41 -2.055 3.669 0.483 1.00 22.02 C ATOM 679 CD1 LEU A 41 -2.472 3.326 -0.964 1.00 5.41 C ATOM 680 CD2 LEU A 41 -0.532 3.504 0.677 1.00 41.30 C ATOM 0 H LEU A 41 -3.542 4.017 2.874 1.00 20.31 H new ATOM 0 HA LEU A 41 -1.137 5.417 2.512 1.00 4.40 H new ATOM 0 HB2 LEU A 41 -3.600 5.174 0.729 1.00 13.55 H new ATOM 0 HB3 LEU A 41 -2.060 5.821 0.200 1.00 13.55 H new ATOM 0 HG LEU A 41 -2.553 2.963 1.148 1.00 22.02 H new ATOM 0 HD11 LEU A 41 -2.133 2.320 -1.212 1.00 5.41 H new ATOM 0 HD12 LEU A 41 -3.557 3.375 -1.051 1.00 5.41 H new ATOM 0 HD13 LEU A 41 -2.021 4.041 -1.652 1.00 5.41 H new ATOM 0 HD21 LEU A 41 -0.236 2.494 0.392 1.00 41.30 H new ATOM 0 HD22 LEU A 41 -0.005 4.226 0.053 1.00 41.30 H new ATOM 0 HD23 LEU A 41 -0.278 3.675 1.723 1.00 41.30 H new ATOM 692 N GLN A 42 -3.829 7.341 2.836 1.00 72.44 N ATOM 693 CA GLN A 42 -4.283 8.724 3.094 1.00 43.42 C ATOM 694 C GLN A 42 -3.618 9.313 4.350 1.00 43.22 C ATOM 695 O GLN A 42 -3.243 10.488 4.347 1.00 21.34 O ATOM 696 CB GLN A 42 -5.815 8.774 3.240 1.00 41.40 C ATOM 697 CG GLN A 42 -6.423 10.176 3.427 1.00 22.44 C ATOM 698 CD GLN A 42 -7.948 10.182 3.554 1.00 5.53 C ATOM 699 OE1 GLN A 42 -8.634 9.268 2.876 1.00 64.01 O flip ATOM 700 NE2 GLN A 42 -8.515 11.032 4.243 1.00 41.35 N flip ATOM 0 H GLN A 42 -4.573 6.646 2.886 1.00 72.44 H new ATOM 0 HA GLN A 42 -3.986 9.329 2.237 1.00 43.42 H new ATOM 0 HB2 GLN A 42 -6.261 8.320 2.355 1.00 41.40 H new ATOM 0 HB3 GLN A 42 -6.101 8.158 4.093 1.00 41.40 H new ATOM 0 HG2 GLN A 42 -5.993 10.631 4.319 1.00 22.44 H new ATOM 0 HG3 GLN A 42 -6.137 10.801 2.581 1.00 22.44 H new ATOM 0 HE21 GLN A 42 -7.966 11.723 4.754 1.00 41.35 H new ATOM 0 HE22 GLN A 42 -9.533 11.044 4.302 1.00 41.35 H new ATOM 709 N SER A 43 -3.488 8.492 5.418 1.00 21.32 N ATOM 710 CA SER A 43 -2.818 8.906 6.668 1.00 53.32 C ATOM 711 C SER A 43 -1.341 9.287 6.412 1.00 12.02 C ATOM 712 O SER A 43 -0.844 10.285 6.961 1.00 42.34 O ATOM 713 CB SER A 43 -2.924 7.801 7.737 1.00 11.42 C ATOM 714 OG SER A 43 -4.274 7.563 8.102 1.00 10.25 O ATOM 0 H SER A 43 -3.841 7.535 5.436 1.00 21.32 H new ATOM 0 HA SER A 43 -3.329 9.793 7.043 1.00 53.32 H new ATOM 0 HB2 SER A 43 -2.480 6.881 7.357 1.00 11.42 H new ATOM 0 HB3 SER A 43 -2.352 8.090 8.619 1.00 11.42 H new ATOM 0 HG SER A 43 -4.749 7.152 7.349 1.00 10.25 H new ATOM 720 N ILE A 44 -0.657 8.491 5.557 1.00 72.43 N ATOM 721 CA ILE A 44 0.737 8.772 5.138 1.00 1.43 C ATOM 722 C ILE A 44 0.796 10.100 4.344 1.00 43.24 C ATOM 723 O ILE A 44 1.669 10.961 4.579 1.00 63.42 O ATOM 724 CB ILE A 44 1.330 7.607 4.255 1.00 61.31 C ATOM 725 CG1 ILE A 44 1.208 6.225 4.976 1.00 21.53 C ATOM 726 CG2 ILE A 44 2.801 7.906 3.878 1.00 75.41 C ATOM 727 CD1 ILE A 44 1.654 5.019 4.152 1.00 45.42 C ATOM 0 H ILE A 44 -1.050 7.646 5.142 1.00 72.43 H new ATOM 0 HA ILE A 44 1.340 8.853 6.043 1.00 1.43 H new ATOM 0 HB ILE A 44 0.744 7.551 3.338 1.00 61.31 H new ATOM 0 HG12 ILE A 44 1.799 6.258 5.891 1.00 21.53 H new ATOM 0 HG13 ILE A 44 0.169 6.078 5.272 1.00 21.53 H new ATOM 0 HG21 ILE A 44 3.193 7.092 3.269 1.00 75.41 H new ATOM 0 HG22 ILE A 44 2.850 8.837 3.314 1.00 75.41 H new ATOM 0 HG23 ILE A 44 3.397 8.000 4.786 1.00 75.41 H new ATOM 0 HD11 ILE A 44 1.530 4.110 4.741 1.00 45.42 H new ATOM 0 HD12 ILE A 44 1.048 4.951 3.249 1.00 45.42 H new ATOM 0 HD13 ILE A 44 2.703 5.134 3.878 1.00 45.42 H new ATOM 739 N GLU A 45 -0.176 10.252 3.425 1.00 34.42 N ATOM 740 CA GLU A 45 -0.312 11.439 2.569 1.00 5.21 C ATOM 741 C GLU A 45 -0.449 12.724 3.410 1.00 1.21 C ATOM 742 O GLU A 45 0.270 13.685 3.171 1.00 11.13 O ATOM 743 CB GLU A 45 -1.529 11.282 1.606 1.00 73.43 C ATOM 744 CG GLU A 45 -1.336 10.256 0.467 1.00 31.30 C ATOM 745 CD GLU A 45 -2.620 10.027 -0.356 1.00 75.03 C ATOM 746 OE1 GLU A 45 -3.019 10.933 -1.123 1.00 41.20 O ATOM 747 OE2 GLU A 45 -3.251 8.953 -0.230 1.00 41.30 O ATOM 0 H GLU A 45 -0.893 9.547 3.257 1.00 34.42 H new ATOM 0 HA GLU A 45 0.596 11.527 1.972 1.00 5.21 H new ATOM 0 HB2 GLU A 45 -2.401 10.991 2.192 1.00 73.43 H new ATOM 0 HB3 GLU A 45 -1.751 12.254 1.165 1.00 73.43 H new ATOM 0 HG2 GLU A 45 -0.542 10.601 -0.196 1.00 31.30 H new ATOM 0 HG3 GLU A 45 -1.008 9.307 0.891 1.00 31.30 H new ATOM 754 N THR A 46 -1.333 12.698 4.430 1.00 23.31 N ATOM 755 CA THR A 46 -1.694 13.907 5.204 1.00 72.55 C ATOM 756 C THR A 46 -0.605 14.299 6.231 1.00 60.45 C ATOM 757 O THR A 46 -0.452 15.493 6.523 1.00 42.14 O ATOM 758 CB THR A 46 -3.096 13.774 5.899 1.00 34.12 C ATOM 759 OG1 THR A 46 -3.410 14.970 6.632 1.00 14.21 O ATOM 760 CG2 THR A 46 -3.187 12.570 6.843 1.00 70.11 C ATOM 0 H THR A 46 -1.811 11.851 4.738 1.00 23.31 H new ATOM 0 HA THR A 46 -1.763 14.716 4.476 1.00 72.55 H new ATOM 0 HB THR A 46 -3.818 13.620 5.097 1.00 34.12 H new ATOM 0 HG1 THR A 46 -4.287 14.872 7.058 1.00 14.21 H new ATOM 0 HG21 THR A 46 -4.180 12.534 7.292 1.00 70.11 H new ATOM 0 HG22 THR A 46 -3.009 11.653 6.281 1.00 70.11 H new ATOM 0 HG23 THR A 46 -2.437 12.666 7.628 1.00 70.11 H new ATOM 768 N VAL A 47 0.159 13.316 6.780 1.00 52.53 N ATOM 769 CA VAL A 47 1.321 13.646 7.647 1.00 54.15 C ATOM 770 C VAL A 47 2.443 14.308 6.810 1.00 51.30 C ATOM 771 O VAL A 47 3.178 15.162 7.322 1.00 30.25 O ATOM 772 CB VAL A 47 1.893 12.417 8.466 1.00 62.33 C ATOM 773 CG1 VAL A 47 0.834 11.847 9.430 1.00 21.04 C ATOM 774 CG2 VAL A 47 2.453 11.314 7.552 1.00 12.14 C ATOM 0 H VAL A 47 -0.002 12.318 6.643 1.00 52.53 H new ATOM 0 HA VAL A 47 0.947 14.347 8.393 1.00 54.15 H new ATOM 0 HB VAL A 47 2.726 12.796 9.058 1.00 62.33 H new ATOM 0 HG11 VAL A 47 1.256 11.005 9.978 1.00 21.04 H new ATOM 0 HG12 VAL A 47 0.528 12.621 10.134 1.00 21.04 H new ATOM 0 HG13 VAL A 47 -0.033 11.511 8.861 1.00 21.04 H new ATOM 0 HG21 VAL A 47 2.833 10.494 8.162 1.00 12.14 H new ATOM 0 HG22 VAL A 47 1.661 10.945 6.900 1.00 12.14 H new ATOM 0 HG23 VAL A 47 3.262 11.720 6.945 1.00 12.14 H new ATOM 784 N MET A 48 2.554 13.916 5.516 1.00 63.31 N ATOM 785 CA MET A 48 3.527 14.522 4.574 1.00 3.02 C ATOM 786 C MET A 48 3.011 15.838 3.952 1.00 2.22 C ATOM 787 O MET A 48 3.814 16.679 3.542 1.00 30.12 O ATOM 788 CB MET A 48 3.909 13.505 3.475 1.00 54.22 C ATOM 789 CG MET A 48 4.725 12.326 4.015 1.00 63.02 C ATOM 790 SD MET A 48 6.262 12.871 4.806 1.00 3.12 S ATOM 791 CE MET A 48 6.939 11.323 5.409 1.00 74.21 C ATOM 0 H MET A 48 1.980 13.182 5.101 1.00 63.31 H new ATOM 0 HA MET A 48 4.417 14.779 5.148 1.00 3.02 H new ATOM 0 HB2 MET A 48 3.001 13.127 3.004 1.00 54.22 H new ATOM 0 HB3 MET A 48 4.482 14.013 2.700 1.00 54.22 H new ATOM 0 HG2 MET A 48 4.125 11.769 4.734 1.00 63.02 H new ATOM 0 HG3 MET A 48 4.960 11.643 3.199 1.00 63.02 H new ATOM 0 HE1 MET A 48 7.341 11.468 6.412 1.00 74.21 H new ATOM 0 HE2 MET A 48 6.152 10.569 5.439 1.00 74.21 H new ATOM 0 HE3 MET A 48 7.735 10.990 4.743 1.00 74.21 H new ATOM 801 N GLU A 49 1.678 16.016 3.884 1.00 61.15 N ATOM 802 CA GLU A 49 1.053 17.305 3.472 1.00 11.54 C ATOM 803 C GLU A 49 1.222 18.353 4.586 1.00 22.14 C ATOM 804 O GLU A 49 1.314 19.551 4.319 1.00 51.11 O ATOM 805 CB GLU A 49 -0.446 17.104 3.100 1.00 52.30 C ATOM 806 CG GLU A 49 -0.660 16.354 1.768 1.00 31.24 C ATOM 807 CD GLU A 49 -2.129 16.019 1.476 1.00 13.15 C ATOM 808 OE1 GLU A 49 -2.877 16.913 1.016 1.00 15.01 O ATOM 809 OE2 GLU A 49 -2.548 14.860 1.703 1.00 45.31 O ATOM 0 H GLU A 49 1.003 15.285 4.109 1.00 61.15 H new ATOM 0 HA GLU A 49 1.561 17.671 2.580 1.00 11.54 H new ATOM 0 HB2 GLU A 49 -0.939 16.552 3.901 1.00 52.30 H new ATOM 0 HB3 GLU A 49 -0.930 18.079 3.040 1.00 52.30 H new ATOM 0 HG2 GLU A 49 -0.266 16.961 0.953 1.00 31.24 H new ATOM 0 HG3 GLU A 49 -0.083 15.430 1.785 1.00 31.24 H new ATOM 816 N LYS A 50 1.285 17.866 5.836 1.00 3.40 N ATOM 817 CA LYS A 50 1.692 18.662 7.010 1.00 51.40 C ATOM 818 C LYS A 50 3.228 18.601 7.198 1.00 22.10 C ATOM 819 O LYS A 50 3.725 18.902 8.282 1.00 30.25 O ATOM 820 CB LYS A 50 0.927 18.176 8.296 1.00 44.02 C ATOM 821 CG LYS A 50 -0.376 18.953 8.588 1.00 0.32 C ATOM 822 CD LYS A 50 -1.476 18.785 7.507 1.00 71.24 C ATOM 823 CE LYS A 50 -2.659 19.759 7.714 1.00 54.32 C ATOM 824 NZ LYS A 50 -3.280 19.650 9.063 1.00 20.11 N ATOM 0 H LYS A 50 1.053 16.899 6.064 1.00 3.40 H new ATOM 0 HA LYS A 50 1.422 19.705 6.842 1.00 51.40 H new ATOM 0 HB2 LYS A 50 0.689 17.118 8.186 1.00 44.02 H new ATOM 0 HB3 LYS A 50 1.591 18.266 9.156 1.00 44.02 H new ATOM 0 HG2 LYS A 50 -0.774 18.624 9.548 1.00 0.32 H new ATOM 0 HG3 LYS A 50 -0.139 20.012 8.687 1.00 0.32 H new ATOM 0 HD2 LYS A 50 -1.041 18.950 6.521 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -1.846 17.760 7.525 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.311 20.781 7.563 1.00 54.32 H new ATOM 0 HE3 LYS A 50 -3.417 19.566 6.955 1.00 54.32 H new ATOM 0 HZ1 LYS A 50 -4.316 19.658 8.970 1.00 20.11 H new ATOM 0 HZ2 LYS A 50 -2.979 18.762 9.513 1.00 20.11 H new ATOM 0 HZ3 LYS A 50 -2.979 20.454 9.650 1.00 20.11 H new ATOM 838 N GLN A 51 3.952 18.205 6.110 1.00 52.22 N ATOM 839 CA GLN A 51 5.435 18.267 5.942 1.00 42.25 C ATOM 840 C GLN A 51 6.271 17.693 7.114 1.00 65.22 C ATOM 841 O GLN A 51 7.492 17.890 7.129 1.00 14.40 O ATOM 842 CB GLN A 51 5.905 19.724 5.576 1.00 3.32 C ATOM 843 CG GLN A 51 5.700 20.791 6.671 1.00 40.34 C ATOM 844 CD GLN A 51 6.125 22.207 6.284 1.00 65.34 C ATOM 845 OE1 GLN A 51 6.093 22.589 5.111 1.00 12.04 O ATOM 846 NE2 GLN A 51 6.487 23.014 7.273 1.00 22.31 N ATOM 0 H GLN A 51 3.494 17.815 5.286 1.00 52.22 H new ATOM 0 HA GLN A 51 5.638 17.594 5.109 1.00 42.25 H new ATOM 0 HB2 GLN A 51 6.964 19.690 5.322 1.00 3.32 H new ATOM 0 HB3 GLN A 51 5.372 20.043 4.680 1.00 3.32 H new ATOM 0 HG2 GLN A 51 4.646 20.808 6.948 1.00 40.34 H new ATOM 0 HG3 GLN A 51 6.258 20.491 7.558 1.00 40.34 H new ATOM 0 HE21 GLN A 51 6.504 22.669 8.233 1.00 22.31 H new ATOM 0 HE22 GLN A 51 6.749 23.979 7.074 1.00 22.31 H new ATOM 855 N THR A 52 5.631 16.921 8.025 1.00 73.41 N ATOM 856 CA THR A 52 6.227 16.501 9.309 1.00 74.41 C ATOM 857 C THR A 52 6.665 17.755 10.129 1.00 22.41 C ATOM 858 O THR A 52 7.760 18.295 9.891 1.00 12.40 O ATOM 859 CB THR A 52 7.417 15.482 9.112 1.00 21.22 C ATOM 860 OG1 THR A 52 6.933 14.290 8.461 1.00 2.43 O ATOM 861 CG2 THR A 52 8.115 15.108 10.442 1.00 54.23 C ATOM 0 H THR A 52 4.683 16.572 7.886 1.00 73.41 H new ATOM 0 HA THR A 52 5.465 15.966 9.876 1.00 74.41 H new ATOM 0 HB THR A 52 8.163 15.976 8.490 1.00 21.22 H new ATOM 0 HG1 THR A 52 7.674 13.660 8.339 1.00 2.43 H new ATOM 0 HG21 THR A 52 8.924 14.405 10.243 1.00 54.23 H new ATOM 0 HG22 THR A 52 8.521 16.007 10.905 1.00 54.23 H new ATOM 0 HG23 THR A 52 7.392 14.648 11.116 1.00 54.23 H new ATOM 869 N PRO A 53 5.786 18.279 11.062 1.00 52.20 N ATOM 870 CA PRO A 53 6.100 19.489 11.879 1.00 11.15 C ATOM 871 C PRO A 53 7.424 19.323 12.670 1.00 71.04 C ATOM 872 O PRO A 53 7.677 18.250 13.196 1.00 34.13 O ATOM 873 CB PRO A 53 4.859 19.629 12.825 1.00 51.24 C ATOM 874 CG PRO A 53 4.164 18.293 12.776 1.00 11.00 C ATOM 875 CD PRO A 53 4.432 17.746 11.389 1.00 64.31 C ATOM 0 HA PRO A 53 6.260 20.379 11.270 1.00 11.15 H new ATOM 0 HB2 PRO A 53 5.166 19.875 13.842 1.00 51.24 H new ATOM 0 HB3 PRO A 53 4.198 20.428 12.490 1.00 51.24 H new ATOM 0 HG2 PRO A 53 4.550 17.622 13.543 1.00 11.00 H new ATOM 0 HG3 PRO A 53 3.094 18.401 12.955 1.00 11.00 H new ATOM 0 HD2 PRO A 53 4.416 16.656 11.377 1.00 64.31 H new ATOM 0 HD3 PRO A 53 3.683 18.084 10.672 1.00 64.31 H new ATOM 883 N PRO A 54 8.318 20.367 12.722 1.00 14.10 N ATOM 884 CA PRO A 54 9.612 20.283 13.459 1.00 24.34 C ATOM 885 C PRO A 54 9.448 20.338 14.996 1.00 53.34 C ATOM 886 O PRO A 54 10.414 20.099 15.735 1.00 63.44 O ATOM 887 CB PRO A 54 10.416 21.511 12.923 1.00 51.43 C ATOM 888 CG PRO A 54 9.631 22.018 11.742 1.00 23.44 C ATOM 889 CD PRO A 54 8.192 21.678 12.043 1.00 21.31 C ATOM 0 HA PRO A 54 10.111 19.329 13.289 1.00 24.34 H new ATOM 0 HB2 PRO A 54 10.515 22.280 13.689 1.00 51.43 H new ATOM 0 HB3 PRO A 54 11.425 21.222 12.629 1.00 51.43 H new ATOM 0 HG2 PRO A 54 9.763 23.092 11.615 1.00 23.44 H new ATOM 0 HG3 PRO A 54 9.962 21.544 10.818 1.00 23.44 H new ATOM 0 HD2 PRO A 54 7.722 22.425 12.683 1.00 21.31 H new ATOM 0 HD3 PRO A 54 7.591 21.611 11.136 1.00 21.31 H new ATOM 897 N GLY A 55 8.222 20.651 15.467 1.00 41.40 N ATOM 898 CA GLY A 55 7.917 20.717 16.899 1.00 20.10 C ATOM 899 C GLY A 55 7.610 19.338 17.486 1.00 62.54 C ATOM 900 O GLY A 55 6.508 19.103 18.007 1.00 35.32 O ATOM 0 H GLY A 55 7.426 20.862 14.865 1.00 41.40 H new ATOM 0 HA2 GLY A 55 8.762 21.156 17.429 1.00 20.10 H new ATOM 0 HA3 GLY A 55 7.064 21.376 17.057 1.00 20.10 H new ATOM 904 N ILE A 56 8.587 18.417 17.361 1.00 5.21 N ATOM 905 CA ILE A 56 8.483 17.017 17.811 1.00 22.43 C ATOM 906 C ILE A 56 9.632 16.728 18.789 1.00 72.22 C ATOM 907 O ILE A 56 10.807 16.781 18.397 1.00 64.12 O ATOM 908 CB ILE A 56 8.558 16.022 16.583 1.00 1.54 C ATOM 909 CG1 ILE A 56 7.451 16.334 15.526 1.00 64.43 C ATOM 910 CG2 ILE A 56 8.503 14.544 17.031 1.00 62.40 C ATOM 911 CD1 ILE A 56 6.028 16.348 16.047 1.00 13.40 C ATOM 0 H ILE A 56 9.489 18.632 16.935 1.00 5.21 H new ATOM 0 HA ILE A 56 7.522 16.870 18.304 1.00 22.43 H new ATOM 0 HB ILE A 56 9.526 16.178 16.107 1.00 1.54 H new ATOM 0 HG12 ILE A 56 7.664 17.305 15.080 1.00 64.43 H new ATOM 0 HG13 ILE A 56 7.519 15.595 14.728 1.00 64.43 H new ATOM 0 HG21 ILE A 56 8.557 13.896 16.156 1.00 62.40 H new ATOM 0 HG22 ILE A 56 9.344 14.333 17.692 1.00 62.40 H new ATOM 0 HG23 ILE A 56 7.569 14.359 17.562 1.00 62.40 H new ATOM 0 HD11 ILE A 56 5.343 16.575 15.230 1.00 13.40 H new ATOM 0 HD12 ILE A 56 5.784 15.371 16.465 1.00 13.40 H new ATOM 0 HD13 ILE A 56 5.932 17.108 16.822 1.00 13.40 H new ATOM 923 N THR A 57 9.291 16.442 20.061 1.00 64.13 N ATOM 924 CA THR A 57 10.281 16.104 21.103 1.00 51.51 C ATOM 925 C THR A 57 10.807 14.667 20.896 1.00 44.11 C ATOM 926 O THR A 57 10.284 13.938 20.051 1.00 75.35 O ATOM 927 CB THR A 57 9.660 16.263 22.537 1.00 73.33 C ATOM 928 OG1 THR A 57 10.680 16.128 23.540 1.00 12.02 O ATOM 929 CG2 THR A 57 8.542 15.237 22.812 1.00 74.34 C ATOM 0 H THR A 57 8.327 16.439 20.394 1.00 64.13 H new ATOM 0 HA THR A 57 11.118 16.797 21.019 1.00 51.51 H new ATOM 0 HB THR A 57 9.220 17.259 22.579 1.00 73.33 H new ATOM 0 HG1 THR A 57 10.656 16.904 24.138 1.00 12.02 H new ATOM 0 HG21 THR A 57 8.147 15.390 23.816 1.00 74.34 H new ATOM 0 HG22 THR A 57 7.742 15.367 22.083 1.00 74.34 H new ATOM 0 HG23 THR A 57 8.946 14.228 22.731 1.00 74.34 H new ATOM 937 N ARG A 58 11.806 14.259 21.702 1.00 63.14 N ATOM 938 CA ARG A 58 12.462 12.943 21.556 1.00 2.03 C ATOM 939 C ARG A 58 11.494 11.793 21.914 1.00 52.23 C ATOM 940 O ARG A 58 11.620 10.693 21.378 1.00 21.33 O ATOM 941 CB ARG A 58 13.772 12.840 22.411 1.00 75.40 C ATOM 942 CG ARG A 58 13.596 12.658 23.944 1.00 14.43 C ATOM 943 CD ARG A 58 12.985 13.879 24.651 1.00 40.23 C ATOM 944 NE ARG A 58 12.756 13.639 26.085 1.00 74.44 N ATOM 945 CZ ARG A 58 11.840 14.273 26.835 1.00 72.23 C ATOM 946 NH1 ARG A 58 11.040 15.200 26.313 1.00 71.22 N ATOM 947 NH2 ARG A 58 11.726 13.979 28.118 1.00 21.24 N ATOM 0 H ARG A 58 12.179 14.824 22.465 1.00 63.14 H new ATOM 0 HA ARG A 58 12.743 12.846 20.507 1.00 2.03 H new ATOM 0 HB2 ARG A 58 14.358 12.002 22.035 1.00 75.40 H new ATOM 0 HB3 ARG A 58 14.360 13.742 22.241 1.00 75.40 H new ATOM 0 HG2 ARG A 58 12.962 11.790 24.126 1.00 14.43 H new ATOM 0 HG3 ARG A 58 14.568 12.442 24.388 1.00 14.43 H new ATOM 0 HD2 ARG A 58 13.648 14.735 24.530 1.00 40.23 H new ATOM 0 HD3 ARG A 58 12.040 14.137 24.173 1.00 40.23 H new ATOM 0 HE ARG A 58 13.337 12.938 26.544 1.00 74.44 H new ATOM 0 HH11 ARG A 58 11.116 15.441 25.325 1.00 71.22 H new ATOM 0 HH12 ARG A 58 10.351 15.669 26.901 1.00 71.22 H new ATOM 0 HH21 ARG A 58 12.332 13.273 28.535 1.00 21.24 H new ATOM 0 HH22 ARG A 58 11.032 14.458 28.691 1.00 21.24 H new ATOM 961 N SER A 59 10.528 12.070 22.810 1.00 21.24 N ATOM 962 CA SER A 59 9.534 11.082 23.268 1.00 10.34 C ATOM 963 C SER A 59 8.536 10.751 22.134 1.00 21.42 C ATOM 964 O SER A 59 8.284 9.579 21.820 1.00 32.10 O ATOM 965 CB SER A 59 8.806 11.652 24.508 1.00 5.22 C ATOM 966 OG SER A 59 9.738 12.090 25.485 1.00 71.42 O ATOM 0 H SER A 59 10.415 12.989 23.238 1.00 21.24 H new ATOM 0 HA SER A 59 10.032 10.152 23.541 1.00 10.34 H new ATOM 0 HB2 SER A 59 8.168 12.484 24.210 1.00 5.22 H new ATOM 0 HB3 SER A 59 8.156 10.889 24.936 1.00 5.22 H new ATOM 0 HG SER A 59 9.256 12.448 26.259 1.00 71.42 H new ATOM 972 N ILE A 60 8.022 11.819 21.496 1.00 22.15 N ATOM 973 CA ILE A 60 7.089 11.721 20.363 1.00 32.54 C ATOM 974 C ILE A 60 7.810 11.121 19.143 1.00 71.51 C ATOM 975 O ILE A 60 7.245 10.291 18.427 1.00 44.33 O ATOM 976 CB ILE A 60 6.470 13.131 20.028 1.00 13.31 C ATOM 977 CG1 ILE A 60 5.651 13.657 21.251 1.00 23.52 C ATOM 978 CG2 ILE A 60 5.596 13.087 18.749 1.00 1.23 C ATOM 979 CD1 ILE A 60 5.128 15.075 21.120 1.00 32.03 C ATOM 0 H ILE A 60 8.245 12.780 21.756 1.00 22.15 H new ATOM 0 HA ILE A 60 6.267 11.059 20.635 1.00 32.54 H new ATOM 0 HB ILE A 60 7.289 13.822 19.828 1.00 13.31 H new ATOM 0 HG12 ILE A 60 4.805 12.989 21.415 1.00 23.52 H new ATOM 0 HG13 ILE A 60 6.279 13.600 22.140 1.00 23.52 H new ATOM 0 HG21 ILE A 60 5.188 14.079 18.553 1.00 1.23 H new ATOM 0 HG22 ILE A 60 6.206 12.771 17.902 1.00 1.23 H new ATOM 0 HG23 ILE A 60 4.779 12.380 18.891 1.00 1.23 H new ATOM 0 HD11 ILE A 60 4.575 15.343 22.020 1.00 32.03 H new ATOM 0 HD12 ILE A 60 5.965 15.761 20.991 1.00 32.03 H new ATOM 0 HD13 ILE A 60 4.468 15.141 20.255 1.00 32.03 H new ATOM 991 N GLN A 61 9.080 11.533 18.962 1.00 62.04 N ATOM 992 CA GLN A 61 9.972 11.010 17.918 1.00 51.12 C ATOM 993 C GLN A 61 10.184 9.499 18.079 1.00 23.31 C ATOM 994 O GLN A 61 10.196 8.781 17.090 1.00 4.20 O ATOM 995 CB GLN A 61 11.332 11.743 17.964 1.00 62.12 C ATOM 996 CG GLN A 61 12.403 11.191 17.007 1.00 30.44 C ATOM 997 CD GLN A 61 13.744 11.873 17.194 1.00 43.14 C ATOM 998 OE1 GLN A 61 14.573 11.435 17.996 1.00 75.31 O ATOM 999 NE2 GLN A 61 13.958 12.966 16.488 1.00 41.11 N ATOM 0 H GLN A 61 9.517 12.247 19.545 1.00 62.04 H new ATOM 0 HA GLN A 61 9.502 11.187 16.951 1.00 51.12 H new ATOM 0 HB2 GLN A 61 11.168 12.796 17.733 1.00 62.12 H new ATOM 0 HB3 GLN A 61 11.718 11.697 18.982 1.00 62.12 H new ATOM 0 HG2 GLN A 61 12.516 10.119 17.171 1.00 30.44 H new ATOM 0 HG3 GLN A 61 12.071 11.323 15.977 1.00 30.44 H new ATOM 0 HE21 GLN A 61 13.249 13.298 15.834 1.00 41.11 H new ATOM 0 HE22 GLN A 61 14.833 13.480 16.596 1.00 41.11 H new ATOM 1008 N ASP A 62 10.344 9.039 19.339 1.00 14.31 N ATOM 1009 CA ASP A 62 10.550 7.611 19.654 1.00 74.44 C ATOM 1010 C ASP A 62 9.338 6.786 19.193 1.00 22.42 C ATOM 1011 O ASP A 62 9.499 5.782 18.483 1.00 51.21 O ATOM 1012 CB ASP A 62 10.788 7.409 21.177 1.00 55.11 C ATOM 1013 CG ASP A 62 10.975 5.928 21.580 1.00 34.21 C ATOM 1014 OD1 ASP A 62 9.978 5.256 21.939 1.00 73.03 O ATOM 1015 OD2 ASP A 62 12.121 5.428 21.540 1.00 25.43 O ATOM 0 H ASP A 62 10.334 9.644 20.160 1.00 14.31 H new ATOM 0 HA ASP A 62 11.436 7.268 19.121 1.00 74.44 H new ATOM 0 HB2 ASP A 62 11.671 7.973 21.477 1.00 55.11 H new ATOM 0 HB3 ASP A 62 9.943 7.823 21.727 1.00 55.11 H new ATOM 1020 N MET A 63 8.131 7.251 19.593 1.00 61.12 N ATOM 1021 CA MET A 63 6.854 6.597 19.237 1.00 30.20 C ATOM 1022 C MET A 63 6.735 6.446 17.716 1.00 43.42 C ATOM 1023 O MET A 63 6.569 5.333 17.204 1.00 14.13 O ATOM 1024 CB MET A 63 5.634 7.402 19.773 1.00 64.32 C ATOM 1025 CG MET A 63 5.615 7.624 21.287 1.00 75.15 C ATOM 1026 SD MET A 63 4.065 8.354 21.865 1.00 50.45 S ATOM 1027 CE MET A 63 3.930 9.827 20.842 1.00 70.34 C ATOM 0 H MET A 63 8.017 8.086 20.168 1.00 61.12 H new ATOM 0 HA MET A 63 6.851 5.612 19.703 1.00 30.20 H new ATOM 0 HB2 MET A 63 5.615 8.373 19.279 1.00 64.32 H new ATOM 0 HB3 MET A 63 4.721 6.881 19.487 1.00 64.32 H new ATOM 0 HG2 MET A 63 5.774 6.671 21.792 1.00 75.15 H new ATOM 0 HG3 MET A 63 6.444 8.274 21.565 1.00 75.15 H new ATOM 0 HE1 MET A 63 2.919 10.229 20.914 1.00 70.34 H new ATOM 0 HE2 MET A 63 4.643 10.576 21.186 1.00 70.34 H new ATOM 0 HE3 MET A 63 4.145 9.571 19.805 1.00 70.34 H new ATOM 1037 N VAL A 64 6.884 7.579 17.004 1.00 24.42 N ATOM 1038 CA VAL A 64 6.626 7.642 15.560 1.00 3.03 C ATOM 1039 C VAL A 64 7.740 6.993 14.736 1.00 72.22 C ATOM 1040 O VAL A 64 7.457 6.494 13.668 1.00 32.40 O ATOM 1041 CB VAL A 64 6.339 9.095 15.061 1.00 52.20 C ATOM 1042 CG1 VAL A 64 5.138 9.694 15.831 1.00 54.52 C ATOM 1043 CG2 VAL A 64 7.590 9.993 15.149 1.00 71.02 C ATOM 0 H VAL A 64 7.183 8.465 17.411 1.00 24.42 H new ATOM 0 HA VAL A 64 5.719 7.059 15.402 1.00 3.03 H new ATOM 0 HB VAL A 64 6.075 9.047 14.005 1.00 52.20 H new ATOM 0 HG11 VAL A 64 4.946 10.707 15.476 1.00 54.52 H new ATOM 0 HG12 VAL A 64 4.255 9.078 15.664 1.00 54.52 H new ATOM 0 HG13 VAL A 64 5.366 9.720 16.897 1.00 54.52 H new ATOM 0 HG21 VAL A 64 7.345 10.994 14.792 1.00 71.02 H new ATOM 0 HG22 VAL A 64 7.926 10.049 16.185 1.00 71.02 H new ATOM 0 HG23 VAL A 64 8.384 9.572 14.532 1.00 71.02 H new ATOM 1053 N ALA A 65 8.986 6.979 15.245 1.00 24.25 N ATOM 1054 CA ALA A 65 10.105 6.282 14.577 1.00 22.44 C ATOM 1055 C ALA A 65 9.847 4.769 14.601 1.00 70.13 C ATOM 1056 O ALA A 65 10.163 4.061 13.641 1.00 10.14 O ATOM 1057 CB ALA A 65 11.455 6.619 15.233 1.00 10.23 C ATOM 0 H ALA A 65 9.245 7.442 16.116 1.00 24.25 H new ATOM 0 HA ALA A 65 10.160 6.623 13.543 1.00 22.44 H new ATOM 0 HB1 ALA A 65 12.254 6.088 14.715 1.00 10.23 H new ATOM 0 HB2 ALA A 65 11.632 7.693 15.170 1.00 10.23 H new ATOM 0 HB3 ALA A 65 11.437 6.315 16.280 1.00 10.23 H new ATOM 1063 N GLY A 66 9.252 4.299 15.714 1.00 25.41 N ATOM 1064 CA GLY A 66 8.768 2.931 15.818 1.00 34.20 C ATOM 1065 C GLY A 66 7.606 2.658 14.864 1.00 65.12 C ATOM 1066 O GLY A 66 7.511 1.565 14.306 1.00 24.23 O ATOM 0 H GLY A 66 9.100 4.860 16.552 1.00 25.41 H new ATOM 0 HA2 GLY A 66 9.584 2.241 15.602 1.00 34.20 H new ATOM 0 HA3 GLY A 66 8.449 2.737 16.842 1.00 34.20 H new ATOM 1070 N TYR A 67 6.722 3.664 14.678 1.00 12.21 N ATOM 1071 CA TYR A 67 5.565 3.566 13.760 1.00 23.22 C ATOM 1072 C TYR A 67 6.019 3.518 12.284 1.00 32.12 C ATOM 1073 O TYR A 67 5.416 2.803 11.474 1.00 13.34 O ATOM 1074 CB TYR A 67 4.568 4.740 13.983 1.00 24.33 C ATOM 1075 CG TYR A 67 3.877 4.763 15.371 1.00 4.12 C ATOM 1076 CD1 TYR A 67 3.616 5.966 16.039 1.00 1.20 C ATOM 1077 CD2 TYR A 67 3.498 3.579 16.018 1.00 24.42 C ATOM 1078 CE1 TYR A 67 3.006 5.991 17.278 1.00 55.30 C ATOM 1079 CE2 TYR A 67 2.883 3.603 17.258 1.00 41.44 C ATOM 1080 CZ TYR A 67 2.644 4.808 17.886 1.00 11.33 C ATOM 1081 OH TYR A 67 2.036 4.830 19.128 1.00 35.23 O ATOM 0 H TYR A 67 6.790 4.562 15.157 1.00 12.21 H new ATOM 0 HA TYR A 67 5.051 2.632 13.987 1.00 23.22 H new ATOM 0 HB2 TYR A 67 5.102 5.680 13.845 1.00 24.33 H new ATOM 0 HB3 TYR A 67 3.799 4.694 13.212 1.00 24.33 H new ATOM 0 HD1 TYR A 67 3.899 6.898 15.573 1.00 1.20 H new ATOM 0 HD2 TYR A 67 3.689 2.630 15.540 1.00 24.42 H new ATOM 0 HE1 TYR A 67 2.813 6.934 17.769 1.00 55.30 H new ATOM 0 HE2 TYR A 67 2.590 2.679 17.734 1.00 41.44 H new ATOM 0 HH TYR A 67 1.845 3.913 19.415 1.00 35.23 H new ATOM 1091 N ILE A 68 7.094 4.277 11.954 1.00 73.33 N ATOM 1092 CA ILE A 68 7.667 4.304 10.594 1.00 11.33 C ATOM 1093 C ILE A 68 8.392 2.969 10.331 1.00 3.03 C ATOM 1094 O ILE A 68 8.310 2.417 9.244 1.00 40.45 O ATOM 1095 CB ILE A 68 8.665 5.506 10.337 1.00 11.21 C ATOM 1096 CG1 ILE A 68 8.033 6.878 10.714 1.00 33.42 C ATOM 1097 CG2 ILE A 68 9.110 5.531 8.851 1.00 52.43 C ATOM 1098 CD1 ILE A 68 8.994 8.063 10.695 1.00 33.44 C ATOM 0 H ILE A 68 7.580 4.879 12.618 1.00 73.33 H new ATOM 0 HA ILE A 68 6.834 4.450 9.906 1.00 11.33 H new ATOM 0 HB ILE A 68 9.532 5.346 10.977 1.00 11.21 H new ATOM 0 HG12 ILE A 68 7.214 7.084 10.025 1.00 33.42 H new ATOM 0 HG13 ILE A 68 7.599 6.798 11.711 1.00 33.42 H new ATOM 0 HG21 ILE A 68 9.796 6.363 8.690 1.00 52.43 H new ATOM 0 HG22 ILE A 68 9.611 4.595 8.606 1.00 52.43 H new ATOM 0 HG23 ILE A 68 8.236 5.653 8.211 1.00 52.43 H new ATOM 0 HD11 ILE A 68 8.458 8.971 10.971 1.00 33.44 H new ATOM 0 HD12 ILE A 68 9.802 7.888 11.406 1.00 33.44 H new ATOM 0 HD13 ILE A 68 9.410 8.178 9.694 1.00 33.44 H new ATOM 1110 N LYS A 69 9.076 2.455 11.365 1.00 71.33 N ATOM 1111 CA LYS A 69 9.736 1.137 11.325 1.00 60.41 C ATOM 1112 C LYS A 69 8.719 0.028 10.949 1.00 72.42 C ATOM 1113 O LYS A 69 8.972 -0.780 10.039 1.00 74.23 O ATOM 1114 CB LYS A 69 10.371 0.841 12.707 1.00 64.52 C ATOM 1115 CG LYS A 69 11.061 -0.538 12.823 1.00 43.44 C ATOM 1116 CD LYS A 69 11.400 -0.923 14.282 1.00 10.32 C ATOM 1117 CE LYS A 69 10.146 -1.038 15.171 1.00 61.33 C ATOM 1118 NZ LYS A 69 10.472 -1.543 16.535 1.00 23.31 N ATOM 0 H LYS A 69 9.188 2.941 12.255 1.00 71.33 H new ATOM 0 HA LYS A 69 10.516 1.151 10.564 1.00 60.41 H new ATOM 0 HB2 LYS A 69 11.103 1.617 12.928 1.00 64.52 H new ATOM 0 HB3 LYS A 69 9.595 0.908 13.469 1.00 64.52 H new ATOM 0 HG2 LYS A 69 10.411 -1.301 12.393 1.00 43.44 H new ATOM 0 HG3 LYS A 69 11.977 -0.530 12.233 1.00 43.44 H new ATOM 0 HD2 LYS A 69 11.934 -1.873 14.288 1.00 10.32 H new ATOM 0 HD3 LYS A 69 12.073 -0.176 14.704 1.00 10.32 H new ATOM 0 HE2 LYS A 69 9.668 -0.062 15.251 1.00 61.33 H new ATOM 0 HE3 LYS A 69 9.427 -1.708 14.699 1.00 61.33 H new ATOM 0 HZ1 LYS A 69 9.601 -1.605 17.100 1.00 23.31 H new ATOM 0 HZ2 LYS A 69 10.905 -2.486 16.462 1.00 23.31 H new ATOM 0 HZ3 LYS A 69 11.138 -0.891 16.997 1.00 23.31 H new ATOM 1132 N GLN A 70 7.559 0.045 11.647 1.00 44.54 N ATOM 1133 CA GLN A 70 6.469 -0.922 11.432 1.00 31.34 C ATOM 1134 C GLN A 70 5.924 -0.828 10.000 1.00 41.21 C ATOM 1135 O GLN A 70 5.832 -1.843 9.302 1.00 54.51 O ATOM 1136 CB GLN A 70 5.308 -0.703 12.440 1.00 33.23 C ATOM 1137 CG GLN A 70 5.641 -1.019 13.911 1.00 41.04 C ATOM 1138 CD GLN A 70 4.439 -0.886 14.863 1.00 52.24 C ATOM 1139 OE1 GLN A 70 3.235 -1.204 14.386 1.00 10.03 O flip ATOM 1140 NE2 GLN A 70 4.593 -0.526 16.035 1.00 4.42 N flip ATOM 0 H GLN A 70 7.358 0.732 12.374 1.00 44.54 H new ATOM 0 HA GLN A 70 6.888 -1.915 11.591 1.00 31.34 H new ATOM 0 HB2 GLN A 70 4.983 0.335 12.374 1.00 33.23 H new ATOM 0 HB3 GLN A 70 4.464 -1.321 12.135 1.00 33.23 H new ATOM 0 HG2 GLN A 70 6.033 -2.034 13.975 1.00 41.04 H new ATOM 0 HG3 GLN A 70 6.434 -0.350 14.246 1.00 41.04 H new ATOM 0 HE21 GLN A 70 5.524 -0.288 16.377 1.00 4.42 H new ATOM 0 HE22 GLN A 70 3.789 -0.467 16.660 1.00 4.42 H new ATOM 1149 N THR A 71 5.589 0.409 9.569 1.00 30.52 N ATOM 1150 CA THR A 71 4.951 0.641 8.268 1.00 32.05 C ATOM 1151 C THR A 71 5.886 0.220 7.116 1.00 12.34 C ATOM 1152 O THR A 71 5.432 -0.411 6.184 1.00 52.22 O ATOM 1153 CB THR A 71 4.459 2.125 8.091 1.00 14.14 C ATOM 1154 OG1 THR A 71 3.581 2.225 6.972 1.00 71.13 O ATOM 1155 CG2 THR A 71 5.581 3.151 7.889 1.00 51.23 C ATOM 0 H THR A 71 5.753 1.258 10.109 1.00 30.52 H new ATOM 0 HA THR A 71 4.060 0.014 8.235 1.00 32.05 H new ATOM 0 HB THR A 71 3.959 2.363 9.030 1.00 14.14 H new ATOM 0 HG1 THR A 71 3.534 3.158 6.676 1.00 71.13 H new ATOM 0 HG21 THR A 71 5.149 4.145 7.776 1.00 51.23 H new ATOM 0 HG22 THR A 71 6.244 3.140 8.754 1.00 51.23 H new ATOM 0 HG23 THR A 71 6.148 2.898 6.993 1.00 51.23 H new ATOM 1163 N LEU A 72 7.201 0.516 7.245 1.00 22.31 N ATOM 1164 CA LEU A 72 8.220 0.162 6.231 1.00 44.32 C ATOM 1165 C LEU A 72 8.340 -1.360 6.076 1.00 21.52 C ATOM 1166 O LEU A 72 8.444 -1.859 4.956 1.00 70.11 O ATOM 1167 CB LEU A 72 9.601 0.774 6.606 1.00 3.34 C ATOM 1168 CG LEU A 72 9.707 2.321 6.483 1.00 52.43 C ATOM 1169 CD1 LEU A 72 11.038 2.841 7.063 1.00 41.41 C ATOM 1170 CD2 LEU A 72 9.517 2.764 5.020 1.00 2.40 C ATOM 0 H LEU A 72 7.584 1.006 8.054 1.00 22.31 H new ATOM 0 HA LEU A 72 7.899 0.578 5.276 1.00 44.32 H new ATOM 0 HB2 LEU A 72 9.836 0.492 7.632 1.00 3.34 H new ATOM 0 HB3 LEU A 72 10.363 0.324 5.969 1.00 3.34 H new ATOM 0 HG LEU A 72 8.905 2.763 7.074 1.00 52.43 H new ATOM 0 HD11 LEU A 72 11.080 3.925 6.961 1.00 41.41 H new ATOM 0 HD12 LEU A 72 11.105 2.572 8.117 1.00 41.41 H new ATOM 0 HD13 LEU A 72 11.871 2.393 6.521 1.00 41.41 H new ATOM 0 HD21 LEU A 72 9.595 3.849 4.955 1.00 2.40 H new ATOM 0 HD22 LEU A 72 10.287 2.307 4.399 1.00 2.40 H new ATOM 0 HD23 LEU A 72 8.534 2.449 4.669 1.00 2.40 H new ATOM 1182 N ASP A 73 8.320 -2.077 7.217 1.00 54.12 N ATOM 1183 CA ASP A 73 8.381 -3.552 7.251 1.00 35.45 C ATOM 1184 C ASP A 73 7.164 -4.158 6.522 1.00 41.31 C ATOM 1185 O ASP A 73 7.322 -4.901 5.546 1.00 31.23 O ATOM 1186 CB ASP A 73 8.435 -4.054 8.728 1.00 61.33 C ATOM 1187 CG ASP A 73 8.336 -5.597 8.853 1.00 11.14 C ATOM 1188 OD1 ASP A 73 7.230 -6.123 9.123 1.00 20.14 O ATOM 1189 OD2 ASP A 73 9.362 -6.284 8.670 1.00 73.12 O ATOM 0 H ASP A 73 8.261 -1.650 8.141 1.00 54.12 H new ATOM 0 HA ASP A 73 9.287 -3.876 6.738 1.00 35.45 H new ATOM 0 HB2 ASP A 73 9.366 -3.718 9.185 1.00 61.33 H new ATOM 0 HB3 ASP A 73 7.620 -3.597 9.290 1.00 61.33 H new ATOM 1194 N ASN A 74 5.962 -3.778 6.988 1.00 55.13 N ATOM 1195 CA ASN A 74 4.690 -4.354 6.515 1.00 24.24 C ATOM 1196 C ASN A 74 4.419 -4.007 5.039 1.00 21.32 C ATOM 1197 O ASN A 74 3.934 -4.845 4.282 1.00 12.02 O ATOM 1198 CB ASN A 74 3.514 -3.856 7.402 1.00 2.03 C ATOM 1199 CG ASN A 74 3.679 -4.122 8.910 1.00 2.15 C ATOM 1200 OD1 ASN A 74 4.418 -5.155 9.293 1.00 63.11 O flip ATOM 1201 ND2 ASN A 74 3.149 -3.383 9.737 1.00 24.21 N flip ATOM 0 H ASN A 74 5.844 -3.062 7.704 1.00 55.13 H new ATOM 0 HA ASN A 74 4.770 -5.438 6.593 1.00 24.24 H new ATOM 0 HB2 ASN A 74 3.392 -2.784 7.249 1.00 2.03 H new ATOM 0 HB3 ASN A 74 2.595 -4.334 7.062 1.00 2.03 H new ATOM 0 HD21 ASN A 74 2.584 -2.593 9.427 1.00 24.21 H new ATOM 0 HD22 ASN A 74 3.275 -3.560 10.734 1.00 24.21 H new ATOM 1208 N GLU A 75 4.763 -2.772 4.654 1.00 10.43 N ATOM 1209 CA GLU A 75 4.508 -2.223 3.306 1.00 5.15 C ATOM 1210 C GLU A 75 5.517 -2.766 2.276 1.00 22.32 C ATOM 1211 O GLU A 75 5.204 -2.878 1.088 1.00 21.25 O ATOM 1212 CB GLU A 75 4.520 -0.683 3.401 1.00 32.11 C ATOM 1213 CG GLU A 75 4.216 0.098 2.122 1.00 43.43 C ATOM 1214 CD GLU A 75 3.969 1.594 2.396 1.00 31.53 C ATOM 1215 OE1 GLU A 75 2.808 2.049 2.281 1.00 73.51 O ATOM 1216 OE2 GLU A 75 4.915 2.309 2.778 1.00 51.04 O ATOM 0 H GLU A 75 5.233 -2.113 5.274 1.00 10.43 H new ATOM 0 HA GLU A 75 3.530 -2.544 2.948 1.00 5.15 H new ATOM 0 HB2 GLU A 75 3.795 -0.386 4.159 1.00 32.11 H new ATOM 0 HB3 GLU A 75 5.502 -0.374 3.760 1.00 32.11 H new ATOM 0 HG2 GLU A 75 5.049 -0.009 1.427 1.00 43.43 H new ATOM 0 HG3 GLU A 75 3.339 -0.330 1.637 1.00 43.43 H new ATOM 1223 N GLN A 76 6.722 -3.120 2.756 1.00 32.11 N ATOM 1224 CA GLN A 76 7.721 -3.858 1.961 1.00 42.53 C ATOM 1225 C GLN A 76 7.199 -5.277 1.652 1.00 14.44 C ATOM 1226 O GLN A 76 7.366 -5.789 0.539 1.00 52.13 O ATOM 1227 CB GLN A 76 9.063 -3.941 2.733 1.00 23.11 C ATOM 1228 CG GLN A 76 10.175 -4.752 2.035 1.00 15.33 C ATOM 1229 CD GLN A 76 11.480 -4.850 2.831 1.00 65.44 C ATOM 1230 OE1 GLN A 76 11.392 -4.897 4.154 1.00 40.22 O flip ATOM 1231 NE2 GLN A 76 12.569 -4.921 2.251 1.00 45.41 N flip ATOM 0 H GLN A 76 7.031 -2.903 3.704 1.00 32.11 H new ATOM 0 HA GLN A 76 7.889 -3.328 1.023 1.00 42.53 H new ATOM 0 HB2 GLN A 76 9.428 -2.928 2.905 1.00 23.11 H new ATOM 0 HB3 GLN A 76 8.874 -4.382 3.712 1.00 23.11 H new ATOM 0 HG2 GLN A 76 9.806 -5.759 1.840 1.00 15.33 H new ATOM 0 HG3 GLN A 76 10.387 -4.297 1.067 1.00 15.33 H new ATOM 0 HE21 GLN A 76 12.608 -4.882 1.232 1.00 45.41 H new ATOM 0 HE22 GLN A 76 13.429 -5.018 2.791 1.00 45.41 H new ATOM 1240 N LEU A 77 6.567 -5.895 2.668 1.00 73.10 N ATOM 1241 CA LEU A 77 5.954 -7.227 2.535 1.00 55.43 C ATOM 1242 C LEU A 77 4.727 -7.178 1.605 1.00 20.23 C ATOM 1243 O LEU A 77 4.459 -8.145 0.905 1.00 73.21 O ATOM 1244 CB LEU A 77 5.574 -7.795 3.927 1.00 25.13 C ATOM 1245 CG LEU A 77 6.766 -8.059 4.897 1.00 12.30 C ATOM 1246 CD1 LEU A 77 6.273 -8.532 6.277 1.00 72.31 C ATOM 1247 CD2 LEU A 77 7.771 -9.058 4.287 1.00 63.13 C ATOM 0 H LEU A 77 6.468 -5.487 3.598 1.00 73.10 H new ATOM 0 HA LEU A 77 6.687 -7.896 2.084 1.00 55.43 H new ATOM 0 HB2 LEU A 77 4.886 -7.100 4.407 1.00 25.13 H new ATOM 0 HB3 LEU A 77 5.033 -8.730 3.782 1.00 25.13 H new ATOM 0 HG LEU A 77 7.288 -7.113 5.043 1.00 12.30 H new ATOM 0 HD11 LEU A 77 7.129 -8.707 6.929 1.00 72.31 H new ATOM 0 HD12 LEU A 77 5.633 -7.767 6.716 1.00 72.31 H new ATOM 0 HD13 LEU A 77 5.708 -9.457 6.164 1.00 72.31 H new ATOM 0 HD21 LEU A 77 8.591 -9.222 4.986 1.00 63.13 H new ATOM 0 HD22 LEU A 77 7.268 -10.005 4.089 1.00 63.13 H new ATOM 0 HD23 LEU A 77 8.165 -8.654 3.354 1.00 63.13 H new ATOM 1259 N LEU A 78 3.998 -6.036 1.606 1.00 4.23 N ATOM 1260 CA LEU A 78 2.888 -5.788 0.657 1.00 2.32 C ATOM 1261 C LEU A 78 3.427 -5.718 -0.771 1.00 21.43 C ATOM 1262 O LEU A 78 2.860 -6.313 -1.676 1.00 5.01 O ATOM 1263 CB LEU A 78 2.154 -4.461 0.972 1.00 53.21 C ATOM 1264 CG LEU A 78 1.410 -4.381 2.327 1.00 52.21 C ATOM 1265 CD1 LEU A 78 0.883 -2.952 2.564 1.00 2.23 C ATOM 1266 CD2 LEU A 78 0.283 -5.437 2.406 1.00 55.12 C ATOM 0 H LEU A 78 4.161 -5.269 2.258 1.00 4.23 H new ATOM 0 HA LEU A 78 2.183 -6.613 0.759 1.00 2.32 H new ATOM 0 HB2 LEU A 78 2.884 -3.652 0.937 1.00 53.21 H new ATOM 0 HB3 LEU A 78 1.433 -4.274 0.177 1.00 53.21 H new ATOM 0 HG LEU A 78 2.114 -4.611 3.127 1.00 52.21 H new ATOM 0 HD11 LEU A 78 0.362 -2.910 3.520 1.00 2.23 H new ATOM 0 HD12 LEU A 78 1.719 -2.253 2.576 1.00 2.23 H new ATOM 0 HD13 LEU A 78 0.195 -2.681 1.764 1.00 2.23 H new ATOM 0 HD21 LEU A 78 -0.223 -5.358 3.368 1.00 55.12 H new ATOM 0 HD22 LEU A 78 -0.434 -5.264 1.604 1.00 55.12 H new ATOM 0 HD23 LEU A 78 0.711 -6.434 2.302 1.00 55.12 H new ATOM 1278 N LYS A 79 4.533 -4.969 -0.940 1.00 71.24 N ATOM 1279 CA LYS A 79 5.196 -4.790 -2.233 1.00 31.44 C ATOM 1280 C LYS A 79 5.510 -6.159 -2.872 1.00 42.53 C ATOM 1281 O LYS A 79 5.097 -6.416 -3.996 1.00 12.32 O ATOM 1282 CB LYS A 79 6.486 -3.950 -2.052 1.00 14.43 C ATOM 1283 CG LYS A 79 7.341 -3.797 -3.330 1.00 31.44 C ATOM 1284 CD LYS A 79 8.602 -2.930 -3.114 1.00 64.12 C ATOM 1285 CE LYS A 79 9.546 -2.957 -4.332 1.00 2.13 C ATOM 1286 NZ LYS A 79 8.887 -2.473 -5.578 1.00 45.44 N ATOM 0 H LYS A 79 4.989 -4.471 -0.176 1.00 71.24 H new ATOM 0 HA LYS A 79 4.527 -4.253 -2.906 1.00 31.44 H new ATOM 0 HB2 LYS A 79 6.210 -2.958 -1.695 1.00 14.43 H new ATOM 0 HB3 LYS A 79 7.097 -4.410 -1.275 1.00 14.43 H new ATOM 0 HG2 LYS A 79 7.642 -4.785 -3.679 1.00 31.44 H new ATOM 0 HG3 LYS A 79 6.732 -3.352 -4.117 1.00 31.44 H new ATOM 0 HD2 LYS A 79 8.303 -1.902 -2.912 1.00 64.12 H new ATOM 0 HD3 LYS A 79 9.138 -3.285 -2.234 1.00 64.12 H new ATOM 0 HE2 LYS A 79 10.420 -2.339 -4.124 1.00 2.13 H new ATOM 0 HE3 LYS A 79 9.905 -3.975 -4.487 1.00 2.13 H new ATOM 0 HZ1 LYS A 79 9.564 -2.511 -6.366 1.00 45.44 H new ATOM 0 HZ2 LYS A 79 8.069 -3.077 -5.795 1.00 45.44 H new ATOM 0 HZ3 LYS A 79 8.568 -1.492 -5.443 1.00 45.44 H new ATOM 1300 N GLY A 80 6.187 -7.036 -2.098 1.00 55.42 N ATOM 1301 CA GLY A 80 6.564 -8.375 -2.564 1.00 41.32 C ATOM 1302 C GLY A 80 5.366 -9.296 -2.808 1.00 35.35 C ATOM 1303 O GLY A 80 5.250 -9.898 -3.879 1.00 44.12 O ATOM 0 H GLY A 80 6.482 -6.832 -1.143 1.00 55.42 H new ATOM 0 HA2 GLY A 80 7.135 -8.282 -3.488 1.00 41.32 H new ATOM 0 HA3 GLY A 80 7.222 -8.836 -1.827 1.00 41.32 H new ATOM 1307 N LEU A 81 4.460 -9.361 -1.812 1.00 2.23 N ATOM 1308 CA LEU A 81 3.273 -10.255 -1.812 1.00 13.50 C ATOM 1309 C LEU A 81 2.365 -9.939 -3.012 1.00 62.12 C ATOM 1310 O LEU A 81 2.060 -10.815 -3.831 1.00 43.25 O ATOM 1311 CB LEU A 81 2.513 -10.078 -0.453 1.00 3.21 C ATOM 1312 CG LEU A 81 1.421 -11.139 -0.044 1.00 23.14 C ATOM 1313 CD1 LEU A 81 1.094 -11.022 1.462 1.00 32.32 C ATOM 1314 CD2 LEU A 81 0.113 -11.020 -0.867 1.00 30.45 C ATOM 0 H LEU A 81 4.529 -8.788 -0.971 1.00 2.23 H new ATOM 0 HA LEU A 81 3.586 -11.295 -1.910 1.00 13.50 H new ATOM 0 HB2 LEU A 81 3.260 -10.052 0.341 1.00 3.21 H new ATOM 0 HB3 LEU A 81 2.032 -9.100 -0.470 1.00 3.21 H new ATOM 0 HG LEU A 81 1.851 -12.117 -0.262 1.00 23.14 H new ATOM 0 HD11 LEU A 81 0.339 -11.761 1.729 1.00 32.32 H new ATOM 0 HD12 LEU A 81 1.997 -11.200 2.045 1.00 32.32 H new ATOM 0 HD13 LEU A 81 0.715 -10.023 1.675 1.00 32.32 H new ATOM 0 HD21 LEU A 81 -0.596 -11.779 -0.535 1.00 30.45 H new ATOM 0 HD22 LEU A 81 -0.320 -10.030 -0.721 1.00 30.45 H new ATOM 0 HD23 LEU A 81 0.334 -11.167 -1.924 1.00 30.45 H new ATOM 1326 N LEU A 82 1.953 -8.664 -3.098 1.00 62.13 N ATOM 1327 CA LEU A 82 1.046 -8.184 -4.140 1.00 60.42 C ATOM 1328 C LEU A 82 1.736 -8.217 -5.515 1.00 32.33 C ATOM 1329 O LEU A 82 1.055 -8.339 -6.510 1.00 50.45 O ATOM 1330 CB LEU A 82 0.517 -6.757 -3.808 1.00 23.34 C ATOM 1331 CG LEU A 82 -0.159 -6.577 -2.409 1.00 10.14 C ATOM 1332 CD1 LEU A 82 -0.653 -5.127 -2.206 1.00 24.54 C ATOM 1333 CD2 LEU A 82 -1.287 -7.599 -2.188 1.00 25.00 C ATOM 0 H LEU A 82 2.243 -7.939 -2.442 1.00 62.13 H new ATOM 0 HA LEU A 82 0.186 -8.852 -4.178 1.00 60.42 H new ATOM 0 HB2 LEU A 82 1.351 -6.058 -3.878 1.00 23.34 H new ATOM 0 HB3 LEU A 82 -0.203 -6.472 -4.575 1.00 23.34 H new ATOM 0 HG LEU A 82 0.600 -6.771 -1.652 1.00 10.14 H new ATOM 0 HD11 LEU A 82 -1.118 -5.035 -1.224 1.00 24.54 H new ATOM 0 HD12 LEU A 82 0.192 -4.442 -2.273 1.00 24.54 H new ATOM 0 HD13 LEU A 82 -1.382 -4.880 -2.977 1.00 24.54 H new ATOM 0 HD21 LEU A 82 -1.732 -7.443 -1.206 1.00 25.00 H new ATOM 0 HD22 LEU A 82 -2.049 -7.471 -2.957 1.00 25.00 H new ATOM 0 HD23 LEU A 82 -0.880 -8.608 -2.245 1.00 25.00 H new ATOM 1345 N GLN A 83 3.091 -8.105 -5.553 1.00 33.33 N ATOM 1346 CA GLN A 83 3.872 -8.236 -6.812 1.00 51.32 C ATOM 1347 C GLN A 83 3.670 -9.626 -7.418 1.00 14.34 C ATOM 1348 O GLN A 83 3.475 -9.754 -8.632 1.00 72.10 O ATOM 1349 CB GLN A 83 5.382 -7.989 -6.564 1.00 60.43 C ATOM 1350 CG GLN A 83 6.276 -8.057 -7.820 1.00 55.12 C ATOM 1351 CD GLN A 83 7.779 -7.966 -7.523 1.00 32.10 C ATOM 1352 OE1 GLN A 83 8.222 -8.524 -6.400 1.00 73.14 O flip ATOM 1353 NE2 GLN A 83 8.550 -7.435 -8.331 1.00 72.33 N flip ATOM 0 H GLN A 83 3.663 -7.925 -4.728 1.00 33.33 H new ATOM 0 HA GLN A 83 3.510 -7.481 -7.509 1.00 51.32 H new ATOM 0 HB2 GLN A 83 5.502 -7.008 -6.105 1.00 60.43 H new ATOM 0 HB3 GLN A 83 5.740 -8.724 -5.843 1.00 60.43 H new ATOM 0 HG2 GLN A 83 6.076 -8.991 -8.345 1.00 55.12 H new ATOM 0 HG3 GLN A 83 6.000 -7.246 -8.494 1.00 55.12 H new ATOM 0 HE21 GLN A 83 8.183 -7.014 -9.185 1.00 72.33 H new ATOM 0 HE22 GLN A 83 9.552 -7.418 -8.144 1.00 72.33 H new ATOM 1362 N GLN A 84 3.725 -10.654 -6.546 1.00 34.30 N ATOM 1363 CA GLN A 84 3.478 -12.054 -6.931 1.00 22.22 C ATOM 1364 C GLN A 84 2.071 -12.182 -7.526 1.00 3.01 C ATOM 1365 O GLN A 84 1.901 -12.677 -8.642 1.00 43.42 O ATOM 1366 CB GLN A 84 3.623 -12.989 -5.701 1.00 30.32 C ATOM 1367 CG GLN A 84 4.978 -12.885 -4.969 1.00 50.41 C ATOM 1368 CD GLN A 84 5.036 -13.650 -3.638 1.00 51.43 C ATOM 1369 OE1 GLN A 84 5.717 -13.232 -2.696 1.00 12.41 O ATOM 1370 NE2 GLN A 84 4.362 -14.790 -3.550 1.00 55.12 N ATOM 0 H GLN A 84 3.942 -10.534 -5.557 1.00 34.30 H new ATOM 0 HA GLN A 84 4.214 -12.351 -7.678 1.00 22.22 H new ATOM 0 HB2 GLN A 84 2.825 -12.763 -4.994 1.00 30.32 H new ATOM 0 HB3 GLN A 84 3.479 -14.019 -6.026 1.00 30.32 H new ATOM 0 HG2 GLN A 84 5.763 -13.261 -5.626 1.00 50.41 H new ATOM 0 HG3 GLN A 84 5.197 -11.834 -4.781 1.00 50.41 H new ATOM 0 HE21 GLN A 84 3.806 -15.116 -4.341 1.00 55.12 H new ATOM 0 HE22 GLN A 84 4.400 -15.340 -2.692 1.00 55.12 H new ATOM 1379 N ARG A 85 1.085 -11.662 -6.770 1.00 24.13 N ATOM 1380 CA ARG A 85 -0.341 -11.722 -7.132 1.00 24.24 C ATOM 1381 C ARG A 85 -0.624 -11.018 -8.478 1.00 71.43 C ATOM 1382 O ARG A 85 -1.328 -11.564 -9.316 1.00 63.33 O ATOM 1383 CB ARG A 85 -1.192 -11.088 -6.003 1.00 34.15 C ATOM 1384 CG ARG A 85 -1.033 -11.750 -4.615 1.00 32.20 C ATOM 1385 CD ARG A 85 -1.726 -13.126 -4.474 1.00 65.54 C ATOM 1386 NE ARG A 85 -1.018 -14.267 -5.107 1.00 1.40 N ATOM 1387 CZ ARG A 85 -0.831 -15.476 -4.514 1.00 31.53 C ATOM 1388 NH1 ARG A 85 -1.280 -15.720 -3.280 1.00 1.35 N ATOM 1389 NH2 ARG A 85 -0.258 -16.460 -5.186 1.00 15.01 N ATOM 0 H ARG A 85 1.259 -11.186 -5.885 1.00 24.13 H new ATOM 0 HA ARG A 85 -0.614 -12.770 -7.252 1.00 24.24 H new ATOM 0 HB2 ARG A 85 -0.929 -10.034 -5.918 1.00 34.15 H new ATOM 0 HB3 ARG A 85 -2.242 -11.132 -6.292 1.00 34.15 H new ATOM 0 HG2 ARG A 85 0.030 -11.870 -4.404 1.00 32.20 H new ATOM 0 HG3 ARG A 85 -1.434 -11.077 -3.858 1.00 32.20 H new ATOM 0 HD2 ARG A 85 -1.852 -13.343 -3.413 1.00 65.54 H new ATOM 0 HD3 ARG A 85 -2.724 -13.056 -4.906 1.00 65.54 H new ATOM 0 HE ARG A 85 -0.648 -14.135 -6.048 1.00 1.40 H new ATOM 0 HH11 ARG A 85 -1.774 -14.992 -2.764 1.00 1.35 H new ATOM 0 HH12 ARG A 85 -1.129 -16.634 -2.854 1.00 1.35 H new ATOM 0 HH21 ARG A 85 0.044 -16.312 -6.149 1.00 15.01 H new ATOM 0 HH22 ARG A 85 -0.118 -17.367 -4.741 1.00 15.01 H new ATOM 1403 N LEU A 86 -0.039 -9.816 -8.674 1.00 22.41 N ATOM 1404 CA LEU A 86 -0.255 -8.988 -9.885 1.00 1.22 C ATOM 1405 C LEU A 86 0.460 -9.573 -11.103 1.00 3.14 C ATOM 1406 O LEU A 86 0.000 -9.395 -12.227 1.00 62.03 O ATOM 1407 CB LEU A 86 0.215 -7.519 -9.671 1.00 3.22 C ATOM 1408 CG LEU A 86 -0.575 -6.689 -8.619 1.00 60.23 C ATOM 1409 CD1 LEU A 86 -0.045 -5.248 -8.544 1.00 15.51 C ATOM 1410 CD2 LEU A 86 -2.086 -6.721 -8.905 1.00 41.03 C ATOM 0 H LEU A 86 0.596 -9.391 -7.999 1.00 22.41 H new ATOM 0 HA LEU A 86 -1.329 -8.991 -10.070 1.00 1.22 H new ATOM 0 HB2 LEU A 86 1.264 -7.535 -9.376 1.00 3.22 H new ATOM 0 HB3 LEU A 86 0.160 -7.000 -10.628 1.00 3.22 H new ATOM 0 HG LEU A 86 -0.419 -7.149 -7.643 1.00 60.23 H new ATOM 0 HD11 LEU A 86 -0.614 -4.689 -7.801 1.00 15.51 H new ATOM 0 HD12 LEU A 86 1.007 -5.262 -8.260 1.00 15.51 H new ATOM 0 HD13 LEU A 86 -0.152 -4.770 -9.518 1.00 15.51 H new ATOM 0 HD21 LEU A 86 -2.611 -6.132 -8.153 1.00 41.03 H new ATOM 0 HD22 LEU A 86 -2.278 -6.303 -9.893 1.00 41.03 H new ATOM 0 HD23 LEU A 86 -2.441 -7.751 -8.872 1.00 41.03 H new ATOM 1422 N ASP A 87 1.600 -10.240 -10.862 1.00 63.54 N ATOM 1423 CA ASP A 87 2.359 -10.944 -11.910 1.00 70.31 C ATOM 1424 C ASP A 87 1.516 -12.112 -12.454 1.00 72.45 C ATOM 1425 O ASP A 87 1.468 -12.340 -13.665 1.00 75.12 O ATOM 1426 CB ASP A 87 3.713 -11.461 -11.349 1.00 32.42 C ATOM 1427 CG ASP A 87 4.524 -12.275 -12.375 1.00 42.30 C ATOM 1428 OD1 ASP A 87 5.225 -11.667 -13.205 1.00 31.22 O ATOM 1429 OD2 ASP A 87 4.462 -13.526 -12.353 1.00 62.14 O ATOM 0 H ASP A 87 2.022 -10.307 -9.936 1.00 63.54 H new ATOM 0 HA ASP A 87 2.575 -10.251 -12.723 1.00 70.31 H new ATOM 0 HB2 ASP A 87 4.309 -10.611 -11.016 1.00 32.42 H new ATOM 0 HB3 ASP A 87 3.523 -12.080 -10.472 1.00 32.42 H new ATOM 1434 N GLU A 88 0.835 -12.811 -11.525 1.00 33.14 N ATOM 1435 CA GLU A 88 -0.061 -13.935 -11.836 1.00 30.34 C ATOM 1436 C GLU A 88 -1.329 -13.443 -12.556 1.00 63.13 C ATOM 1437 O GLU A 88 -1.702 -14.007 -13.582 1.00 51.42 O ATOM 1438 CB GLU A 88 -0.415 -14.695 -10.532 1.00 33.43 C ATOM 1439 CG GLU A 88 0.786 -15.411 -9.884 1.00 31.23 C ATOM 1440 CD GLU A 88 0.495 -15.911 -8.467 1.00 22.22 C ATOM 1441 OE1 GLU A 88 -0.046 -17.030 -8.309 1.00 75.23 O ATOM 1442 OE2 GLU A 88 0.779 -15.174 -7.502 1.00 71.22 O ATOM 0 H GLU A 88 0.894 -12.606 -10.527 1.00 33.14 H new ATOM 0 HA GLU A 88 0.451 -14.621 -12.511 1.00 30.34 H new ATOM 0 HB2 GLU A 88 -0.836 -13.990 -9.815 1.00 33.43 H new ATOM 0 HB3 GLU A 88 -1.190 -15.430 -10.750 1.00 33.43 H new ATOM 0 HG2 GLU A 88 1.077 -16.256 -10.508 1.00 31.23 H new ATOM 0 HG3 GLU A 88 1.635 -14.729 -9.855 1.00 31.23 H new ATOM 1449 N LEU A 89 -1.958 -12.367 -12.021 1.00 53.55 N ATOM 1450 CA LEU A 89 -3.173 -11.762 -12.612 1.00 31.14 C ATOM 1451 C LEU A 89 -2.884 -11.297 -14.043 1.00 74.25 C ATOM 1452 O LEU A 89 -3.609 -11.660 -14.958 1.00 23.41 O ATOM 1453 CB LEU A 89 -3.715 -10.581 -11.745 1.00 72.13 C ATOM 1454 CG LEU A 89 -4.300 -10.971 -10.351 1.00 45.04 C ATOM 1455 CD1 LEU A 89 -4.725 -9.722 -9.558 1.00 24.52 C ATOM 1456 CD2 LEU A 89 -5.469 -11.971 -10.488 1.00 63.32 C ATOM 0 H LEU A 89 -1.638 -11.898 -11.173 1.00 53.55 H new ATOM 0 HA LEU A 89 -3.950 -12.526 -12.636 1.00 31.14 H new ATOM 0 HB2 LEU A 89 -2.906 -9.867 -11.591 1.00 72.13 H new ATOM 0 HB3 LEU A 89 -4.491 -10.066 -12.312 1.00 72.13 H new ATOM 0 HG LEU A 89 -3.509 -11.468 -9.790 1.00 45.04 H new ATOM 0 HD11 LEU A 89 -5.129 -10.024 -8.592 1.00 24.52 H new ATOM 0 HD12 LEU A 89 -3.860 -9.077 -9.404 1.00 24.52 H new ATOM 0 HD13 LEU A 89 -5.488 -9.179 -10.116 1.00 24.52 H new ATOM 0 HD21 LEU A 89 -5.852 -12.221 -9.499 1.00 63.32 H new ATOM 0 HD22 LEU A 89 -6.265 -11.522 -11.082 1.00 63.32 H new ATOM 0 HD23 LEU A 89 -5.117 -12.878 -10.980 1.00 63.32 H new ATOM 1468 N SER A 90 -1.779 -10.547 -14.216 1.00 23.24 N ATOM 1469 CA SER A 90 -1.323 -10.054 -15.529 1.00 54.42 C ATOM 1470 C SER A 90 -1.021 -11.219 -16.490 1.00 22.24 C ATOM 1471 O SER A 90 -1.321 -11.128 -17.682 1.00 55.33 O ATOM 1472 CB SER A 90 -0.071 -9.163 -15.368 1.00 2.12 C ATOM 1473 OG SER A 90 0.374 -8.647 -16.614 1.00 3.23 O ATOM 0 H SER A 90 -1.175 -10.265 -13.444 1.00 23.24 H new ATOM 0 HA SER A 90 -2.130 -9.459 -15.958 1.00 54.42 H new ATOM 0 HB2 SER A 90 -0.297 -8.338 -14.693 1.00 2.12 H new ATOM 0 HB3 SER A 90 0.730 -9.742 -14.907 1.00 2.12 H new ATOM 0 HG SER A 90 1.166 -8.088 -16.472 1.00 3.23 H new ATOM 1479 N SER A 91 -0.439 -12.311 -15.949 1.00 10.21 N ATOM 1480 CA SER A 91 -0.113 -13.519 -16.731 1.00 13.42 C ATOM 1481 C SER A 91 -1.392 -14.174 -17.288 1.00 40.45 C ATOM 1482 O SER A 91 -1.380 -14.751 -18.378 1.00 25.32 O ATOM 1483 CB SER A 91 0.678 -14.516 -15.859 1.00 1.44 C ATOM 1484 OG SER A 91 1.043 -15.680 -16.581 1.00 62.34 O ATOM 0 H SER A 91 -0.184 -12.378 -14.964 1.00 10.21 H new ATOM 0 HA SER A 91 0.508 -13.228 -17.578 1.00 13.42 H new ATOM 0 HB2 SER A 91 1.576 -14.030 -15.477 1.00 1.44 H new ATOM 0 HB3 SER A 91 0.076 -14.799 -14.995 1.00 1.44 H new ATOM 0 HG SER A 91 1.543 -16.285 -15.995 1.00 62.34 H new ATOM 1490 N LEU A 92 -2.492 -14.069 -16.520 1.00 5.23 N ATOM 1491 CA LEU A 92 -3.815 -14.545 -16.943 1.00 65.54 C ATOM 1492 C LEU A 92 -4.390 -13.595 -18.006 1.00 44.43 C ATOM 1493 O LEU A 92 -4.788 -14.045 -19.076 1.00 12.51 O ATOM 1494 CB LEU A 92 -4.769 -14.660 -15.716 1.00 42.45 C ATOM 1495 CG LEU A 92 -4.275 -15.596 -14.572 1.00 32.24 C ATOM 1496 CD1 LEU A 92 -5.244 -15.596 -13.376 1.00 51.13 C ATOM 1497 CD2 LEU A 92 -4.007 -17.023 -15.094 1.00 45.24 C ATOM 0 H LEU A 92 -2.485 -13.651 -15.589 1.00 5.23 H new ATOM 0 HA LEU A 92 -3.718 -15.538 -17.382 1.00 65.54 H new ATOM 0 HB2 LEU A 92 -4.926 -13.663 -15.305 1.00 42.45 H new ATOM 0 HB3 LEU A 92 -5.738 -15.018 -16.063 1.00 42.45 H new ATOM 0 HG LEU A 92 -3.327 -15.198 -14.210 1.00 32.24 H new ATOM 0 HD11 LEU A 92 -4.864 -16.260 -12.600 1.00 51.13 H new ATOM 0 HD12 LEU A 92 -5.330 -14.585 -12.978 1.00 51.13 H new ATOM 0 HD13 LEU A 92 -6.225 -15.942 -13.702 1.00 51.13 H new ATOM 0 HD21 LEU A 92 -3.664 -17.652 -14.273 1.00 45.24 H new ATOM 0 HD22 LEU A 92 -4.926 -17.437 -15.509 1.00 45.24 H new ATOM 0 HD23 LEU A 92 -3.242 -16.989 -15.869 1.00 45.24 H new ATOM 1509 N ILE A 93 -4.351 -12.272 -17.709 1.00 10.12 N ATOM 1510 CA ILE A 93 -4.956 -11.204 -18.546 1.00 35.24 C ATOM 1511 C ILE A 93 -4.373 -11.197 -19.976 1.00 65.23 C ATOM 1512 O ILE A 93 -5.112 -11.059 -20.943 1.00 72.32 O ATOM 1513 CB ILE A 93 -4.771 -9.781 -17.874 1.00 50.34 C ATOM 1514 CG1 ILE A 93 -5.475 -9.736 -16.481 1.00 74.33 C ATOM 1515 CG2 ILE A 93 -5.291 -8.635 -18.780 1.00 54.32 C ATOM 1516 CD1 ILE A 93 -5.159 -8.512 -15.629 1.00 54.43 C ATOM 0 H ILE A 93 -3.893 -11.912 -16.872 1.00 10.12 H new ATOM 0 HA ILE A 93 -6.022 -11.421 -18.619 1.00 35.24 H new ATOM 0 HB ILE A 93 -3.701 -9.627 -17.736 1.00 50.34 H new ATOM 0 HG12 ILE A 93 -6.553 -9.782 -16.636 1.00 74.33 H new ATOM 0 HG13 ILE A 93 -5.195 -10.629 -15.922 1.00 74.33 H new ATOM 0 HG21 ILE A 93 -5.143 -7.679 -18.278 1.00 54.32 H new ATOM 0 HG22 ILE A 93 -4.743 -8.639 -19.722 1.00 54.32 H new ATOM 0 HG23 ILE A 93 -6.353 -8.781 -18.978 1.00 54.32 H new ATOM 0 HD11 ILE A 93 -5.697 -8.578 -14.683 1.00 54.43 H new ATOM 0 HD12 ILE A 93 -4.087 -8.471 -15.434 1.00 54.43 H new ATOM 0 HD13 ILE A 93 -5.466 -7.611 -16.159 1.00 54.43 H new ATOM 1528 N GLY A 94 -3.052 -11.382 -20.090 1.00 52.41 N ATOM 1529 CA GLY A 94 -2.380 -11.388 -21.393 1.00 13.55 C ATOM 1530 C GLY A 94 -2.782 -12.570 -22.280 1.00 43.44 C ATOM 1531 O GLY A 94 -2.660 -12.501 -23.508 1.00 31.31 O ATOM 0 H GLY A 94 -2.429 -11.529 -19.296 1.00 52.41 H new ATOM 0 HA2 GLY A 94 -2.607 -10.458 -21.915 1.00 13.55 H new ATOM 0 HA3 GLY A 94 -1.301 -11.411 -21.237 1.00 13.55 H new ATOM 1535 N GLN A 95 -3.259 -13.661 -21.647 1.00 73.34 N ATOM 1536 CA GLN A 95 -3.637 -14.905 -22.349 1.00 61.50 C ATOM 1537 C GLN A 95 -5.168 -15.010 -22.560 1.00 11.23 C ATOM 1538 O GLN A 95 -5.618 -15.631 -23.532 1.00 11.32 O ATOM 1539 CB GLN A 95 -3.116 -16.139 -21.558 1.00 2.44 C ATOM 1540 CG GLN A 95 -1.589 -16.168 -21.299 1.00 65.14 C ATOM 1541 CD GLN A 95 -0.741 -15.972 -22.561 1.00 23.01 C ATOM 1542 OE1 GLN A 95 -0.350 -14.855 -22.903 1.00 3.14 O ATOM 1543 NE2 GLN A 95 -0.466 -17.053 -23.269 1.00 60.23 N ATOM 0 H GLN A 95 -3.393 -13.705 -20.637 1.00 73.34 H new ATOM 0 HA GLN A 95 -3.174 -14.883 -23.336 1.00 61.50 H new ATOM 0 HB2 GLN A 95 -3.631 -16.177 -20.598 1.00 2.44 H new ATOM 0 HB3 GLN A 95 -3.392 -17.041 -22.104 1.00 2.44 H new ATOM 0 HG2 GLN A 95 -1.338 -15.389 -20.580 1.00 65.14 H new ATOM 0 HG3 GLN A 95 -1.326 -17.122 -20.841 1.00 65.14 H new ATOM 0 HE21 GLN A 95 -0.804 -17.965 -22.960 1.00 60.23 H new ATOM 0 HE22 GLN A 95 0.084 -16.976 -24.124 1.00 60.23 H new ATOM 1552 N VAL A 96 -5.966 -14.418 -21.648 1.00 62.52 N ATOM 1553 CA VAL A 96 -7.451 -14.527 -21.682 1.00 74.53 C ATOM 1554 C VAL A 96 -8.084 -13.301 -22.365 1.00 33.53 C ATOM 1555 O VAL A 96 -9.136 -13.414 -22.994 1.00 62.25 O ATOM 1556 CB VAL A 96 -8.073 -14.752 -20.249 1.00 21.30 C ATOM 1557 CG1 VAL A 96 -7.489 -16.021 -19.584 1.00 33.35 C ATOM 1558 CG2 VAL A 96 -7.913 -13.517 -19.326 1.00 52.51 C ATOM 0 H VAL A 96 -5.612 -13.856 -20.874 1.00 62.52 H new ATOM 0 HA VAL A 96 -7.684 -15.411 -22.275 1.00 74.53 H new ATOM 0 HB VAL A 96 -9.144 -14.898 -20.393 1.00 21.30 H new ATOM 0 HG11 VAL A 96 -7.934 -16.153 -18.598 1.00 33.35 H new ATOM 0 HG12 VAL A 96 -7.712 -16.891 -20.202 1.00 33.35 H new ATOM 0 HG13 VAL A 96 -6.409 -15.915 -19.483 1.00 33.35 H new ATOM 0 HG21 VAL A 96 -8.359 -13.729 -18.354 1.00 52.51 H new ATOM 0 HG22 VAL A 96 -6.854 -13.293 -19.198 1.00 52.51 H new ATOM 0 HG23 VAL A 96 -8.414 -12.659 -19.776 1.00 52.51 H new ATOM 1568 N LEU A 97 -7.450 -12.129 -22.217 1.00 63.40 N ATOM 1569 CA LEU A 97 -7.843 -10.906 -22.944 1.00 34.33 C ATOM 1570 C LEU A 97 -6.940 -10.833 -24.186 1.00 11.21 C ATOM 1571 O LEU A 97 -5.724 -10.642 -24.056 1.00 21.22 O ATOM 1572 CB LEU A 97 -7.660 -9.633 -22.036 1.00 32.11 C ATOM 1573 CG LEU A 97 -8.489 -8.337 -22.392 1.00 11.23 C ATOM 1574 CD1 LEU A 97 -8.168 -7.191 -21.408 1.00 71.23 C ATOM 1575 CD2 LEU A 97 -8.298 -7.856 -23.849 1.00 71.02 C ATOM 0 H LEU A 97 -6.653 -11.999 -21.594 1.00 63.40 H new ATOM 0 HA LEU A 97 -8.895 -10.936 -23.228 1.00 34.33 H new ATOM 0 HB2 LEU A 97 -7.907 -9.916 -21.013 1.00 32.11 H new ATOM 0 HB3 LEU A 97 -6.603 -9.366 -22.047 1.00 32.11 H new ATOM 0 HG LEU A 97 -9.537 -8.621 -22.295 1.00 11.23 H new ATOM 0 HD11 LEU A 97 -8.751 -6.309 -21.674 1.00 71.23 H new ATOM 0 HD12 LEU A 97 -8.420 -7.501 -20.394 1.00 71.23 H new ATOM 0 HD13 LEU A 97 -7.106 -6.953 -21.461 1.00 71.23 H new ATOM 0 HD21 LEU A 97 -8.898 -6.962 -24.019 1.00 71.02 H new ATOM 0 HD22 LEU A 97 -7.247 -7.625 -24.021 1.00 71.02 H new ATOM 0 HD23 LEU A 97 -8.614 -8.641 -24.536 1.00 71.02 H new ATOM 1587 N PHE A 98 -7.529 -11.014 -25.376 1.00 4.10 N ATOM 1588 CA PHE A 98 -6.834 -10.804 -26.649 1.00 71.00 C ATOM 1589 C PHE A 98 -6.946 -9.305 -26.976 1.00 43.02 C ATOM 1590 O PHE A 98 -7.976 -8.837 -27.453 1.00 41.34 O ATOM 1591 CB PHE A 98 -7.447 -11.690 -27.771 1.00 10.11 C ATOM 1592 CG PHE A 98 -7.505 -13.183 -27.439 1.00 2.10 C ATOM 1593 CD1 PHE A 98 -6.334 -13.926 -27.271 1.00 14.10 C ATOM 1594 CD2 PHE A 98 -8.728 -13.846 -27.291 1.00 71.23 C ATOM 1595 CE1 PHE A 98 -6.385 -15.275 -26.971 1.00 52.02 C ATOM 1596 CE2 PHE A 98 -8.774 -15.194 -26.993 1.00 52.32 C ATOM 1597 CZ PHE A 98 -7.607 -15.907 -26.827 1.00 33.35 C ATOM 0 H PHE A 98 -8.500 -11.310 -25.481 1.00 4.10 H new ATOM 0 HA PHE A 98 -5.786 -11.095 -26.576 1.00 71.00 H new ATOM 0 HB2 PHE A 98 -8.457 -11.338 -27.984 1.00 10.11 H new ATOM 0 HB3 PHE A 98 -6.864 -11.556 -28.682 1.00 10.11 H new ATOM 0 HD1 PHE A 98 -5.375 -13.440 -27.377 1.00 14.10 H new ATOM 0 HD2 PHE A 98 -9.650 -13.296 -27.411 1.00 71.23 H new ATOM 0 HE1 PHE A 98 -5.470 -15.836 -26.849 1.00 52.02 H new ATOM 0 HE2 PHE A 98 -9.728 -15.690 -26.890 1.00 52.32 H new ATOM 0 HZ PHE A 98 -7.646 -16.959 -26.585 1.00 33.35 H new ATOM 1607 N GLN A 99 -5.904 -8.547 -26.617 1.00 53.05 N ATOM 1608 CA GLN A 99 -5.907 -7.066 -26.705 1.00 55.31 C ATOM 1609 C GLN A 99 -5.601 -6.561 -28.126 1.00 23.50 C ATOM 1610 O GLN A 99 -5.741 -5.366 -28.404 1.00 4.32 O ATOM 1611 CB GLN A 99 -4.933 -6.462 -25.636 1.00 42.50 C ATOM 1612 CG GLN A 99 -3.532 -7.119 -25.531 1.00 4.33 C ATOM 1613 CD GLN A 99 -2.584 -6.882 -26.720 1.00 32.14 C ATOM 1614 OE1 GLN A 99 -1.755 -7.737 -27.039 1.00 11.41 O ATOM 1615 NE2 GLN A 99 -2.657 -5.713 -27.350 1.00 74.30 N ATOM 0 H GLN A 99 -5.032 -8.934 -26.257 1.00 53.05 H new ATOM 0 HA GLN A 99 -6.915 -6.717 -26.482 1.00 55.31 H new ATOM 0 HB2 GLN A 99 -4.798 -5.403 -25.856 1.00 42.50 H new ATOM 0 HB3 GLN A 99 -5.414 -6.526 -24.660 1.00 42.50 H new ATOM 0 HG2 GLN A 99 -3.047 -6.751 -24.627 1.00 4.33 H new ATOM 0 HG3 GLN A 99 -3.665 -8.194 -25.407 1.00 4.33 H new ATOM 0 HE21 GLN A 99 -3.353 -5.023 -27.066 1.00 74.30 H new ATOM 0 HE22 GLN A 99 -2.018 -5.506 -28.117 1.00 74.30 H new ATOM 1624 N GLY A 100 -5.180 -7.475 -29.014 1.00 12.55 N ATOM 1625 CA GLY A 100 -4.835 -7.120 -30.384 1.00 45.31 C ATOM 1626 C GLY A 100 -4.709 -8.351 -31.275 1.00 13.10 C ATOM 1627 O GLY A 100 -5.622 -8.630 -32.059 1.00 41.21 O ATOM 0 H GLY A 100 -5.073 -8.466 -28.799 1.00 12.55 H new ATOM 0 HA2 GLY A 100 -5.597 -6.455 -30.790 1.00 45.31 H new ATOM 0 HA3 GLY A 100 -3.894 -6.569 -30.391 1.00 45.31 H new ATOM 1631 N PRO A 101 -3.582 -9.134 -31.167 1.00 4.11 N ATOM 1632 CA PRO A 101 -3.360 -10.346 -31.997 1.00 45.13 C ATOM 1633 C PRO A 101 -4.121 -11.583 -31.465 1.00 42.34 C ATOM 1634 O PRO A 101 -4.920 -11.474 -30.520 1.00 34.14 O ATOM 1635 CB PRO A 101 -1.824 -10.528 -31.899 1.00 13.55 C ATOM 1636 CG PRO A 101 -1.481 -10.051 -30.517 1.00 43.41 C ATOM 1637 CD PRO A 101 -2.434 -8.897 -30.234 1.00 61.42 C ATOM 0 HA PRO A 101 -3.729 -10.239 -33.017 1.00 45.13 H new ATOM 0 HB2 PRO A 101 -1.537 -11.570 -32.043 1.00 13.55 H new ATOM 0 HB3 PRO A 101 -1.305 -9.946 -32.661 1.00 13.55 H new ATOM 0 HG2 PRO A 101 -1.604 -10.849 -29.785 1.00 43.41 H new ATOM 0 HG3 PRO A 101 -0.443 -9.724 -30.461 1.00 43.41 H new ATOM 0 HD2 PRO A 101 -2.760 -8.895 -29.194 1.00 61.42 H new ATOM 0 HD3 PRO A 101 -1.960 -7.933 -30.422 1.00 61.42 H new ATOM 1645 N SER A 102 -3.866 -12.740 -32.116 1.00 62.33 N ATOM 1646 CA SER A 102 -4.404 -14.061 -31.719 1.00 71.34 C ATOM 1647 C SER A 102 -5.939 -14.133 -31.908 1.00 0.23 C ATOM 1648 O SER A 102 -6.646 -14.821 -31.155 1.00 63.21 O ATOM 1649 CB SER A 102 -3.958 -14.412 -30.266 1.00 54.11 C ATOM 1650 OG SER A 102 -2.541 -14.375 -30.149 1.00 42.15 O ATOM 0 H SER A 102 -3.272 -12.783 -32.944 1.00 62.33 H new ATOM 0 HA SER A 102 -3.986 -14.820 -32.381 1.00 71.34 H new ATOM 0 HB2 SER A 102 -4.404 -13.707 -29.564 1.00 54.11 H new ATOM 0 HB3 SER A 102 -4.324 -15.403 -29.998 1.00 54.11 H new ATOM 0 HG SER A 102 -2.283 -14.596 -29.230 1.00 42.15 H new ATOM 1656 N ALA A 103 -6.425 -13.449 -32.958 1.00 11.42 N ATOM 1657 CA ALA A 103 -7.847 -13.422 -33.329 1.00 64.30 C ATOM 1658 C ALA A 103 -8.003 -13.052 -34.812 1.00 14.33 C ATOM 1659 O ALA A 103 -7.249 -12.221 -35.335 1.00 73.11 O ATOM 1660 CB ALA A 103 -8.617 -12.422 -32.447 1.00 65.20 C ATOM 0 H ALA A 103 -5.834 -12.895 -33.578 1.00 11.42 H new ATOM 0 HA ALA A 103 -8.264 -14.416 -33.169 1.00 64.30 H new ATOM 0 HB1 ALA A 103 -9.668 -12.416 -32.736 1.00 65.20 H new ATOM 0 HB2 ALA A 103 -8.530 -12.717 -31.401 1.00 65.20 H new ATOM 0 HB3 ALA A 103 -8.199 -11.424 -32.578 1.00 65.20 H new ATOM 1666 N GLY A 104 -9.002 -13.662 -35.473 1.00 12.12 N ATOM 1667 CA GLY A 104 -9.362 -13.330 -36.859 1.00 44.13 C ATOM 1668 C GLY A 104 -10.431 -12.240 -36.942 1.00 12.43 C ATOM 1669 O GLY A 104 -11.142 -12.131 -37.947 1.00 73.43 O ATOM 0 H GLY A 104 -9.579 -14.396 -35.062 1.00 12.12 H new ATOM 0 HA2 GLY A 104 -8.471 -13.002 -37.394 1.00 44.13 H new ATOM 0 HA3 GLY A 104 -9.723 -14.227 -37.362 1.00 44.13 H new ATOM 1673 N LEU A 105 -10.529 -11.439 -35.871 1.00 52.43 N ATOM 1674 CA LEU A 105 -11.414 -10.271 -35.771 1.00 24.34 C ATOM 1675 C LEU A 105 -10.753 -9.220 -34.858 1.00 54.43 C ATOM 1676 O LEU A 105 -9.615 -9.416 -34.415 1.00 54.54 O ATOM 1677 CB LEU A 105 -12.834 -10.706 -35.270 1.00 4.30 C ATOM 1678 CG LEU A 105 -12.909 -11.759 -34.090 1.00 75.33 C ATOM 1679 CD1 LEU A 105 -12.419 -11.193 -32.737 1.00 63.03 C ATOM 1680 CD2 LEU A 105 -14.336 -12.339 -33.959 1.00 11.04 C ATOM 0 H LEU A 105 -9.978 -11.591 -35.026 1.00 52.43 H new ATOM 0 HA LEU A 105 -11.560 -9.817 -36.751 1.00 24.34 H new ATOM 0 HB2 LEU A 105 -13.367 -9.809 -34.953 1.00 4.30 H new ATOM 0 HB3 LEU A 105 -13.378 -11.117 -36.121 1.00 4.30 H new ATOM 0 HG LEU A 105 -12.223 -12.564 -34.353 1.00 75.33 H new ATOM 0 HD11 LEU A 105 -12.496 -11.964 -31.971 1.00 63.03 H new ATOM 0 HD12 LEU A 105 -11.380 -10.876 -32.830 1.00 63.03 H new ATOM 0 HD13 LEU A 105 -13.035 -10.339 -32.455 1.00 63.03 H new ATOM 0 HD21 LEU A 105 -14.362 -13.060 -33.142 1.00 11.04 H new ATOM 0 HD22 LEU A 105 -15.039 -11.532 -33.754 1.00 11.04 H new ATOM 0 HD23 LEU A 105 -14.614 -12.835 -34.889 1.00 11.04 H new ATOM 1692 N VAL A 106 -11.454 -8.107 -34.599 1.00 72.32 N ATOM 1693 CA VAL A 106 -11.015 -7.072 -33.645 1.00 65.11 C ATOM 1694 C VAL A 106 -11.438 -7.500 -32.214 1.00 21.34 C ATOM 1695 O VAL A 106 -12.613 -7.353 -31.854 1.00 62.23 O ATOM 1696 CB VAL A 106 -11.635 -5.667 -34.009 1.00 72.12 C ATOM 1697 CG1 VAL A 106 -11.191 -4.564 -33.017 1.00 23.02 C ATOM 1698 CG2 VAL A 106 -11.296 -5.276 -35.471 1.00 23.11 C ATOM 0 H VAL A 106 -12.346 -7.896 -35.046 1.00 72.32 H new ATOM 0 HA VAL A 106 -9.931 -6.974 -33.695 1.00 65.11 H new ATOM 0 HB VAL A 106 -12.718 -5.756 -33.923 1.00 72.12 H new ATOM 0 HG11 VAL A 106 -11.641 -3.614 -33.305 1.00 23.02 H new ATOM 0 HG12 VAL A 106 -11.514 -4.828 -32.010 1.00 23.02 H new ATOM 0 HG13 VAL A 106 -10.105 -4.472 -33.037 1.00 23.02 H new ATOM 0 HG21 VAL A 106 -11.734 -4.304 -35.699 1.00 23.11 H new ATOM 0 HG22 VAL A 106 -10.214 -5.224 -35.592 1.00 23.11 H new ATOM 0 HG23 VAL A 106 -11.701 -6.025 -36.151 1.00 23.11 H new ATOM 1708 N PRO A 107 -10.505 -8.056 -31.382 1.00 31.24 N ATOM 1709 CA PRO A 107 -10.850 -8.644 -30.065 1.00 73.23 C ATOM 1710 C PRO A 107 -10.718 -7.640 -28.899 1.00 1.41 C ATOM 1711 O PRO A 107 -10.965 -7.988 -27.734 1.00 33.42 O ATOM 1712 CB PRO A 107 -9.805 -9.774 -29.976 1.00 1.24 C ATOM 1713 CG PRO A 107 -8.562 -9.202 -30.622 1.00 2.41 C ATOM 1714 CD PRO A 107 -9.034 -8.146 -31.621 1.00 43.23 C ATOM 0 HA PRO A 107 -11.887 -8.971 -29.987 1.00 73.23 H new ATOM 0 HB2 PRO A 107 -9.618 -10.059 -28.941 1.00 1.24 H new ATOM 0 HB3 PRO A 107 -10.145 -10.669 -30.496 1.00 1.24 H new ATOM 0 HG2 PRO A 107 -7.905 -8.760 -29.873 1.00 2.41 H new ATOM 0 HG3 PRO A 107 -7.992 -9.983 -31.125 1.00 2.41 H new ATOM 0 HD2 PRO A 107 -8.543 -7.188 -31.451 1.00 43.23 H new ATOM 0 HD3 PRO A 107 -8.813 -8.440 -32.647 1.00 43.23 H new ATOM 1722 N ARG A 108 -10.336 -6.395 -29.236 1.00 3.05 N ATOM 1723 CA ARG A 108 -10.099 -5.318 -28.278 1.00 42.32 C ATOM 1724 C ARG A 108 -11.453 -4.718 -27.842 1.00 70.23 C ATOM 1725 O ARG A 108 -11.926 -3.721 -28.399 1.00 72.14 O ATOM 1726 CB ARG A 108 -9.154 -4.267 -28.926 1.00 4.11 C ATOM 1727 CG ARG A 108 -8.767 -3.071 -28.029 1.00 14.23 C ATOM 1728 CD ARG A 108 -7.785 -2.107 -28.723 1.00 11.33 C ATOM 1729 NE ARG A 108 -8.325 -1.570 -29.983 1.00 4.12 N ATOM 1730 CZ ARG A 108 -7.662 -0.776 -30.841 1.00 53.04 C ATOM 1731 NH1 ARG A 108 -6.408 -0.396 -30.592 1.00 62.01 N ATOM 1732 NH2 ARG A 108 -8.265 -0.360 -31.948 1.00 2.25 N ATOM 0 H ARG A 108 -10.182 -6.111 -30.204 1.00 3.05 H new ATOM 0 HA ARG A 108 -9.608 -5.690 -27.379 1.00 42.32 H new ATOM 0 HB2 ARG A 108 -8.241 -4.772 -29.241 1.00 4.11 H new ATOM 0 HB3 ARG A 108 -9.632 -3.882 -29.827 1.00 4.11 H new ATOM 0 HG2 ARG A 108 -9.668 -2.526 -27.747 1.00 14.23 H new ATOM 0 HG3 ARG A 108 -8.317 -3.442 -27.108 1.00 14.23 H new ATOM 0 HD2 ARG A 108 -7.552 -1.282 -28.049 1.00 11.33 H new ATOM 0 HD3 ARG A 108 -6.849 -2.628 -28.924 1.00 11.33 H new ATOM 0 HE ARG A 108 -9.283 -1.822 -30.225 1.00 4.12 H new ATOM 0 HH11 ARG A 108 -5.940 -0.708 -29.741 1.00 62.01 H new ATOM 0 HH12 ARG A 108 -5.917 0.207 -31.252 1.00 62.01 H new ATOM 0 HH21 ARG A 108 -9.225 -0.643 -32.143 1.00 2.25 H new ATOM 0 HH22 ARG A 108 -7.768 0.243 -32.604 1.00 2.25 H new ATOM 1746 N GLY A 109 -12.101 -5.396 -26.881 1.00 1.14 N ATOM 1747 CA GLY A 109 -13.405 -4.986 -26.351 1.00 5.31 C ATOM 1748 C GLY A 109 -13.269 -4.125 -25.106 1.00 40.25 C ATOM 1749 O GLY A 109 -13.920 -4.393 -24.085 1.00 44.44 O ATOM 0 H GLY A 109 -11.732 -6.244 -26.451 1.00 1.14 H new ATOM 0 HA2 GLY A 109 -13.950 -4.433 -27.116 1.00 5.31 H new ATOM 0 HA3 GLY A 109 -13.996 -5.872 -26.116 1.00 5.31 H new ATOM 1753 N SER A 110 -12.411 -3.090 -25.192 1.00 55.42 N ATOM 1754 CA SER A 110 -12.126 -2.179 -24.077 1.00 3.21 C ATOM 1755 C SER A 110 -13.357 -1.295 -23.769 1.00 61.54 C ATOM 1756 O SER A 110 -13.576 -0.257 -24.408 1.00 44.22 O ATOM 1757 CB SER A 110 -10.889 -1.321 -24.421 1.00 22.12 C ATOM 1758 OG SER A 110 -9.793 -2.145 -24.812 1.00 34.31 O ATOM 0 H SER A 110 -11.896 -2.865 -26.043 1.00 55.42 H new ATOM 0 HA SER A 110 -11.909 -2.759 -23.180 1.00 3.21 H new ATOM 0 HB2 SER A 110 -11.134 -0.628 -25.226 1.00 22.12 H new ATOM 0 HB3 SER A 110 -10.607 -0.719 -23.557 1.00 22.12 H new ATOM 0 HG SER A 110 -9.021 -1.582 -25.027 1.00 34.31 H new ATOM 1764 N GLY A 111 -14.188 -1.765 -22.828 1.00 53.13 N ATOM 1765 CA GLY A 111 -15.385 -1.047 -22.396 1.00 70.52 C ATOM 1766 C GLY A 111 -16.505 -2.001 -22.022 1.00 30.45 C ATOM 1767 O GLY A 111 -17.254 -1.750 -21.061 1.00 13.03 O ATOM 0 H GLY A 111 -14.045 -2.654 -22.348 1.00 53.13 H new ATOM 0 HA2 GLY A 111 -15.143 -0.416 -21.541 1.00 70.52 H new ATOM 0 HA3 GLY A 111 -15.721 -0.386 -23.195 1.00 70.52 H new ATOM 1771 N GLY A 112 -16.633 -3.092 -22.799 1.00 34.11 N ATOM 1772 CA GLY A 112 -17.659 -4.100 -22.558 1.00 35.14 C ATOM 1773 C GLY A 112 -17.644 -5.196 -23.611 1.00 25.22 C ATOM 1774 O GLY A 112 -17.888 -4.931 -24.788 1.00 41.01 O ATOM 0 H GLY A 112 -16.032 -3.290 -23.599 1.00 34.11 H new ATOM 0 HA2 GLY A 112 -17.508 -4.542 -21.573 1.00 35.14 H new ATOM 0 HA3 GLY A 112 -18.639 -3.623 -22.546 1.00 35.14 H new ATOM 1778 N ILE A 113 -17.326 -6.425 -23.188 1.00 14.31 N ATOM 1779 CA ILE A 113 -17.416 -7.635 -24.027 1.00 4.24 C ATOM 1780 C ILE A 113 -18.764 -8.344 -23.692 1.00 45.14 C ATOM 1781 O ILE A 113 -19.445 -7.963 -22.728 1.00 42.50 O ATOM 1782 CB ILE A 113 -16.191 -8.622 -23.773 1.00 40.13 C ATOM 1783 CG1 ILE A 113 -14.809 -7.867 -23.715 1.00 23.03 C ATOM 1784 CG2 ILE A 113 -16.132 -9.743 -24.838 1.00 60.51 C ATOM 1785 CD1 ILE A 113 -14.437 -7.280 -22.355 1.00 13.33 C ATOM 0 H ILE A 113 -16.994 -6.614 -22.242 1.00 14.31 H new ATOM 0 HA ILE A 113 -17.377 -7.352 -25.079 1.00 4.24 H new ATOM 0 HB ILE A 113 -16.367 -9.073 -22.796 1.00 40.13 H new ATOM 0 HG12 ILE A 113 -14.024 -8.559 -24.020 1.00 23.03 H new ATOM 0 HG13 ILE A 113 -14.825 -7.060 -24.448 1.00 23.03 H new ATOM 0 HG21 ILE A 113 -15.284 -10.396 -24.632 1.00 60.51 H new ATOM 0 HG22 ILE A 113 -17.054 -10.324 -24.806 1.00 60.51 H new ATOM 0 HG23 ILE A 113 -16.017 -9.300 -25.827 1.00 60.51 H new ATOM 0 HD11 ILE A 113 -13.469 -6.783 -22.426 1.00 13.33 H new ATOM 0 HD12 ILE A 113 -15.195 -6.558 -22.051 1.00 13.33 H new ATOM 0 HD13 ILE A 113 -14.381 -8.080 -21.616 1.00 13.33 H new ATOM 1797 N GLU A 114 -19.169 -9.345 -24.486 1.00 54.35 N ATOM 1798 CA GLU A 114 -20.323 -10.218 -24.163 1.00 52.45 C ATOM 1799 C GLU A 114 -19.812 -11.611 -23.750 1.00 44.34 C ATOM 1800 O GLU A 114 -18.735 -12.039 -24.185 1.00 22.00 O ATOM 1801 CB GLU A 114 -21.324 -10.318 -25.361 1.00 31.54 C ATOM 1802 CG GLU A 114 -20.836 -11.082 -26.620 1.00 42.31 C ATOM 1803 CD GLU A 114 -19.695 -10.383 -27.382 1.00 20.44 C ATOM 1804 OE1 GLU A 114 -19.970 -9.501 -28.225 1.00 22.32 O ATOM 1805 OE2 GLU A 114 -18.514 -10.713 -27.140 1.00 55.02 O ATOM 0 H GLU A 114 -18.713 -9.578 -25.368 1.00 54.35 H new ATOM 0 HA GLU A 114 -20.870 -9.776 -23.330 1.00 52.45 H new ATOM 0 HB2 GLU A 114 -22.234 -10.799 -25.003 1.00 31.54 H new ATOM 0 HB3 GLU A 114 -21.595 -9.306 -25.662 1.00 31.54 H new ATOM 0 HG2 GLU A 114 -20.502 -12.076 -26.321 1.00 42.31 H new ATOM 0 HG3 GLU A 114 -21.679 -11.219 -27.297 1.00 42.31 H new ATOM 1812 N GLY A 115 -20.582 -12.308 -22.899 1.00 70.34 N ATOM 1813 CA GLY A 115 -20.213 -13.648 -22.416 1.00 31.10 C ATOM 1814 C GLY A 115 -19.493 -13.608 -21.070 1.00 24.30 C ATOM 1815 O GLY A 115 -19.299 -12.527 -20.492 1.00 4.30 O ATOM 0 H GLY A 115 -21.468 -11.963 -22.530 1.00 70.34 H new ATOM 0 HA2 GLY A 115 -21.112 -14.258 -22.325 1.00 31.10 H new ATOM 0 HA3 GLY A 115 -19.572 -14.132 -23.153 1.00 31.10 H new ATOM 1819 N SER A 428 -19.092 -14.796 -20.577 1.00 12.33 N ATOM 1820 CA SER A 428 -18.412 -14.946 -19.274 1.00 73.22 C ATOM 1821 C SER A 428 -16.973 -14.399 -19.322 1.00 2.53 C ATOM 1822 O SER A 428 -16.402 -14.075 -18.270 1.00 73.23 O ATOM 1823 CB SER A 428 -18.414 -16.431 -18.832 1.00 44.04 C ATOM 1824 OG SER A 428 -17.867 -16.593 -17.526 1.00 60.13 O ATOM 0 H SER A 428 -19.230 -15.678 -21.070 1.00 12.33 H new ATOM 0 HA SER A 428 -18.965 -14.359 -18.540 1.00 73.22 H new ATOM 0 HB2 SER A 428 -19.434 -16.814 -18.849 1.00 44.04 H new ATOM 0 HB3 SER A 428 -17.839 -17.023 -19.544 1.00 44.04 H new ATOM 0 HG SER A 428 -17.885 -17.541 -17.279 1.00 60.13 H new ATOM 1830 N ILE A 429 -16.400 -14.311 -20.550 1.00 54.10 N ATOM 1831 CA ILE A 429 -15.079 -13.699 -20.799 1.00 20.12 C ATOM 1832 C ILE A 429 -15.043 -12.268 -20.241 1.00 4.15 C ATOM 1833 O ILE A 429 -14.097 -11.902 -19.553 1.00 42.34 O ATOM 1834 CB ILE A 429 -14.696 -13.745 -22.346 1.00 63.44 C ATOM 1835 CG1 ILE A 429 -13.283 -13.100 -22.671 1.00 24.40 C ATOM 1836 CG2 ILE A 429 -15.810 -13.142 -23.229 1.00 11.01 C ATOM 1837 CD1 ILE A 429 -13.250 -11.595 -22.946 1.00 71.04 C ATOM 0 H ILE A 429 -16.847 -14.666 -21.395 1.00 54.10 H new ATOM 0 HA ILE A 429 -14.324 -14.284 -20.274 1.00 20.12 H new ATOM 0 HB ILE A 429 -14.605 -14.802 -22.594 1.00 63.44 H new ATOM 0 HG12 ILE A 429 -12.617 -13.305 -21.833 1.00 24.40 H new ATOM 0 HG13 ILE A 429 -12.869 -13.612 -23.540 1.00 24.40 H new ATOM 0 HG21 ILE A 429 -15.511 -13.192 -24.276 1.00 11.01 H new ATOM 0 HG22 ILE A 429 -16.732 -13.706 -23.087 1.00 11.01 H new ATOM 0 HG23 ILE A 429 -15.974 -12.102 -22.948 1.00 11.01 H new ATOM 0 HD11 ILE A 429 -12.226 -11.285 -23.153 1.00 71.04 H new ATOM 0 HD12 ILE A 429 -13.879 -11.369 -23.807 1.00 71.04 H new ATOM 0 HD13 ILE A 429 -13.622 -11.058 -22.074 1.00 71.04 H new ATOM 1849 N ASP A 430 -16.116 -11.491 -20.512 1.00 64.42 N ATOM 1850 CA ASP A 430 -16.263 -10.111 -20.020 1.00 14.32 C ATOM 1851 C ASP A 430 -16.091 -10.050 -18.496 1.00 43.41 C ATOM 1852 O ASP A 430 -15.336 -9.232 -17.982 1.00 21.02 O ATOM 1853 CB ASP A 430 -17.657 -9.573 -20.410 1.00 34.13 C ATOM 1854 CG ASP A 430 -17.966 -8.188 -19.814 1.00 3.01 C ATOM 1855 OD1 ASP A 430 -17.416 -7.185 -20.301 1.00 24.53 O ATOM 1856 OD2 ASP A 430 -18.765 -8.099 -18.855 1.00 50.31 O ATOM 0 H ASP A 430 -16.903 -11.808 -21.079 1.00 64.42 H new ATOM 0 HA ASP A 430 -15.488 -9.495 -20.476 1.00 14.32 H new ATOM 0 HB2 ASP A 430 -17.726 -9.516 -21.496 1.00 34.13 H new ATOM 0 HB3 ASP A 430 -18.417 -10.281 -20.079 1.00 34.13 H new ATOM 1861 N GLU A 431 -16.769 -10.984 -17.818 1.00 54.41 N ATOM 1862 CA GLU A 431 -16.880 -11.016 -16.359 1.00 25.44 C ATOM 1863 C GLU A 431 -15.543 -11.394 -15.705 1.00 4.23 C ATOM 1864 O GLU A 431 -15.067 -10.683 -14.817 1.00 3.21 O ATOM 1865 CB GLU A 431 -18.001 -12.007 -15.955 1.00 30.42 C ATOM 1866 CG GLU A 431 -19.353 -11.726 -16.647 1.00 65.54 C ATOM 1867 CD GLU A 431 -20.466 -12.655 -16.165 1.00 34.32 C ATOM 1868 OE1 GLU A 431 -20.625 -13.750 -16.737 1.00 32.41 O ATOM 1869 OE2 GLU A 431 -21.164 -12.307 -15.184 1.00 43.35 O ATOM 0 H GLU A 431 -17.263 -11.750 -18.277 1.00 54.41 H new ATOM 0 HA GLU A 431 -17.138 -10.019 -16.001 1.00 25.44 H new ATOM 0 HB2 GLU A 431 -17.682 -13.021 -16.197 1.00 30.42 H new ATOM 0 HB3 GLU A 431 -18.140 -11.965 -14.875 1.00 30.42 H new ATOM 0 HG2 GLU A 431 -19.643 -10.692 -16.462 1.00 65.54 H new ATOM 0 HG3 GLU A 431 -19.235 -11.836 -17.725 1.00 65.54 H new ATOM 1876 N THR A 432 -14.928 -12.494 -16.188 1.00 61.11 N ATOM 1877 CA THR A 432 -13.690 -13.037 -15.600 1.00 40.23 C ATOM 1878 C THR A 432 -12.493 -12.096 -15.838 1.00 51.13 C ATOM 1879 O THR A 432 -11.678 -11.887 -14.936 1.00 61.31 O ATOM 1880 CB THR A 432 -13.368 -14.480 -16.131 1.00 32.44 C ATOM 1881 OG1 THR A 432 -12.241 -15.021 -15.422 1.00 1.42 O ATOM 1882 CG2 THR A 432 -13.080 -14.524 -17.641 1.00 3.01 C ATOM 0 H THR A 432 -15.273 -13.024 -16.988 1.00 61.11 H new ATOM 0 HA THR A 432 -13.861 -13.110 -14.526 1.00 40.23 H new ATOM 0 HB THR A 432 -14.262 -15.079 -15.955 1.00 32.44 H new ATOM 0 HG1 THR A 432 -11.423 -14.564 -15.710 1.00 1.42 H new ATOM 0 HG21 THR A 432 -12.866 -15.550 -17.941 1.00 3.01 H new ATOM 0 HG22 THR A 432 -13.950 -14.160 -18.188 1.00 3.01 H new ATOM 0 HG23 THR A 432 -12.220 -13.893 -17.866 1.00 3.01 H new ATOM 1890 N VAL A 433 -12.422 -11.517 -17.054 1.00 4.31 N ATOM 1891 CA VAL A 433 -11.381 -10.553 -17.428 1.00 71.32 C ATOM 1892 C VAL A 433 -11.550 -9.266 -16.611 1.00 64.41 C ATOM 1893 O VAL A 433 -10.561 -8.687 -16.179 1.00 11.45 O ATOM 1894 CB VAL A 433 -11.404 -10.249 -18.977 1.00 33.45 C ATOM 1895 CG1 VAL A 433 -10.495 -9.058 -19.347 1.00 71.23 C ATOM 1896 CG2 VAL A 433 -11.009 -11.508 -19.789 1.00 5.50 C ATOM 0 H VAL A 433 -13.089 -11.709 -17.802 1.00 4.31 H new ATOM 0 HA VAL A 433 -10.408 -10.990 -17.202 1.00 71.32 H new ATOM 0 HB VAL A 433 -12.426 -9.971 -19.236 1.00 33.45 H new ATOM 0 HG11 VAL A 433 -10.542 -8.885 -20.422 1.00 71.23 H new ATOM 0 HG12 VAL A 433 -10.833 -8.165 -18.821 1.00 71.23 H new ATOM 0 HG13 VAL A 433 -9.468 -9.282 -19.060 1.00 71.23 H new ATOM 0 HG21 VAL A 433 -11.031 -11.276 -20.854 1.00 5.50 H new ATOM 0 HG22 VAL A 433 -10.004 -11.822 -19.507 1.00 5.50 H new ATOM 0 HG23 VAL A 433 -11.713 -12.313 -19.578 1.00 5.50 H new ATOM 1906 N ALA A 434 -12.815 -8.854 -16.379 1.00 62.24 N ATOM 1907 CA ALA A 434 -13.139 -7.674 -15.558 1.00 63.41 C ATOM 1908 C ALA A 434 -12.783 -7.909 -14.080 1.00 63.41 C ATOM 1909 O ALA A 434 -12.475 -6.955 -13.373 1.00 64.41 O ATOM 1910 CB ALA A 434 -14.621 -7.299 -15.697 1.00 60.35 C ATOM 0 H ALA A 434 -13.635 -9.330 -16.755 1.00 62.24 H new ATOM 0 HA ALA A 434 -12.537 -6.843 -15.925 1.00 63.41 H new ATOM 0 HB1 ALA A 434 -14.835 -6.425 -15.081 1.00 60.35 H new ATOM 0 HB2 ALA A 434 -14.842 -7.071 -16.740 1.00 60.35 H new ATOM 0 HB3 ALA A 434 -15.240 -8.134 -15.369 1.00 60.35 H new ATOM 1916 N ARG A 435 -12.833 -9.183 -13.625 1.00 1.41 N ATOM 1917 CA ARG A 435 -12.429 -9.557 -12.252 1.00 21.42 C ATOM 1918 C ARG A 435 -10.903 -9.472 -12.102 1.00 24.52 C ATOM 1919 O ARG A 435 -10.408 -8.922 -11.117 1.00 3.45 O ATOM 1920 CB ARG A 435 -12.936 -10.985 -11.876 1.00 71.14 C ATOM 1921 CG ARG A 435 -14.470 -11.107 -11.711 1.00 53.15 C ATOM 1922 CD ARG A 435 -15.027 -10.149 -10.642 1.00 3.01 C ATOM 1923 NE ARG A 435 -16.483 -10.272 -10.457 1.00 10.35 N ATOM 1924 CZ ARG A 435 -17.200 -9.565 -9.562 1.00 24.04 C ATOM 1925 NH1 ARG A 435 -16.610 -8.668 -8.761 1.00 4.51 N ATOM 1926 NH2 ARG A 435 -18.510 -9.748 -9.483 1.00 54.25 N ATOM 0 H ARG A 435 -13.150 -9.970 -14.191 1.00 1.41 H new ATOM 0 HA ARG A 435 -12.891 -8.849 -11.564 1.00 21.42 H new ATOM 0 HB2 ARG A 435 -12.611 -11.685 -12.646 1.00 71.14 H new ATOM 0 HB3 ARG A 435 -12.459 -11.291 -10.945 1.00 71.14 H new ATOM 0 HG2 ARG A 435 -14.952 -10.900 -12.666 1.00 53.15 H new ATOM 0 HG3 ARG A 435 -14.723 -12.133 -11.442 1.00 53.15 H new ATOM 0 HD2 ARG A 435 -14.529 -10.345 -9.693 1.00 3.01 H new ATOM 0 HD3 ARG A 435 -14.788 -9.123 -10.922 1.00 3.01 H new ATOM 0 HE ARG A 435 -16.982 -10.938 -11.047 1.00 10.35 H new ATOM 0 HH11 ARG A 435 -15.604 -8.512 -8.824 1.00 4.51 H new ATOM 0 HH12 ARG A 435 -17.167 -8.141 -8.089 1.00 4.51 H new ATOM 0 HH21 ARG A 435 -18.969 -10.421 -10.097 1.00 54.25 H new ATOM 0 HH22 ARG A 435 -19.059 -9.216 -8.808 1.00 54.25 H new ATOM 1940 N TYR A 436 -10.172 -10.008 -13.100 1.00 53.02 N ATOM 1941 CA TYR A 436 -8.696 -9.956 -13.127 1.00 2.13 C ATOM 1942 C TYR A 436 -8.209 -8.510 -13.247 1.00 45.11 C ATOM 1943 O TYR A 436 -7.246 -8.125 -12.603 1.00 11.40 O ATOM 1944 CB TYR A 436 -8.129 -10.802 -14.295 1.00 21.10 C ATOM 1945 CG TYR A 436 -8.425 -12.302 -14.193 1.00 54.13 C ATOM 1946 CD1 TYR A 436 -8.365 -12.956 -12.960 1.00 75.31 C ATOM 1947 CD2 TYR A 436 -8.758 -13.063 -15.321 1.00 45.41 C ATOM 1948 CE1 TYR A 436 -8.640 -14.301 -12.852 1.00 71.31 C ATOM 1949 CE2 TYR A 436 -9.031 -14.410 -15.215 1.00 11.23 C ATOM 1950 CZ TYR A 436 -8.971 -15.026 -13.978 1.00 53.23 C ATOM 1951 OH TYR A 436 -9.245 -16.375 -13.864 1.00 71.44 O ATOM 0 H TYR A 436 -10.583 -10.485 -13.903 1.00 53.02 H new ATOM 0 HA TYR A 436 -8.333 -10.375 -12.189 1.00 2.13 H new ATOM 0 HB2 TYR A 436 -8.539 -10.426 -15.232 1.00 21.10 H new ATOM 0 HB3 TYR A 436 -7.049 -10.659 -14.340 1.00 21.10 H new ATOM 0 HD1 TYR A 436 -8.098 -12.397 -12.076 1.00 75.31 H new ATOM 0 HD2 TYR A 436 -8.802 -12.587 -16.289 1.00 45.41 H new ATOM 0 HE1 TYR A 436 -8.597 -14.787 -11.888 1.00 71.31 H new ATOM 0 HE2 TYR A 436 -9.291 -14.982 -16.094 1.00 11.23 H new ATOM 0 HH TYR A 436 -9.462 -16.741 -14.747 1.00 71.44 H new ATOM 1961 N LYS A 437 -8.926 -7.737 -14.072 1.00 43.50 N ATOM 1962 CA LYS A 437 -8.653 -6.321 -14.347 1.00 4.34 C ATOM 1963 C LYS A 437 -8.919 -5.469 -13.097 1.00 1.23 C ATOM 1964 O LYS A 437 -8.155 -4.559 -12.795 1.00 41.42 O ATOM 1965 CB LYS A 437 -9.539 -5.865 -15.540 1.00 50.33 C ATOM 1966 CG LYS A 437 -9.489 -4.364 -15.895 1.00 41.23 C ATOM 1967 CD LYS A 437 -10.431 -4.016 -17.077 1.00 50.51 C ATOM 1968 CE LYS A 437 -10.582 -2.501 -17.300 1.00 14.22 C ATOM 1969 NZ LYS A 437 -9.286 -1.834 -17.593 1.00 11.11 N ATOM 0 H LYS A 437 -9.736 -8.090 -14.582 1.00 43.50 H new ATOM 0 HA LYS A 437 -7.604 -6.189 -14.611 1.00 4.34 H new ATOM 0 HB2 LYS A 437 -9.245 -6.435 -16.422 1.00 50.33 H new ATOM 0 HB3 LYS A 437 -10.573 -6.130 -15.319 1.00 50.33 H new ATOM 0 HG2 LYS A 437 -9.770 -3.775 -15.022 1.00 41.23 H new ATOM 0 HG3 LYS A 437 -8.467 -4.086 -16.152 1.00 41.23 H new ATOM 0 HD2 LYS A 437 -10.047 -4.475 -17.988 1.00 50.51 H new ATOM 0 HD3 LYS A 437 -11.413 -4.450 -16.891 1.00 50.51 H new ATOM 0 HE2 LYS A 437 -11.271 -2.326 -18.126 1.00 14.22 H new ATOM 0 HE3 LYS A 437 -11.026 -2.049 -16.413 1.00 14.22 H new ATOM 0 HZ1 LYS A 437 -9.444 -0.816 -17.735 1.00 11.11 H new ATOM 0 HZ2 LYS A 437 -8.634 -1.976 -16.795 1.00 11.11 H new ATOM 0 HZ3 LYS A 437 -8.872 -2.243 -18.455 1.00 11.11 H new ATOM 1983 N ALA A 438 -10.003 -5.801 -12.369 1.00 42.35 N ATOM 1984 CA ALA A 438 -10.392 -5.089 -11.143 1.00 24.54 C ATOM 1985 C ALA A 438 -9.353 -5.304 -10.042 1.00 2.45 C ATOM 1986 O ALA A 438 -8.763 -4.339 -9.557 1.00 33.23 O ATOM 1987 CB ALA A 438 -11.776 -5.541 -10.673 1.00 23.32 C ATOM 0 H ALA A 438 -10.629 -6.568 -12.616 1.00 42.35 H new ATOM 0 HA ALA A 438 -10.438 -4.023 -11.367 1.00 24.54 H new ATOM 0 HB1 ALA A 438 -12.046 -5.002 -9.764 1.00 23.32 H new ATOM 0 HB2 ALA A 438 -12.511 -5.332 -11.451 1.00 23.32 H new ATOM 0 HB3 ALA A 438 -11.759 -6.612 -10.469 1.00 23.32 H new ATOM 1993 N GLN A 439 -9.103 -6.590 -9.704 1.00 24.14 N ATOM 1994 CA GLN A 439 -8.153 -6.969 -8.641 1.00 75.21 C ATOM 1995 C GLN A 439 -6.736 -6.482 -8.981 1.00 62.14 C ATOM 1996 O GLN A 439 -5.983 -6.081 -8.079 1.00 64.03 O ATOM 1997 CB GLN A 439 -8.157 -8.506 -8.408 1.00 14.32 C ATOM 1998 CG GLN A 439 -9.526 -9.115 -8.036 1.00 72.40 C ATOM 1999 CD GLN A 439 -10.173 -8.478 -6.800 1.00 51.11 C ATOM 2000 OE1 GLN A 439 -11.000 -7.466 -7.011 1.00 1.15 O flip ATOM 2001 NE2 GLN A 439 -9.945 -8.904 -5.669 1.00 71.35 N flip ATOM 0 H GLN A 439 -9.552 -7.386 -10.158 1.00 24.14 H new ATOM 0 HA GLN A 439 -8.474 -6.486 -7.718 1.00 75.21 H new ATOM 0 HB2 GLN A 439 -7.795 -8.995 -9.312 1.00 14.32 H new ATOM 0 HB3 GLN A 439 -7.447 -8.738 -7.614 1.00 14.32 H new ATOM 0 HG2 GLN A 439 -10.203 -9.009 -8.884 1.00 72.40 H new ATOM 0 HG3 GLN A 439 -9.402 -10.183 -7.859 1.00 72.40 H new ATOM 0 HE21 GLN A 439 -9.303 -9.685 -5.538 1.00 71.35 H new ATOM 0 HE22 GLN A 439 -10.398 -8.476 -4.862 1.00 71.35 H new ATOM 2010 N PHE A 440 -6.397 -6.492 -10.298 1.00 60.10 N ATOM 2011 CA PHE A 440 -5.109 -5.984 -10.781 1.00 61.33 C ATOM 2012 C PHE A 440 -5.001 -4.493 -10.455 1.00 21.33 C ATOM 2013 O PHE A 440 -4.236 -4.136 -9.580 1.00 35.22 O ATOM 2014 CB PHE A 440 -4.919 -6.218 -12.309 1.00 41.32 C ATOM 2015 CG PHE A 440 -3.539 -5.825 -12.840 1.00 22.34 C ATOM 2016 CD1 PHE A 440 -2.452 -6.686 -12.686 1.00 41.12 C ATOM 2017 CD2 PHE A 440 -3.323 -4.605 -13.493 1.00 21.05 C ATOM 2018 CE1 PHE A 440 -1.194 -6.333 -13.140 1.00 52.54 C ATOM 2019 CE2 PHE A 440 -2.064 -4.258 -13.949 1.00 44.11 C ATOM 2020 CZ PHE A 440 -1.003 -5.125 -13.781 1.00 24.41 C ATOM 0 H PHE A 440 -7.006 -6.849 -11.034 1.00 60.10 H new ATOM 0 HA PHE A 440 -4.317 -6.536 -10.274 1.00 61.33 H new ATOM 0 HB2 PHE A 440 -5.093 -7.272 -12.528 1.00 41.32 H new ATOM 0 HB3 PHE A 440 -5.678 -5.651 -12.848 1.00 41.32 H new ATOM 0 HD1 PHE A 440 -2.595 -7.642 -12.205 1.00 41.12 H new ATOM 0 HD2 PHE A 440 -4.150 -3.927 -13.642 1.00 21.05 H new ATOM 0 HE1 PHE A 440 -0.360 -7.003 -12.993 1.00 52.54 H new ATOM 0 HE2 PHE A 440 -1.911 -3.307 -14.437 1.00 44.11 H new ATOM 0 HZ PHE A 440 -0.024 -4.859 -14.151 1.00 24.41 H new ATOM 2030 N THR A 441 -5.882 -3.674 -11.077 1.00 11.24 N ATOM 2031 CA THR A 441 -5.824 -2.194 -11.029 1.00 1.11 C ATOM 2032 C THR A 441 -5.905 -1.647 -9.583 1.00 61.24 C ATOM 2033 O THR A 441 -5.271 -0.639 -9.261 1.00 5.25 O ATOM 2034 CB THR A 441 -6.961 -1.578 -11.907 1.00 33.41 C ATOM 2035 OG1 THR A 441 -6.886 -2.130 -13.229 1.00 33.53 O ATOM 2036 CG2 THR A 441 -6.886 -0.045 -11.998 1.00 30.42 C ATOM 0 H THR A 441 -6.662 -4.027 -11.632 1.00 11.24 H new ATOM 0 HA THR A 441 -4.855 -1.897 -11.431 1.00 1.11 H new ATOM 0 HB THR A 441 -7.908 -1.827 -11.428 1.00 33.41 H new ATOM 0 HG1 THR A 441 -7.304 -3.016 -13.238 1.00 33.53 H new ATOM 0 HG21 THR A 441 -7.701 0.323 -12.621 1.00 30.42 H new ATOM 0 HG22 THR A 441 -6.970 0.383 -10.999 1.00 30.42 H new ATOM 0 HG23 THR A 441 -5.933 0.247 -12.439 1.00 30.42 H new ATOM 2044 N GLN A 442 -6.677 -2.340 -8.730 1.00 52.22 N ATOM 2045 CA GLN A 442 -6.823 -1.999 -7.300 1.00 41.51 C ATOM 2046 C GLN A 442 -5.491 -2.173 -6.543 1.00 43.11 C ATOM 2047 O GLN A 442 -4.973 -1.214 -5.960 1.00 21.02 O ATOM 2048 CB GLN A 442 -7.929 -2.873 -6.661 1.00 72.53 C ATOM 2049 CG GLN A 442 -9.360 -2.521 -7.116 1.00 13.45 C ATOM 2050 CD GLN A 442 -10.421 -3.497 -6.606 1.00 64.34 C ATOM 2051 OE1 GLN A 442 -10.089 -4.782 -6.553 1.00 12.22 O flip ATOM 2052 NE2 GLN A 442 -11.551 -3.109 -6.306 1.00 64.41 N flip ATOM 0 H GLN A 442 -7.221 -3.156 -9.011 1.00 52.22 H new ATOM 0 HA GLN A 442 -7.110 -0.950 -7.226 1.00 41.51 H new ATOM 0 HB2 GLN A 442 -7.732 -3.918 -6.899 1.00 72.53 H new ATOM 0 HB3 GLN A 442 -7.871 -2.776 -5.577 1.00 72.53 H new ATOM 0 HG2 GLN A 442 -9.606 -1.517 -6.770 1.00 13.45 H new ATOM 0 HG3 GLN A 442 -9.391 -2.500 -8.205 1.00 13.45 H new ATOM 0 HE21 GLN A 442 -11.779 -2.116 -6.356 1.00 64.41 H new ATOM 0 HE22 GLN A 442 -12.258 -3.781 -6.008 1.00 64.41 H new ATOM 2061 N LEU A 443 -4.935 -3.399 -6.583 1.00 72.01 N ATOM 2062 CA LEU A 443 -3.656 -3.731 -5.910 1.00 32.30 C ATOM 2063 C LEU A 443 -2.456 -3.050 -6.634 1.00 52.45 C ATOM 2064 O LEU A 443 -1.374 -2.905 -6.061 1.00 13.15 O ATOM 2065 CB LEU A 443 -3.466 -5.284 -5.829 1.00 41.53 C ATOM 2066 CG LEU A 443 -4.303 -6.073 -4.745 1.00 43.13 C ATOM 2067 CD1 LEU A 443 -5.822 -5.838 -4.860 1.00 63.40 C ATOM 2068 CD2 LEU A 443 -3.980 -7.584 -4.803 1.00 64.35 C ATOM 0 H LEU A 443 -5.354 -4.186 -7.079 1.00 72.01 H new ATOM 0 HA LEU A 443 -3.690 -3.343 -4.892 1.00 32.30 H new ATOM 0 HB2 LEU A 443 -3.705 -5.702 -6.807 1.00 41.53 H new ATOM 0 HB3 LEU A 443 -2.410 -5.483 -5.647 1.00 41.53 H new ATOM 0 HG LEU A 443 -4.003 -5.677 -3.775 1.00 43.13 H new ATOM 0 HD11 LEU A 443 -6.338 -6.408 -4.087 1.00 63.40 H new ATOM 0 HD12 LEU A 443 -6.037 -4.777 -4.733 1.00 63.40 H new ATOM 0 HD13 LEU A 443 -6.167 -6.163 -5.842 1.00 63.40 H new ATOM 0 HD21 LEU A 443 -4.566 -8.110 -4.049 1.00 64.35 H new ATOM 0 HD22 LEU A 443 -4.228 -7.971 -5.791 1.00 64.35 H new ATOM 0 HD23 LEU A 443 -2.918 -7.737 -4.609 1.00 64.35 H new ATOM 2080 N ASP A 444 -2.688 -2.639 -7.899 1.00 52.32 N ATOM 2081 CA ASP A 444 -1.689 -2.004 -8.784 1.00 20.32 C ATOM 2082 C ASP A 444 -1.464 -0.540 -8.390 1.00 74.13 C ATOM 2083 O ASP A 444 -0.318 -0.122 -8.172 1.00 22.24 O ATOM 2084 CB ASP A 444 -2.178 -2.100 -10.257 1.00 3.13 C ATOM 2085 CG ASP A 444 -1.225 -1.488 -11.282 1.00 62.11 C ATOM 2086 OD1 ASP A 444 -1.428 -0.315 -11.677 1.00 5.11 O ATOM 2087 OD2 ASP A 444 -0.274 -2.174 -11.700 1.00 13.30 O ATOM 0 H ASP A 444 -3.600 -2.743 -8.344 1.00 52.32 H new ATOM 0 HA ASP A 444 -0.738 -2.527 -8.681 1.00 20.32 H new ATOM 0 HB2 ASP A 444 -2.335 -3.149 -10.507 1.00 3.13 H new ATOM 0 HB3 ASP A 444 -3.146 -1.605 -10.338 1.00 3.13 H new ATOM 2092 N THR A 445 -2.570 0.235 -8.308 1.00 41.30 N ATOM 2093 CA THR A 445 -2.520 1.639 -7.869 1.00 65.55 C ATOM 2094 C THR A 445 -2.122 1.704 -6.385 1.00 14.23 C ATOM 2095 O THR A 445 -1.471 2.660 -5.960 1.00 32.45 O ATOM 2096 CB THR A 445 -3.872 2.412 -8.112 1.00 73.32 C ATOM 2097 OG1 THR A 445 -3.701 3.815 -7.846 1.00 51.42 O ATOM 2098 CG2 THR A 445 -5.033 1.880 -7.255 1.00 33.32 C ATOM 0 H THR A 445 -3.507 -0.094 -8.542 1.00 41.30 H new ATOM 0 HA THR A 445 -1.768 2.140 -8.478 1.00 65.55 H new ATOM 0 HB THR A 445 -4.131 2.250 -9.158 1.00 73.32 H new ATOM 0 HG1 THR A 445 -4.548 4.283 -8.002 1.00 51.42 H new ATOM 0 HG21 THR A 445 -5.935 2.453 -7.468 1.00 33.32 H new ATOM 0 HG22 THR A 445 -5.207 0.830 -7.489 1.00 33.32 H new ATOM 0 HG23 THR A 445 -4.781 1.979 -6.199 1.00 33.32 H new ATOM 2106 N MET A 446 -2.512 0.653 -5.618 1.00 12.42 N ATOM 2107 CA MET A 446 -2.089 0.488 -4.228 1.00 35.13 C ATOM 2108 C MET A 446 -0.565 0.395 -4.169 1.00 61.21 C ATOM 2109 O MET A 446 0.055 1.090 -3.380 1.00 15.32 O ATOM 2110 CB MET A 446 -2.699 -0.783 -3.585 1.00 12.34 C ATOM 2111 CG MET A 446 -2.394 -0.920 -2.084 1.00 21.23 C ATOM 2112 SD MET A 446 -3.008 -2.446 -1.347 1.00 43.11 S ATOM 2113 CE MET A 446 -2.486 -2.226 0.356 1.00 63.50 C ATOM 0 H MET A 446 -3.123 -0.091 -5.955 1.00 12.42 H new ATOM 0 HA MET A 446 -2.443 1.354 -3.668 1.00 35.13 H new ATOM 0 HB2 MET A 446 -3.779 -0.770 -3.728 1.00 12.34 H new ATOM 0 HB3 MET A 446 -2.319 -1.662 -4.106 1.00 12.34 H new ATOM 0 HG2 MET A 446 -1.315 -0.866 -1.937 1.00 21.23 H new ATOM 0 HG3 MET A 446 -2.831 -0.072 -1.556 1.00 21.23 H new ATOM 0 HE1 MET A 446 -1.800 -3.026 0.632 1.00 63.50 H new ATOM 0 HE2 MET A 446 -1.983 -1.264 0.461 1.00 63.50 H new ATOM 0 HE3 MET A 446 -3.357 -2.253 1.010 1.00 63.50 H new ATOM 2123 N MET A 447 0.010 -0.460 -5.048 1.00 65.25 N ATOM 2124 CA MET A 447 1.451 -0.745 -5.076 1.00 32.53 C ATOM 2125 C MET A 447 2.276 0.491 -5.432 1.00 50.42 C ATOM 2126 O MET A 447 3.274 0.769 -4.772 1.00 35.41 O ATOM 2127 CB MET A 447 1.784 -1.888 -6.051 1.00 1.12 C ATOM 2128 CG MET A 447 3.283 -2.241 -6.109 1.00 75.00 C ATOM 2129 SD MET A 447 3.608 -3.706 -7.086 1.00 73.10 S ATOM 2130 CE MET A 447 2.691 -4.905 -6.138 1.00 34.22 C ATOM 0 H MET A 447 -0.520 -0.969 -5.756 1.00 65.25 H new ATOM 0 HA MET A 447 1.719 -1.055 -4.066 1.00 32.53 H new ATOM 0 HB2 MET A 447 1.222 -2.776 -5.760 1.00 1.12 H new ATOM 0 HB3 MET A 447 1.447 -1.611 -7.050 1.00 1.12 H new ATOM 0 HG2 MET A 447 3.835 -1.400 -6.528 1.00 75.00 H new ATOM 0 HG3 MET A 447 3.656 -2.394 -5.096 1.00 75.00 H new ATOM 0 HE1 MET A 447 2.480 -5.775 -6.759 1.00 34.22 H new ATOM 0 HE2 MET A 447 3.279 -5.211 -5.272 1.00 34.22 H new ATOM 0 HE3 MET A 447 1.753 -4.463 -5.802 1.00 34.22 H new ATOM 2140 N SER A 448 1.858 1.211 -6.481 1.00 54.13 N ATOM 2141 CA SER A 448 2.561 2.418 -6.937 1.00 45.24 C ATOM 2142 C SER A 448 2.529 3.521 -5.862 1.00 5.22 C ATOM 2143 O SER A 448 3.518 4.240 -5.676 1.00 21.44 O ATOM 2144 CB SER A 448 1.966 2.904 -8.274 1.00 52.52 C ATOM 2145 OG SER A 448 0.549 2.894 -8.247 1.00 22.44 O ATOM 0 H SER A 448 1.032 0.977 -7.032 1.00 54.13 H new ATOM 0 HA SER A 448 3.609 2.170 -7.104 1.00 45.24 H new ATOM 0 HB2 SER A 448 2.320 3.913 -8.485 1.00 52.52 H new ATOM 0 HB3 SER A 448 2.320 2.266 -9.084 1.00 52.52 H new ATOM 0 HG SER A 448 0.239 2.961 -7.320 1.00 22.44 H new ATOM 2151 N LYS A 449 1.393 3.628 -5.141 1.00 35.54 N ATOM 2152 CA LYS A 449 1.262 4.563 -4.015 1.00 21.02 C ATOM 2153 C LYS A 449 2.082 4.093 -2.803 1.00 63.24 C ATOM 2154 O LYS A 449 2.739 4.910 -2.173 1.00 61.30 O ATOM 2155 CB LYS A 449 -0.218 4.788 -3.616 1.00 72.42 C ATOM 2156 CG LYS A 449 -1.053 5.530 -4.682 1.00 1.25 C ATOM 2157 CD LYS A 449 -2.475 5.902 -4.190 1.00 71.11 C ATOM 2158 CE LYS A 449 -2.463 6.956 -3.064 1.00 71.34 C ATOM 2159 NZ LYS A 449 -3.839 7.352 -2.651 1.00 1.40 N ATOM 0 H LYS A 449 0.555 3.076 -5.323 1.00 35.54 H new ATOM 0 HA LYS A 449 1.661 5.520 -4.351 1.00 21.02 H new ATOM 0 HB2 LYS A 449 -0.680 3.821 -3.416 1.00 72.42 H new ATOM 0 HB3 LYS A 449 -0.250 5.355 -2.686 1.00 72.42 H new ATOM 0 HG2 LYS A 449 -0.528 6.438 -4.978 1.00 1.25 H new ATOM 0 HG3 LYS A 449 -1.135 4.905 -5.571 1.00 1.25 H new ATOM 0 HD2 LYS A 449 -3.057 6.281 -5.030 1.00 71.11 H new ATOM 0 HD3 LYS A 449 -2.978 5.003 -3.834 1.00 71.11 H new ATOM 0 HE2 LYS A 449 -1.927 6.559 -2.202 1.00 71.34 H new ATOM 0 HE3 LYS A 449 -1.918 7.838 -3.400 1.00 71.34 H new ATOM 0 HZ1 LYS A 449 -3.790 7.928 -1.786 1.00 1.40 H new ATOM 0 HZ2 LYS A 449 -4.284 7.906 -3.411 1.00 1.40 H new ATOM 0 HZ3 LYS A 449 -4.405 6.499 -2.467 1.00 1.40 H new ATOM 2173 N LEU A 450 2.075 2.772 -2.506 1.00 71.51 N ATOM 2174 CA LEU A 450 2.750 2.235 -1.301 1.00 54.32 C ATOM 2175 C LEU A 450 4.270 2.150 -1.509 1.00 41.21 C ATOM 2176 O LEU A 450 5.030 2.102 -0.549 1.00 11.25 O ATOM 2177 CB LEU A 450 2.122 0.879 -0.800 1.00 12.35 C ATOM 2178 CG LEU A 450 2.335 -0.455 -1.617 1.00 45.30 C ATOM 2179 CD1 LEU A 450 3.741 -1.078 -1.453 1.00 42.33 C ATOM 2180 CD2 LEU A 450 1.254 -1.501 -1.259 1.00 74.14 C ATOM 0 H LEU A 450 1.614 2.065 -3.078 1.00 71.51 H new ATOM 0 HA LEU A 450 2.576 2.945 -0.492 1.00 54.32 H new ATOM 0 HB2 LEU A 450 2.500 0.703 0.207 1.00 12.35 H new ATOM 0 HB3 LEU A 450 1.047 1.035 -0.714 1.00 12.35 H new ATOM 0 HG LEU A 450 2.243 -0.168 -2.664 1.00 45.30 H new ATOM 0 HD11 LEU A 450 3.806 -1.991 -2.046 1.00 42.33 H new ATOM 0 HD12 LEU A 450 4.495 -0.369 -1.795 1.00 42.33 H new ATOM 0 HD13 LEU A 450 3.914 -1.314 -0.403 1.00 42.33 H new ATOM 0 HD21 LEU A 450 1.423 -2.411 -1.835 1.00 74.14 H new ATOM 0 HD22 LEU A 450 1.308 -1.730 -0.195 1.00 74.14 H new ATOM 0 HD23 LEU A 450 0.268 -1.100 -1.494 1.00 74.14 H new ATOM 2192 N ASN A 451 4.701 2.123 -2.780 1.00 64.34 N ATOM 2193 CA ASN A 451 6.131 2.123 -3.138 1.00 51.30 C ATOM 2194 C ASN A 451 6.656 3.563 -3.106 1.00 62.33 C ATOM 2195 O ASN A 451 7.787 3.809 -2.678 1.00 61.21 O ATOM 2196 CB ASN A 451 6.361 1.478 -4.532 1.00 45.23 C ATOM 2197 CG ASN A 451 7.846 1.235 -4.830 1.00 74.21 C ATOM 2198 OD1 ASN A 451 8.383 0.180 -4.512 1.00 43.42 O ATOM 2199 ND2 ASN A 451 8.519 2.206 -5.418 1.00 64.53 N ATOM 0 H ASN A 451 4.074 2.101 -3.584 1.00 64.34 H new ATOM 0 HA ASN A 451 6.680 1.523 -2.412 1.00 51.30 H new ATOM 0 HB2 ASN A 451 5.824 0.531 -4.583 1.00 45.23 H new ATOM 0 HB3 ASN A 451 5.941 2.125 -5.302 1.00 45.23 H new ATOM 0 HD21 ASN A 451 9.512 2.089 -5.619 1.00 64.53 H new ATOM 0 HD22 ASN A 451 8.046 3.073 -5.672 1.00 64.53 H new ATOM 2206 N ASN A 452 5.802 4.501 -3.569 1.00 12.42 N ATOM 2207 CA ASN A 452 6.043 5.958 -3.469 1.00 63.53 C ATOM 2208 C ASN A 452 6.237 6.353 -1.998 1.00 12.31 C ATOM 2209 O ASN A 452 7.231 7.019 -1.641 1.00 52.13 O ATOM 2210 CB ASN A 452 4.835 6.738 -4.076 1.00 51.43 C ATOM 2211 CG ASN A 452 4.908 8.263 -3.909 1.00 13.23 C ATOM 2212 OD1 ASN A 452 5.988 8.865 -3.939 1.00 44.23 O ATOM 2213 ND2 ASN A 452 3.759 8.904 -3.723 1.00 3.54 N ATOM 0 H ASN A 452 4.920 4.268 -4.026 1.00 12.42 H new ATOM 0 HA ASN A 452 6.945 6.211 -4.027 1.00 63.53 H new ATOM 0 HB2 ASN A 452 4.766 6.505 -5.139 1.00 51.43 H new ATOM 0 HB3 ASN A 452 3.917 6.379 -3.611 1.00 51.43 H new ATOM 0 HD21 ASN A 452 3.754 9.917 -3.601 1.00 3.54 H new ATOM 0 HD22 ASN A 452 2.882 8.383 -3.702 1.00 3.54 H new ATOM 2220 N THR A 453 5.286 5.898 -1.153 1.00 43.20 N ATOM 2221 CA THR A 453 5.283 6.199 0.271 1.00 13.15 C ATOM 2222 C THR A 453 6.525 5.593 0.931 1.00 21.53 C ATOM 2223 O THR A 453 7.361 6.352 1.386 1.00 22.15 O ATOM 2224 CB THR A 453 3.970 5.730 0.974 1.00 44.45 C ATOM 2225 OG1 THR A 453 3.772 4.355 0.706 1.00 75.32 O ATOM 2226 CG2 THR A 453 2.728 6.517 0.503 1.00 43.20 C ATOM 0 H THR A 453 4.505 5.313 -1.452 1.00 43.20 H new ATOM 0 HA THR A 453 5.316 7.282 0.388 1.00 13.15 H new ATOM 0 HB THR A 453 4.087 5.913 2.042 1.00 44.45 H new ATOM 0 HG1 THR A 453 3.286 3.943 1.451 1.00 75.32 H new ATOM 0 HG21 THR A 453 1.845 6.149 1.025 1.00 43.20 H new ATOM 0 HG22 THR A 453 2.864 7.576 0.722 1.00 43.20 H new ATOM 0 HG23 THR A 453 2.598 6.383 -0.571 1.00 43.20 H new ATOM 2234 N SER A 454 6.674 4.239 0.887 1.00 33.35 N ATOM 2235 CA SER A 454 7.805 3.516 1.529 1.00 62.43 C ATOM 2236 C SER A 454 9.181 4.094 1.142 1.00 13.34 C ATOM 2237 O SER A 454 10.113 4.060 1.948 1.00 50.12 O ATOM 2238 CB SER A 454 7.759 2.003 1.211 1.00 44.43 C ATOM 2239 OG SER A 454 7.808 1.750 -0.185 1.00 21.13 O ATOM 0 H SER A 454 6.017 3.623 0.408 1.00 33.35 H new ATOM 0 HA SER A 454 7.681 3.658 2.603 1.00 62.43 H new ATOM 0 HB2 SER A 454 8.597 1.505 1.699 1.00 44.43 H new ATOM 0 HB3 SER A 454 6.847 1.573 1.625 1.00 44.43 H new ATOM 0 HG SER A 454 6.914 1.864 -0.570 1.00 21.13 H new ATOM 2245 N SER A 455 9.287 4.621 -0.095 1.00 3.32 N ATOM 2246 CA SER A 455 10.497 5.293 -0.572 1.00 72.13 C ATOM 2247 C SER A 455 10.783 6.559 0.269 1.00 61.43 C ATOM 2248 O SER A 455 11.806 6.625 0.972 1.00 21.02 O ATOM 2249 CB SER A 455 10.367 5.641 -2.078 1.00 2.51 C ATOM 2250 OG SER A 455 11.588 6.137 -2.603 1.00 70.23 O ATOM 0 H SER A 455 8.535 4.589 -0.784 1.00 3.32 H new ATOM 0 HA SER A 455 11.341 4.614 -0.454 1.00 72.13 H new ATOM 0 HB2 SER A 455 10.065 4.753 -2.633 1.00 2.51 H new ATOM 0 HB3 SER A 455 9.582 6.385 -2.214 1.00 2.51 H new ATOM 0 HG SER A 455 11.475 6.346 -3.554 1.00 70.23 H new ATOM 2256 N TYR A 456 9.856 7.550 0.247 1.00 13.12 N ATOM 2257 CA TYR A 456 10.076 8.821 0.976 1.00 14.42 C ATOM 2258 C TYR A 456 9.988 8.634 2.512 1.00 24.24 C ATOM 2259 O TYR A 456 10.516 9.455 3.259 1.00 3.02 O ATOM 2260 CB TYR A 456 9.177 9.996 0.464 1.00 44.15 C ATOM 2261 CG TYR A 456 7.633 9.863 0.551 1.00 41.51 C ATOM 2262 CD1 TYR A 456 6.967 9.669 1.768 1.00 15.23 C ATOM 2263 CD2 TYR A 456 6.832 10.014 -0.593 1.00 45.05 C ATOM 2264 CE1 TYR A 456 5.587 9.633 1.839 1.00 3.55 C ATOM 2265 CE2 TYR A 456 5.452 9.968 -0.521 1.00 24.04 C ATOM 2266 CZ TYR A 456 4.836 9.776 0.694 1.00 65.25 C ATOM 2267 OH TYR A 456 3.456 9.751 0.768 1.00 2.13 O ATOM 0 H TYR A 456 8.970 7.495 -0.255 1.00 13.12 H new ATOM 0 HA TYR A 456 11.099 9.120 0.750 1.00 14.42 H new ATOM 0 HB2 TYR A 456 9.461 10.891 1.018 1.00 44.15 H new ATOM 0 HB3 TYR A 456 9.432 10.173 -0.581 1.00 44.15 H new ATOM 0 HD1 TYR A 456 7.545 9.545 2.672 1.00 15.23 H new ATOM 0 HD2 TYR A 456 7.305 10.170 -1.551 1.00 45.05 H new ATOM 0 HE1 TYR A 456 5.098 9.493 2.792 1.00 3.55 H new ATOM 0 HE2 TYR A 456 4.859 10.083 -1.416 1.00 24.04 H new ATOM 0 HH TYR A 456 3.078 9.866 -0.129 1.00 2.13 H new ATOM 2277 N LEU A 457 9.327 7.541 2.955 1.00 51.32 N ATOM 2278 CA LEU A 457 9.187 7.189 4.381 1.00 12.10 C ATOM 2279 C LEU A 457 10.522 6.699 4.947 1.00 63.32 C ATOM 2280 O LEU A 457 10.880 7.069 6.059 1.00 71.33 O ATOM 2281 CB LEU A 457 8.104 6.091 4.608 1.00 34.41 C ATOM 2282 CG LEU A 457 6.622 6.509 4.395 1.00 11.44 C ATOM 2283 CD1 LEU A 457 5.664 5.321 4.643 1.00 13.03 C ATOM 2284 CD2 LEU A 457 6.262 7.714 5.270 1.00 22.20 C ATOM 0 H LEU A 457 8.874 6.876 2.328 1.00 51.32 H new ATOM 0 HA LEU A 457 8.873 8.094 4.901 1.00 12.10 H new ATOM 0 HB2 LEU A 457 8.321 5.258 3.940 1.00 34.41 H new ATOM 0 HB3 LEU A 457 8.208 5.718 5.627 1.00 34.41 H new ATOM 0 HG LEU A 457 6.504 6.810 3.354 1.00 11.44 H new ATOM 0 HD11 LEU A 457 4.635 5.645 4.486 1.00 13.03 H new ATOM 0 HD12 LEU A 457 5.900 4.513 3.951 1.00 13.03 H new ATOM 0 HD13 LEU A 457 5.781 4.967 5.667 1.00 13.03 H new ATOM 0 HD21 LEU A 457 5.220 7.987 5.103 1.00 22.20 H new ATOM 0 HD22 LEU A 457 6.406 7.457 6.320 1.00 22.20 H new ATOM 0 HD23 LEU A 457 6.904 8.556 5.011 1.00 22.20 H new ATOM 2296 N THR A 458 11.238 5.843 4.183 1.00 20.15 N ATOM 2297 CA THR A 458 12.521 5.278 4.638 1.00 11.14 C ATOM 2298 C THR A 458 13.622 6.351 4.624 1.00 62.33 C ATOM 2299 O THR A 458 14.504 6.342 5.484 1.00 54.24 O ATOM 2300 CB THR A 458 12.947 4.002 3.822 1.00 52.10 C ATOM 2301 OG1 THR A 458 13.993 3.312 4.524 1.00 44.20 O ATOM 2302 CG2 THR A 458 13.420 4.301 2.388 1.00 54.42 C ATOM 0 H THR A 458 10.949 5.532 3.256 1.00 20.15 H new ATOM 0 HA THR A 458 12.378 4.946 5.666 1.00 11.14 H new ATOM 0 HB THR A 458 12.051 3.387 3.733 1.00 52.10 H new ATOM 0 HG1 THR A 458 14.258 2.516 4.017 1.00 44.20 H new ATOM 0 HG21 THR A 458 13.695 3.369 1.894 1.00 54.42 H new ATOM 0 HG22 THR A 458 12.615 4.782 1.832 1.00 54.42 H new ATOM 0 HG23 THR A 458 14.285 4.963 2.421 1.00 54.42 H new ATOM 2310 N GLN A 459 13.537 7.292 3.652 1.00 74.43 N ATOM 2311 CA GLN A 459 14.415 8.480 3.614 1.00 42.31 C ATOM 2312 C GLN A 459 14.183 9.354 4.871 1.00 51.03 C ATOM 2313 O GLN A 459 15.134 9.714 5.586 1.00 65.41 O ATOM 2314 CB GLN A 459 14.150 9.317 2.333 1.00 61.21 C ATOM 2315 CG GLN A 459 14.409 8.582 1.003 1.00 64.01 C ATOM 2316 CD GLN A 459 14.061 9.403 -0.249 1.00 50.25 C ATOM 2317 OE1 GLN A 459 13.057 10.277 -0.156 1.00 31.42 O flip ATOM 2318 NE2 GLN A 459 14.681 9.241 -1.308 1.00 64.13 N flip ATOM 0 H GLN A 459 12.867 7.248 2.884 1.00 74.43 H new ATOM 0 HA GLN A 459 15.451 8.141 3.600 1.00 42.31 H new ATOM 0 HB2 GLN A 459 13.114 9.655 2.347 1.00 61.21 H new ATOM 0 HB3 GLN A 459 14.776 10.208 2.365 1.00 61.21 H new ATOM 0 HG2 GLN A 459 15.460 8.298 0.957 1.00 64.01 H new ATOM 0 HG3 GLN A 459 13.829 7.659 0.992 1.00 64.01 H new ATOM 0 HE21 GLN A 459 15.445 8.567 -1.354 1.00 64.13 H new ATOM 0 HE22 GLN A 459 14.428 9.782 -2.135 1.00 64.13 H new ATOM 2327 N GLN A 460 12.891 9.649 5.136 1.00 31.34 N ATOM 2328 CA GLN A 460 12.463 10.507 6.256 1.00 3.25 C ATOM 2329 C GLN A 460 12.824 9.843 7.599 1.00 20.41 C ATOM 2330 O GLN A 460 13.212 10.530 8.532 1.00 21.41 O ATOM 2331 CB GLN A 460 10.927 10.804 6.156 1.00 52.21 C ATOM 2332 CG GLN A 460 10.435 12.077 6.900 1.00 41.32 C ATOM 2333 CD GLN A 460 10.397 11.971 8.433 1.00 71.44 C ATOM 2334 OE1 GLN A 460 10.644 13.080 9.116 1.00 1.54 O flip ATOM 2335 NE2 GLN A 460 10.158 10.904 8.997 1.00 75.05 N flip ATOM 0 H GLN A 460 12.115 9.296 4.575 1.00 31.34 H new ATOM 0 HA GLN A 460 12.990 11.460 6.200 1.00 3.25 H new ATOM 0 HB2 GLN A 460 10.662 10.896 5.103 1.00 52.21 H new ATOM 0 HB3 GLN A 460 10.383 9.944 6.548 1.00 52.21 H new ATOM 0 HG2 GLN A 460 11.082 12.910 6.626 1.00 41.32 H new ATOM 0 HG3 GLN A 460 9.434 12.321 6.545 1.00 41.32 H new ATOM 0 HE21 GLN A 460 9.971 10.066 8.446 1.00 75.05 H new ATOM 0 HE22 GLN A 460 10.146 10.857 10.016 1.00 75.05 H new ATOM 2344 N PHE A 461 12.713 8.505 7.652 1.00 23.33 N ATOM 2345 CA PHE A 461 13.038 7.706 8.844 1.00 3.31 C ATOM 2346 C PHE A 461 14.533 7.803 9.163 1.00 74.32 C ATOM 2347 O PHE A 461 14.908 7.994 10.324 1.00 52.00 O ATOM 2348 CB PHE A 461 12.642 6.219 8.633 1.00 64.43 C ATOM 2349 CG PHE A 461 12.996 5.295 9.797 1.00 61.32 C ATOM 2350 CD1 PHE A 461 12.509 5.545 11.081 1.00 31.33 C ATOM 2351 CD2 PHE A 461 13.832 4.191 9.616 1.00 22.35 C ATOM 2352 CE1 PHE A 461 12.840 4.720 12.137 1.00 43.14 C ATOM 2353 CE2 PHE A 461 14.155 3.367 10.675 1.00 34.50 C ATOM 2354 CZ PHE A 461 13.667 3.636 11.937 1.00 60.24 C ATOM 0 H PHE A 461 12.393 7.944 6.863 1.00 23.33 H new ATOM 0 HA PHE A 461 12.469 8.105 9.683 1.00 3.31 H new ATOM 0 HB2 PHE A 461 11.568 6.164 8.457 1.00 64.43 H new ATOM 0 HB3 PHE A 461 13.132 5.851 7.732 1.00 64.43 H new ATOM 0 HD1 PHE A 461 11.865 6.395 11.250 1.00 31.33 H new ATOM 0 HD2 PHE A 461 14.231 3.979 8.635 1.00 22.35 H new ATOM 0 HE1 PHE A 461 12.450 4.925 13.123 1.00 43.14 H new ATOM 0 HE2 PHE A 461 14.792 2.509 10.515 1.00 34.50 H new ATOM 0 HZ PHE A 461 13.933 2.998 12.767 1.00 60.24 H new ATOM 2364 N THR A 462 15.367 7.671 8.110 1.00 51.23 N ATOM 2365 CA THR A 462 16.826 7.739 8.233 1.00 53.32 C ATOM 2366 C THR A 462 17.247 9.107 8.803 1.00 20.00 C ATOM 2367 O THR A 462 18.138 9.176 9.640 1.00 2.13 O ATOM 2368 CB THR A 462 17.527 7.465 6.855 1.00 14.12 C ATOM 2369 OG1 THR A 462 17.082 6.201 6.330 1.00 54.40 O ATOM 2370 CG2 THR A 462 19.064 7.435 6.967 1.00 12.03 C ATOM 0 H THR A 462 15.042 7.515 7.156 1.00 51.23 H new ATOM 0 HA THR A 462 17.148 6.960 8.924 1.00 53.32 H new ATOM 0 HB THR A 462 17.253 8.285 6.191 1.00 14.12 H new ATOM 0 HG1 THR A 462 16.156 6.283 6.020 1.00 54.40 H new ATOM 0 HG21 THR A 462 19.497 7.242 5.985 1.00 12.03 H new ATOM 0 HG22 THR A 462 19.421 8.396 7.338 1.00 12.03 H new ATOM 0 HG23 THR A 462 19.363 6.646 7.657 1.00 12.03 H new ATOM 2378 N ALA A 463 16.549 10.181 8.375 1.00 34.33 N ATOM 2379 CA ALA A 463 16.807 11.551 8.863 1.00 2.03 C ATOM 2380 C ALA A 463 16.297 11.749 10.314 1.00 32.22 C ATOM 2381 O ALA A 463 17.056 12.179 11.187 1.00 12.25 O ATOM 2382 CB ALA A 463 16.171 12.580 7.916 1.00 55.21 C ATOM 0 H ALA A 463 15.798 10.123 7.688 1.00 34.33 H new ATOM 0 HA ALA A 463 17.886 11.704 8.876 1.00 2.03 H new ATOM 0 HB1 ALA A 463 16.368 13.586 8.286 1.00 55.21 H new ATOM 0 HB2 ALA A 463 16.598 12.470 6.919 1.00 55.21 H new ATOM 0 HB3 ALA A 463 15.095 12.415 7.869 1.00 55.21 H new ATOM 2388 N MET A 464 15.018 11.384 10.562 1.00 34.35 N ATOM 2389 CA MET A 464 14.329 11.602 11.865 1.00 22.12 C ATOM 2390 C MET A 464 15.062 10.866 13.000 1.00 12.34 C ATOM 2391 O MET A 464 15.161 11.370 14.129 1.00 14.44 O ATOM 2392 CB MET A 464 12.844 11.112 11.788 1.00 43.01 C ATOM 2393 CG MET A 464 12.075 11.168 13.129 1.00 61.45 C ATOM 2394 SD MET A 464 10.404 10.477 13.061 1.00 71.44 S ATOM 2395 CE MET A 464 9.484 11.752 12.202 1.00 3.04 C ATOM 0 H MET A 464 14.429 10.928 9.865 1.00 34.35 H new ATOM 0 HA MET A 464 14.340 12.671 12.077 1.00 22.12 H new ATOM 0 HB2 MET A 464 12.313 11.719 11.055 1.00 43.01 H new ATOM 0 HB3 MET A 464 12.833 10.086 11.421 1.00 43.01 H new ATOM 0 HG2 MET A 464 12.647 10.630 13.885 1.00 61.45 H new ATOM 0 HG3 MET A 464 12.013 12.206 13.455 1.00 61.45 H new ATOM 0 HE1 MET A 464 8.647 11.300 11.669 1.00 3.04 H new ATOM 0 HE2 MET A 464 9.106 12.477 12.923 1.00 3.04 H new ATOM 0 HE3 MET A 464 10.138 12.256 11.490 1.00 3.04 H new ATOM 2405 N ASN A 465 15.616 9.700 12.656 1.00 72.43 N ATOM 2406 CA ASN A 465 16.320 8.834 13.598 1.00 45.22 C ATOM 2407 C ASN A 465 17.806 9.278 13.682 1.00 20.41 C ATOM 2408 O ASN A 465 18.229 9.795 14.721 1.00 73.04 O ATOM 2409 CB ASN A 465 16.138 7.345 13.175 1.00 74.15 C ATOM 2410 CG ASN A 465 16.548 6.328 14.243 1.00 73.54 C ATOM 2411 OD1 ASN A 465 16.601 6.633 15.436 1.00 12.44 O ATOM 2412 ND2 ASN A 465 16.797 5.101 13.824 1.00 25.33 N ATOM 0 H ASN A 465 15.587 9.330 11.706 1.00 72.43 H new ATOM 0 HA ASN A 465 15.904 8.923 14.601 1.00 45.22 H new ATOM 0 HB2 ASN A 465 15.092 7.179 12.916 1.00 74.15 H new ATOM 0 HB3 ASN A 465 16.723 7.162 12.274 1.00 74.15 H new ATOM 0 HD21 ASN A 465 17.042 4.373 14.495 1.00 25.33 H new ATOM 0 HD22 ASN A 465 16.745 4.881 12.829 1.00 25.33 H new ATOM 2419 N LYS A 466 18.591 9.097 12.586 1.00 44.10 N ATOM 2420 CA LYS A 466 20.003 9.577 12.518 1.00 62.23 C ATOM 2421 C LYS A 466 20.251 10.491 11.279 1.00 13.24 C ATOM 2422 O LYS A 466 20.757 10.034 10.239 1.00 43.41 O ATOM 2423 CB LYS A 466 21.025 8.381 12.595 1.00 62.45 C ATOM 2424 CG LYS A 466 20.961 7.298 11.470 1.00 0.34 C ATOM 2425 CD LYS A 466 19.782 6.314 11.600 1.00 5.31 C ATOM 2426 CE LYS A 466 19.895 5.416 12.848 1.00 74.31 C ATOM 2427 NZ LYS A 466 21.112 4.556 12.824 1.00 3.44 N ATOM 0 H LYS A 466 18.274 8.624 11.740 1.00 44.10 H new ATOM 0 HA LYS A 466 20.176 10.198 13.397 1.00 62.23 H new ATOM 0 HB2 LYS A 466 22.031 8.800 12.601 1.00 62.45 H new ATOM 0 HB3 LYS A 466 20.883 7.879 13.552 1.00 62.45 H new ATOM 0 HG2 LYS A 466 20.896 7.799 10.504 1.00 0.34 H new ATOM 0 HG3 LYS A 466 21.893 6.732 11.474 1.00 0.34 H new ATOM 0 HD2 LYS A 466 18.848 6.875 11.644 1.00 5.31 H new ATOM 0 HD3 LYS A 466 19.736 5.688 10.709 1.00 5.31 H new ATOM 0 HE2 LYS A 466 19.913 6.041 13.741 1.00 74.31 H new ATOM 0 HE3 LYS A 466 19.009 4.785 12.919 1.00 74.31 H new ATOM 0 HZ1 LYS A 466 21.057 3.856 13.591 1.00 3.44 H new ATOM 0 HZ2 LYS A 466 21.171 4.064 11.910 1.00 3.44 H new ATOM 0 HZ3 LYS A 466 21.958 5.147 12.955 1.00 3.44 H new ATOM 2441 N SER A 467 19.820 11.768 11.360 1.00 32.04 N ATOM 2442 CA SER A 467 20.141 12.793 10.338 1.00 13.00 C ATOM 2443 C SER A 467 21.680 12.917 10.127 1.00 33.44 C ATOM 2444 O SER A 467 22.167 12.611 9.012 1.00 12.41 O ATOM 2445 CB SER A 467 19.514 14.151 10.728 1.00 51.31 C ATOM 2446 OG SER A 467 19.620 15.098 9.674 1.00 23.21 O ATOM 2447 OXT SER A 467 22.394 13.268 11.094 1.00 37.69 O ATOM 0 H SER A 467 19.245 12.117 12.127 1.00 32.04 H new ATOM 0 HA SER A 467 19.710 12.478 9.387 1.00 13.00 H new ATOM 0 HB2 SER A 467 18.464 14.007 10.985 1.00 51.31 H new ATOM 0 HB3 SER A 467 20.010 14.539 11.618 1.00 51.31 H new ATOM 0 HG SER A 467 19.213 15.945 9.953 1.00 23.21 H new TER 2453 SER A 467