USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: A 69 SER OG : rot -69:sc= 2.28 USER MOD Set 1.2: A 70 ASN : amide:sc= -1.38 K(o=0.56,f=-4!) USER MOD Set 1.3: B 501 MET CE :methyl -111:sc= -1.37 (180deg=-1.11) USER MOD Set 1.4: B 502 THR OG1 : rot -119:sc= 1.04 USER MOD Set 2.1: A 76 SER OG : rot 148:sc= 0.0541 USER MOD Set 2.2: A 80 CYS SG : rot -173:sc= 0.2 USER MOD Set 3.1: A 54 SER OG : rot 48:sc= 0.1 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -110:sc= -1.21 (180deg=-2.99!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-12!) USER MOD Set 5.1: A 22 LYS NZ :NH3+ 145:sc= 0.607 (180deg=0.0933) USER MOD Set 5.2: A 35 SER OG : rot 36:sc= 0.0261 USER MOD Single : A 8 SER OG : rot 25:sc= 0.188 USER MOD Single : A 9 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.38) USER MOD Single : A 10 MET CE :methyl 168:sc= 0 (180deg=-0.0404) USER MOD Single : A 12 THR OG1 : rot 61:sc= -0.631 USER MOD Single : A 16 ASN : amide:sc= 0.567 K(o=0.57,f=-6.8!) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0689 F(o=-1.2,f=-0.069) USER MOD Single : A 19 ASN : amide:sc= -1.72! C(o=-1.7!,f=-15!) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.519 (180deg=-0.971!) USER MOD Single : A 25 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.36) USER MOD Single : A 31 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.7!) USER MOD Single : A 38 MET CE :methyl 163:sc= -10.9! (180deg=-13.6!) USER MOD Single : A 41 THR OG1 : rot -62:sc= 1.32 USER MOD Single : A 48 TYR OH : rot 42:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot -91:sc= -1.83! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 76:sc= -1.57! USER MOD Single : A 61 CYS SG : rot 180:sc= 0.677 USER MOD Single : A 65 TYR OH : rot -99:sc= 0.494 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 60:sc= -3.46! USER MOD Single : A 81 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.33) USER MOD Single : A 82 THR OG1 : rot -26:sc= 1.09 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0146 F(o=-2.7!,f=-0.015) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.237 (180deg=-2.23!) USER MOD Single : A 91 CYS SG : rot 64:sc= -5.68! USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 173:sc= -6.61! (180deg=-6.78!) USER MOD Single : A 102 GLN : amide:sc= -7.44! C(o=-7.4!,f=-11!) USER MOD Single : A 105 MET CE :methyl -116:sc= -5.75! (180deg=-10.4!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.151 F(o=-3!,f=-0.15) USER MOD Single : A 107 ASN : amide:sc= 1.21 K(o=1.2,f=-0.068) USER MOD Single : A 108 ASN :FLIP amide:sc= -2.03! C(o=-3.1!,f=-2!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -2.4! X(o=-2.4!,f=-2.8) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.2!) USER MOD Single : B 503 LYS NZ :NH3+ -115:sc= -0.129 (180deg=-0.485) USER MOD Single : B 509 ASN : amide:sc= -0.692 K(o=-0.69,f=-11!) USER MOD Single : B 511 GLN : amide:sc= -4.45! C(o=-4.4!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 13.686 17.738 -2.314 1.00 0.00 N ATOM 2 CA SER A 8 13.289 16.385 -2.747 1.00 0.00 C ATOM 3 C SER A 8 11.945 16.002 -2.139 1.00 0.00 C ATOM 4 O SER A 8 11.871 15.596 -0.977 1.00 0.00 O ATOM 5 CB SER A 8 14.366 15.385 -2.338 1.00 0.00 C ATOM 6 OG SER A 8 15.639 15.812 -2.795 1.00 0.00 O ATOM 0 HA SER A 8 13.184 16.373 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.379 15.279 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.135 14.403 -2.751 1.00 0.00 H new ATOM 0 HG SER A 8 15.635 16.785 -2.913 1.00 0.00 H new ATOM 14 N HIS A 9 10.883 16.146 -2.927 1.00 0.00 N ATOM 15 CA HIS A 9 9.534 15.828 -2.475 1.00 0.00 C ATOM 16 C HIS A 9 8.576 15.754 -3.658 1.00 0.00 C ATOM 17 O HIS A 9 7.766 16.650 -3.877 1.00 0.00 O ATOM 18 CB HIS A 9 9.044 16.828 -1.418 1.00 0.00 C ATOM 19 CG HIS A 9 8.955 18.266 -1.850 1.00 0.00 C ATOM 20 ND1 HIS A 9 7.962 19.109 -1.411 1.00 0.00 N ATOM 21 CD2 HIS A 9 9.744 19.012 -2.656 1.00 0.00 C ATOM 22 CE1 HIS A 9 8.140 20.306 -1.930 1.00 0.00 C ATOM 23 NE2 HIS A 9 9.216 20.277 -2.690 1.00 0.00 N ATOM 0 H HIS A 9 10.933 16.483 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 9 9.561 14.847 -2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.058 16.511 -1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.711 16.770 -0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.627 18.674 -3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.510 21.167 -1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.594 21.065 -3.216 1.00 0.00 H new ATOM 32 N MET A 10 8.702 14.681 -4.431 1.00 0.00 N ATOM 33 CA MET A 10 7.824 14.433 -5.575 1.00 0.00 C ATOM 34 C MET A 10 6.363 14.596 -5.182 1.00 0.00 C ATOM 35 O MET A 10 5.593 15.268 -5.874 1.00 0.00 O ATOM 36 CB MET A 10 8.058 13.027 -6.129 1.00 0.00 C ATOM 37 CG MET A 10 7.104 12.651 -7.250 1.00 0.00 C ATOM 38 SD MET A 10 7.311 10.945 -7.790 1.00 0.00 S ATOM 39 CE MET A 10 5.957 10.802 -8.955 1.00 0.00 C ATOM 0 H MET A 10 9.410 13.961 -4.286 1.00 0.00 H new ATOM 0 HA MET A 10 8.060 15.165 -6.347 1.00 0.00 H new ATOM 0 HB2 MET A 10 9.082 12.955 -6.495 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.957 12.304 -5.319 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.078 12.800 -6.915 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.263 13.318 -8.097 1.00 0.00 H new ATOM 0 HE1 MET A 10 6.070 9.885 -9.533 1.00 0.00 H new ATOM 0 HE2 MET A 10 5.012 10.775 -8.413 1.00 0.00 H new ATOM 0 HE3 MET A 10 5.964 11.659 -9.628 1.00 0.00 H new ATOM 49 N ASP A 11 5.992 13.975 -4.068 1.00 0.00 N ATOM 50 CA ASP A 11 4.655 14.130 -3.512 1.00 0.00 C ATOM 51 C ASP A 11 4.612 13.573 -2.098 1.00 0.00 C ATOM 52 O ASP A 11 3.775 12.732 -1.764 1.00 0.00 O ATOM 53 CB ASP A 11 3.613 13.444 -4.389 1.00 0.00 C ATOM 54 CG ASP A 11 2.205 13.932 -4.105 1.00 0.00 C ATOM 55 OD1 ASP A 11 2.053 14.964 -3.409 1.00 0.00 O ATOM 56 OD2 ASP A 11 1.244 13.316 -4.619 1.00 0.00 O ATOM 0 H ASP A 11 6.601 13.358 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 11 4.417 15.193 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.851 13.621 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.660 12.367 -4.229 1.00 0.00 H new ATOM 61 N THR A 12 5.536 14.040 -1.267 1.00 0.00 N ATOM 62 CA THR A 12 5.536 13.690 0.143 1.00 0.00 C ATOM 63 C THR A 12 4.625 14.662 0.878 1.00 0.00 C ATOM 64 O THR A 12 5.053 15.413 1.759 1.00 0.00 O ATOM 65 CB THR A 12 6.957 13.735 0.741 1.00 0.00 C ATOM 66 OG1 THR A 12 7.544 15.026 0.535 1.00 0.00 O ATOM 67 CG2 THR A 12 7.838 12.672 0.120 1.00 0.00 C ATOM 0 H THR A 12 6.294 14.662 -1.548 1.00 0.00 H new ATOM 0 HA THR A 12 5.173 12.668 0.255 1.00 0.00 H new ATOM 0 HB THR A 12 6.877 13.542 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.999 15.708 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.835 12.724 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.409 11.688 0.309 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.905 12.838 -0.955 1.00 0.00 H new ATOM 75 N VAL A 13 3.368 14.651 0.470 1.00 0.00 N ATOM 76 CA VAL A 13 2.397 15.640 0.894 1.00 0.00 C ATOM 77 C VAL A 13 2.141 15.572 2.404 1.00 0.00 C ATOM 78 O VAL A 13 2.273 14.517 3.029 1.00 0.00 O ATOM 79 CB VAL A 13 1.094 15.475 0.077 1.00 0.00 C ATOM 80 CG1 VAL A 13 -0.058 15.009 0.935 1.00 0.00 C ATOM 81 CG2 VAL A 13 0.737 16.762 -0.647 1.00 0.00 C ATOM 0 H VAL A 13 2.992 13.950 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 13 2.801 16.633 0.698 1.00 0.00 H new ATOM 0 HB VAL A 13 1.281 14.701 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.952 14.907 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.187 14.045 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.242 15.738 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.183 16.618 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.594 17.561 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.544 17.032 -1.328 1.00 0.00 H new ATOM 91 N PRO A 14 1.804 16.730 2.991 1.00 0.00 N ATOM 92 CA PRO A 14 1.616 16.908 4.443 1.00 0.00 C ATOM 93 C PRO A 14 0.429 16.136 5.044 1.00 0.00 C ATOM 94 O PRO A 14 -0.482 16.744 5.605 1.00 0.00 O ATOM 95 CB PRO A 14 1.365 18.415 4.605 1.00 0.00 C ATOM 96 CG PRO A 14 1.668 19.047 3.287 1.00 0.00 C ATOM 97 CD PRO A 14 1.617 17.980 2.251 1.00 0.00 C ATOM 0 HA PRO A 14 2.488 16.521 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.332 18.606 4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.999 18.831 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.945 19.832 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.652 19.516 3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.664 17.988 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.398 18.117 1.503 1.00 0.00 H new ATOM 105 N ASP A 15 0.451 14.811 4.925 1.00 0.00 N ATOM 106 CA ASP A 15 -0.503 13.925 5.616 1.00 0.00 C ATOM 107 C ASP A 15 -1.955 14.336 5.377 1.00 0.00 C ATOM 108 O ASP A 15 -2.761 14.378 6.306 1.00 0.00 O ATOM 109 CB ASP A 15 -0.222 13.895 7.121 1.00 0.00 C ATOM 110 CG ASP A 15 1.185 13.442 7.442 1.00 0.00 C ATOM 111 OD1 ASP A 15 1.486 12.244 7.281 1.00 0.00 O ATOM 112 OD2 ASP A 15 2.002 14.288 7.864 1.00 0.00 O ATOM 0 H ASP A 15 1.129 14.313 4.348 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.363 12.929 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.383 14.890 7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.934 13.228 7.606 1.00 0.00 H new ATOM 117 N ASN A 16 -2.280 14.612 4.128 1.00 0.00 N ATOM 118 CA ASN A 16 -3.615 15.053 3.744 1.00 0.00 C ATOM 119 C ASN A 16 -3.639 15.197 2.229 1.00 0.00 C ATOM 120 O ASN A 16 -2.815 14.585 1.566 1.00 0.00 O ATOM 121 CB ASN A 16 -3.958 16.371 4.434 1.00 0.00 C ATOM 122 CG ASN A 16 -5.455 16.591 4.593 1.00 0.00 C ATOM 123 OD1 ASN A 16 -6.252 16.173 3.755 1.00 0.00 O ATOM 124 ND2 ASN A 16 -5.848 17.222 5.687 1.00 0.00 N ATOM 0 H ASN A 16 -1.628 14.538 3.347 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.365 14.326 4.055 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.487 16.393 5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.535 17.195 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.842 17.376 5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.157 17.555 6.360 1.00 0.00 H new ATOM 131 N HIS A 17 -4.575 15.971 1.689 1.00 0.00 N ATOM 132 CA HIS A 17 -4.587 16.342 0.264 1.00 0.00 C ATOM 133 C HIS A 17 -4.596 15.124 -0.661 1.00 0.00 C ATOM 134 O HIS A 17 -5.653 14.649 -1.075 1.00 0.00 O ATOM 135 CB HIS A 17 -3.396 17.234 -0.084 1.00 0.00 C ATOM 136 CG HIS A 17 -3.040 18.230 0.970 1.00 0.00 C ATOM 137 ND1 HIS A 17 -1.956 18.308 1.778 1.00 0.00 N flip ATOM 138 CD2 HIS A 17 -3.853 19.279 1.324 1.00 0.00 C flip ATOM 139 CE1 HIS A 17 -2.137 19.392 2.595 1.00 0.00 C flip ATOM 140 NE2 HIS A 17 -3.290 19.958 2.299 1.00 0.00 N flip ATOM 0 H HIS A 17 -5.351 16.363 2.222 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.514 16.893 0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.529 16.602 -0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.615 17.766 -1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.806 19.510 0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.449 19.728 3.356 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.680 20.785 2.751 1.00 0.00 H new ATOM 149 N ARG A 18 -3.407 14.621 -0.971 1.00 0.00 N ATOM 150 CA ARG A 18 -3.244 13.506 -1.886 1.00 0.00 C ATOM 151 C ARG A 18 -2.913 12.226 -1.135 1.00 0.00 C ATOM 152 O ARG A 18 -3.526 11.201 -1.349 1.00 0.00 O ATOM 153 CB ARG A 18 -2.131 13.801 -2.886 1.00 0.00 C ATOM 154 CG ARG A 18 -2.057 12.782 -4.005 1.00 0.00 C ATOM 155 CD ARG A 18 -3.240 12.896 -4.942 1.00 0.00 C ATOM 156 NE ARG A 18 -3.234 14.160 -5.677 1.00 0.00 N ATOM 157 CZ ARG A 18 -4.137 14.502 -6.594 1.00 0.00 C ATOM 158 NH1 ARG A 18 -5.091 13.650 -6.951 1.00 0.00 N ATOM 159 NH2 ARG A 18 -4.066 15.694 -7.170 1.00 0.00 N ATOM 0 H ARG A 18 -2.530 14.978 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.187 13.371 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.287 14.792 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.176 13.827 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.133 12.923 -4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.023 11.778 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.225 12.066 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.165 12.813 -4.371 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.488 14.825 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.136 12.726 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.779 13.920 -7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.323 16.343 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.754 15.962 -7.873 1.00 0.00 H new ATOM 173 N ASN A 19 -1.959 12.289 -0.235 1.00 0.00 N ATOM 174 CA ASN A 19 -1.404 11.070 0.332 1.00 0.00 C ATOM 175 C ASN A 19 -2.388 10.392 1.284 1.00 0.00 C ATOM 176 O ASN A 19 -2.431 9.165 1.372 1.00 0.00 O ATOM 177 CB ASN A 19 -0.080 11.378 1.038 1.00 0.00 C ATOM 178 CG ASN A 19 -0.254 11.648 2.519 1.00 0.00 C ATOM 179 OD1 ASN A 19 -0.569 12.762 2.921 1.00 0.00 O ATOM 180 ND2 ASN A 19 -0.029 10.635 3.337 1.00 0.00 N ATOM 0 H ASN A 19 -1.552 13.155 0.120 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.215 10.371 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.602 10.538 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.385 12.244 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.116 10.765 4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.231 9.723 2.960 1.00 0.00 H new ATOM 187 N LYS A 20 -3.174 11.184 1.996 1.00 0.00 N ATOM 188 CA LYS A 20 -4.189 10.637 2.879 1.00 0.00 C ATOM 189 C LYS A 20 -5.442 10.327 2.063 1.00 0.00 C ATOM 190 O LYS A 20 -6.178 11.239 1.678 1.00 0.00 O ATOM 191 CB LYS A 20 -4.511 11.663 3.973 1.00 0.00 C ATOM 192 CG LYS A 20 -5.514 11.179 5.006 1.00 0.00 C ATOM 193 CD LYS A 20 -4.907 10.182 5.965 1.00 0.00 C ATOM 194 CE LYS A 20 -4.421 10.808 7.254 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.366 11.828 7.040 1.00 0.00 N ATOM 0 H LYS A 20 -3.128 12.203 1.979 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.828 9.720 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.587 11.937 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.897 12.568 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.897 12.032 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.364 10.722 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.647 9.416 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.072 9.680 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.264 11.268 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.036 10.026 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.851 11.987 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.703 11.494 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.803 12.719 6.729 1.00 0.00 H new ATOM 209 N PHE A 21 -5.683 9.051 1.794 1.00 0.00 N ATOM 210 CA PHE A 21 -6.874 8.645 1.052 1.00 0.00 C ATOM 211 C PHE A 21 -7.802 7.794 1.892 1.00 0.00 C ATOM 212 O PHE A 21 -7.424 6.733 2.361 1.00 0.00 O ATOM 213 CB PHE A 21 -6.487 7.866 -0.205 1.00 0.00 C ATOM 214 CG PHE A 21 -6.027 8.724 -1.343 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.499 10.019 -1.517 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.105 8.231 -2.240 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.046 10.791 -2.568 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.653 8.986 -3.270 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.114 10.268 -3.445 1.00 0.00 C ATOM 0 H PHE A 21 -5.075 8.282 2.075 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.399 9.559 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.694 7.162 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.344 7.277 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.224 10.424 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.735 7.223 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.417 11.796 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.927 8.578 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.749 10.867 -4.266 1.00 0.00 H new ATOM 229 N LYS A 22 -9.013 8.273 2.085 1.00 0.00 N ATOM 230 CA LYS A 22 -10.055 7.482 2.714 1.00 0.00 C ATOM 231 C LYS A 22 -10.405 6.275 1.850 1.00 0.00 C ATOM 232 O LYS A 22 -11.028 6.409 0.796 1.00 0.00 O ATOM 233 CB LYS A 22 -11.290 8.336 2.944 1.00 0.00 C ATOM 234 CG LYS A 22 -11.331 9.008 4.292 1.00 0.00 C ATOM 235 CD LYS A 22 -11.552 8.014 5.418 1.00 0.00 C ATOM 236 CE LYS A 22 -12.965 7.470 5.421 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.215 6.607 6.602 1.00 0.00 N ATOM 0 H LYS A 22 -9.303 9.213 1.814 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.687 7.124 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.340 9.099 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.176 7.711 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.396 9.542 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.129 9.751 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.846 7.190 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.347 8.496 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.674 8.298 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.138 6.899 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.198 6.728 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.054 5.612 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.568 6.875 7.371 1.00 0.00 H new ATOM 251 N VAL A 23 -9.974 5.107 2.288 1.00 0.00 N ATOM 252 CA VAL A 23 -10.292 3.872 1.605 1.00 0.00 C ATOM 253 C VAL A 23 -11.429 3.166 2.333 1.00 0.00 C ATOM 254 O VAL A 23 -12.019 3.707 3.264 1.00 0.00 O ATOM 255 CB VAL A 23 -9.052 2.946 1.534 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.898 3.659 0.857 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.638 2.489 2.918 1.00 0.00 C ATOM 0 H VAL A 23 -9.398 4.990 3.121 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.601 4.106 0.586 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.320 2.068 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.035 2.995 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.188 3.941 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.640 4.554 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.765 1.840 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.392 3.357 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.458 1.940 3.381 1.00 0.00 H new ATOM 267 N ILE A 24 -11.758 1.982 1.888 1.00 0.00 N ATOM 268 CA ILE A 24 -12.720 1.151 2.580 1.00 0.00 C ATOM 269 C ILE A 24 -12.140 -0.240 2.742 1.00 0.00 C ATOM 270 O ILE A 24 -12.052 -0.969 1.769 1.00 0.00 O ATOM 271 CB ILE A 24 -14.030 1.027 1.793 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.722 2.361 1.565 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.977 0.133 2.524 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.630 2.324 0.356 1.00 0.00 C ATOM 0 H ILE A 24 -11.372 1.564 1.041 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.930 1.614 3.544 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.762 0.616 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.304 2.624 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.972 3.141 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.906 0.048 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.530 -0.855 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.187 0.552 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.105 3.297 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.044 2.087 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.396 1.562 0.499 1.00 0.00 H new ATOM 286 N ASN A 25 -11.720 -0.627 3.936 1.00 0.00 N ATOM 287 CA ASN A 25 -11.143 -1.955 4.079 1.00 0.00 C ATOM 288 C ASN A 25 -12.216 -3.017 3.835 1.00 0.00 C ATOM 289 O ASN A 25 -13.183 -3.152 4.594 1.00 0.00 O ATOM 290 CB ASN A 25 -10.422 -2.155 5.426 1.00 0.00 C ATOM 291 CG ASN A 25 -11.266 -1.868 6.656 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.317 -0.735 7.136 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.906 -2.897 7.195 1.00 0.00 N ATOM 0 H ASN A 25 -11.763 -0.068 4.788 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.368 -2.064 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.066 -3.184 5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.543 -1.511 5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.466 -2.765 8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.839 -3.820 6.767 1.00 0.00 H new ATOM 300 N VAL A 26 -12.036 -3.747 2.742 1.00 0.00 N ATOM 301 CA VAL A 26 -13.050 -4.650 2.215 1.00 0.00 C ATOM 302 C VAL A 26 -12.439 -6.027 1.960 1.00 0.00 C ATOM 303 O VAL A 26 -11.384 -6.137 1.340 1.00 0.00 O ATOM 304 CB VAL A 26 -13.639 -4.074 0.910 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.406 -2.796 1.196 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.557 -3.790 -0.103 1.00 0.00 C ATOM 0 H VAL A 26 -11.177 -3.729 2.193 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.852 -4.753 2.946 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.315 -4.823 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.815 -2.402 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.220 -3.007 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.735 -2.060 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.005 -3.385 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.854 -3.066 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.029 -4.714 -0.340 1.00 0.00 H new ATOM 316 N ASP A 27 -13.086 -7.082 2.431 1.00 0.00 N ATOM 317 CA ASP A 27 -12.477 -8.401 2.348 1.00 0.00 C ATOM 318 C ASP A 27 -13.346 -9.405 1.618 1.00 0.00 C ATOM 319 O ASP A 27 -14.516 -9.581 1.948 1.00 0.00 O ATOM 320 CB ASP A 27 -12.137 -8.935 3.741 1.00 0.00 C ATOM 321 CG ASP A 27 -11.518 -10.319 3.694 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.451 -10.480 3.063 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.095 -11.257 4.291 1.00 0.00 O ATOM 0 H ASP A 27 -14.009 -7.055 2.864 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.561 -8.276 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.448 -8.248 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.043 -8.965 4.347 1.00 0.00 H new ATOM 328 N ASP A 28 -12.737 -10.036 0.608 1.00 0.00 N ATOM 329 CA ASP A 28 -13.303 -11.179 -0.131 1.00 0.00 C ATOM 330 C ASP A 28 -14.691 -10.901 -0.735 1.00 0.00 C ATOM 331 O ASP A 28 -15.301 -11.768 -1.354 1.00 0.00 O ATOM 332 CB ASP A 28 -13.357 -12.402 0.791 1.00 0.00 C ATOM 333 CG ASP A 28 -13.716 -13.678 0.061 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.893 -14.157 -0.752 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.821 -14.208 0.291 1.00 0.00 O ATOM 0 H ASP A 28 -11.814 -9.762 0.271 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.643 -11.367 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.389 -12.528 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.088 -12.223 1.580 1.00 0.00 H new ATOM 340 N ASP A 29 -15.167 -9.680 -0.606 1.00 0.00 N ATOM 341 CA ASP A 29 -16.475 -9.325 -1.131 1.00 0.00 C ATOM 342 C ASP A 29 -16.484 -7.884 -1.615 1.00 0.00 C ATOM 343 O ASP A 29 -17.413 -7.432 -2.278 1.00 0.00 O ATOM 344 CB ASP A 29 -17.548 -9.520 -0.057 1.00 0.00 C ATOM 345 CG ASP A 29 -18.932 -9.163 -0.556 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.443 -9.863 -1.455 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.501 -8.162 -0.079 1.00 0.00 O ATOM 0 H ASP A 29 -14.672 -8.917 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.694 -9.979 -1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.541 -10.558 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.307 -8.905 0.810 1.00 0.00 H new ATOM 352 N GLY A 30 -15.407 -7.175 -1.321 1.00 0.00 N ATOM 353 CA GLY A 30 -15.405 -5.736 -1.476 1.00 0.00 C ATOM 354 C GLY A 30 -16.357 -5.120 -0.480 1.00 0.00 C ATOM 355 O GLY A 30 -16.858 -4.015 -0.674 1.00 0.00 O ATOM 0 H GLY A 30 -14.532 -7.571 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.399 -5.345 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.700 -5.469 -2.491 1.00 0.00 H new ATOM 359 N ASN A 31 -16.597 -5.863 0.598 1.00 0.00 N ATOM 360 CA ASN A 31 -17.493 -5.430 1.656 1.00 0.00 C ATOM 361 C ASN A 31 -16.815 -4.419 2.525 1.00 0.00 C ATOM 362 O ASN A 31 -15.782 -4.721 3.103 1.00 0.00 O ATOM 363 CB ASN A 31 -17.910 -6.605 2.543 1.00 0.00 C ATOM 364 CG ASN A 31 -18.963 -6.210 3.568 1.00 0.00 C ATOM 365 OD1 ASN A 31 -18.642 -5.726 4.653 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.225 -6.435 3.247 1.00 0.00 N ATOM 0 H ASN A 31 -16.175 -6.778 0.758 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.373 -4.999 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.298 -7.409 1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.033 -6.997 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.968 -6.206 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.456 -6.838 2.339 1.00 0.00 H new ATOM 373 N GLU A 32 -17.351 -3.213 2.576 1.00 0.00 N ATOM 374 CA GLU A 32 -16.908 -2.239 3.548 1.00 0.00 C ATOM 375 C GLU A 32 -17.056 -2.800 4.978 1.00 0.00 C ATOM 376 O GLU A 32 -18.019 -2.457 5.668 1.00 0.00 O ATOM 377 CB GLU A 32 -17.763 -0.967 3.441 1.00 0.00 C ATOM 378 CG GLU A 32 -18.084 -0.552 2.013 1.00 0.00 C ATOM 379 CD GLU A 32 -19.207 0.457 1.918 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.083 1.560 2.489 1.00 0.00 O ATOM 381 OE2 GLU A 32 -20.221 0.145 1.266 1.00 0.00 O ATOM 0 H GLU A 32 -18.092 -2.888 1.955 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.861 -2.010 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.697 -1.123 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.241 -0.149 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.189 -0.132 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.352 -1.438 1.437 1.00 0.00 H new ATOM 388 N LEU A 33 -16.139 -3.676 5.416 1.00 0.00 N ATOM 389 CA LEU A 33 -16.156 -4.151 6.802 1.00 0.00 C ATOM 390 C LEU A 33 -16.108 -2.927 7.691 1.00 0.00 C ATOM 391 O LEU A 33 -16.887 -2.756 8.629 1.00 0.00 O ATOM 392 CB LEU A 33 -14.952 -5.047 7.134 1.00 0.00 C ATOM 393 CG LEU A 33 -14.862 -6.417 6.465 1.00 0.00 C ATOM 394 CD1 LEU A 33 -16.209 -7.076 6.366 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.270 -6.294 5.093 1.00 0.00 C ATOM 0 H LEU A 33 -15.391 -4.062 4.841 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.054 -4.749 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.047 -4.494 6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.941 -5.203 8.213 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.218 -7.038 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.104 -8.048 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.623 -7.209 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.878 -6.450 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.213 -7.280 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.897 -5.643 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.269 -5.869 5.165 1.00 0.00 H new ATOM 407 N GLY A 34 -15.164 -2.084 7.344 1.00 0.00 N ATOM 408 CA GLY A 34 -15.088 -0.743 7.845 1.00 0.00 C ATOM 409 C GLY A 34 -14.468 0.097 6.768 1.00 0.00 C ATOM 410 O GLY A 34 -13.807 -0.448 5.889 1.00 0.00 O ATOM 0 H GLY A 34 -14.416 -2.321 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.080 -0.371 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.489 -0.705 8.755 1.00 0.00 H new ATOM 414 N SER A 35 -14.685 1.385 6.760 1.00 0.00 N ATOM 415 CA SER A 35 -14.036 2.181 5.752 1.00 0.00 C ATOM 416 C SER A 35 -12.929 3.020 6.370 1.00 0.00 C ATOM 417 O SER A 35 -13.161 3.860 7.239 1.00 0.00 O ATOM 418 CB SER A 35 -15.050 2.999 4.960 1.00 0.00 C ATOM 419 OG SER A 35 -15.880 3.759 5.817 1.00 0.00 O ATOM 0 H SER A 35 -15.283 1.891 7.413 1.00 0.00 H new ATOM 0 HA SER A 35 -13.558 1.521 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.527 3.664 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.663 2.333 4.353 1.00 0.00 H new ATOM 0 HG SER A 35 -15.356 4.077 6.582 1.00 0.00 H new ATOM 425 N GLY A 36 -11.719 2.766 5.902 1.00 0.00 N ATOM 426 CA GLY A 36 -10.535 3.273 6.551 1.00 0.00 C ATOM 427 C GLY A 36 -9.910 4.437 5.814 1.00 0.00 C ATOM 428 O GLY A 36 -10.533 5.070 4.972 1.00 0.00 O ATOM 0 H GLY A 36 -11.536 2.207 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.788 3.585 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.803 2.470 6.638 1.00 0.00 H new ATOM 432 N ILE A 37 -8.687 4.735 6.180 1.00 0.00 N ATOM 433 CA ILE A 37 -7.816 5.585 5.401 1.00 0.00 C ATOM 434 C ILE A 37 -6.731 4.714 4.822 1.00 0.00 C ATOM 435 O ILE A 37 -6.522 3.618 5.283 1.00 0.00 O ATOM 436 CB ILE A 37 -7.109 6.649 6.275 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.084 7.680 6.838 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.035 7.366 5.473 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.419 8.792 5.867 1.00 0.00 C ATOM 0 H ILE A 37 -8.261 4.389 7.040 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.419 6.088 4.645 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.659 6.117 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.005 7.175 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.658 8.115 7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.548 8.111 6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.296 6.643 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.490 7.859 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.116 9.486 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.507 9.323 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.875 8.369 4.972 1.00 0.00 H new ATOM 451 N MET A 38 -6.044 5.206 3.843 1.00 0.00 N ATOM 452 CA MET A 38 -4.811 4.630 3.433 1.00 0.00 C ATOM 453 C MET A 38 -3.826 5.757 3.216 1.00 0.00 C ATOM 454 O MET A 38 -3.786 6.399 2.167 1.00 0.00 O ATOM 455 CB MET A 38 -4.991 3.765 2.217 1.00 0.00 C ATOM 456 CG MET A 38 -3.773 2.970 1.902 1.00 0.00 C ATOM 457 SD MET A 38 -3.369 1.831 3.217 1.00 0.00 S ATOM 458 CE MET A 38 -4.969 1.063 3.370 1.00 0.00 C ATOM 0 H MET A 38 -6.327 6.024 3.304 1.00 0.00 H new ATOM 0 HA MET A 38 -4.422 3.964 4.203 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.832 3.090 2.376 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.243 4.392 1.362 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.929 2.416 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.933 3.643 1.733 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.872 0.125 3.917 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.642 1.729 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.374 0.864 2.378 1.00 0.00 H new ATOM 468 N GLU A 39 -3.081 6.014 4.268 1.00 0.00 N ATOM 469 CA GLU A 39 -2.160 7.119 4.351 1.00 0.00 C ATOM 470 C GLU A 39 -0.887 6.765 3.604 1.00 0.00 C ATOM 471 O GLU A 39 -0.027 6.057 4.136 1.00 0.00 O ATOM 472 CB GLU A 39 -1.830 7.287 5.816 1.00 0.00 C ATOM 473 CG GLU A 39 -0.748 8.285 6.143 1.00 0.00 C ATOM 474 CD GLU A 39 -1.285 9.633 6.549 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.518 10.482 5.670 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.485 9.850 7.763 1.00 0.00 O ATOM 0 H GLU A 39 -3.102 5.442 5.112 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.586 8.026 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.739 7.582 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.533 6.317 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.130 7.890 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.100 8.406 5.275 1.00 0.00 H new ATOM 483 N LEU A 40 -0.766 7.215 2.378 1.00 0.00 N ATOM 484 CA LEU A 40 0.389 6.874 1.592 1.00 0.00 C ATOM 485 C LEU A 40 1.570 7.767 1.910 1.00 0.00 C ATOM 486 O LEU A 40 1.614 8.923 1.500 1.00 0.00 O ATOM 487 CB LEU A 40 0.059 6.958 0.121 1.00 0.00 C ATOM 488 CG LEU A 40 -0.259 5.630 -0.540 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.559 5.881 -1.982 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.920 4.677 -0.409 1.00 0.00 C ATOM 0 H LEU A 40 -1.447 7.812 1.909 1.00 0.00 H new ATOM 0 HA LEU A 40 0.669 5.851 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.794 7.624 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.901 7.414 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.120 5.172 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.790 4.937 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.414 6.552 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.308 6.337 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.676 3.729 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.795 5.113 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.134 4.506 0.646 1.00 0.00 H new ATOM 502 N THR A 41 2.523 7.231 2.645 1.00 0.00 N ATOM 503 CA THR A 41 3.734 7.964 2.932 1.00 0.00 C ATOM 504 C THR A 41 4.945 7.262 2.331 1.00 0.00 C ATOM 505 O THR A 41 4.793 6.393 1.474 1.00 0.00 O ATOM 506 CB THR A 41 3.945 8.154 4.429 1.00 0.00 C ATOM 507 OG1 THR A 41 4.149 6.891 5.080 1.00 0.00 O ATOM 508 CG2 THR A 41 2.764 8.871 5.057 1.00 0.00 C ATOM 0 H THR A 41 2.481 6.296 3.051 1.00 0.00 H new ATOM 0 HA THR A 41 3.623 8.949 2.478 1.00 0.00 H new ATOM 0 HB THR A 41 4.837 8.767 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.349 6.335 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.939 8.994 6.126 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.645 9.850 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.858 8.284 4.903 1.00 0.00 H new ATOM 516 N ASP A 42 6.135 7.638 2.797 1.00 0.00 N ATOM 517 CA ASP A 42 7.394 7.105 2.276 1.00 0.00 C ATOM 518 C ASP A 42 7.449 5.610 2.346 1.00 0.00 C ATOM 519 O ASP A 42 7.735 4.944 1.357 1.00 0.00 O ATOM 520 CB ASP A 42 8.581 7.649 3.063 1.00 0.00 C ATOM 521 CG ASP A 42 8.650 9.160 3.072 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.633 9.772 1.988 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.690 9.744 4.173 1.00 0.00 O ATOM 0 H ASP A 42 6.254 8.320 3.546 1.00 0.00 H new ATOM 0 HA ASP A 42 7.445 7.419 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.523 7.289 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.503 7.252 2.637 1.00 0.00 H new ATOM 528 N THR A 43 7.198 5.063 3.506 1.00 0.00 N ATOM 529 CA THR A 43 7.427 3.660 3.667 1.00 0.00 C ATOM 530 C THR A 43 6.270 2.952 4.322 1.00 0.00 C ATOM 531 O THR A 43 6.238 1.733 4.339 1.00 0.00 O ATOM 532 CB THR A 43 8.671 3.391 4.511 1.00 0.00 C ATOM 533 OG1 THR A 43 8.427 3.741 5.879 1.00 0.00 O ATOM 534 CG2 THR A 43 9.865 4.182 4.014 1.00 0.00 C ATOM 0 H THR A 43 6.846 5.553 4.328 1.00 0.00 H new ATOM 0 HA THR A 43 7.558 3.274 2.656 1.00 0.00 H new ATOM 0 HB THR A 43 8.894 2.327 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.231 3.563 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.731 3.965 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.082 3.903 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.641 5.248 4.062 1.00 0.00 H new ATOM 542 N GLU A 44 5.341 3.685 4.894 1.00 0.00 N ATOM 543 CA GLU A 44 4.227 3.037 5.538 1.00 0.00 C ATOM 544 C GLU A 44 2.900 3.548 5.043 1.00 0.00 C ATOM 545 O GLU A 44 2.636 4.750 4.980 1.00 0.00 O ATOM 546 CB GLU A 44 4.320 3.127 7.056 1.00 0.00 C ATOM 547 CG GLU A 44 5.031 1.934 7.665 1.00 0.00 C ATOM 548 CD GLU A 44 5.608 2.214 9.029 1.00 0.00 C ATOM 549 OE1 GLU A 44 4.865 2.109 10.022 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.815 2.530 9.115 1.00 0.00 O ATOM 0 H GLU A 44 5.334 4.704 4.926 1.00 0.00 H new ATOM 0 HA GLU A 44 4.285 1.984 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.848 4.040 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.316 3.201 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.331 1.102 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.833 1.618 6.997 1.00 0.00 H new ATOM 557 N LEU A 45 2.099 2.593 4.656 1.00 0.00 N ATOM 558 CA LEU A 45 0.739 2.805 4.264 1.00 0.00 C ATOM 559 C LEU A 45 -0.143 2.768 5.492 1.00 0.00 C ATOM 560 O LEU A 45 -0.599 1.711 5.918 1.00 0.00 O ATOM 561 CB LEU A 45 0.373 1.705 3.275 1.00 0.00 C ATOM 562 CG LEU A 45 0.584 2.034 1.822 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.005 0.800 1.061 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.690 2.552 1.248 1.00 0.00 C ATOM 0 H LEU A 45 2.388 1.616 4.604 1.00 0.00 H new ATOM 0 HA LEU A 45 0.601 3.777 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.958 0.817 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.676 1.446 3.421 1.00 0.00 H new ATOM 0 HG LEU A 45 1.368 2.787 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.154 1.053 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.936 0.416 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.229 0.039 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.543 2.792 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.467 1.793 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.993 3.450 1.786 1.00 0.00 H new ATOM 576 N ILE A 46 -0.361 3.932 6.071 1.00 0.00 N ATOM 577 CA ILE A 46 -1.060 4.015 7.333 1.00 0.00 C ATOM 578 C ILE A 46 -2.583 3.989 7.093 1.00 0.00 C ATOM 579 O ILE A 46 -3.210 5.014 6.848 1.00 0.00 O ATOM 580 CB ILE A 46 -0.640 5.277 8.146 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.877 5.344 8.317 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.303 5.241 9.479 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.519 3.997 8.452 1.00 0.00 C ATOM 0 H ILE A 46 -0.064 4.829 5.687 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.783 3.147 7.932 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.953 6.166 7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.310 5.861 7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.110 5.940 9.199 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.014 6.121 10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.385 5.233 9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.996 4.342 10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.596 4.117 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.113 3.486 9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.316 3.406 7.559 1.00 0.00 H new ATOM 595 N LEU A 47 -3.166 2.803 7.159 1.00 0.00 N ATOM 596 CA LEU A 47 -4.604 2.623 6.956 1.00 0.00 C ATOM 597 C LEU A 47 -5.360 3.041 8.221 1.00 0.00 C ATOM 598 O LEU A 47 -5.294 2.349 9.232 1.00 0.00 O ATOM 599 CB LEU A 47 -4.908 1.146 6.717 1.00 0.00 C ATOM 600 CG LEU A 47 -6.367 0.704 6.938 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.259 0.962 5.733 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.381 -0.759 7.252 1.00 0.00 C ATOM 0 H LEU A 47 -2.662 1.938 7.354 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.911 3.227 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.628 0.901 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.269 0.555 7.373 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.766 1.296 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.273 0.629 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.268 2.029 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.876 0.414 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.408 -1.087 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.948 -1.314 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.797 -0.943 8.154 1.00 0.00 H new ATOM 614 N TYR A 48 -6.087 4.144 8.194 1.00 0.00 N ATOM 615 CA TYR A 48 -6.838 4.536 9.388 1.00 0.00 C ATOM 616 C TYR A 48 -8.176 3.832 9.370 1.00 0.00 C ATOM 617 O TYR A 48 -9.108 4.313 8.746 1.00 0.00 O ATOM 618 CB TYR A 48 -7.087 6.045 9.470 1.00 0.00 C ATOM 619 CG TYR A 48 -5.857 6.853 9.699 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.816 6.687 8.857 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.737 7.769 10.734 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.672 7.379 8.992 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.570 8.493 10.895 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.530 8.293 10.011 1.00 0.00 C ATOM 625 OH TYR A 48 -2.353 9.002 10.143 1.00 0.00 O ATOM 0 H TYR A 48 -6.177 4.769 7.393 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.240 4.254 10.254 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.559 6.375 8.544 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.794 6.242 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.905 5.976 8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.560 7.917 11.418 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.861 7.217 8.298 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.474 9.205 11.701 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.043 9.289 9.259 1.00 0.00 H new ATOM 635 N THR A 49 -8.292 2.724 10.072 1.00 0.00 N ATOM 636 CA THR A 49 -9.510 1.927 10.006 1.00 0.00 C ATOM 637 C THR A 49 -10.676 2.613 10.710 1.00 0.00 C ATOM 638 O THR A 49 -10.589 3.781 11.094 1.00 0.00 O ATOM 639 CB THR A 49 -9.318 0.559 10.635 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.660 0.713 11.878 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.533 -0.353 9.724 1.00 0.00 C ATOM 0 H THR A 49 -7.570 2.354 10.690 1.00 0.00 H new ATOM 0 HA THR A 49 -9.738 1.817 8.946 1.00 0.00 H new ATOM 0 HB THR A 49 -10.293 0.098 10.793 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.691 0.657 11.744 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.411 -1.326 10.200 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.068 -0.475 8.782 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.552 0.082 9.531 1.00 0.00 H new ATOM 649 N ARG A 50 -11.764 1.884 10.887 1.00 0.00 N ATOM 650 CA ARG A 50 -12.893 2.406 11.627 1.00 0.00 C ATOM 651 C ARG A 50 -12.630 2.340 13.126 1.00 0.00 C ATOM 652 O ARG A 50 -12.425 3.363 13.775 1.00 0.00 O ATOM 653 CB ARG A 50 -14.144 1.627 11.275 1.00 0.00 C ATOM 654 CG ARG A 50 -15.224 2.483 10.643 1.00 0.00 C ATOM 655 CD ARG A 50 -15.836 3.455 11.639 1.00 0.00 C ATOM 656 NE ARG A 50 -14.998 4.633 11.853 1.00 0.00 N ATOM 657 CZ ARG A 50 -15.250 5.571 12.761 1.00 0.00 C ATOM 658 NH1 ARG A 50 -16.255 5.422 13.618 1.00 0.00 N ATOM 659 NH2 ARG A 50 -14.473 6.643 12.832 1.00 0.00 N ATOM 0 H ARG A 50 -11.887 0.936 10.530 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.038 3.451 11.353 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.881 0.821 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.540 1.162 12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.802 3.039 9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.005 1.840 10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.816 3.770 11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.993 2.946 12.590 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.168 4.742 11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.837 4.585 13.581 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.444 6.144 14.313 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.686 6.746 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.663 7.365 13.527 1.00 0.00 H new ATOM 673 N LYS A 51 -12.615 1.130 13.668 1.00 0.00 N ATOM 674 CA LYS A 51 -12.397 0.934 15.096 1.00 0.00 C ATOM 675 C LYS A 51 -11.103 0.172 15.378 1.00 0.00 C ATOM 676 O LYS A 51 -10.779 -0.126 16.527 1.00 0.00 O ATOM 677 CB LYS A 51 -13.592 0.218 15.686 1.00 0.00 C ATOM 678 CG LYS A 51 -14.877 1.007 15.528 1.00 0.00 C ATOM 679 CD LYS A 51 -14.981 2.108 16.562 1.00 0.00 C ATOM 680 CE LYS A 51 -14.527 3.436 16.009 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.766 4.548 16.960 1.00 0.00 N ATOM 0 H LYS A 51 -12.751 0.268 13.140 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.289 1.910 15.568 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.704 -0.753 15.204 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.413 0.030 16.745 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.919 1.440 14.528 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.731 0.336 15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.013 2.190 16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.376 1.850 17.431 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.464 3.385 15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.053 3.638 15.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.439 5.441 16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.783 4.615 17.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.244 4.369 17.841 1.00 0.00 H new ATOM 695 N ARG A 52 -10.372 -0.141 14.321 1.00 0.00 N ATOM 696 CA ARG A 52 -9.153 -0.937 14.422 1.00 0.00 C ATOM 697 C ARG A 52 -7.921 -0.034 14.591 1.00 0.00 C ATOM 698 O ARG A 52 -6.808 -0.518 14.809 1.00 0.00 O ATOM 699 CB ARG A 52 -9.046 -1.810 13.160 1.00 0.00 C ATOM 700 CG ARG A 52 -7.739 -2.571 13.000 1.00 0.00 C ATOM 701 CD ARG A 52 -7.617 -3.717 13.988 1.00 0.00 C ATOM 702 NE ARG A 52 -8.206 -4.950 13.463 1.00 0.00 N ATOM 703 CZ ARG A 52 -8.084 -6.140 14.046 1.00 0.00 C ATOM 704 NH1 ARG A 52 -7.479 -6.248 15.220 1.00 0.00 N ATOM 705 NH2 ARG A 52 -8.591 -7.219 13.465 1.00 0.00 N ATOM 0 H ARG A 52 -10.603 0.147 13.370 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.194 -1.577 15.304 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.866 -2.528 13.165 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.185 -1.174 12.286 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.670 -2.960 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.903 -1.886 13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.566 -3.886 14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.111 -3.447 14.921 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.743 -4.894 12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.105 -5.418 15.679 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.387 -7.162 15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.075 -7.137 12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.497 -8.131 13.912 1.00 0.00 H new ATOM 719 N ASP A 53 -8.149 1.285 14.513 1.00 0.00 N ATOM 720 CA ASP A 53 -7.093 2.289 14.597 1.00 0.00 C ATOM 721 C ASP A 53 -6.169 2.255 13.375 1.00 0.00 C ATOM 722 O ASP A 53 -6.261 1.365 12.532 1.00 0.00 O ATOM 723 CB ASP A 53 -6.350 2.119 15.924 1.00 0.00 C ATOM 724 CG ASP A 53 -4.903 2.578 15.932 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.656 3.799 15.840 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.005 1.716 16.056 1.00 0.00 O ATOM 0 H ASP A 53 -9.080 1.682 14.389 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.536 3.285 14.582 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.890 2.668 16.695 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.379 1.066 16.203 1.00 0.00 H new ATOM 731 N SER A 54 -5.339 3.277 13.262 1.00 0.00 N ATOM 732 CA SER A 54 -4.393 3.411 12.161 1.00 0.00 C ATOM 733 C SER A 54 -3.502 2.186 12.060 1.00 0.00 C ATOM 734 O SER A 54 -2.530 2.032 12.797 1.00 0.00 O ATOM 735 CB SER A 54 -3.542 4.667 12.316 1.00 0.00 C ATOM 736 OG SER A 54 -3.057 4.807 13.642 1.00 0.00 O ATOM 0 H SER A 54 -5.300 4.043 13.934 1.00 0.00 H new ATOM 0 HA SER A 54 -4.971 3.499 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.702 4.626 11.623 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.133 5.543 12.049 1.00 0.00 H new ATOM 0 HG SER A 54 -2.674 3.956 13.942 1.00 0.00 H new ATOM 742 N VAL A 55 -3.875 1.317 11.155 1.00 0.00 N ATOM 743 CA VAL A 55 -3.066 0.180 10.784 1.00 0.00 C ATOM 744 C VAL A 55 -1.984 0.676 9.851 1.00 0.00 C ATOM 745 O VAL A 55 -2.102 1.768 9.309 1.00 0.00 O ATOM 746 CB VAL A 55 -3.890 -0.878 10.059 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.160 -2.180 10.003 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.225 -1.089 10.716 1.00 0.00 C ATOM 0 H VAL A 55 -4.758 1.378 10.649 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.651 -0.274 11.684 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.053 -0.510 9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.770 -2.917 9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.218 -2.046 9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.959 -2.528 11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.783 -1.850 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.076 -1.416 11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.785 -0.154 10.710 1.00 0.00 H new ATOM 758 N LYS A 56 -0.930 -0.079 9.665 1.00 0.00 N ATOM 759 CA LYS A 56 0.163 0.412 8.828 1.00 0.00 C ATOM 760 C LYS A 56 0.645 -0.673 7.871 1.00 0.00 C ATOM 761 O LYS A 56 0.628 -1.859 8.212 1.00 0.00 O ATOM 762 CB LYS A 56 1.387 0.881 9.627 1.00 0.00 C ATOM 763 CG LYS A 56 1.177 1.401 11.048 1.00 0.00 C ATOM 764 CD LYS A 56 0.102 2.456 11.224 1.00 0.00 C ATOM 765 CE LYS A 56 0.728 3.763 11.666 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.217 4.635 12.412 1.00 0.00 N ATOM 0 H LYS A 56 -0.796 -1.009 10.063 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.257 1.264 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.087 0.047 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.874 1.670 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.934 0.554 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.121 1.811 11.405 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.436 2.599 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.628 2.124 11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.593 3.551 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.094 4.299 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.459 5.462 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.082 4.101 12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.228 4.952 13.297 1.00 0.00 H new ATOM 780 N TRP A 57 1.084 -0.271 6.681 1.00 0.00 N ATOM 781 CA TRP A 57 1.729 -1.196 5.760 1.00 0.00 C ATOM 782 C TRP A 57 3.049 -0.681 5.256 1.00 0.00 C ATOM 783 O TRP A 57 3.109 0.176 4.378 1.00 0.00 O ATOM 784 CB TRP A 57 0.824 -1.587 4.606 1.00 0.00 C ATOM 785 CG TRP A 57 -0.025 -2.729 5.020 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.273 -4.050 4.898 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.278 -2.655 5.681 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.736 -4.809 5.429 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.703 -3.971 5.917 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.087 -1.598 6.085 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.901 -4.255 6.547 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.273 -1.886 6.705 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.671 -3.199 6.931 1.00 0.00 C ATOM 0 H TRP A 57 1.004 0.685 6.335 1.00 0.00 H new ATOM 0 HA TRP A 57 1.931 -2.097 6.339 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.201 -0.742 4.314 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.421 -1.859 3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.173 -4.443 4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.763 -5.828 5.456 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.787 -0.575 5.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.213 -5.273 6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.913 -1.077 7.025 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.614 -3.386 7.423 1.00 0.00 H new ATOM 804 N HIS A 58 4.119 -1.214 5.816 1.00 0.00 N ATOM 805 CA HIS A 58 5.441 -0.830 5.388 1.00 0.00 C ATOM 806 C HIS A 58 5.719 -1.397 3.995 1.00 0.00 C ATOM 807 O HIS A 58 5.376 -2.535 3.682 1.00 0.00 O ATOM 808 CB HIS A 58 6.514 -1.279 6.385 1.00 0.00 C ATOM 809 CG HIS A 58 7.830 -0.621 6.121 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.777 -1.153 5.282 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.305 0.577 6.511 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.774 -0.295 5.142 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.514 0.763 5.889 1.00 0.00 N ATOM 0 H HIS A 58 4.094 -1.909 6.562 1.00 0.00 H new ATOM 0 HA HIS A 58 5.482 0.258 5.345 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.188 -1.046 7.399 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.631 -2.361 6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.823 1.265 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.649 -0.435 4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.113 1.583 5.987 1.00 0.00 H new ATOM 822 N TYR A 59 6.340 -0.566 3.175 1.00 0.00 N ATOM 823 CA TYR A 59 6.578 -0.834 1.761 1.00 0.00 C ATOM 824 C TYR A 59 7.407 -2.088 1.530 1.00 0.00 C ATOM 825 O TYR A 59 7.303 -2.727 0.487 1.00 0.00 O ATOM 826 CB TYR A 59 7.285 0.374 1.159 1.00 0.00 C ATOM 827 CG TYR A 59 6.356 1.463 0.721 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.244 1.772 1.468 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.578 2.156 -0.446 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.369 2.753 1.076 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.719 3.147 -0.853 1.00 0.00 C ATOM 832 CZ TYR A 59 4.617 3.447 -0.090 1.00 0.00 C ATOM 833 OH TYR A 59 3.771 4.442 -0.496 1.00 0.00 O ATOM 0 H TYR A 59 6.703 0.337 3.479 1.00 0.00 H new ATOM 0 HA TYR A 59 5.615 -1.007 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.982 0.778 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.876 0.048 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.055 1.231 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.440 1.917 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.497 2.979 1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.909 3.688 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 59 3.927 5.245 0.044 1.00 0.00 H new ATOM 843 N LEU A 60 8.209 -2.443 2.519 1.00 0.00 N ATOM 844 CA LEU A 60 9.047 -3.638 2.456 1.00 0.00 C ATOM 845 C LEU A 60 8.224 -4.875 2.750 1.00 0.00 C ATOM 846 O LEU A 60 8.753 -5.937 3.081 1.00 0.00 O ATOM 847 CB LEU A 60 10.209 -3.530 3.439 1.00 0.00 C ATOM 848 CG LEU A 60 11.545 -3.144 2.825 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.099 -4.277 1.978 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.386 -1.892 2.003 1.00 0.00 C ATOM 0 H LEU A 60 8.301 -1.916 3.387 1.00 0.00 H new ATOM 0 HA LEU A 60 9.453 -3.720 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.952 -2.794 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.324 -4.488 3.947 1.00 0.00 H new ATOM 0 HG LEU A 60 12.256 -2.951 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.055 -3.977 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.242 -5.160 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.398 -4.508 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.346 -1.620 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.662 -2.068 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.035 -1.081 2.640 1.00 0.00 H new ATOM 862 N CYS A 61 6.923 -4.723 2.672 1.00 0.00 N ATOM 863 CA CYS A 61 6.036 -5.822 2.924 1.00 0.00 C ATOM 864 C CYS A 61 5.016 -5.962 1.798 1.00 0.00 C ATOM 865 O CYS A 61 4.429 -7.026 1.620 1.00 0.00 O ATOM 866 CB CYS A 61 5.338 -5.619 4.270 1.00 0.00 C ATOM 867 SG CYS A 61 4.655 -7.125 4.993 1.00 0.00 S ATOM 0 H CYS A 61 6.460 -3.846 2.435 1.00 0.00 H new ATOM 0 HA CYS A 61 6.615 -6.745 2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.049 -5.184 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.533 -4.895 4.142 1.00 0.00 H new ATOM 0 HG CYS A 61 4.089 -6.843 6.129 1.00 0.00 H new ATOM 873 N LEU A 62 4.824 -4.891 1.032 1.00 0.00 N ATOM 874 CA LEU A 62 3.863 -4.878 -0.064 1.00 0.00 C ATOM 875 C LEU A 62 4.313 -5.768 -1.223 1.00 0.00 C ATOM 876 O LEU A 62 4.871 -5.273 -2.193 1.00 0.00 O ATOM 877 CB LEU A 62 3.701 -3.457 -0.609 1.00 0.00 C ATOM 878 CG LEU A 62 2.884 -2.441 0.207 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.803 -1.847 -0.667 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.248 -3.044 1.444 1.00 0.00 C ATOM 0 H LEU A 62 5.328 -4.013 1.154 1.00 0.00 H new ATOM 0 HA LEU A 62 2.922 -5.253 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.699 -3.042 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.244 -3.532 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 62 3.580 -1.673 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.223 -1.127 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.260 -1.345 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.146 -2.640 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.686 -2.276 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.574 -3.849 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.026 -3.441 2.096 1.00 0.00 H new ATOM 892 N ARG A 63 4.059 -7.069 -1.128 1.00 0.00 N ATOM 893 CA ARG A 63 4.349 -7.988 -2.225 1.00 0.00 C ATOM 894 C ARG A 63 3.668 -7.518 -3.497 1.00 0.00 C ATOM 895 O ARG A 63 4.332 -7.098 -4.438 1.00 0.00 O ATOM 896 CB ARG A 63 3.862 -9.405 -1.930 1.00 0.00 C ATOM 897 CG ARG A 63 4.662 -10.173 -0.899 1.00 0.00 C ATOM 898 CD ARG A 63 4.082 -11.566 -0.755 1.00 0.00 C ATOM 899 NE ARG A 63 4.863 -12.437 0.115 1.00 0.00 N ATOM 900 CZ ARG A 63 4.400 -13.596 0.578 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.181 -13.998 0.242 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.152 -14.360 1.356 1.00 0.00 N ATOM 0 H ARG A 63 3.653 -7.511 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 63 5.432 -8.001 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.827 -9.351 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.865 -9.972 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.708 -10.231 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.636 -9.654 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.068 -11.489 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.008 -12.023 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 63 5.804 -12.146 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.603 -13.420 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.821 -14.885 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.095 -14.062 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.788 -15.246 1.706 1.00 0.00 H new ATOM 916 N ARG A 64 2.339 -7.579 -3.517 1.00 0.00 N ATOM 917 CA ARG A 64 1.604 -7.194 -4.712 1.00 0.00 C ATOM 918 C ARG A 64 0.476 -6.221 -4.409 1.00 0.00 C ATOM 919 O ARG A 64 -0.466 -6.542 -3.712 1.00 0.00 O ATOM 920 CB ARG A 64 1.089 -8.427 -5.458 1.00 0.00 C ATOM 921 CG ARG A 64 0.127 -9.331 -4.725 1.00 0.00 C ATOM 922 CD ARG A 64 -0.289 -10.479 -5.637 1.00 0.00 C ATOM 923 NE ARG A 64 0.843 -11.046 -6.386 1.00 0.00 N ATOM 924 CZ ARG A 64 1.772 -11.868 -5.888 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.733 -12.251 -4.621 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.739 -12.312 -6.678 1.00 0.00 N ATOM 0 H ARG A 64 1.761 -7.885 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 64 2.303 -6.669 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.603 -8.088 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.951 -9.024 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.595 -9.722 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.751 -8.766 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.753 -11.263 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.044 -10.125 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 64 0.926 -10.790 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.987 -11.918 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.449 -12.879 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.770 -12.026 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.453 -12.940 -6.307 1.00 0.00 H new ATOM 940 N TYR A 65 0.559 -5.054 -5.014 1.00 0.00 N ATOM 941 CA TYR A 65 -0.325 -3.943 -4.705 1.00 0.00 C ATOM 942 C TYR A 65 -0.976 -3.425 -5.963 1.00 0.00 C ATOM 943 O TYR A 65 -0.349 -3.390 -7.015 1.00 0.00 O ATOM 944 CB TYR A 65 0.453 -2.839 -3.989 1.00 0.00 C ATOM 945 CG TYR A 65 1.737 -2.436 -4.678 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.837 -3.283 -4.700 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.857 -1.202 -5.290 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.006 -2.910 -5.323 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.014 -0.825 -5.904 1.00 0.00 C ATOM 950 CZ TYR A 65 4.091 -1.678 -5.929 1.00 0.00 C ATOM 951 OH TYR A 65 5.253 -1.299 -6.564 1.00 0.00 O ATOM 0 H TYR A 65 1.245 -4.846 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.115 -4.290 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.187 -1.961 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.686 -3.172 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.774 -4.249 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.017 -0.523 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.852 -3.581 -5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.084 0.146 -6.372 1.00 0.00 H new ATOM 0 HH TYR A 65 5.773 -0.714 -5.974 1.00 0.00 H new ATOM 961 N GLY A 66 -2.233 -3.034 -5.862 1.00 0.00 N ATOM 962 CA GLY A 66 -3.003 -2.804 -7.055 1.00 0.00 C ATOM 963 C GLY A 66 -4.038 -1.730 -6.945 1.00 0.00 C ATOM 964 O GLY A 66 -4.142 -1.017 -5.948 1.00 0.00 O ATOM 0 H GLY A 66 -2.728 -2.874 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.321 -2.548 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.496 -3.735 -7.336 1.00 0.00 H new ATOM 968 N TYR A 67 -4.849 -1.710 -7.975 1.00 0.00 N ATOM 969 CA TYR A 67 -5.882 -0.720 -8.191 1.00 0.00 C ATOM 970 C TYR A 67 -6.895 -1.295 -9.160 1.00 0.00 C ATOM 971 O TYR A 67 -6.535 -1.762 -10.241 1.00 0.00 O ATOM 972 CB TYR A 67 -5.300 0.560 -8.807 1.00 0.00 C ATOM 973 CG TYR A 67 -6.220 1.174 -9.845 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.464 1.650 -9.477 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.871 1.229 -11.188 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.341 2.163 -10.396 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.742 1.755 -12.125 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.980 2.218 -11.726 1.00 0.00 C ATOM 979 OH TYR A 67 -8.858 2.729 -12.657 1.00 0.00 O ATOM 0 H TYR A 67 -4.808 -2.410 -8.716 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.338 -0.473 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.112 1.287 -8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.338 0.333 -9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.753 1.617 -8.437 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.908 0.857 -11.505 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.309 2.522 -10.081 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.455 1.803 -13.165 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.447 2.696 -13.546 1.00 0.00 H new ATOM 989 N ASP A 68 -8.142 -1.277 -8.777 1.00 0.00 N ATOM 990 CA ASP A 68 -9.211 -1.465 -9.711 1.00 0.00 C ATOM 991 C ASP A 68 -10.350 -0.577 -9.277 1.00 0.00 C ATOM 992 O ASP A 68 -10.196 0.048 -8.249 1.00 0.00 O ATOM 993 CB ASP A 68 -9.583 -2.927 -9.825 1.00 0.00 C ATOM 994 CG ASP A 68 -10.518 -3.177 -11.003 1.00 0.00 C ATOM 995 OD1 ASP A 68 -10.006 -3.430 -12.113 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.758 -3.086 -10.852 1.00 0.00 O ATOM 0 H ASP A 68 -8.442 -1.132 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.914 -1.178 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.679 -3.525 -9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.063 -3.254 -8.903 1.00 0.00 H new ATOM 1001 N SER A 69 -11.395 -0.416 -10.095 1.00 0.00 N ATOM 1002 CA SER A 69 -12.559 0.403 -9.760 1.00 0.00 C ATOM 1003 C SER A 69 -12.741 0.613 -8.251 1.00 0.00 C ATOM 1004 O SER A 69 -13.270 -0.254 -7.552 1.00 0.00 O ATOM 1005 CB SER A 69 -13.819 -0.216 -10.369 1.00 0.00 C ATOM 1006 OG SER A 69 -13.797 -1.632 -10.270 1.00 0.00 O ATOM 0 H SER A 69 -11.455 -0.854 -11.014 1.00 0.00 H new ATOM 0 HA SER A 69 -12.385 1.391 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.701 0.173 -9.859 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.901 0.076 -11.416 1.00 0.00 H new ATOM 0 HG SER A 69 -13.103 -1.991 -10.862 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.258 1.773 -7.775 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.262 2.152 -6.353 1.00 0.00 C ATOM 1014 C ASN A 70 -11.849 1.009 -5.416 1.00 0.00 C ATOM 1015 O ASN A 70 -12.359 0.879 -4.317 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.601 2.740 -5.919 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.787 1.802 -6.061 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.133 1.061 -5.143 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.433 1.854 -7.206 1.00 0.00 N ATOM 0 H ASN A 70 -11.847 2.485 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.501 2.927 -6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.524 3.050 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.794 3.638 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.253 1.266 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.114 2.482 -7.943 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.899 0.211 -5.854 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.345 -0.868 -5.055 1.00 0.00 C ATOM 1028 C LEU A 71 -8.813 -0.805 -5.136 1.00 0.00 C ATOM 1029 O LEU A 71 -8.246 -1.070 -6.188 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.809 -2.225 -5.631 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.683 -3.130 -4.739 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.413 -4.613 -4.953 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.523 -2.819 -3.273 1.00 0.00 C ATOM 0 H LEU A 71 -10.484 0.291 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.680 -0.768 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.362 -2.026 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.920 -2.790 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.706 -2.912 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.058 -5.199 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.618 -4.874 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.370 -4.830 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.159 -3.484 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.483 -2.964 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.811 -1.784 -3.087 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.137 -0.469 -4.050 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.677 -0.499 -4.040 1.00 0.00 C ATOM 1047 C PHE A 72 -6.234 -1.650 -3.161 1.00 0.00 C ATOM 1048 O PHE A 72 -6.823 -1.894 -2.117 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.064 0.840 -3.567 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.041 0.730 -2.473 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.437 0.728 -1.155 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.680 0.641 -2.753 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.503 0.644 -0.156 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.762 0.561 -1.757 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.167 0.564 -0.469 1.00 0.00 C ATOM 0 H PHE A 72 -8.565 -0.175 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.317 -0.645 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.603 1.332 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.870 1.488 -3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.486 0.793 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.349 0.636 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.817 0.641 0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.710 0.495 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.435 0.503 0.322 1.00 0.00 H new ATOM 1065 N SER A 73 -5.222 -2.367 -3.579 1.00 0.00 N ATOM 1066 CA SER A 73 -4.830 -3.558 -2.862 1.00 0.00 C ATOM 1067 C SER A 73 -3.331 -3.607 -2.616 1.00 0.00 C ATOM 1068 O SER A 73 -2.576 -2.835 -3.200 1.00 0.00 O ATOM 1069 CB SER A 73 -5.281 -4.784 -3.642 1.00 0.00 C ATOM 1070 OG SER A 73 -4.786 -5.981 -3.077 1.00 0.00 O ATOM 0 H SER A 73 -4.659 -2.152 -4.402 1.00 0.00 H new ATOM 0 HA SER A 73 -5.313 -3.542 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.370 -4.818 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.941 -4.702 -4.674 1.00 0.00 H new ATOM 0 HG SER A 73 -5.110 -6.066 -2.156 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.928 -4.498 -1.719 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.533 -4.856 -1.531 1.00 0.00 C ATOM 1078 C PHE A 74 -1.437 -6.199 -0.800 1.00 0.00 C ATOM 1079 O PHE A 74 -2.204 -6.474 0.124 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.753 -3.757 -0.807 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.367 -3.231 0.452 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.646 -4.079 1.504 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.631 -1.874 0.598 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.183 -3.602 2.668 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.161 -1.395 1.775 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.438 -2.257 2.804 1.00 0.00 C ATOM 0 H PHE A 74 -3.567 -4.995 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.069 -4.961 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.239 -4.141 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.616 -2.923 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.437 -5.134 1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.420 -1.194 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.406 -4.280 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.359 -0.339 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.858 -1.879 3.725 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.551 -7.065 -1.264 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.293 -8.314 -0.580 1.00 0.00 C ATOM 1098 C GLU A 75 0.852 -8.128 0.374 1.00 0.00 C ATOM 1099 O GLU A 75 1.998 -8.100 -0.039 1.00 0.00 O ATOM 1100 CB GLU A 75 0.042 -9.457 -1.533 1.00 0.00 C ATOM 1101 CG GLU A 75 0.104 -10.801 -0.817 1.00 0.00 C ATOM 1102 CD GLU A 75 0.437 -11.967 -1.725 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.125 -12.054 -2.837 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.247 -12.824 -1.312 1.00 0.00 O ATOM 0 H GLU A 75 -0.001 -6.923 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.208 -8.585 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.708 -9.502 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.000 -9.258 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.851 -10.745 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.856 -10.990 -0.337 1.00 0.00 H new ATOM 1111 N SER A 76 0.555 -7.996 1.640 1.00 0.00 N ATOM 1112 CA SER A 76 1.602 -7.811 2.611 1.00 0.00 C ATOM 1113 C SER A 76 2.207 -9.175 2.955 1.00 0.00 C ATOM 1114 O SER A 76 1.491 -10.115 3.303 1.00 0.00 O ATOM 1115 CB SER A 76 1.034 -7.088 3.831 1.00 0.00 C ATOM 1116 OG SER A 76 -0.017 -7.833 4.433 1.00 0.00 O ATOM 0 H SER A 76 -0.391 -8.013 2.020 1.00 0.00 H new ATOM 0 HA SER A 76 2.404 -7.189 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.828 -6.922 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.663 -6.107 3.534 1.00 0.00 H new ATOM 0 HG SER A 76 -0.016 -7.677 5.400 1.00 0.00 H new ATOM 1122 N GLY A 77 3.527 -9.276 2.815 1.00 0.00 N ATOM 1123 CA GLY A 77 4.197 -10.563 2.891 1.00 0.00 C ATOM 1124 C GLY A 77 4.326 -11.096 4.299 1.00 0.00 C ATOM 1125 O GLY A 77 4.320 -12.306 4.514 1.00 0.00 O ATOM 0 H GLY A 77 4.147 -8.484 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.648 -11.285 2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.191 -10.472 2.453 1.00 0.00 H new ATOM 1129 N ARG A 78 4.465 -10.202 5.257 1.00 0.00 N ATOM 1130 CA ARG A 78 4.556 -10.598 6.650 1.00 0.00 C ATOM 1131 C ARG A 78 3.189 -10.471 7.292 1.00 0.00 C ATOM 1132 O ARG A 78 2.190 -10.262 6.598 1.00 0.00 O ATOM 1133 CB ARG A 78 5.568 -9.728 7.400 1.00 0.00 C ATOM 1134 CG ARG A 78 6.976 -9.807 6.841 1.00 0.00 C ATOM 1135 CD ARG A 78 7.907 -8.836 7.543 1.00 0.00 C ATOM 1136 NE ARG A 78 9.245 -8.836 6.956 1.00 0.00 N ATOM 1137 CZ ARG A 78 10.057 -7.781 6.962 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.697 -6.662 7.580 1.00 0.00 N ATOM 1139 NH2 ARG A 78 11.244 -7.850 6.378 1.00 0.00 N ATOM 0 H ARG A 78 4.518 -9.196 5.098 1.00 0.00 H new ATOM 0 HA ARG A 78 4.896 -11.632 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.233 -8.691 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.586 -10.028 8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.356 -10.822 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.958 -9.588 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.489 -7.831 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.975 -9.098 8.599 1.00 0.00 H new ATOM 0 HE ARG A 78 9.576 -9.694 6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.795 -6.608 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.323 -5.856 7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.538 -8.713 5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.863 -7.040 6.385 1.00 0.00 H new ATOM 1153 N ARG A 79 3.130 -10.589 8.602 1.00 0.00 N ATOM 1154 CA ARG A 79 1.889 -10.358 9.295 1.00 0.00 C ATOM 1155 C ARG A 79 1.666 -8.875 9.463 1.00 0.00 C ATOM 1156 O ARG A 79 2.601 -8.072 9.404 1.00 0.00 O ATOM 1157 CB ARG A 79 1.858 -11.037 10.658 1.00 0.00 C ATOM 1158 CG ARG A 79 1.747 -12.546 10.583 1.00 0.00 C ATOM 1159 CD ARG A 79 0.433 -12.973 9.950 1.00 0.00 C ATOM 1160 NE ARG A 79 -0.722 -12.409 10.652 1.00 0.00 N ATOM 1161 CZ ARG A 79 -1.949 -12.921 10.596 1.00 0.00 C ATOM 1162 NH1 ARG A 79 -2.188 -14.021 9.893 1.00 0.00 N ATOM 1163 NH2 ARG A 79 -2.940 -12.330 11.256 1.00 0.00 N ATOM 0 H ARG A 79 3.918 -10.840 9.198 1.00 0.00 H new ATOM 0 HA ARG A 79 1.091 -10.791 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.763 -10.775 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.016 -10.647 11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.579 -12.945 10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.825 -12.969 11.585 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.413 -12.657 8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.365 -14.061 9.955 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.577 -11.573 11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.428 -14.480 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.131 -14.407 9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.758 -11.488 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.882 -12.719 11.216 1.00 0.00 H new ATOM 1177 N CYS A 80 0.424 -8.531 9.663 1.00 0.00 N ATOM 1178 CA CYS A 80 0.014 -7.161 9.841 1.00 0.00 C ATOM 1179 C CYS A 80 -1.236 -7.154 10.693 1.00 0.00 C ATOM 1180 O CYS A 80 -1.926 -8.175 10.766 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.259 -6.491 8.491 1.00 0.00 C ATOM 1182 SG CYS A 80 1.190 -6.380 7.416 1.00 0.00 S ATOM 0 H CYS A 80 -0.344 -9.201 9.708 1.00 0.00 H new ATOM 0 HA CYS A 80 0.810 -6.599 10.329 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.041 -7.047 7.973 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.645 -5.487 8.667 1.00 0.00 H new ATOM 0 HG CYS A 80 0.896 -5.678 6.362 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.500 -6.028 11.336 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.686 -5.837 12.164 1.00 0.00 C ATOM 1190 C GLN A 81 -3.903 -6.535 11.590 1.00 0.00 C ATOM 1191 O GLN A 81 -4.509 -7.391 12.234 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.989 -4.359 12.260 1.00 0.00 C ATOM 1193 CG GLN A 81 -4.181 -4.066 13.121 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.921 -4.331 14.574 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -4.081 -5.450 15.064 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.569 -3.292 15.261 1.00 0.00 N ATOM 0 H GLN A 81 -0.892 -5.210 11.299 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.475 -6.266 13.144 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.119 -3.840 12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.163 -3.962 11.260 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.471 -3.023 12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.023 -4.674 12.789 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.452 -2.390 14.798 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.408 -3.375 16.265 1.00 0.00 H new ATOM 1205 N THR A 82 -4.247 -6.170 10.373 1.00 0.00 N ATOM 1206 CA THR A 82 -5.450 -6.667 9.757 1.00 0.00 C ATOM 1207 C THR A 82 -5.190 -7.083 8.302 1.00 0.00 C ATOM 1208 O THR A 82 -6.116 -7.208 7.507 1.00 0.00 O ATOM 1209 CB THR A 82 -6.577 -5.603 9.874 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.758 -6.001 9.165 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.106 -4.247 9.377 1.00 0.00 C ATOM 0 H THR A 82 -3.706 -5.529 9.793 1.00 0.00 H new ATOM 0 HA THR A 82 -5.780 -7.563 10.282 1.00 0.00 H new ATOM 0 HB THR A 82 -6.826 -5.521 10.932 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.514 -6.614 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.916 -3.524 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.254 -3.917 9.972 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.810 -4.326 8.331 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.916 -7.340 7.983 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.518 -7.623 6.604 1.00 0.00 C ATOM 1221 C GLY A 83 -4.064 -8.930 6.074 1.00 0.00 C ATOM 1222 O GLY A 83 -4.947 -8.932 5.219 1.00 0.00 O ATOM 0 H GLY A 83 -3.150 -7.357 8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.857 -6.810 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.430 -7.643 6.545 1.00 0.00 H new ATOM 1226 N GLN A 84 -3.519 -10.040 6.571 1.00 0.00 N ATOM 1227 CA GLN A 84 -3.958 -11.379 6.172 1.00 0.00 C ATOM 1228 C GLN A 84 -3.542 -11.677 4.729 1.00 0.00 C ATOM 1229 O GLN A 84 -4.245 -12.378 4.001 1.00 0.00 O ATOM 1230 CB GLN A 84 -5.483 -11.522 6.320 1.00 0.00 C ATOM 1231 CG GLN A 84 -6.019 -11.075 7.675 1.00 0.00 C ATOM 1232 CD GLN A 84 -5.918 -12.134 8.755 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -4.986 -13.061 8.613 1.00 0.00 O flip ATOM 1234 NE2 GLN A 84 -6.698 -12.131 9.706 1.00 0.00 N flip ATOM 0 H GLN A 84 -2.765 -10.038 7.258 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.475 -12.100 6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.970 -10.939 5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.757 -12.564 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.472 -10.189 7.997 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.063 -10.782 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.405 -11.400 9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.638 -12.860 10.417 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.395 -11.144 4.325 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.913 -11.362 2.970 1.00 0.00 C ATOM 1245 C GLY A 85 -2.365 -10.265 2.031 1.00 0.00 C ATOM 1246 O GLY A 85 -2.065 -9.091 2.265 1.00 0.00 O ATOM 0 H GLY A 85 -1.790 -10.566 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.824 -11.411 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.274 -12.324 2.606 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.064 -10.636 0.958 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.694 -9.650 0.089 1.00 0.00 C ATOM 1252 C ILE A 86 -4.817 -8.950 0.831 1.00 0.00 C ATOM 1253 O ILE A 86 -5.876 -9.535 1.079 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.258 -10.245 -1.211 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.121 -10.828 -2.044 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -4.980 -9.160 -1.983 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.198 -10.545 -3.526 1.00 0.00 C ATOM 0 H ILE A 86 -3.206 -11.605 0.674 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.908 -8.948 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.962 -11.044 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.177 -10.437 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.101 -11.908 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.382 -9.577 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.796 -8.764 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.282 -8.357 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.345 -11.002 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.122 -10.961 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.183 -9.468 -3.692 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.576 -7.711 1.199 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.580 -6.918 1.863 1.00 0.00 C ATOM 1271 C PHE A 87 -5.919 -5.734 0.987 1.00 0.00 C ATOM 1272 O PHE A 87 -5.134 -4.799 0.836 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.080 -6.479 3.242 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.137 -5.952 4.181 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.463 -6.361 4.098 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.788 -5.051 5.168 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.410 -5.871 4.984 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.726 -4.564 6.054 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.034 -4.968 5.964 1.00 0.00 C ATOM 0 H PHE A 87 -3.689 -7.232 1.048 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.484 -7.506 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.588 -7.327 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.323 -5.707 3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.758 -7.067 3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.762 -4.722 5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.438 -6.193 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.430 -3.863 6.820 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.768 -4.583 6.656 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.075 -5.819 0.370 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.516 -4.807 -0.551 1.00 0.00 C ATOM 1291 C ALA A 88 -8.516 -3.879 0.128 1.00 0.00 C ATOM 1292 O ALA A 88 -9.296 -4.302 0.982 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.115 -5.462 -1.773 1.00 0.00 C ATOM 0 H ALA A 88 -7.731 -6.590 0.494 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.665 -4.204 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.449 -4.694 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.364 -6.088 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.965 -6.077 -1.477 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.478 -2.614 -0.236 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.390 -1.636 0.316 1.00 0.00 C ATOM 1301 C PHE A 89 -10.079 -0.940 -0.808 1.00 0.00 C ATOM 1302 O PHE A 89 -9.461 -0.585 -1.805 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.685 -0.589 1.162 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.616 -1.160 1.998 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.388 -1.334 1.452 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.837 -1.534 3.303 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.373 -1.880 2.175 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.822 -2.079 4.049 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.583 -2.257 3.480 1.00 0.00 C ATOM 0 H PHE A 89 -7.819 -2.238 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.092 -2.168 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.262 0.175 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.415 -0.093 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.213 -1.035 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.814 -1.398 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.402 -2.017 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.995 -2.366 5.076 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.779 -2.691 4.056 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.345 -0.737 -0.644 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.123 -0.072 -1.632 1.00 0.00 C ATOM 1321 C LYS A 90 -11.828 1.420 -1.564 1.00 0.00 C ATOM 1322 O LYS A 90 -12.518 2.184 -0.894 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.574 -0.366 -1.381 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.410 -0.521 -2.618 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.655 -1.325 -2.349 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.385 -0.762 -1.163 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.680 -1.451 -0.941 1.00 0.00 N ATOM 0 H LYS A 90 -11.868 -1.029 0.181 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.874 -0.422 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.648 -1.281 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.993 0.437 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.686 0.463 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.823 -1.008 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.303 -1.311 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.392 -2.366 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.763 -0.859 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.560 0.303 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.311 -0.835 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.121 -1.666 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.517 -2.336 -0.419 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.771 1.809 -2.246 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.295 3.177 -2.216 1.00 0.00 C ATOM 1343 C CYS A 91 -10.778 3.898 -3.456 1.00 0.00 C ATOM 1344 O CYS A 91 -10.467 3.483 -4.562 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.765 3.228 -2.177 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.112 4.913 -2.182 1.00 0.00 S ATOM 0 H CYS A 91 -10.218 1.187 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.683 3.657 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.413 2.711 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.367 2.688 -3.036 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.486 5.527 -1.099 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.529 4.974 -3.295 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.023 5.694 -4.458 1.00 0.00 C ATOM 1354 C ALA A 92 -10.885 6.362 -5.219 1.00 0.00 C ATOM 1355 O ALA A 92 -10.996 6.631 -6.413 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.083 6.697 -4.078 1.00 0.00 C ATOM 0 H ALA A 92 -11.806 5.362 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.484 4.963 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.429 7.217 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.921 6.181 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.665 7.420 -3.377 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.793 6.636 -4.520 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.548 6.996 -5.180 1.00 0.00 C ATOM 1364 C ARG A 93 -7.644 5.784 -5.242 1.00 0.00 C ATOM 1365 O ARG A 93 -6.467 5.912 -5.011 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.790 8.120 -4.459 1.00 0.00 C ATOM 1367 CG ARG A 93 -7.937 9.492 -5.090 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.363 10.011 -5.056 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.444 11.336 -5.667 1.00 0.00 N ATOM 1370 CZ ARG A 93 -9.905 12.427 -5.051 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -10.373 12.355 -3.812 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -9.896 13.594 -5.684 1.00 0.00 N ATOM 0 H ARG A 93 -9.744 6.616 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.813 7.353 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.138 8.171 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.731 7.862 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.287 10.196 -4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.597 9.448 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.020 9.320 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.714 10.058 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.126 11.434 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.383 11.461 -3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.723 13.194 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.538 13.654 -6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.247 14.430 -5.217 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.202 4.606 -5.493 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.397 3.389 -5.625 1.00 0.00 C ATOM 1388 C ALA A 94 -6.303 3.610 -6.632 1.00 0.00 C ATOM 1389 O ALA A 94 -5.129 3.426 -6.358 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.240 2.243 -6.132 1.00 0.00 C ATOM 0 H ALA A 94 -9.205 4.463 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.989 3.154 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.623 1.349 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.054 2.052 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.653 2.499 -7.108 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.755 3.970 -7.814 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.902 4.345 -8.934 1.00 0.00 C ATOM 1398 C GLU A 95 -4.762 5.238 -8.474 1.00 0.00 C ATOM 1399 O GLU A 95 -3.587 4.906 -8.614 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.758 5.078 -9.975 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.930 5.848 -9.365 1.00 0.00 C ATOM 1402 CD GLU A 95 -9.232 5.073 -9.348 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.418 4.250 -8.434 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -10.077 5.298 -10.239 1.00 0.00 O ATOM 0 H GLU A 95 -7.750 4.013 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.465 3.447 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.127 5.772 -10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.143 4.354 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.674 6.131 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.076 6.772 -9.925 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.155 6.354 -7.907 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.254 7.346 -7.373 1.00 0.00 C ATOM 1413 C GLU A 96 -3.372 6.765 -6.279 1.00 0.00 C ATOM 1414 O GLU A 96 -2.160 6.940 -6.289 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.105 8.466 -6.804 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.338 9.703 -6.437 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.582 10.300 -7.603 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.480 9.816 -7.926 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.105 11.254 -8.211 1.00 0.00 O ATOM 0 H GLU A 96 -6.138 6.603 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.594 7.707 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.870 8.731 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.623 8.098 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.029 10.447 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.634 9.464 -5.640 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.002 6.085 -5.337 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.331 5.526 -4.202 1.00 0.00 C ATOM 1428 C LEU A 97 -2.318 4.500 -4.636 1.00 0.00 C ATOM 1429 O LEU A 97 -1.132 4.653 -4.388 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.354 4.893 -3.278 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.937 4.899 -1.830 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.131 4.940 -0.949 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.176 3.650 -1.527 1.00 0.00 C ATOM 0 H LEU A 97 -5.007 5.910 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.804 6.320 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.301 5.424 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.530 3.865 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.318 5.779 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.814 4.944 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.706 5.843 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.752 4.064 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.874 3.653 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.808 2.783 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.290 3.601 -2.160 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.789 3.463 -5.294 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.915 2.440 -5.807 1.00 0.00 C ATOM 1447 C PHE A 98 -0.732 3.090 -6.518 1.00 0.00 C ATOM 1448 O PHE A 98 0.411 2.835 -6.173 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.678 1.517 -6.759 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.774 0.789 -7.688 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.825 -0.046 -7.170 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.832 0.982 -9.057 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.069 -0.677 -7.979 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.944 0.331 -9.888 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.016 -0.497 -9.342 1.00 0.00 C ATOM 0 H PHE A 98 -3.779 3.309 -5.485 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.542 1.837 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.254 0.797 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.391 2.105 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.784 -0.208 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.575 1.644 -9.476 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.822 -1.321 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.999 0.468 -10.958 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.723 -1.002 -9.983 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.043 3.955 -7.478 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.041 4.739 -8.215 1.00 0.00 C ATOM 1467 C ASN A 99 0.928 5.417 -7.281 1.00 0.00 C ATOM 1468 O ASN A 99 2.111 5.107 -7.300 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.735 5.809 -9.061 1.00 0.00 C ATOM 1470 CG ASN A 99 0.157 6.391 -10.139 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.834 7.396 -9.922 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.158 5.774 -11.311 1.00 0.00 N ATOM 0 H ASN A 99 -2.002 4.138 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 99 0.511 4.048 -8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.621 5.377 -9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.077 6.613 -8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.734 6.129 -12.074 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.417 4.943 -11.451 1.00 0.00 H new ATOM 1479 N MET A 100 0.415 6.328 -6.468 1.00 0.00 N ATOM 1480 CA MET A 100 1.226 7.076 -5.523 1.00 0.00 C ATOM 1481 C MET A 100 2.136 6.118 -4.781 1.00 0.00 C ATOM 1482 O MET A 100 3.339 6.318 -4.729 1.00 0.00 O ATOM 1483 CB MET A 100 0.313 7.817 -4.547 1.00 0.00 C ATOM 1484 CG MET A 100 1.010 8.883 -3.721 1.00 0.00 C ATOM 1485 SD MET A 100 0.226 9.175 -2.130 1.00 0.00 S ATOM 1486 CE MET A 100 -1.479 9.208 -2.634 1.00 0.00 C ATOM 0 H MET A 100 -0.576 6.569 -6.446 1.00 0.00 H new ATOM 0 HA MET A 100 1.839 7.807 -6.050 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.497 8.282 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.142 7.092 -3.872 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.046 8.587 -3.559 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.029 9.815 -4.285 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.118 9.256 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.657 10.083 -3.259 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.709 8.305 -3.200 1.00 0.00 H new ATOM 1496 N LEU A 101 1.541 5.060 -4.255 1.00 0.00 N ATOM 1497 CA LEU A 101 2.274 3.970 -3.629 1.00 0.00 C ATOM 1498 C LEU A 101 3.406 3.456 -4.517 1.00 0.00 C ATOM 1499 O LEU A 101 4.563 3.512 -4.112 1.00 0.00 O ATOM 1500 CB LEU A 101 1.287 2.849 -3.294 1.00 0.00 C ATOM 1501 CG LEU A 101 1.861 1.460 -3.075 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.875 1.447 -1.959 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.732 0.504 -2.775 1.00 0.00 C ATOM 0 H LEU A 101 0.529 4.932 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 101 2.743 4.338 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.744 3.136 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.557 2.789 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 101 2.379 1.149 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.263 0.436 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.695 2.123 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.401 1.773 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.135 -0.496 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.207 0.831 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.037 0.486 -3.615 1.00 0.00 H new ATOM 1515 N GLN A 102 3.087 2.969 -5.723 1.00 0.00 N ATOM 1516 CA GLN A 102 4.125 2.433 -6.607 1.00 0.00 C ATOM 1517 C GLN A 102 5.203 3.488 -6.856 1.00 0.00 C ATOM 1518 O GLN A 102 6.385 3.176 -6.938 1.00 0.00 O ATOM 1519 CB GLN A 102 3.593 1.945 -7.962 1.00 0.00 C ATOM 1520 CG GLN A 102 2.129 1.972 -8.143 1.00 0.00 C ATOM 1521 CD GLN A 102 1.782 2.106 -9.602 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.776 2.695 -9.977 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.635 1.565 -10.433 1.00 0.00 N ATOM 0 H GLN A 102 2.140 2.935 -6.101 1.00 0.00 H new ATOM 0 HA GLN A 102 4.536 1.567 -6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.045 2.554 -8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.937 0.922 -8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.690 1.059 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.702 2.804 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.460 1.084 -10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.475 1.624 -11.439 1.00 0.00 H new ATOM 1532 N GLU A 103 4.778 4.742 -6.960 1.00 0.00 N ATOM 1533 CA GLU A 103 5.688 5.857 -7.196 1.00 0.00 C ATOM 1534 C GLU A 103 6.561 6.110 -5.985 1.00 0.00 C ATOM 1535 O GLU A 103 7.778 6.216 -6.106 1.00 0.00 O ATOM 1536 CB GLU A 103 4.906 7.122 -7.500 1.00 0.00 C ATOM 1537 CG GLU A 103 3.865 6.949 -8.580 1.00 0.00 C ATOM 1538 CD GLU A 103 4.475 6.815 -9.957 1.00 0.00 C ATOM 1539 OE1 GLU A 103 4.889 7.844 -10.531 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.557 5.680 -10.468 1.00 0.00 O ATOM 0 H GLU A 103 3.798 5.014 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 103 6.317 5.593 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.417 7.464 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.602 7.905 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.266 6.064 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.188 7.803 -8.568 1.00 0.00 H new ATOM 1547 N ILE A 104 5.934 6.232 -4.822 1.00 0.00 N ATOM 1548 CA ILE A 104 6.667 6.371 -3.581 1.00 0.00 C ATOM 1549 C ILE A 104 7.655 5.221 -3.461 1.00 0.00 C ATOM 1550 O ILE A 104 8.806 5.411 -3.070 1.00 0.00 O ATOM 1551 CB ILE A 104 5.741 6.393 -2.347 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.945 7.690 -2.274 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.566 6.241 -1.098 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.468 7.488 -2.060 1.00 0.00 C ATOM 0 H ILE A 104 4.919 6.237 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 104 7.189 7.328 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 104 5.037 5.565 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.339 8.302 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.095 8.250 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.912 6.257 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.105 5.294 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.280 7.062 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.970 8.457 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.058 6.904 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.306 6.957 -1.122 1.00 0.00 H new ATOM 1566 N MET A 105 7.194 4.037 -3.846 1.00 0.00 N ATOM 1567 CA MET A 105 8.035 2.857 -3.889 1.00 0.00 C ATOM 1568 C MET A 105 9.273 3.096 -4.743 1.00 0.00 C ATOM 1569 O MET A 105 10.404 2.846 -4.315 1.00 0.00 O ATOM 1570 CB MET A 105 7.270 1.668 -4.448 1.00 0.00 C ATOM 1571 CG MET A 105 6.233 1.111 -3.500 1.00 0.00 C ATOM 1572 SD MET A 105 6.016 -0.653 -3.707 1.00 0.00 S ATOM 1573 CE MET A 105 5.097 -1.017 -2.235 1.00 0.00 C ATOM 0 H MET A 105 6.230 3.873 -4.135 1.00 0.00 H new ATOM 0 HA MET A 105 8.343 2.642 -2.866 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.779 1.966 -5.374 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.978 0.879 -4.702 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.530 1.322 -2.473 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.281 1.616 -3.666 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.682 -1.677 -1.595 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.882 -0.091 -1.702 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.161 -1.507 -2.502 1.00 0.00 H new ATOM 1583 N GLN A 106 9.047 3.602 -5.950 1.00 0.00 N ATOM 1584 CA GLN A 106 10.110 3.826 -6.907 1.00 0.00 C ATOM 1585 C GLN A 106 11.050 4.933 -6.449 1.00 0.00 C ATOM 1586 O GLN A 106 12.264 4.847 -6.619 1.00 0.00 O ATOM 1587 CB GLN A 106 9.516 4.202 -8.250 1.00 0.00 C ATOM 1588 CG GLN A 106 8.603 3.144 -8.820 1.00 0.00 C ATOM 1589 CD GLN A 106 9.314 1.982 -9.502 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.545 1.698 -9.114 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 8.754 1.347 -10.399 1.00 0.00 N flip ATOM 0 H GLN A 106 8.121 3.866 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 106 10.683 2.903 -6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.959 5.133 -8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.324 4.392 -8.956 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.982 2.749 -8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.932 3.613 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.803 1.589 -10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.242 0.580 -10.862 1.00 0.00 H new ATOM 1600 N ASN A 107 10.477 5.962 -5.849 1.00 0.00 N ATOM 1601 CA ASN A 107 11.190 7.209 -5.625 1.00 0.00 C ATOM 1602 C ASN A 107 11.756 7.348 -4.210 1.00 0.00 C ATOM 1603 O ASN A 107 12.618 8.190 -3.972 1.00 0.00 O ATOM 1604 CB ASN A 107 10.274 8.385 -5.951 1.00 0.00 C ATOM 1605 CG ASN A 107 10.001 8.514 -7.441 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.766 9.139 -8.176 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.906 7.925 -7.895 1.00 0.00 N ATOM 0 H ASN A 107 9.516 5.959 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 107 12.053 7.204 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.329 8.264 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.728 9.307 -5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.671 7.980 -8.886 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.297 7.416 -7.254 1.00 0.00 H new ATOM 1614 N ASN A 108 11.295 6.534 -3.266 1.00 0.00 N ATOM 1615 CA ASN A 108 11.824 6.617 -1.904 1.00 0.00 C ATOM 1616 C ASN A 108 12.825 5.520 -1.635 1.00 0.00 C ATOM 1617 O ASN A 108 13.701 5.674 -0.782 1.00 0.00 O ATOM 1618 CB ASN A 108 10.724 6.590 -0.836 1.00 0.00 C ATOM 1619 CG ASN A 108 10.032 7.930 -0.716 1.00 0.00 C ATOM 1620 OD1 ASN A 108 9.005 8.149 -1.518 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.433 8.768 0.085 1.00 0.00 N flip ATOM 0 H ASN A 108 10.575 5.826 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 108 12.325 7.583 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 108 9.992 5.823 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.157 6.316 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.230 8.558 0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.970 9.674 0.150 1.00 0.00 H new ATOM 1628 N SER A 109 12.676 4.411 -2.359 1.00 0.00 N ATOM 1629 CA SER A 109 13.484 3.202 -2.146 1.00 0.00 C ATOM 1630 C SER A 109 13.095 2.533 -0.826 1.00 0.00 C ATOM 1631 O SER A 109 13.169 1.312 -0.699 1.00 0.00 O ATOM 1632 CB SER A 109 14.986 3.519 -2.180 1.00 0.00 C ATOM 1633 OG SER A 109 15.355 4.093 -3.426 1.00 0.00 O ATOM 0 H SER A 109 11.993 4.322 -3.111 1.00 0.00 H new ATOM 0 HA SER A 109 13.280 2.508 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.235 4.205 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.558 2.607 -2.012 1.00 0.00 H new ATOM 0 HG SER A 109 16.315 4.288 -3.425 1.00 0.00 H new ATOM 1639 N ILE A 110 12.654 3.352 0.128 1.00 0.00 N ATOM 1640 CA ILE A 110 12.062 2.890 1.365 1.00 0.00 C ATOM 1641 C ILE A 110 13.078 2.250 2.298 1.00 0.00 C ATOM 1642 O ILE A 110 13.487 1.100 2.120 1.00 0.00 O ATOM 1643 CB ILE A 110 10.885 1.947 1.122 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.703 2.717 0.563 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.498 1.279 2.405 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.846 3.172 -0.867 1.00 0.00 C ATOM 0 H ILE A 110 12.702 4.368 0.054 1.00 0.00 H new ATOM 0 HA ILE A 110 11.681 3.782 1.862 1.00 0.00 H new ATOM 0 HB ILE A 110 11.183 1.189 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.814 2.091 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.532 3.592 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.658 0.607 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.344 0.708 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.210 2.034 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.948 3.712 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.711 3.829 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.982 2.305 -1.513 1.00 0.00 H new ATOM 1658 N ASN A 111 13.472 3.010 3.304 1.00 0.00 N ATOM 1659 CA ASN A 111 14.428 2.538 4.286 1.00 0.00 C ATOM 1660 C ASN A 111 13.959 2.843 5.692 1.00 0.00 C ATOM 1661 O ASN A 111 13.530 3.957 5.995 1.00 0.00 O ATOM 1662 CB ASN A 111 15.795 3.192 4.066 1.00 0.00 C ATOM 1663 CG ASN A 111 16.429 2.831 2.740 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.341 1.694 2.279 1.00 0.00 O ATOM 1665 ND2 ASN A 111 17.064 3.804 2.109 1.00 0.00 N ATOM 0 H ASN A 111 13.142 3.962 3.462 1.00 0.00 H new ATOM 0 HA ASN A 111 14.515 1.458 4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.685 4.275 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.465 2.896 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.503 3.625 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.115 4.734 2.525 1.00 0.00 H new ATOM 1672 N VAL A 112 14.018 1.830 6.536 1.00 0.00 N ATOM 1673 CA VAL A 112 13.834 2.006 7.964 1.00 0.00 C ATOM 1674 C VAL A 112 15.192 2.303 8.572 1.00 0.00 C ATOM 1675 O VAL A 112 15.318 3.006 9.576 1.00 0.00 O ATOM 1676 CB VAL A 112 13.250 0.734 8.607 1.00 0.00 C ATOM 1677 CG1 VAL A 112 12.801 0.996 10.038 1.00 0.00 C ATOM 1678 CG2 VAL A 112 12.108 0.201 7.762 1.00 0.00 C ATOM 0 H VAL A 112 14.194 0.866 6.253 1.00 0.00 H new ATOM 0 HA VAL A 112 13.135 2.823 8.145 1.00 0.00 H new ATOM 0 HB VAL A 112 14.033 -0.023 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.393 0.080 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.653 1.325 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.034 1.771 10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.702 -0.698 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.326 0.957 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.475 -0.039 6.764 1.00 0.00 H new ATOM 1688 N VAL A 113 16.198 1.743 7.919 1.00 0.00 N ATOM 1689 CA VAL A 113 17.595 1.949 8.247 1.00 0.00 C ATOM 1690 C VAL A 113 18.415 1.103 7.277 1.00 0.00 C ATOM 1691 O VAL A 113 17.828 0.356 6.484 1.00 0.00 O ATOM 1692 CB VAL A 113 17.913 1.550 9.709 1.00 0.00 C ATOM 1693 CG1 VAL A 113 18.120 0.050 9.839 1.00 0.00 C ATOM 1694 CG2 VAL A 113 19.115 2.313 10.237 1.00 0.00 C ATOM 0 H VAL A 113 16.059 1.117 7.126 1.00 0.00 H new ATOM 0 HA VAL A 113 17.840 3.007 8.156 1.00 0.00 H new ATOM 0 HB VAL A 113 17.051 1.821 10.319 1.00 0.00 H new ATOM 0 HG11 VAL A 113 18.342 -0.198 10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 113 17.215 -0.471 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.952 -0.259 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.314 2.012 11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.986 2.093 9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.909 3.383 10.206 1.00 0.00 H new ATOM 1704 N GLU A 114 19.739 1.206 7.338 1.00 0.00 N ATOM 1705 CA GLU A 114 20.621 0.423 6.487 1.00 0.00 C ATOM 1706 C GLU A 114 20.264 0.604 5.019 1.00 0.00 C ATOM 1707 O GLU A 114 19.618 -0.250 4.405 1.00 0.00 O ATOM 1708 CB GLU A 114 20.537 -1.040 6.882 1.00 0.00 C ATOM 1709 CG GLU A 114 21.123 -1.333 8.239 1.00 0.00 C ATOM 1710 CD GLU A 114 20.744 -2.703 8.744 1.00 0.00 C ATOM 1711 OE1 GLU A 114 21.353 -3.695 8.303 1.00 0.00 O ATOM 1712 OE2 GLU A 114 19.817 -2.797 9.572 1.00 0.00 O ATOM 0 H GLU A 114 20.227 1.833 7.977 1.00 0.00 H new ATOM 0 HA GLU A 114 21.644 0.773 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.492 -1.351 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 114 21.056 -1.640 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 114 22.209 -1.255 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.783 -0.580 8.949 1.00 0.00 H new ATOM 1719 N GLU A 115 20.683 1.731 4.479 1.00 0.00 N ATOM 1720 CA GLU A 115 20.383 2.094 3.114 1.00 0.00 C ATOM 1721 C GLU A 115 21.137 1.194 2.142 1.00 0.00 C ATOM 1722 O GLU A 115 22.367 1.111 2.194 1.00 0.00 O ATOM 1723 CB GLU A 115 20.760 3.555 2.895 1.00 0.00 C ATOM 1724 CG GLU A 115 20.255 4.120 1.592 1.00 0.00 C ATOM 1725 CD GLU A 115 20.390 5.624 1.526 1.00 0.00 C ATOM 1726 OE1 GLU A 115 21.523 6.116 1.375 1.00 0.00 O ATOM 1727 OE2 GLU A 115 19.358 6.322 1.631 1.00 0.00 O ATOM 0 H GLU A 115 21.243 2.421 4.979 1.00 0.00 H new ATOM 0 HA GLU A 115 19.317 1.963 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.364 4.151 3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 115 21.845 3.650 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.807 3.672 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 115 19.208 3.846 1.461 1.00 0.00 H new ATOM 1734 N PRO A 116 20.409 0.482 1.267 1.00 0.00 N ATOM 1735 CA PRO A 116 21.002 -0.356 0.221 1.00 0.00 C ATOM 1736 C PRO A 116 21.654 0.469 -0.887 1.00 0.00 C ATOM 1737 O PRO A 116 21.244 0.401 -2.044 1.00 0.00 O ATOM 1738 CB PRO A 116 19.820 -1.149 -0.341 1.00 0.00 C ATOM 1739 CG PRO A 116 18.703 -0.930 0.605 1.00 0.00 C ATOM 1740 CD PRO A 116 18.947 0.400 1.249 1.00 0.00 C ATOM 0 HA PRO A 116 21.797 -0.985 0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 116 19.558 -0.805 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 116 20.063 -2.209 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.746 -0.939 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 116 18.667 -1.722 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 116 18.502 1.215 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 116 18.526 0.448 2.253 1.00 0.00 H new ATOM 1748 N VAL A 117 22.657 1.252 -0.484 1.00 0.00 N ATOM 1749 CA VAL A 117 23.445 2.134 -1.356 1.00 0.00 C ATOM 1750 C VAL A 117 22.625 2.877 -2.413 1.00 0.00 C ATOM 1751 O VAL A 117 22.371 2.379 -3.508 1.00 0.00 O ATOM 1752 CB VAL A 117 24.659 1.414 -2.003 1.00 0.00 C ATOM 1753 CG1 VAL A 117 25.673 1.031 -0.940 1.00 0.00 C ATOM 1754 CG2 VAL A 117 24.233 0.184 -2.774 1.00 0.00 C ATOM 0 H VAL A 117 22.955 1.293 0.491 1.00 0.00 H new ATOM 0 HA VAL A 117 23.828 2.897 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 117 25.117 2.110 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 117 26.518 0.527 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 117 26.023 1.929 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 117 25.207 0.362 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 117 25.110 -0.293 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 117 23.739 -0.515 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 117 23.543 0.472 -3.567 1.00 0.00 H new ATOM 1764 N VAL A 118 22.236 4.097 -2.072 1.00 0.00 N ATOM 1765 CA VAL A 118 21.602 4.983 -3.037 1.00 0.00 C ATOM 1766 C VAL A 118 22.635 5.385 -4.076 1.00 0.00 C ATOM 1767 O VAL A 118 23.800 5.624 -3.729 1.00 0.00 O ATOM 1768 CB VAL A 118 20.973 6.227 -2.368 1.00 0.00 C ATOM 1769 CG1 VAL A 118 20.728 7.342 -3.375 1.00 0.00 C ATOM 1770 CG2 VAL A 118 19.664 5.834 -1.713 1.00 0.00 C ATOM 0 H VAL A 118 22.347 4.494 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 118 20.780 4.449 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 118 21.671 6.602 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 118 20.285 8.199 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.674 7.637 -3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 118 20.049 6.989 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.217 6.708 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.983 5.442 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.850 5.069 -0.959 1.00 0.00 H new ATOM 1780 N GLU A 119 22.202 5.444 -5.334 1.00 0.00 N ATOM 1781 CA GLU A 119 23.109 5.478 -6.470 1.00 0.00 C ATOM 1782 C GLU A 119 23.762 4.108 -6.555 1.00 0.00 C ATOM 1783 O GLU A 119 24.928 3.922 -6.200 1.00 0.00 O ATOM 1784 CB GLU A 119 24.159 6.591 -6.341 1.00 0.00 C ATOM 1785 CG GLU A 119 25.106 6.683 -7.524 1.00 0.00 C ATOM 1786 CD GLU A 119 26.241 7.646 -7.270 1.00 0.00 C ATOM 1787 OE1 GLU A 119 26.069 8.855 -7.510 1.00 0.00 O ATOM 1788 OE2 GLU A 119 27.314 7.200 -6.815 1.00 0.00 O ATOM 0 H GLU A 119 21.215 5.469 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 119 22.557 5.703 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.648 7.547 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.741 6.425 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 119 25.511 5.695 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 119 24.552 7.001 -8.407 1.00 0.00 H new ATOM 1795 N ARG A 120 22.966 3.143 -6.988 1.00 0.00 N ATOM 1796 CA ARG A 120 23.351 1.747 -6.957 1.00 0.00 C ATOM 1797 C ARG A 120 24.575 1.490 -7.818 1.00 0.00 C ATOM 1798 O ARG A 120 24.818 2.192 -8.803 1.00 0.00 O ATOM 1799 CB ARG A 120 22.193 0.882 -7.417 1.00 0.00 C ATOM 1800 CG ARG A 120 21.023 0.950 -6.463 1.00 0.00 C ATOM 1801 CD ARG A 120 21.231 0.086 -5.231 1.00 0.00 C ATOM 1802 NE ARG A 120 21.389 -1.332 -5.549 1.00 0.00 N ATOM 1803 CZ ARG A 120 21.471 -2.290 -4.627 1.00 0.00 C ATOM 1804 NH1 ARG A 120 21.380 -1.981 -3.339 1.00 0.00 N ATOM 1805 NH2 ARG A 120 21.647 -3.554 -4.988 1.00 0.00 N ATOM 0 H ARG A 120 22.035 3.309 -7.370 1.00 0.00 H new ATOM 0 HA ARG A 120 23.608 1.489 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 120 21.872 1.203 -8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 120 22.526 -0.152 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.867 1.984 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 120 20.118 0.631 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 120 22.114 0.433 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 120 20.382 0.210 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 120 21.439 -1.603 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 120 21.247 -1.010 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 120 21.443 -2.714 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 120 21.720 -3.797 -5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 120 21.709 -4.283 -4.278 1.00 0.00 H new ATOM 1819 N ASN A 121 25.345 0.485 -7.437 1.00 0.00 N ATOM 1820 CA ASN A 121 26.507 0.080 -8.209 1.00 0.00 C ATOM 1821 C ASN A 121 26.046 -0.492 -9.536 1.00 0.00 C ATOM 1822 O ASN A 121 26.741 -0.410 -10.544 1.00 0.00 O ATOM 1823 CB ASN A 121 27.332 -0.953 -7.437 1.00 0.00 C ATOM 1824 CG ASN A 121 27.887 -0.395 -6.141 1.00 0.00 C ATOM 1825 OD1 ASN A 121 27.232 -0.442 -5.098 1.00 0.00 O ATOM 1826 ND2 ASN A 121 29.098 0.134 -6.193 1.00 0.00 N ATOM 0 H ASN A 121 25.185 -0.067 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 121 27.141 0.948 -8.390 1.00 0.00 H new ATOM 0 HB2 ASN A 121 26.710 -1.822 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 121 28.155 -1.299 -8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 121 29.522 0.522 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 121 29.608 0.154 -7.076 1.00 0.00 H new ATOM 1833 N ASN A 122 24.858 -1.069 -9.518 1.00 0.00 N ATOM 1834 CA ASN A 122 24.213 -1.545 -10.725 1.00 0.00 C ATOM 1835 C ASN A 122 22.839 -0.895 -10.837 1.00 0.00 C ATOM 1836 O ASN A 122 21.879 -1.428 -10.246 1.00 0.00 O ATOM 1837 CB ASN A 122 24.086 -3.070 -10.690 1.00 0.00 C ATOM 1838 CG ASN A 122 23.737 -3.671 -12.041 1.00 0.00 C ATOM 1839 OD1 ASN A 122 23.061 -3.056 -12.866 1.00 0.00 O ATOM 1840 ND2 ASN A 122 24.205 -4.884 -12.273 1.00 0.00 N ATOM 1841 OXT ASN A 122 22.731 0.165 -11.487 1.00 0.00 O ATOM 0 H ASN A 122 24.315 -1.220 -8.668 1.00 0.00 H new ATOM 0 HA ASN A 122 24.813 -1.277 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 122 25.025 -3.499 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 122 23.320 -3.348 -9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 122 24.010 -5.344 -13.162 1.00 0.00 H new ATOM 0 HD22 ASN A 122 24.762 -5.360 -11.563 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 1.258 -16.164 -10.155 1.00 0.00 N ATOM 1850 CA GLY B 493 0.242 -16.354 -9.098 1.00 0.00 C ATOM 1851 C GLY B 493 -0.933 -15.425 -9.288 1.00 0.00 C ATOM 1852 O GLY B 493 -0.938 -14.619 -10.221 1.00 0.00 O ATOM 0 HA2 GLY B 493 -0.105 -17.387 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY B 493 0.693 -16.177 -8.122 1.00 0.00 H new ATOM 1858 N PRO B 494 -1.951 -15.516 -8.424 1.00 0.00 N ATOM 1859 CA PRO B 494 -3.162 -14.701 -8.521 1.00 0.00 C ATOM 1860 C PRO B 494 -2.911 -13.248 -8.119 1.00 0.00 C ATOM 1861 O PRO B 494 -3.268 -12.829 -7.015 1.00 0.00 O ATOM 1862 CB PRO B 494 -4.136 -15.371 -7.535 1.00 0.00 C ATOM 1863 CG PRO B 494 -3.481 -16.649 -7.120 1.00 0.00 C ATOM 1864 CD PRO B 494 -2.008 -16.422 -7.275 1.00 0.00 C ATOM 0 HA PRO B 494 -3.540 -14.657 -9.542 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -4.323 -14.730 -6.674 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -5.100 -15.561 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -3.732 -16.900 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -3.816 -17.480 -7.741 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -1.569 -15.975 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -1.471 -17.352 -7.463 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.289 -12.488 -9.012 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.965 -11.092 -8.736 1.00 0.00 C ATOM 1874 C ASP B 495 -3.228 -10.249 -8.624 1.00 0.00 C ATOM 1875 O ASP B 495 -3.412 -9.536 -7.650 1.00 0.00 O ATOM 1876 CB ASP B 495 -1.025 -10.528 -9.811 1.00 0.00 C ATOM 1877 CG ASP B 495 -1.607 -10.596 -11.210 1.00 0.00 C ATOM 1878 OD1 ASP B 495 -1.491 -11.660 -11.860 1.00 0.00 O ATOM 1879 OD2 ASP B 495 -2.180 -9.589 -11.669 1.00 0.00 O ATOM 0 H ASP B 495 -1.998 -12.814 -9.934 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.449 -11.050 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -0.791 -9.491 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -0.085 -11.080 -9.788 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.128 -10.346 -9.572 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.375 -9.642 -9.418 1.00 0.00 C ATOM 1886 C ALA B 496 -6.106 -10.202 -8.226 1.00 0.00 C ATOM 1887 O ALA B 496 -6.411 -11.391 -8.154 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.217 -9.692 -10.666 1.00 0.00 C ATOM 0 H ALA B 496 -4.027 -10.887 -10.431 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.164 -8.586 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.146 -9.147 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.671 -9.235 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.443 -10.730 -10.911 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.289 -9.347 -7.255 1.00 0.00 N ATOM 1895 CA VAL B 497 -7.045 -9.694 -6.069 1.00 0.00 C ATOM 1896 C VAL B 497 -8.499 -9.453 -6.366 1.00 0.00 C ATOM 1897 O VAL B 497 -8.922 -8.330 -6.597 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.576 -8.884 -4.809 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.379 -8.043 -5.149 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.687 -8.006 -4.233 1.00 0.00 C ATOM 0 H VAL B 497 -5.923 -8.395 -7.258 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.877 -10.743 -5.824 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.307 -9.611 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.063 -7.486 -4.267 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.565 -8.687 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.639 -7.345 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.311 -7.467 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -8.015 -7.292 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.528 -8.632 -3.936 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.282 -10.490 -6.443 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.634 -10.250 -6.831 1.00 0.00 C ATOM 1912 C ILE B 498 -11.454 -10.117 -5.588 1.00 0.00 C ATOM 1913 O ILE B 498 -12.106 -11.064 -5.148 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.277 -11.279 -7.785 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.409 -11.681 -8.999 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.600 -10.711 -8.296 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -9.083 -11.000 -9.134 1.00 0.00 C ATOM 0 H ILE B 498 -9.025 -11.459 -6.253 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.612 -9.337 -7.425 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.408 -12.188 -7.199 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.236 -12.756 -8.952 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.983 -11.490 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -13.067 -11.427 -8.972 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.264 -10.522 -7.453 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.414 -9.778 -8.828 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.573 -11.369 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.234 -9.924 -9.222 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.475 -11.210 -8.254 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.405 -8.935 -4.997 1.00 0.00 N ATOM 1930 CA ILE B 499 -12.062 -8.751 -3.740 1.00 0.00 C ATOM 1931 C ILE B 499 -13.532 -8.459 -4.015 1.00 0.00 C ATOM 1932 O ILE B 499 -13.945 -7.311 -4.200 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.355 -7.657 -2.879 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.164 -8.241 -2.103 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.315 -6.979 -1.925 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.210 -9.741 -1.903 1.00 0.00 C ATOM 0 H ILE B 499 -10.926 -8.114 -5.366 1.00 0.00 H new ATOM 0 HA ILE B 499 -12.000 -9.657 -3.137 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.984 -6.904 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.245 -7.987 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -10.114 -7.760 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.781 -6.225 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.115 -6.502 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.741 -7.721 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.329 -10.061 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.108 -10.006 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.226 -10.237 -2.873 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.290 -9.558 -4.082 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.715 -9.532 -4.370 1.00 0.00 C ATOM 1950 C GLY B 500 -16.109 -8.547 -5.445 1.00 0.00 C ATOM 1951 O GLY B 500 -16.030 -8.843 -6.641 1.00 0.00 O ATOM 0 H GLY B 500 -13.921 -10.497 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.032 -10.530 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.255 -9.290 -3.455 1.00 0.00 H new ATOM 1955 N MET B 501 -16.529 -7.376 -4.984 1.00 0.00 N ATOM 1956 CA MET B 501 -16.969 -6.291 -5.818 1.00 0.00 C ATOM 1957 C MET B 501 -16.031 -6.041 -6.991 1.00 0.00 C ATOM 1958 O MET B 501 -16.489 -5.800 -8.108 1.00 0.00 O ATOM 1959 CB MET B 501 -17.066 -5.032 -4.965 1.00 0.00 C ATOM 1960 CG MET B 501 -17.865 -3.950 -5.620 1.00 0.00 C ATOM 1961 SD MET B 501 -17.450 -2.305 -5.021 1.00 0.00 S ATOM 1962 CE MET B 501 -15.776 -2.131 -5.645 1.00 0.00 C ATOM 0 H MET B 501 -16.570 -7.159 -3.988 1.00 0.00 H new ATOM 0 HA MET B 501 -17.940 -6.557 -6.236 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.519 -5.282 -4.006 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.062 -4.661 -4.757 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.704 -3.989 -6.697 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.925 -4.136 -5.449 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.074 -2.141 -4.811 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.551 -2.958 -6.319 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.685 -1.188 -6.184 1.00 0.00 H new ATOM 1972 N THR B 502 -14.727 -6.092 -6.750 1.00 0.00 N ATOM 1973 CA THR B 502 -13.785 -5.728 -7.792 1.00 0.00 C ATOM 1974 C THR B 502 -12.503 -6.553 -7.787 1.00 0.00 C ATOM 1975 O THR B 502 -11.977 -6.917 -6.739 1.00 0.00 O ATOM 1976 CB THR B 502 -13.479 -4.223 -7.692 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.449 -3.463 -8.421 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.107 -3.886 -8.197 1.00 0.00 C ATOM 0 H THR B 502 -14.308 -6.375 -5.864 1.00 0.00 H new ATOM 0 HA THR B 502 -14.259 -5.954 -8.747 1.00 0.00 H new ATOM 0 HB THR B 502 -13.523 -3.965 -6.634 1.00 0.00 H new ATOM 0 HG1 THR B 502 -14.003 -2.963 -9.136 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.939 -2.813 -8.105 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.361 -4.421 -7.609 1.00 0.00 H new ATOM 0 HG23 THR B 502 -12.023 -4.178 -9.244 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.033 -6.871 -8.991 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.754 -7.510 -9.174 1.00 0.00 C ATOM 1988 C LYS B 503 -9.623 -6.510 -9.287 1.00 0.00 C ATOM 1989 O LYS B 503 -9.568 -5.730 -10.228 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.788 -8.395 -10.405 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.467 -8.464 -11.159 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.450 -9.619 -12.128 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.802 -9.781 -12.791 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.175 -8.577 -13.586 1.00 0.00 N ATOM 0 H LYS B 503 -12.536 -6.689 -9.860 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.564 -8.117 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.077 -9.403 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.561 -8.029 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.305 -7.531 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.646 -8.569 -10.450 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.685 -9.453 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -9.184 -10.537 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.786 -10.656 -13.441 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.561 -9.964 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.012 -8.127 -13.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.383 -7.903 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.391 -8.860 -14.563 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.701 -6.579 -8.351 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.601 -5.660 -8.291 1.00 0.00 C ATOM 2010 C ILE B 504 -6.363 -6.225 -8.929 1.00 0.00 C ATOM 2011 O ILE B 504 -5.699 -7.078 -8.363 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.250 -5.298 -6.861 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.482 -4.856 -6.125 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.256 -4.183 -6.874 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.166 -4.099 -4.869 1.00 0.00 C ATOM 0 H ILE B 504 -8.700 -7.280 -7.610 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.930 -4.774 -8.834 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.830 -6.170 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.086 -4.228 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.084 -5.730 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.997 -3.915 -5.850 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.358 -4.502 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.687 -3.318 -7.378 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.094 -3.805 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.586 -4.733 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.588 -3.209 -5.116 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.000 -5.699 -10.075 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.836 -6.133 -10.786 1.00 0.00 C ATOM 2029 C PRO B 505 -3.616 -5.449 -10.198 1.00 0.00 C ATOM 2030 O PRO B 505 -3.339 -4.269 -10.457 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.135 -5.708 -12.216 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.063 -4.541 -12.099 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.662 -4.582 -10.728 1.00 0.00 C ATOM 0 HA PRO B 505 -4.624 -7.201 -10.729 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.222 -5.432 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.595 -6.520 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.525 -3.606 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.842 -4.592 -12.860 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.489 -3.649 -10.191 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.741 -4.730 -10.771 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.959 -6.170 -9.312 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.849 -5.625 -8.564 1.00 0.00 C ATOM 2043 C VAL B 506 -0.511 -5.827 -9.272 1.00 0.00 C ATOM 2044 O VAL B 506 -0.408 -6.542 -10.268 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.780 -6.282 -7.179 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.087 -6.122 -6.418 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.462 -7.735 -7.329 1.00 0.00 C ATOM 0 H VAL B 506 -3.178 -7.142 -9.093 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.024 -4.553 -8.474 1.00 0.00 H new ATOM 0 HB VAL B 506 -0.995 -5.784 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.001 -6.600 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.303 -5.062 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.895 -6.590 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.413 -8.200 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.239 -8.218 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.501 -7.847 -7.831 1.00 0.00 H new ATOM 2057 N ILE B 507 0.502 -5.180 -8.720 1.00 0.00 N ATOM 2058 CA ILE B 507 1.872 -5.242 -9.212 1.00 0.00 C ATOM 2059 C ILE B 507 2.795 -5.518 -8.033 1.00 0.00 C ATOM 2060 O ILE B 507 2.366 -5.414 -6.891 1.00 0.00 O ATOM 2061 CB ILE B 507 2.280 -3.922 -9.890 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.528 -2.864 -8.849 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.168 -3.439 -10.793 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.125 -1.588 -9.387 1.00 0.00 C ATOM 0 H ILE B 507 0.394 -4.584 -7.900 1.00 0.00 H new ATOM 0 HA ILE B 507 1.948 -6.037 -9.954 1.00 0.00 H new ATOM 0 HB ILE B 507 3.186 -4.101 -10.470 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.585 -2.630 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.194 -3.270 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.465 -2.504 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.970 -4.189 -11.559 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.266 -3.275 -10.204 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.270 -0.881 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.085 -1.805 -9.855 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.451 -1.154 -10.126 1.00 0.00 H new ATOM 2076 N GLU B 508 4.041 -5.865 -8.287 1.00 0.00 N ATOM 2077 CA GLU B 508 4.944 -6.226 -7.203 1.00 0.00 C ATOM 2078 C GLU B 508 5.973 -5.132 -6.926 1.00 0.00 C ATOM 2079 O GLU B 508 6.369 -4.384 -7.821 1.00 0.00 O ATOM 2080 CB GLU B 508 5.602 -7.567 -7.505 1.00 0.00 C ATOM 2081 CG GLU B 508 4.703 -8.745 -7.173 1.00 0.00 C ATOM 2082 CD GLU B 508 5.039 -9.974 -7.974 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.929 -10.741 -7.553 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.408 -10.185 -9.029 1.00 0.00 O ATOM 0 H GLU B 508 4.451 -5.906 -9.220 1.00 0.00 H new ATOM 0 HA GLU B 508 4.360 -6.327 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.871 -7.606 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.528 -7.650 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.788 -8.974 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.665 -8.468 -7.357 1.00 0.00 H new ATOM 2091 N ASN B 509 6.376 -5.048 -5.659 1.00 0.00 N ATOM 2092 CA ASN B 509 7.188 -3.937 -5.152 1.00 0.00 C ATOM 2093 C ASN B 509 8.640 -4.014 -5.614 1.00 0.00 C ATOM 2094 O ASN B 509 9.197 -5.101 -5.780 1.00 0.00 O ATOM 2095 CB ASN B 509 7.168 -3.928 -3.619 1.00 0.00 C ATOM 2096 CG ASN B 509 7.966 -5.073 -3.018 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.165 -4.950 -2.787 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.309 -6.186 -2.750 1.00 0.00 N ATOM 0 H ASN B 509 6.150 -5.748 -4.952 1.00 0.00 H new ATOM 0 HA ASN B 509 6.749 -3.023 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.571 -2.981 -3.260 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.136 -3.988 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.798 -6.980 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.312 -6.252 -2.956 1.00 0.00 H new ATOM 2105 N PRO B 510 9.275 -2.848 -5.827 1.00 0.00 N ATOM 2106 CA PRO B 510 10.707 -2.745 -6.089 1.00 0.00 C ATOM 2107 C PRO B 510 11.537 -2.690 -4.800 1.00 0.00 C ATOM 2108 O PRO B 510 12.767 -2.626 -4.853 1.00 0.00 O ATOM 2109 CB PRO B 510 10.841 -1.413 -6.849 1.00 0.00 C ATOM 2110 CG PRO B 510 9.457 -0.852 -6.958 1.00 0.00 C ATOM 2111 CD PRO B 510 8.648 -1.526 -5.893 1.00 0.00 C ATOM 0 HA PRO B 510 11.075 -3.612 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.499 -0.726 -6.317 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.276 -1.570 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.463 0.229 -6.817 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.036 -1.042 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.706 -0.999 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.593 -1.587 -6.159 1.00 0.00 H new ATOM 2119 N GLN B 511 10.868 -2.709 -3.646 1.00 0.00 N ATOM 2120 CA GLN B 511 11.557 -2.623 -2.358 1.00 0.00 C ATOM 2121 C GLN B 511 12.413 -3.856 -2.123 1.00 0.00 C ATOM 2122 O GLN B 511 13.562 -3.755 -1.698 1.00 0.00 O ATOM 2123 CB GLN B 511 10.560 -2.455 -1.207 1.00 0.00 C ATOM 2124 CG GLN B 511 10.010 -1.045 -1.036 1.00 0.00 C ATOM 2125 CD GLN B 511 10.054 -0.222 -2.305 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.131 -0.256 -3.104 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.125 0.531 -2.494 1.00 0.00 N ATOM 0 H GLN B 511 9.853 -2.783 -3.577 1.00 0.00 H new ATOM 0 HA GLN B 511 12.202 -1.745 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.726 -3.138 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.045 -2.755 -0.278 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.979 -1.105 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.579 -0.533 -0.260 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.876 0.533 -1.803 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.200 1.110 -3.330 1.00 0.00 H new HETATM 2136 N PTR B 512 11.850 -5.016 -2.426 1.00 0.00 N HETATM 2137 CA PTR B 512 12.556 -6.280 -2.281 1.00 0.00 C HETATM 2138 C PTR B 512 13.736 -6.347 -3.248 1.00 0.00 C HETATM 2139 O PTR B 512 14.692 -7.088 -3.031 1.00 0.00 O HETATM 2140 CB PTR B 512 11.606 -7.458 -2.530 1.00 0.00 C HETATM 2141 CG PTR B 512 10.527 -7.650 -1.475 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.260 -6.684 -0.506 1.00 0.00 C HETATM 2143 CD2 PTR B 512 9.770 -8.814 -1.455 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.284 -6.873 0.441 1.00 0.00 C HETATM 2145 CE2 PTR B 512 8.786 -9.008 -0.505 1.00 0.00 C HETATM 2146 CZ PTR B 512 8.548 -8.037 0.443 1.00 0.00 C HETATM 2147 OH PTR B 512 7.572 -8.229 1.392 1.00 0.00 O HETATM 2148 P PTR B 512 7.877 -9.258 2.611 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.317 -9.005 2.987 1.00 0.00 O HETATM 2150 O2P PTR B 512 7.491 -10.677 2.003 1.00 0.00 O HETATM 2151 O3P PTR B 512 6.983 -8.753 3.722 1.00 0.00 O HETATM 0 HE2 PTR B 512 8.199 -9.927 -0.505 1.00 0.00 H new HETATM 0 HE1 PTR B 512 9.092 -6.104 1.189 1.00 0.00 H new HETATM 0 HD2 PTR B 512 9.955 -9.587 -2.201 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.838 -5.760 -0.500 1.00 0.00 H new HETATM 0 HB3 PTR B 512 11.125 -7.319 -3.498 1.00 0.00 H new HETATM 0 HB2 PTR B 512 12.195 -8.373 -2.595 1.00 0.00 H new HETATM 0 HA PTR B 512 12.934 -6.345 -1.261 1.00 0.00 H new ATOM 2161 N PHE B 513 13.659 -5.569 -4.319 1.00 0.00 N ATOM 2162 CA PHE B 513 14.740 -5.494 -5.290 1.00 0.00 C ATOM 2163 C PHE B 513 15.929 -4.745 -4.704 1.00 0.00 C ATOM 2164 O PHE B 513 17.069 -5.200 -4.802 1.00 0.00 O ATOM 2165 CB PHE B 513 14.263 -4.813 -6.567 1.00 0.00 C ATOM 2166 CG PHE B 513 15.321 -4.659 -7.605 1.00 0.00 C ATOM 2167 CD1 PHE B 513 15.646 -5.732 -8.398 1.00 0.00 C ATOM 2168 CD2 PHE B 513 15.973 -3.452 -7.802 1.00 0.00 C ATOM 2169 CE1 PHE B 513 16.603 -5.620 -9.372 1.00 0.00 C ATOM 2170 CE2 PHE B 513 16.941 -3.330 -8.779 1.00 0.00 C ATOM 2171 CZ PHE B 513 17.257 -4.419 -9.567 1.00 0.00 C ATOM 0 H PHE B 513 12.856 -4.979 -4.537 1.00 0.00 H new ATOM 0 HA PHE B 513 15.054 -6.509 -5.535 1.00 0.00 H new ATOM 0 HB2 PHE B 513 13.438 -5.389 -6.987 1.00 0.00 H new ATOM 0 HB3 PHE B 513 13.869 -3.828 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE B 513 15.141 -6.676 -8.252 1.00 0.00 H new ATOM 0 HD2 PHE B 513 15.722 -2.601 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE B 513 16.847 -6.473 -9.989 1.00 0.00 H new ATOM 0 HE2 PHE B 513 17.448 -2.388 -8.926 1.00 0.00 H new ATOM 0 HZ PHE B 513 18.013 -4.332 -10.333 1.00 0.00 H new ATOM 2181 N GLY B 514 15.656 -3.602 -4.092 1.00 0.00 N ATOM 2182 CA GLY B 514 16.712 -2.816 -3.490 1.00 0.00 C ATOM 2183 C GLY B 514 17.234 -3.450 -2.218 1.00 0.00 C ATOM 2184 O GLY B 514 18.430 -3.729 -2.097 1.00 0.00 O ATOM 0 H GLY B 514 14.721 -3.205 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY B 514 17.530 -2.702 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY B 514 16.339 -1.815 -3.270 1.00 0.00 H new ATOM 2188 N ILE B 515 16.332 -3.699 -1.281 1.00 0.00 N ATOM 2189 CA ILE B 515 16.699 -4.290 -0.006 1.00 0.00 C ATOM 2190 C ILE B 515 16.744 -5.809 -0.148 1.00 0.00 C ATOM 2191 O ILE B 515 15.699 -6.472 0.035 1.00 0.00 O ATOM 2192 CB ILE B 515 15.718 -3.904 1.138 1.00 0.00 C ATOM 2193 CG1 ILE B 515 15.655 -2.383 1.363 1.00 0.00 C ATOM 2194 CG2 ILE B 515 16.123 -4.586 2.439 1.00 0.00 C ATOM 2195 CD1 ILE B 515 14.902 -1.613 0.298 1.00 0.00 C ATOM 2196 OXT ILE B 515 17.824 -6.340 -0.466 1.00 0.00 O ATOM 0 H ILE B 515 15.337 -3.499 -1.382 1.00 0.00 H new ATOM 0 HA ILE B 515 17.680 -3.899 0.265 1.00 0.00 H new ATOM 0 HB ILE B 515 14.728 -4.243 0.832 1.00 0.00 H new ATOM 0 HG12 ILE B 515 15.187 -2.192 2.329 1.00 0.00 H new ATOM 0 HG13 ILE B 515 16.672 -1.996 1.420 1.00 0.00 H new ATOM 0 HG21 ILE B 515 15.426 -4.305 3.229 1.00 0.00 H new ATOM 0 HG22 ILE B 515 16.103 -5.667 2.305 1.00 0.00 H new ATOM 0 HG23 ILE B 515 17.130 -4.274 2.715 1.00 0.00 H new ATOM 0 HD11 ILE B 515 14.911 -0.551 0.542 1.00 0.00 H new ATOM 0 HD12 ILE B 515 15.380 -1.767 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE B 515 13.872 -1.966 0.254 1.00 0.00 H new TER 2208 ILE B 515