USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1091 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 30:sc= -0.491 USER MOD Set 1.2: A 45 THR OG1 : rot 166:sc= 0.856 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0233 F(o=-0.6,f=-0.023) USER MOD Single : A 6 GLN :FLIP amide:sc= 0.678 F(o=-0.49,f=0.68) USER MOD Single : A 7 SER OG : rot -117:sc= 0.103 USER MOD Single : A 14 ASN : amide:sc= 0.324 K(o=0.32,f=-5.6!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 0.165 (180deg=-0.149) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 21 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-5.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.037 X(o=-0.037,f=0.00024) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 31 CYS SG : rot 33:sc= -1.27 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.46) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 59 THR OG1 : rot -22:sc= 0.456! USER MOD Single : A 60 THR OG1 : rot 7:sc= 0.116! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.732 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -42:sc= 0.17 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -1.62 (180deg=-1.83) USER MOD Single : A 71 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.76) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0598 X(o=0.06,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 67:sc= 1.19 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.537 F(o=-1.7,f=-0.54) USER MOD Single : A 96 SER OG : rot 180:sc= -0.342 USER MOD Single : A 97 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-5.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -38:sc= 0.0627 USER MOD Single : A 118 HIS : +bothHN:sc= -1.34 K(o=-1.3,f=-4.1!) USER MOD Single : A 125 THR OG1 : rot -53:sc= -5.09! USER MOD Single : A 126 MET CE :methyl -118:sc= -2.11 (180deg=-2.6) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.117 5.391 25.844 1.00 0.00 N ATOM 2 CA GLY A 1 13.552 5.993 24.552 1.00 0.00 C ATOM 3 C GLY A 1 12.408 6.150 23.568 1.00 0.00 C ATOM 4 O GLY A 1 11.725 7.175 23.566 1.00 0.00 O ATOM 0 H1 GLY A 1 13.935 5.306 26.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.397 5.999 26.285 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.714 4.448 25.670 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.999 6.969 24.742 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.326 5.368 24.107 1.00 0.00 H new ATOM 10 N PRO A 2 12.170 5.142 22.711 1.00 0.00 N ATOM 11 CA PRO A 2 11.092 5.187 21.720 1.00 0.00 C ATOM 12 C PRO A 2 9.712 5.066 22.358 1.00 0.00 C ATOM 13 O PRO A 2 9.592 4.805 23.555 1.00 0.00 O ATOM 14 CB PRO A 2 11.377 3.975 20.831 1.00 0.00 C ATOM 15 CG PRO A 2 12.120 3.029 21.709 1.00 0.00 C ATOM 16 CD PRO A 2 12.935 3.882 22.642 1.00 0.00 C ATOM 0 HA PRO A 2 11.074 6.134 21.181 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.454 3.530 20.461 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.969 4.254 19.959 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.433 2.390 22.264 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.761 2.372 21.121 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.036 3.419 23.624 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.943 4.044 22.260 1.00 0.00 H new ATOM 24 N TYR A 3 8.674 5.254 21.550 1.00 0.00 N ATOM 25 CA TYR A 3 7.301 5.165 22.036 1.00 0.00 C ATOM 26 C TYR A 3 6.328 4.968 20.877 1.00 0.00 C ATOM 27 O TYR A 3 5.444 4.112 20.934 1.00 0.00 O ATOM 28 CB TYR A 3 6.932 6.424 22.823 1.00 0.00 C ATOM 29 CG TYR A 3 6.852 6.202 24.316 1.00 0.00 C ATOM 30 CD1 TYR A 3 7.970 6.371 25.123 1.00 0.00 C ATOM 31 CD2 TYR A 3 5.658 5.825 24.918 1.00 0.00 C ATOM 32 CE1 TYR A 3 7.901 6.169 26.489 1.00 0.00 C ATOM 33 CE2 TYR A 3 5.581 5.622 26.283 1.00 0.00 C ATOM 34 CZ TYR A 3 6.705 5.795 27.063 1.00 0.00 C ATOM 35 OH TYR A 3 6.632 5.594 28.422 1.00 0.00 O ATOM 0 H TYR A 3 8.757 5.469 20.556 1.00 0.00 H new ATOM 0 HA TYR A 3 7.230 4.301 22.697 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.670 7.200 22.618 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.971 6.796 22.467 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.908 6.665 24.676 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.776 5.688 24.310 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.779 6.304 27.103 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.645 5.329 26.736 1.00 0.00 H new ATOM 0 HH TYR A 3 5.719 5.336 28.666 1.00 0.00 H new ATOM 45 N GLY A 4 6.496 5.766 19.828 1.00 0.00 N ATOM 46 CA GLY A 4 5.626 5.663 18.672 1.00 0.00 C ATOM 47 C GLY A 4 5.814 4.361 17.919 1.00 0.00 C ATOM 48 O GLY A 4 6.942 3.938 17.671 1.00 0.00 O ATOM 0 H GLY A 4 7.219 6.482 19.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.588 5.746 18.994 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.819 6.499 18.000 1.00 0.00 H new ATOM 52 N HIS A 5 4.705 3.725 17.557 1.00 0.00 N ATOM 53 CA HIS A 5 4.752 2.462 16.829 1.00 0.00 C ATOM 54 C HIS A 5 4.289 2.646 15.387 1.00 0.00 C ATOM 55 O HIS A 5 3.456 3.504 15.097 1.00 0.00 O ATOM 56 CB HIS A 5 3.882 1.415 17.526 1.00 0.00 C ATOM 57 CG HIS A 5 4.325 0.007 17.276 1.00 0.00 C ATOM 58 ND1 HIS A 5 4.381 -0.714 16.131 1.00 0.00 N flip ATOM 59 CD2 HIS A 5 4.778 -0.828 18.276 1.00 0.00 C flip ATOM 60 CE1 HIS A 5 4.864 -1.958 16.458 1.00 0.00 C flip ATOM 61 NE2 HIS A 5 5.095 -2.002 17.757 1.00 0.00 N flip ATOM 0 H HIS A 5 3.763 4.063 17.756 1.00 0.00 H new ATOM 0 HA HIS A 5 5.786 2.117 16.818 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.889 1.604 18.599 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.851 1.528 17.189 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.861 -0.564 19.320 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.028 -2.769 15.764 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.456 -2.805 18.272 1.00 0.00 H new ATOM 70 N GLN A 6 4.835 1.834 14.487 1.00 0.00 N ATOM 71 CA GLN A 6 4.477 1.906 13.076 1.00 0.00 C ATOM 72 C GLN A 6 4.918 0.645 12.338 1.00 0.00 C ATOM 73 O GLN A 6 5.966 0.074 12.637 1.00 0.00 O ATOM 74 CB GLN A 6 5.115 3.138 12.429 1.00 0.00 C ATOM 75 CG GLN A 6 4.249 3.776 11.354 1.00 0.00 C ATOM 76 CD GLN A 6 3.399 4.912 11.888 1.00 0.00 C ATOM 77 OE1 GLN A 6 3.320 6.000 11.130 1.00 0.00 O flip ATOM 78 NE2 GLN A 6 2.820 4.815 12.971 1.00 0.00 N flip ATOM 0 H GLN A 6 5.527 1.119 14.710 1.00 0.00 H new ATOM 0 HA GLN A 6 3.392 1.987 13.005 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.324 3.877 13.202 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.072 2.854 11.992 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.887 4.150 10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.601 3.017 10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.908 3.961 13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.253 5.589 13.317 1.00 0.00 H new ATOM 87 N SER A 7 4.109 0.216 11.375 1.00 0.00 N ATOM 88 CA SER A 7 4.414 -0.978 10.595 1.00 0.00 C ATOM 89 C SER A 7 4.936 -0.606 9.212 1.00 0.00 C ATOM 90 O SER A 7 5.919 -1.174 8.735 1.00 0.00 O ATOM 91 CB SER A 7 3.170 -1.859 10.464 1.00 0.00 C ATOM 92 OG SER A 7 3.378 -2.898 9.522 1.00 0.00 O ATOM 0 H SER A 7 3.237 0.677 11.116 1.00 0.00 H new ATOM 0 HA SER A 7 5.191 -1.535 11.119 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.921 -2.288 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.320 -1.250 10.157 1.00 0.00 H new ATOM 0 HG SER A 7 2.753 -2.792 8.775 1.00 0.00 H new ATOM 98 N GLY A 8 4.272 0.350 8.571 1.00 0.00 N ATOM 99 CA GLY A 8 4.684 0.780 7.248 1.00 0.00 C ATOM 100 C GLY A 8 4.566 -0.323 6.214 1.00 0.00 C ATOM 101 O GLY A 8 5.240 -0.289 5.184 1.00 0.00 O ATOM 0 H GLY A 8 3.456 0.835 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.074 1.629 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.717 1.127 7.288 1.00 0.00 H new ATOM 105 N ALA A 9 3.710 -1.301 6.486 1.00 0.00 N ATOM 106 CA ALA A 9 3.507 -2.416 5.569 1.00 0.00 C ATOM 107 C ALA A 9 2.252 -3.201 5.933 1.00 0.00 C ATOM 108 O ALA A 9 1.564 -2.877 6.902 1.00 0.00 O ATOM 109 CB ALA A 9 4.725 -3.330 5.571 1.00 0.00 C ATOM 0 H ALA A 9 3.145 -1.344 7.334 1.00 0.00 H new ATOM 0 HA ALA A 9 3.373 -2.012 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.560 -4.158 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.603 -2.766 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.885 -3.721 6.576 1.00 0.00 H new ATOM 115 N VAL A 10 1.957 -4.234 5.151 1.00 0.00 N ATOM 116 CA VAL A 10 0.783 -5.064 5.391 1.00 0.00 C ATOM 117 C VAL A 10 1.176 -6.520 5.616 1.00 0.00 C ATOM 118 O VAL A 10 1.592 -7.210 4.684 1.00 0.00 O ATOM 119 CB VAL A 10 -0.208 -4.984 4.212 1.00 0.00 C ATOM 120 CG1 VAL A 10 -1.454 -5.812 4.495 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.576 -3.537 3.923 1.00 0.00 C ATOM 0 H VAL A 10 2.515 -4.516 4.345 1.00 0.00 H new ATOM 0 HA VAL A 10 0.300 -4.680 6.289 1.00 0.00 H new ATOM 0 HB VAL A 10 0.278 -5.398 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.138 -5.740 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.172 -6.854 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.945 -5.435 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.276 -3.499 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.040 -3.096 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.324 -2.977 3.668 1.00 0.00 H new ATOM 131 N TYR A 11 1.039 -6.985 6.854 1.00 0.00 N ATOM 132 CA TYR A 11 1.380 -8.362 7.189 1.00 0.00 C ATOM 133 C TYR A 11 0.143 -9.253 7.104 1.00 0.00 C ATOM 134 O TYR A 11 -0.806 -9.083 7.867 1.00 0.00 O ATOM 135 CB TYR A 11 1.959 -8.413 8.606 1.00 0.00 C ATOM 136 CG TYR A 11 3.234 -9.215 8.729 1.00 0.00 C ATOM 137 CD1 TYR A 11 4.471 -8.636 8.471 1.00 0.00 C ATOM 138 CD2 TYR A 11 3.201 -10.546 9.118 1.00 0.00 C ATOM 139 CE1 TYR A 11 5.638 -9.365 8.596 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.363 -11.281 9.244 1.00 0.00 C ATOM 141 CZ TYR A 11 5.578 -10.686 8.984 1.00 0.00 C ATOM 142 OH TYR A 11 6.739 -11.416 9.109 1.00 0.00 O ATOM 0 H TYR A 11 0.696 -6.431 7.638 1.00 0.00 H new ATOM 0 HA TYR A 11 2.121 -8.727 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.150 -7.395 8.945 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.211 -8.837 9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.521 -7.601 8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.251 -11.015 9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.592 -8.902 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.320 -12.317 9.545 1.00 0.00 H new ATOM 0 HH TYR A 11 7.475 -10.820 9.362 1.00 0.00 H new ATOM 152 N VAL A 12 0.162 -10.208 6.177 1.00 0.00 N ATOM 153 CA VAL A 12 -0.959 -11.125 6.008 1.00 0.00 C ATOM 154 C VAL A 12 -0.534 -12.580 6.189 1.00 0.00 C ATOM 155 O VAL A 12 0.152 -13.146 5.339 1.00 0.00 O ATOM 156 CB VAL A 12 -1.632 -10.943 4.633 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.924 -11.742 4.562 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.891 -9.468 4.369 1.00 0.00 C ATOM 0 H VAL A 12 0.938 -10.366 5.535 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.682 -10.881 6.786 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.961 -11.319 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.385 -11.602 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.707 -12.799 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.607 -11.398 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.367 -9.351 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.546 -9.069 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.946 -8.925 4.379 1.00 0.00 H new ATOM 168 N GLY A 13 -0.957 -13.185 7.295 1.00 0.00 N ATOM 169 CA GLY A 13 -0.620 -14.574 7.563 1.00 0.00 C ATOM 170 C GLY A 13 0.856 -14.880 7.374 1.00 0.00 C ATOM 171 O GLY A 13 1.713 -14.242 7.985 1.00 0.00 O ATOM 0 H GLY A 13 -1.528 -12.738 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.907 -14.820 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.205 -15.216 6.904 1.00 0.00 H new ATOM 175 N ASN A 14 1.149 -15.867 6.530 1.00 0.00 N ATOM 176 CA ASN A 14 2.528 -16.268 6.263 1.00 0.00 C ATOM 177 C ASN A 14 3.118 -15.507 5.076 1.00 0.00 C ATOM 178 O ASN A 14 4.173 -15.870 4.562 1.00 0.00 O ATOM 179 CB ASN A 14 2.596 -17.773 5.998 1.00 0.00 C ATOM 180 CG ASN A 14 1.740 -18.190 4.818 1.00 0.00 C ATOM 181 OD1 ASN A 14 0.825 -17.472 4.415 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.034 -19.356 4.255 1.00 0.00 N ATOM 0 H ASN A 14 0.449 -16.404 6.019 1.00 0.00 H new ATOM 0 HA ASN A 14 3.119 -16.025 7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.631 -18.060 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.270 -18.311 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.493 -19.688 3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.801 -19.920 4.621 1.00 0.00 H new ATOM 189 N TYR A 15 2.436 -14.448 4.652 1.00 0.00 N ATOM 190 CA TYR A 15 2.896 -13.628 3.533 1.00 0.00 C ATOM 191 C TYR A 15 2.872 -12.152 3.922 1.00 0.00 C ATOM 192 O TYR A 15 1.850 -11.646 4.385 1.00 0.00 O ATOM 193 CB TYR A 15 2.001 -13.835 2.311 1.00 0.00 C ATOM 194 CG TYR A 15 2.256 -15.111 1.541 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.523 -15.678 1.465 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.216 -15.747 0.883 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.738 -16.842 0.756 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.421 -16.911 0.172 1.00 0.00 C ATOM 199 CZ TYR A 15 2.685 -17.457 0.111 1.00 0.00 C ATOM 200 OH TYR A 15 2.897 -18.617 -0.596 1.00 0.00 O ATOM 0 H TYR A 15 1.559 -14.135 5.068 1.00 0.00 H new ATOM 0 HA TYR A 15 3.914 -13.929 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.961 -13.826 2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.132 -12.989 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.351 -15.201 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.224 -15.323 0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.728 -17.271 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.596 -17.391 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 15 2.052 -18.920 -0.988 1.00 0.00 H new ATOM 210 N LYS A 16 3.987 -11.461 3.729 1.00 0.00 N ATOM 211 CA LYS A 16 4.064 -10.043 4.062 1.00 0.00 C ATOM 212 C LYS A 16 4.307 -9.207 2.808 1.00 0.00 C ATOM 213 O LYS A 16 5.359 -9.313 2.180 1.00 0.00 O ATOM 214 CB LYS A 16 5.181 -9.796 5.079 1.00 0.00 C ATOM 215 CG LYS A 16 5.432 -8.325 5.369 1.00 0.00 C ATOM 216 CD LYS A 16 6.507 -7.753 4.458 1.00 0.00 C ATOM 217 CE LYS A 16 7.449 -6.832 5.217 1.00 0.00 C ATOM 218 NZ LYS A 16 8.275 -7.575 6.209 1.00 0.00 N ATOM 0 H LYS A 16 4.846 -11.855 3.346 1.00 0.00 H new ATOM 0 HA LYS A 16 3.112 -9.743 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.930 -10.303 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.102 -10.246 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.507 -7.764 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.733 -8.204 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.076 -8.567 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.039 -7.203 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.103 -6.320 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.870 -6.064 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.415 -6.986 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.789 -8.455 6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.199 -7.803 5.790 1.00 0.00 H new ATOM 232 N VAL A 17 3.334 -8.371 2.450 1.00 0.00 N ATOM 233 CA VAL A 17 3.473 -7.524 1.271 1.00 0.00 C ATOM 234 C VAL A 17 3.860 -6.100 1.669 1.00 0.00 C ATOM 235 O VAL A 17 3.157 -5.440 2.434 1.00 0.00 O ATOM 236 CB VAL A 17 2.185 -7.514 0.396 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.374 -8.784 0.603 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.316 -6.291 0.667 1.00 0.00 C ATOM 0 H VAL A 17 2.453 -8.264 2.953 1.00 0.00 H new ATOM 0 HA VAL A 17 4.272 -7.951 0.665 1.00 0.00 H new ATOM 0 HB VAL A 17 2.512 -7.468 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.480 -8.751 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.976 -9.649 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.083 -8.863 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.429 -6.327 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.014 -6.284 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.882 -5.386 0.447 1.00 0.00 H new ATOM 248 N VAL A 18 4.991 -5.638 1.145 1.00 0.00 N ATOM 249 CA VAL A 18 5.483 -4.298 1.438 1.00 0.00 C ATOM 250 C VAL A 18 5.978 -3.604 0.172 1.00 0.00 C ATOM 251 O VAL A 18 6.268 -4.256 -0.831 1.00 0.00 O ATOM 252 CB VAL A 18 6.625 -4.337 2.477 1.00 0.00 C ATOM 253 CG1 VAL A 18 7.804 -5.137 1.951 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.059 -2.931 2.855 1.00 0.00 C ATOM 0 H VAL A 18 5.585 -6.175 0.513 1.00 0.00 H new ATOM 0 HA VAL A 18 4.647 -3.733 1.850 1.00 0.00 H new ATOM 0 HB VAL A 18 6.250 -4.830 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.597 -5.151 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.486 -6.158 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.177 -4.677 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.864 -2.983 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.411 -2.408 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.214 -2.392 3.283 1.00 0.00 H new ATOM 264 N ASN A 19 6.081 -2.280 0.227 1.00 0.00 N ATOM 265 CA ASN A 19 6.554 -1.503 -0.913 1.00 0.00 C ATOM 266 C ASN A 19 7.968 -1.927 -1.301 1.00 0.00 C ATOM 267 O ASN A 19 8.798 -2.210 -0.438 1.00 0.00 O ATOM 268 CB ASN A 19 6.527 -0.009 -0.586 1.00 0.00 C ATOM 269 CG ASN A 19 6.366 0.851 -1.825 1.00 0.00 C ATOM 270 OD1 ASN A 19 7.261 0.921 -2.667 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.220 1.511 -1.940 1.00 0.00 N ATOM 0 H ASN A 19 5.844 -1.723 1.048 1.00 0.00 H new ATOM 0 HA ASN A 19 5.889 -1.692 -1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.708 0.195 0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.450 0.265 -0.074 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.053 2.106 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.506 1.423 -1.217 1.00 0.00 H new ATOM 278 N ARG A 20 8.237 -1.972 -2.603 1.00 0.00 N ATOM 279 CA ARG A 20 9.551 -2.367 -3.097 1.00 0.00 C ATOM 280 C ARG A 20 10.641 -1.478 -2.509 1.00 0.00 C ATOM 281 O ARG A 20 11.663 -1.967 -2.027 1.00 0.00 O ATOM 282 CB ARG A 20 9.588 -2.296 -4.625 1.00 0.00 C ATOM 283 CG ARG A 20 10.644 -3.193 -5.250 1.00 0.00 C ATOM 284 CD ARG A 20 10.964 -2.769 -6.674 1.00 0.00 C ATOM 285 NE ARG A 20 11.370 -3.900 -7.505 1.00 0.00 N ATOM 286 CZ ARG A 20 11.823 -3.781 -8.750 1.00 0.00 C ATOM 287 NH1 ARG A 20 11.931 -2.584 -9.312 1.00 0.00 N ATOM 288 NH2 ARG A 20 12.170 -4.862 -9.435 1.00 0.00 N ATOM 0 H ARG A 20 7.563 -1.740 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 20 9.736 -3.395 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.609 -2.573 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.773 -1.265 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.552 -3.162 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.294 -4.225 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.089 -2.291 -7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.761 -2.025 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 20 11.302 -4.837 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.666 -1.749 -8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.279 -2.498 -10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.090 -5.784 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.517 -4.771 -10.390 1.00 0.00 H new ATOM 302 N HIS A 21 10.414 -0.172 -2.541 1.00 0.00 N ATOM 303 CA HIS A 21 11.378 0.779 -2.000 1.00 0.00 C ATOM 304 C HIS A 21 11.455 0.680 -0.477 1.00 0.00 C ATOM 305 O HIS A 21 12.323 1.290 0.148 1.00 0.00 O ATOM 306 CB HIS A 21 11.005 2.205 -2.410 1.00 0.00 C ATOM 307 CG HIS A 21 12.157 3.160 -2.361 1.00 0.00 C ATOM 308 ND1 HIS A 21 12.734 3.585 -1.183 1.00 0.00 N ATOM 309 CD2 HIS A 21 12.844 3.771 -3.355 1.00 0.00 C ATOM 310 CE1 HIS A 21 13.724 4.416 -1.454 1.00 0.00 C ATOM 311 NE2 HIS A 21 13.812 4.546 -2.765 1.00 0.00 N ATOM 0 H HIS A 21 9.574 0.253 -2.934 1.00 0.00 H new ATOM 0 HA HIS A 21 12.357 0.532 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.599 2.189 -3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.214 2.568 -1.754 1.00 0.00 H new ATOM 0 HD1 HIS A 21 12.442 3.302 -0.248 1.00 0.00 H new ATOM 0 HD2 HIS A 21 12.664 3.668 -4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.355 4.906 -0.727 1.00 0.00 H new ATOM 320 N LEU A 22 10.543 -0.086 0.121 1.00 0.00 N ATOM 321 CA LEU A 22 10.515 -0.251 1.569 1.00 0.00 C ATOM 322 C LEU A 22 10.916 -1.666 1.986 1.00 0.00 C ATOM 323 O LEU A 22 11.141 -1.924 3.169 1.00 0.00 O ATOM 324 CB LEU A 22 9.123 0.071 2.110 1.00 0.00 C ATOM 325 CG LEU A 22 9.071 0.412 3.600 1.00 0.00 C ATOM 326 CD1 LEU A 22 9.778 1.731 3.871 1.00 0.00 C ATOM 327 CD2 LEU A 22 7.629 0.470 4.082 1.00 0.00 C ATOM 0 H LEU A 22 9.816 -0.600 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 22 11.241 0.443 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.716 0.910 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.471 -0.783 1.925 1.00 0.00 H new ATOM 0 HG LEU A 22 9.588 -0.373 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.731 1.957 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.821 1.655 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.290 2.527 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.610 0.714 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.089 1.235 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.153 -0.498 3.923 1.00 0.00 H new ATOM 339 N ALA A 23 11.008 -2.582 1.024 1.00 0.00 N ATOM 340 CA ALA A 23 11.382 -3.953 1.325 1.00 0.00 C ATOM 341 C ALA A 23 12.865 -4.049 1.656 1.00 0.00 C ATOM 342 O ALA A 23 13.672 -3.257 1.169 1.00 0.00 O ATOM 343 CB ALA A 23 11.031 -4.865 0.159 1.00 0.00 C ATOM 0 H ALA A 23 10.829 -2.397 0.037 1.00 0.00 H new ATOM 0 HA ALA A 23 10.820 -4.279 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.317 -5.889 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.958 -4.822 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.566 -4.538 -0.732 1.00 0.00 H new ATOM 349 N THR A 24 13.218 -5.017 2.492 1.00 0.00 N ATOM 350 CA THR A 24 14.606 -5.214 2.885 1.00 0.00 C ATOM 351 C THR A 24 15.204 -6.408 2.148 1.00 0.00 C ATOM 352 O THR A 24 14.485 -7.174 1.504 1.00 0.00 O ATOM 353 CB THR A 24 14.707 -5.429 4.396 1.00 0.00 C ATOM 354 OG1 THR A 24 14.011 -6.601 4.784 1.00 0.00 O ATOM 355 CG2 THR A 24 14.148 -4.276 5.201 1.00 0.00 C ATOM 0 H THR A 24 12.562 -5.677 2.910 1.00 0.00 H new ATOM 0 HA THR A 24 15.168 -4.319 2.618 1.00 0.00 H new ATOM 0 HB THR A 24 15.773 -5.516 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.089 -6.722 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.250 -4.492 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.696 -3.365 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.094 -4.140 4.958 1.00 0.00 H new ATOM 363 N HIS A 25 16.519 -6.566 2.246 1.00 0.00 N ATOM 364 CA HIS A 25 17.205 -7.674 1.589 1.00 0.00 C ATOM 365 C HIS A 25 16.585 -9.006 1.999 1.00 0.00 C ATOM 366 O HIS A 25 16.593 -9.970 1.232 1.00 0.00 O ATOM 367 CB HIS A 25 18.694 -7.659 1.939 1.00 0.00 C ATOM 368 CG HIS A 25 19.570 -8.201 0.852 1.00 0.00 C ATOM 369 ND1 HIS A 25 20.861 -7.766 0.637 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.334 -9.151 -0.085 1.00 0.00 C ATOM 371 CE1 HIS A 25 21.380 -8.423 -0.385 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.475 -9.269 -0.840 1.00 0.00 N ATOM 0 H HIS A 25 17.131 -5.943 2.773 1.00 0.00 H new ATOM 0 HA HIS A 25 17.095 -7.555 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 25 18.996 -6.636 2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.852 -8.242 2.846 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.419 -9.711 -0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 25 22.376 -8.290 -0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.602 -9.907 -1.625 1.00 0.00 H new ATOM 381 N VAL A 26 16.049 -9.048 3.213 1.00 0.00 N ATOM 382 CA VAL A 26 15.422 -10.252 3.738 1.00 0.00 C ATOM 383 C VAL A 26 14.064 -10.502 3.088 1.00 0.00 C ATOM 384 O VAL A 26 13.648 -11.650 2.922 1.00 0.00 O ATOM 385 CB VAL A 26 15.238 -10.171 5.264 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.769 -11.507 5.819 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.531 -9.731 5.935 1.00 0.00 C ATOM 0 H VAL A 26 16.037 -8.256 3.855 1.00 0.00 H new ATOM 0 HA VAL A 26 16.091 -11.080 3.501 1.00 0.00 H new ATOM 0 HB VAL A 26 14.472 -9.426 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.645 -11.429 6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.816 -11.776 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.509 -12.275 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.382 -9.679 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.320 -10.450 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.819 -8.748 5.561 1.00 0.00 H new ATOM 397 N ASP A 27 13.374 -9.425 2.714 1.00 0.00 N ATOM 398 CA ASP A 27 12.072 -9.545 2.084 1.00 0.00 C ATOM 399 C ASP A 27 12.229 -10.177 0.718 1.00 0.00 C ATOM 400 O ASP A 27 11.472 -11.070 0.340 1.00 0.00 O ATOM 401 CB ASP A 27 11.406 -8.168 1.958 1.00 0.00 C ATOM 402 CG ASP A 27 10.224 -8.011 2.895 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.379 -8.296 4.100 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.142 -7.604 2.421 1.00 0.00 O ATOM 0 H ASP A 27 13.698 -8.466 2.838 1.00 0.00 H new ATOM 0 HA ASP A 27 11.435 -10.177 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.140 -7.391 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.074 -8.020 0.930 1.00 0.00 H new ATOM 409 N TRP A 28 13.232 -9.713 -0.016 1.00 0.00 N ATOM 410 CA TRP A 28 13.504 -10.239 -1.337 1.00 0.00 C ATOM 411 C TRP A 28 14.144 -11.620 -1.260 1.00 0.00 C ATOM 412 O TRP A 28 13.939 -12.461 -2.135 1.00 0.00 O ATOM 413 CB TRP A 28 14.377 -9.272 -2.136 1.00 0.00 C ATOM 414 CG TRP A 28 13.629 -8.043 -2.542 1.00 0.00 C ATOM 415 CD1 TRP A 28 12.639 -7.957 -3.478 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.797 -6.726 -2.013 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.178 -6.666 -3.558 1.00 0.00 N ATOM 418 CE2 TRP A 28 12.873 -5.891 -2.668 1.00 0.00 C ATOM 419 CE3 TRP A 28 14.639 -6.173 -1.048 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.767 -4.533 -2.385 1.00 0.00 C ATOM 421 CZ3 TRP A 28 14.534 -4.826 -0.770 1.00 0.00 C ATOM 422 CH2 TRP A 28 13.603 -4.019 -1.434 1.00 0.00 C ATOM 0 H TRP A 28 13.867 -8.974 0.285 1.00 0.00 H new ATOM 0 HA TRP A 28 12.553 -10.346 -1.858 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.243 -8.988 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.755 -9.776 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.272 -8.783 -4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.438 -6.338 -4.179 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.359 -6.788 -0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.051 -3.908 -2.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.182 -4.386 -0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.544 -2.969 -1.190 1.00 0.00 H new ATOM 433 N GLN A 29 14.914 -11.851 -0.200 1.00 0.00 N ATOM 434 CA GLN A 29 15.578 -13.135 -0.005 1.00 0.00 C ATOM 435 C GLN A 29 14.554 -14.263 0.038 1.00 0.00 C ATOM 436 O GLN A 29 14.744 -15.314 -0.575 1.00 0.00 O ATOM 437 CB GLN A 29 16.394 -13.121 1.290 1.00 0.00 C ATOM 438 CG GLN A 29 17.801 -12.571 1.116 1.00 0.00 C ATOM 439 CD GLN A 29 18.819 -13.656 0.825 1.00 0.00 C ATOM 440 OE1 GLN A 29 19.132 -14.477 1.686 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.342 -13.664 -0.395 1.00 0.00 N ATOM 0 H GLN A 29 15.093 -11.167 0.535 1.00 0.00 H new ATOM 0 HA GLN A 29 16.252 -13.304 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.868 -12.523 2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.455 -14.136 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.806 -11.846 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.093 -12.037 2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.053 -12.964 -1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.032 -14.370 -0.649 1.00 0.00 H new ATOM 450 N ASN A 30 13.462 -14.031 0.760 1.00 0.00 N ATOM 451 CA ASN A 30 12.397 -15.021 0.877 1.00 0.00 C ATOM 452 C ASN A 30 11.127 -14.518 0.200 1.00 0.00 C ATOM 453 O ASN A 30 10.016 -14.808 0.642 1.00 0.00 O ATOM 454 CB ASN A 30 12.117 -15.331 2.349 1.00 0.00 C ATOM 455 CG ASN A 30 13.324 -15.915 3.057 1.00 0.00 C ATOM 456 OD1 ASN A 30 14.181 -16.541 2.433 1.00 0.00 O ATOM 457 ND2 ASN A 30 13.397 -15.712 4.368 1.00 0.00 N ATOM 0 H ASN A 30 13.291 -13.166 1.273 1.00 0.00 H new ATOM 0 HA ASN A 30 12.721 -15.935 0.380 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.808 -14.418 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.285 -16.031 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.186 -16.081 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.664 -15.187 4.844 1.00 0.00 H new ATOM 464 N CYS A 31 11.304 -13.755 -0.875 1.00 0.00 N ATOM 465 CA CYS A 31 10.178 -13.200 -1.617 1.00 0.00 C ATOM 466 C CYS A 31 9.569 -14.236 -2.555 1.00 0.00 C ATOM 467 O CYS A 31 10.280 -14.933 -3.279 1.00 0.00 O ATOM 468 CB CYS A 31 10.627 -11.971 -2.415 1.00 0.00 C ATOM 469 SG CYS A 31 9.379 -11.316 -3.549 1.00 0.00 S ATOM 0 H CYS A 31 12.219 -13.507 -1.252 1.00 0.00 H new ATOM 0 HA CYS A 31 9.415 -12.904 -0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.913 -11.185 -1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.518 -12.230 -2.986 1.00 0.00 H new ATOM 0 HG CYS A 31 8.196 -11.493 -3.041 1.00 0.00 H new ATOM 475 N VAL A 32 8.243 -14.319 -2.542 1.00 0.00 N ATOM 476 CA VAL A 32 7.523 -15.252 -3.395 1.00 0.00 C ATOM 477 C VAL A 32 7.029 -14.554 -4.657 1.00 0.00 C ATOM 478 O VAL A 32 7.073 -15.120 -5.750 1.00 0.00 O ATOM 479 CB VAL A 32 6.323 -15.879 -2.660 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.794 -16.843 -1.585 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.441 -14.799 -2.055 1.00 0.00 C ATOM 0 H VAL A 32 7.644 -13.747 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 32 8.220 -16.045 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 32 5.734 -16.438 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.930 -17.274 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.381 -17.639 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.409 -16.308 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.599 -15.263 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.022 -14.211 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.069 -14.148 -2.846 1.00 0.00 H new ATOM 491 N TRP A 33 6.557 -13.318 -4.501 1.00 0.00 N ATOM 492 CA TRP A 33 6.057 -12.543 -5.636 1.00 0.00 C ATOM 493 C TRP A 33 6.501 -11.082 -5.536 1.00 0.00 C ATOM 494 O TRP A 33 6.732 -10.569 -4.444 1.00 0.00 O ATOM 495 CB TRP A 33 4.524 -12.639 -5.712 1.00 0.00 C ATOM 496 CG TRP A 33 3.873 -11.463 -6.382 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.433 -11.385 -7.673 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.597 -10.194 -5.786 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.900 -10.139 -7.913 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.991 -9.390 -6.768 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.805 -9.662 -4.514 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.593 -8.079 -6.511 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.411 -8.364 -4.262 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.812 -7.586 -5.257 1.00 0.00 C ATOM 0 H TRP A 33 6.510 -12.834 -3.605 1.00 0.00 H new ATOM 0 HA TRP A 33 6.478 -12.961 -6.550 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.253 -13.547 -6.250 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.125 -12.736 -4.702 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.494 -12.183 -8.398 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.502 -9.824 -8.798 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.267 -10.256 -3.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.128 -7.475 -7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.568 -7.942 -3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.516 -6.573 -5.029 1.00 0.00 H new ATOM 515 N GLU A 34 6.613 -10.420 -6.684 1.00 0.00 N ATOM 516 CA GLU A 34 7.024 -9.019 -6.719 1.00 0.00 C ATOM 517 C GLU A 34 6.620 -8.364 -8.038 1.00 0.00 C ATOM 518 O GLU A 34 7.070 -8.771 -9.110 1.00 0.00 O ATOM 519 CB GLU A 34 8.537 -8.902 -6.516 1.00 0.00 C ATOM 520 CG GLU A 34 9.062 -7.479 -6.633 1.00 0.00 C ATOM 521 CD GLU A 34 10.025 -7.305 -7.792 1.00 0.00 C ATOM 522 OE1 GLU A 34 11.060 -8.003 -7.814 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.744 -6.470 -8.677 1.00 0.00 O ATOM 0 H GLU A 34 6.426 -10.829 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 34 6.516 -8.498 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.794 -9.295 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.043 -9.528 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.222 -6.795 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.563 -7.203 -5.705 1.00 0.00 H new ATOM 530 N ASP A 35 5.769 -7.345 -7.951 1.00 0.00 N ATOM 531 CA ASP A 35 5.303 -6.629 -9.134 1.00 0.00 C ATOM 532 C ASP A 35 5.943 -5.246 -9.223 1.00 0.00 C ATOM 533 O ASP A 35 5.654 -4.363 -8.414 1.00 0.00 O ATOM 534 CB ASP A 35 3.780 -6.499 -9.110 1.00 0.00 C ATOM 535 CG ASP A 35 3.221 -6.000 -10.429 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.025 -6.828 -11.342 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.980 -4.780 -10.548 1.00 0.00 O ATOM 0 H ASP A 35 5.388 -6.996 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 35 5.598 -7.202 -10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.339 -7.468 -8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.489 -5.815 -8.313 1.00 0.00 H new ATOM 542 N TYR A 36 6.816 -5.066 -10.211 1.00 0.00 N ATOM 543 CA TYR A 36 7.500 -3.792 -10.407 1.00 0.00 C ATOM 544 C TYR A 36 6.504 -2.661 -10.648 1.00 0.00 C ATOM 545 O TYR A 36 6.605 -1.595 -10.042 1.00 0.00 O ATOM 546 CB TYR A 36 8.473 -3.888 -11.583 1.00 0.00 C ATOM 547 CG TYR A 36 7.815 -4.285 -12.885 1.00 0.00 C ATOM 548 CD1 TYR A 36 7.655 -5.623 -13.225 1.00 0.00 C ATOM 549 CD2 TYR A 36 7.353 -3.322 -13.773 1.00 0.00 C ATOM 550 CE1 TYR A 36 7.054 -5.989 -14.415 1.00 0.00 C ATOM 551 CE2 TYR A 36 6.751 -3.681 -14.964 1.00 0.00 C ATOM 552 CZ TYR A 36 6.604 -5.015 -15.281 1.00 0.00 C ATOM 553 OH TYR A 36 6.004 -5.375 -16.465 1.00 0.00 O ATOM 0 H TYR A 36 7.066 -5.787 -10.888 1.00 0.00 H new ATOM 0 HA TYR A 36 8.057 -3.568 -9.497 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.967 -2.925 -11.714 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.250 -4.614 -11.342 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.006 -6.389 -12.549 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.466 -2.276 -13.529 1.00 0.00 H new ATOM 0 HE1 TYR A 36 6.937 -7.033 -14.665 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.397 -2.920 -15.644 1.00 0.00 H new ATOM 0 HH TYR A 36 5.744 -4.569 -16.958 1.00 0.00 H new ATOM 563 N ASN A 37 5.542 -2.899 -11.535 1.00 0.00 N ATOM 564 CA ASN A 37 4.533 -1.898 -11.851 1.00 0.00 C ATOM 565 C ASN A 37 3.739 -1.518 -10.606 1.00 0.00 C ATOM 566 O ASN A 37 3.199 -0.416 -10.515 1.00 0.00 O ATOM 567 CB ASN A 37 3.586 -2.423 -12.933 1.00 0.00 C ATOM 568 CG ASN A 37 4.010 -2.001 -14.326 1.00 0.00 C ATOM 569 OD1 ASN A 37 4.153 -2.833 -15.222 1.00 0.00 O ATOM 570 ND2 ASN A 37 4.216 -0.703 -14.515 1.00 0.00 N ATOM 0 H ASN A 37 5.442 -3.776 -12.046 1.00 0.00 H new ATOM 0 HA ASN A 37 5.041 -1.008 -12.223 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.548 -3.511 -12.882 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.577 -2.059 -12.737 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.505 -0.361 -15.431 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.086 -0.048 -13.744 1.00 0.00 H new ATOM 577 N ARG A 38 3.670 -2.433 -9.647 1.00 0.00 N ATOM 578 CA ARG A 38 2.941 -2.184 -8.411 1.00 0.00 C ATOM 579 C ARG A 38 3.887 -1.795 -7.278 1.00 0.00 C ATOM 580 O ARG A 38 3.443 -1.417 -6.194 1.00 0.00 O ATOM 581 CB ARG A 38 2.137 -3.423 -8.015 1.00 0.00 C ATOM 582 CG ARG A 38 0.977 -3.123 -7.079 1.00 0.00 C ATOM 583 CD ARG A 38 0.166 -4.373 -6.784 1.00 0.00 C ATOM 584 NE ARG A 38 -0.122 -5.136 -7.998 1.00 0.00 N ATOM 585 CZ ARG A 38 -0.398 -6.438 -8.009 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.436 -7.127 -6.876 1.00 0.00 N ATOM 587 NH2 ARG A 38 -0.640 -7.053 -9.159 1.00 0.00 N ATOM 0 H ARG A 38 4.109 -3.352 -9.702 1.00 0.00 H new ATOM 0 HA ARG A 38 2.260 -1.351 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.752 -3.899 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.803 -4.140 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.358 -2.706 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.333 -2.366 -7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.712 -5.002 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.770 -4.093 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.111 -4.641 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.253 -6.659 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.648 -8.125 -6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.614 -6.528 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.852 -8.051 -9.169 1.00 0.00 H new ATOM 601 N ASP A 39 5.193 -1.895 -7.526 1.00 0.00 N ATOM 602 CA ASP A 39 6.187 -1.558 -6.513 1.00 0.00 C ATOM 603 C ASP A 39 5.877 -2.282 -5.208 1.00 0.00 C ATOM 604 O ASP A 39 6.091 -1.750 -4.118 1.00 0.00 O ATOM 605 CB ASP A 39 6.223 -0.044 -6.285 1.00 0.00 C ATOM 606 CG ASP A 39 7.492 0.591 -6.820 1.00 0.00 C ATOM 607 OD1 ASP A 39 7.855 0.304 -7.981 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.122 1.374 -6.080 1.00 0.00 O ATOM 0 H ASP A 39 5.584 -2.205 -8.416 1.00 0.00 H new ATOM 0 HA ASP A 39 7.167 -1.879 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.359 0.414 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.139 0.162 -5.218 1.00 0.00 H new ATOM 613 N LEU A 40 5.357 -3.498 -5.333 1.00 0.00 N ATOM 614 CA LEU A 40 4.998 -4.302 -4.174 1.00 0.00 C ATOM 615 C LEU A 40 5.507 -5.733 -4.323 1.00 0.00 C ATOM 616 O LEU A 40 5.612 -6.251 -5.435 1.00 0.00 O ATOM 617 CB LEU A 40 3.478 -4.300 -3.993 1.00 0.00 C ATOM 618 CG LEU A 40 2.953 -5.167 -2.848 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.085 -4.436 -1.521 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.505 -5.562 -3.103 1.00 0.00 C ATOM 0 H LEU A 40 5.175 -3.949 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 40 5.467 -3.866 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.150 -3.274 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.018 -4.637 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 40 3.553 -6.075 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.706 -5.068 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.134 -4.204 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.509 -3.511 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.146 -6.179 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.891 -4.665 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.440 -6.126 -4.034 1.00 0.00 H new ATOM 632 N LEU A 41 5.815 -6.366 -3.197 1.00 0.00 N ATOM 633 CA LEU A 41 6.304 -7.742 -3.204 1.00 0.00 C ATOM 634 C LEU A 41 5.802 -8.516 -1.990 1.00 0.00 C ATOM 635 O LEU A 41 5.464 -7.930 -0.966 1.00 0.00 O ATOM 636 CB LEU A 41 7.845 -7.795 -3.295 1.00 0.00 C ATOM 637 CG LEU A 41 8.676 -7.236 -2.114 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.497 -6.039 -2.567 1.00 0.00 C ATOM 639 CD2 LEU A 41 7.827 -6.854 -0.911 1.00 0.00 C ATOM 0 H LEU A 41 5.735 -5.951 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 41 5.903 -8.223 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.133 -8.836 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.142 -7.255 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 41 9.336 -8.042 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.076 -5.656 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.174 -6.343 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.830 -5.258 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.470 -6.470 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.110 -6.086 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.292 -7.732 -0.550 1.00 0.00 H new ATOM 651 N VAL A 42 5.746 -9.836 -2.117 1.00 0.00 N ATOM 652 CA VAL A 42 5.282 -10.681 -1.027 1.00 0.00 C ATOM 653 C VAL A 42 6.380 -11.633 -0.583 1.00 0.00 C ATOM 654 O VAL A 42 6.951 -12.365 -1.395 1.00 0.00 O ATOM 655 CB VAL A 42 4.022 -11.498 -1.416 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.750 -12.617 -0.409 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.807 -10.589 -1.529 1.00 0.00 C ATOM 0 H VAL A 42 6.015 -10.342 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 42 5.016 -10.016 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 42 4.213 -11.955 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.861 -13.170 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.604 -13.293 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.591 -12.186 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.934 -11.181 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.628 -10.100 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.987 -9.834 -2.294 1.00 0.00 H new ATOM 667 N SER A 43 6.648 -11.621 0.717 1.00 0.00 N ATOM 668 CA SER A 43 7.654 -12.484 1.313 1.00 0.00 C ATOM 669 C SER A 43 7.001 -13.367 2.365 1.00 0.00 C ATOM 670 O SER A 43 5.932 -13.038 2.879 1.00 0.00 O ATOM 671 CB SER A 43 8.777 -11.653 1.935 1.00 0.00 C ATOM 672 OG SER A 43 8.441 -11.236 3.247 1.00 0.00 O ATOM 0 H SER A 43 6.174 -11.013 1.385 1.00 0.00 H new ATOM 0 HA SER A 43 8.091 -13.112 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.695 -12.240 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.974 -10.780 1.313 1.00 0.00 H new ATOM 0 HG SER A 43 9.177 -10.708 3.621 1.00 0.00 H new ATOM 678 N THR A 44 7.624 -14.494 2.675 1.00 0.00 N ATOM 679 CA THR A 44 7.060 -15.411 3.655 1.00 0.00 C ATOM 680 C THR A 44 7.681 -15.215 5.030 1.00 0.00 C ATOM 681 O THR A 44 8.856 -14.871 5.155 1.00 0.00 O ATOM 682 CB THR A 44 7.231 -16.851 3.184 1.00 0.00 C ATOM 683 OG1 THR A 44 8.560 -17.300 3.387 1.00 0.00 O ATOM 684 CG2 THR A 44 6.900 -17.019 1.723 1.00 0.00 C ATOM 0 H THR A 44 8.510 -14.794 2.268 1.00 0.00 H new ATOM 0 HA THR A 44 5.996 -15.193 3.747 1.00 0.00 H new ATOM 0 HB THR A 44 6.535 -17.444 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.643 -18.226 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.037 -18.062 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.864 -16.728 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.559 -16.389 1.126 1.00 0.00 H new ATOM 692 N THR A 45 6.869 -15.427 6.058 1.00 0.00 N ATOM 693 CA THR A 45 7.309 -15.265 7.437 1.00 0.00 C ATOM 694 C THR A 45 6.810 -16.416 8.305 1.00 0.00 C ATOM 695 O THR A 45 5.927 -17.173 7.901 1.00 0.00 O ATOM 696 CB THR A 45 6.809 -13.926 7.995 1.00 0.00 C ATOM 697 OG1 THR A 45 6.809 -13.942 9.412 1.00 0.00 O ATOM 698 CG2 THR A 45 5.407 -13.558 7.540 1.00 0.00 C ATOM 0 H THR A 45 5.895 -15.714 5.961 1.00 0.00 H new ATOM 0 HA THR A 45 8.399 -15.273 7.453 1.00 0.00 H new ATOM 0 HB THR A 45 7.502 -13.181 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.704 -13.028 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.123 -12.600 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.385 -13.484 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.705 -14.326 7.865 1.00 0.00 H new ATOM 706 N THR A 46 7.383 -16.545 9.498 1.00 0.00 N ATOM 707 CA THR A 46 6.996 -17.606 10.421 1.00 0.00 C ATOM 708 C THR A 46 5.919 -17.126 11.388 1.00 0.00 C ATOM 709 O THR A 46 5.044 -17.894 11.789 1.00 0.00 O ATOM 710 CB THR A 46 8.215 -18.103 11.200 1.00 0.00 C ATOM 711 OG1 THR A 46 7.825 -19.009 12.217 1.00 0.00 O ATOM 712 CG2 THR A 46 9.003 -16.990 11.856 1.00 0.00 C ATOM 0 H THR A 46 8.116 -15.928 9.848 1.00 0.00 H new ATOM 0 HA THR A 46 6.587 -18.429 9.835 1.00 0.00 H new ATOM 0 HB THR A 46 8.851 -18.588 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.618 -19.317 12.703 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.853 -17.413 12.391 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.362 -16.299 11.093 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.362 -16.455 12.557 1.00 0.00 H new ATOM 720 N ALA A 47 5.988 -15.852 11.761 1.00 0.00 N ATOM 721 CA ALA A 47 5.018 -15.272 12.682 1.00 0.00 C ATOM 722 C ALA A 47 3.770 -14.802 11.941 1.00 0.00 C ATOM 723 O ALA A 47 3.861 -14.066 10.959 1.00 0.00 O ATOM 724 CB ALA A 47 5.644 -14.118 13.450 1.00 0.00 C ATOM 0 H ALA A 47 6.705 -15.202 11.440 1.00 0.00 H new ATOM 0 HA ALA A 47 4.719 -16.045 13.390 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.908 -13.695 14.134 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.501 -14.481 14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.972 -13.350 12.749 1.00 0.00 H new ATOM 730 N HIS A 48 2.607 -15.231 12.419 1.00 0.00 N ATOM 731 CA HIS A 48 1.341 -14.851 11.804 1.00 0.00 C ATOM 732 C HIS A 48 1.168 -13.335 11.805 1.00 0.00 C ATOM 733 O HIS A 48 1.642 -12.648 12.710 1.00 0.00 O ATOM 734 CB HIS A 48 0.172 -15.511 12.539 1.00 0.00 C ATOM 735 CG HIS A 48 -0.287 -16.788 11.908 1.00 0.00 C ATOM 736 ND1 HIS A 48 -0.289 -16.996 10.544 1.00 0.00 N ATOM 737 CD2 HIS A 48 -0.761 -17.929 12.461 1.00 0.00 C ATOM 738 CE1 HIS A 48 -0.746 -18.208 10.286 1.00 0.00 C ATOM 739 NE2 HIS A 48 -1.038 -18.796 11.432 1.00 0.00 N ATOM 0 H HIS A 48 2.515 -15.842 13.230 1.00 0.00 H new ATOM 0 HA HIS A 48 1.351 -15.196 10.770 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.467 -15.710 13.569 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.664 -14.813 12.576 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.896 -18.122 13.515 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.861 -18.644 9.305 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.409 -19.740 11.536 1.00 0.00 H new ATOM 748 N GLY A 49 0.490 -12.821 10.786 1.00 0.00 N ATOM 749 CA GLY A 49 0.271 -11.390 10.690 1.00 0.00 C ATOM 750 C GLY A 49 -0.871 -10.915 11.569 1.00 0.00 C ATOM 751 O GLY A 49 -1.527 -11.718 12.231 1.00 0.00 O ATOM 0 H GLY A 49 0.088 -13.369 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.184 -10.866 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.061 -11.127 9.653 1.00 0.00 H new ATOM 755 N CYS A 50 -1.105 -9.608 11.574 1.00 0.00 N ATOM 756 CA CYS A 50 -2.175 -9.026 12.378 1.00 0.00 C ATOM 757 C CYS A 50 -3.012 -8.056 11.550 1.00 0.00 C ATOM 758 O CYS A 50 -3.511 -7.056 12.066 1.00 0.00 O ATOM 759 CB CYS A 50 -1.591 -8.305 13.595 1.00 0.00 C ATOM 760 SG CYS A 50 -2.590 -8.462 15.094 1.00 0.00 S ATOM 0 H CYS A 50 -0.569 -8.931 11.031 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.821 -9.835 12.719 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.594 -8.698 13.793 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.476 -7.248 13.357 1.00 0.00 H new ATOM 0 HG CYS A 50 -2.014 -7.822 16.068 1.00 0.00 H new ATOM 766 N ASP A 51 -3.162 -8.358 10.265 1.00 0.00 N ATOM 767 CA ASP A 51 -3.940 -7.511 9.368 1.00 0.00 C ATOM 768 C ASP A 51 -4.801 -8.355 8.432 1.00 0.00 C ATOM 769 O ASP A 51 -4.393 -9.433 7.999 1.00 0.00 O ATOM 770 CB ASP A 51 -3.013 -6.610 8.550 1.00 0.00 C ATOM 771 CG ASP A 51 -2.558 -5.391 9.328 1.00 0.00 C ATOM 772 OD1 ASP A 51 -3.424 -4.696 9.902 1.00 0.00 O ATOM 773 OD2 ASP A 51 -1.337 -5.130 9.363 1.00 0.00 O ATOM 0 H ASP A 51 -2.756 -9.182 9.821 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.597 -6.889 9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.141 -7.182 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.529 -6.289 7.645 1.00 0.00 H new ATOM 778 N THR A 52 -5.993 -7.855 8.123 1.00 0.00 N ATOM 779 CA THR A 52 -6.912 -8.561 7.237 1.00 0.00 C ATOM 780 C THR A 52 -7.249 -7.710 6.017 1.00 0.00 C ATOM 781 O THR A 52 -7.852 -6.644 6.139 1.00 0.00 O ATOM 782 CB THR A 52 -8.194 -8.930 7.984 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.898 -9.701 9.137 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.171 -9.723 7.142 1.00 0.00 C ATOM 0 H THR A 52 -6.345 -6.964 8.473 1.00 0.00 H new ATOM 0 HA THR A 52 -6.422 -9.474 6.899 1.00 0.00 H new ATOM 0 HB THR A 52 -8.656 -7.980 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.730 -9.926 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.058 -9.952 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.458 -9.137 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.702 -10.652 6.818 1.00 0.00 H new ATOM 792 N ILE A 53 -6.853 -8.187 4.842 1.00 0.00 N ATOM 793 CA ILE A 53 -7.112 -7.466 3.599 1.00 0.00 C ATOM 794 C ILE A 53 -8.579 -7.568 3.204 1.00 0.00 C ATOM 795 O ILE A 53 -9.194 -8.627 3.329 1.00 0.00 O ATOM 796 CB ILE A 53 -6.258 -7.993 2.430 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.879 -8.468 2.929 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.134 -6.921 1.354 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.696 -7.944 2.135 1.00 0.00 C ATOM 0 H ILE A 53 -6.352 -9.068 4.723 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.845 -6.427 3.791 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.753 -8.858 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.762 -8.166 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.857 -9.558 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.529 -7.300 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.126 -6.659 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.658 -6.035 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.771 -8.332 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.782 -8.268 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.685 -6.855 2.175 1.00 0.00 H new ATOM 811 N ALA A 54 -9.133 -6.464 2.720 1.00 0.00 N ATOM 812 CA ALA A 54 -10.526 -6.432 2.301 1.00 0.00 C ATOM 813 C ALA A 54 -10.652 -6.721 0.811 1.00 0.00 C ATOM 814 O ALA A 54 -9.925 -6.153 -0.004 1.00 0.00 O ATOM 815 CB ALA A 54 -11.146 -5.081 2.631 1.00 0.00 C ATOM 0 H ALA A 54 -8.638 -5.579 2.608 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.063 -7.208 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.188 -5.071 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.094 -4.910 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.600 -4.294 2.111 1.00 0.00 H new ATOM 821 N ARG A 55 -11.585 -7.597 0.458 1.00 0.00 N ATOM 822 CA ARG A 55 -11.812 -7.944 -0.938 1.00 0.00 C ATOM 823 C ARG A 55 -12.912 -7.068 -1.532 1.00 0.00 C ATOM 824 O ARG A 55 -13.605 -7.468 -2.468 1.00 0.00 O ATOM 825 CB ARG A 55 -12.186 -9.423 -1.069 1.00 0.00 C ATOM 826 CG ARG A 55 -11.257 -10.204 -1.985 1.00 0.00 C ATOM 827 CD ARG A 55 -11.999 -11.306 -2.724 1.00 0.00 C ATOM 828 NE ARG A 55 -11.160 -12.483 -2.936 1.00 0.00 N ATOM 829 CZ ARG A 55 -10.103 -12.503 -3.745 1.00 0.00 C ATOM 830 NH1 ARG A 55 -9.752 -11.414 -4.418 1.00 0.00 N ATOM 831 NH2 ARG A 55 -9.394 -13.616 -3.881 1.00 0.00 N ATOM 0 H ARG A 55 -12.195 -8.079 1.118 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.889 -7.768 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.178 -9.881 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.205 -9.500 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.800 -9.526 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.448 -10.639 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.885 -11.590 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.344 -10.928 -3.687 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.398 -13.339 -2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.293 -10.555 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.941 -11.436 -5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.659 -14.456 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.584 -13.632 -4.501 1.00 0.00 H new ATOM 845 N CYS A 56 -13.064 -5.870 -0.974 1.00 0.00 N ATOM 846 CA CYS A 56 -14.076 -4.929 -1.433 1.00 0.00 C ATOM 847 C CYS A 56 -13.466 -3.872 -2.346 1.00 0.00 C ATOM 848 O CYS A 56 -12.245 -3.735 -2.427 1.00 0.00 O ATOM 849 CB CYS A 56 -14.745 -4.254 -0.234 1.00 0.00 C ATOM 850 SG CYS A 56 -13.632 -3.186 0.741 1.00 0.00 S ATOM 0 H CYS A 56 -12.495 -5.529 -0.199 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.823 -5.484 -2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.584 -3.656 -0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.156 -5.024 0.419 1.00 0.00 H new ATOM 855 N GLN A 57 -14.325 -3.126 -3.032 1.00 0.00 N ATOM 856 CA GLN A 57 -13.874 -2.079 -3.939 1.00 0.00 C ATOM 857 C GLN A 57 -14.563 -0.754 -3.626 1.00 0.00 C ATOM 858 O GLN A 57 -14.814 0.053 -4.520 1.00 0.00 O ATOM 859 CB GLN A 57 -14.143 -2.485 -5.391 1.00 0.00 C ATOM 860 CG GLN A 57 -12.878 -2.695 -6.207 1.00 0.00 C ATOM 861 CD GLN A 57 -13.163 -2.913 -7.680 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.091 -2.328 -8.237 1.00 0.00 O ATOM 863 NE2 GLN A 57 -12.364 -3.760 -8.318 1.00 0.00 N ATOM 0 H GLN A 57 -15.338 -3.228 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.801 -1.947 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.728 -3.404 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.750 -1.716 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.227 -1.828 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.336 -3.555 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.606 -4.223 -7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.508 -3.948 -9.310 1.00 0.00 H new ATOM 872 N CYS A 58 -14.866 -0.533 -2.348 1.00 0.00 N ATOM 873 CA CYS A 58 -15.524 0.699 -1.922 1.00 0.00 C ATOM 874 C CYS A 58 -14.713 1.919 -2.343 1.00 0.00 C ATOM 875 O CYS A 58 -13.500 1.970 -2.136 1.00 0.00 O ATOM 876 CB CYS A 58 -15.717 0.713 -0.403 1.00 0.00 C ATOM 877 SG CYS A 58 -16.455 -0.807 0.278 1.00 0.00 S ATOM 0 H CYS A 58 -14.667 -1.189 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.500 0.738 -2.405 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.750 0.877 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.350 1.560 -0.138 1.00 0.00 H new ATOM 882 N THR A 59 -15.388 2.900 -2.927 1.00 0.00 N ATOM 883 CA THR A 59 -14.725 4.121 -3.369 1.00 0.00 C ATOM 884 C THR A 59 -14.368 5.011 -2.179 1.00 0.00 C ATOM 885 O THR A 59 -13.666 6.011 -2.332 1.00 0.00 O ATOM 886 CB THR A 59 -15.620 4.888 -4.343 1.00 0.00 C ATOM 887 OG1 THR A 59 -15.035 6.133 -4.686 1.00 0.00 O ATOM 888 CG2 THR A 59 -17.002 5.167 -3.794 1.00 0.00 C ATOM 0 H THR A 59 -16.392 2.875 -3.106 1.00 0.00 H new ATOM 0 HA THR A 59 -13.803 3.839 -3.878 1.00 0.00 H new ATOM 0 HB THR A 59 -15.717 4.242 -5.216 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.397 6.397 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.585 5.714 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.499 4.225 -3.565 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.919 5.764 -2.886 1.00 0.00 H new ATOM 896 N THR A 60 -14.855 4.646 -0.994 1.00 0.00 N ATOM 897 CA THR A 60 -14.586 5.417 0.214 1.00 0.00 C ATOM 898 C THR A 60 -13.828 4.581 1.241 1.00 0.00 C ATOM 899 O THR A 60 -14.216 3.454 1.549 1.00 0.00 O ATOM 900 CB THR A 60 -15.894 5.925 0.822 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.542 4.896 1.547 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.873 6.446 -0.209 1.00 0.00 C ATOM 0 H THR A 60 -15.437 3.822 -0.847 1.00 0.00 H new ATOM 0 HA THR A 60 -13.965 6.269 -0.063 1.00 0.00 H new ATOM 0 HB THR A 60 -15.607 6.749 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.958 4.110 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.779 6.790 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.421 7.275 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.125 5.648 -0.907 1.00 0.00 H new ATOM 910 N GLY A 61 -12.749 5.148 1.770 1.00 0.00 N ATOM 911 CA GLY A 61 -11.951 4.453 2.764 1.00 0.00 C ATOM 912 C GLY A 61 -11.221 5.418 3.676 1.00 0.00 C ATOM 913 O GLY A 61 -11.505 6.615 3.673 1.00 0.00 O ATOM 0 H GLY A 61 -12.412 6.080 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.595 3.807 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.228 3.809 2.264 1.00 0.00 H new ATOM 917 N VAL A 62 -10.277 4.904 4.456 1.00 0.00 N ATOM 918 CA VAL A 62 -9.510 5.742 5.369 1.00 0.00 C ATOM 919 C VAL A 62 -8.021 5.428 5.274 1.00 0.00 C ATOM 920 O VAL A 62 -7.605 4.274 5.407 1.00 0.00 O ATOM 921 CB VAL A 62 -9.981 5.571 6.827 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.844 4.122 7.269 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.213 6.495 7.760 1.00 0.00 C ATOM 0 H VAL A 62 -10.025 3.916 4.475 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.678 6.777 5.071 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.035 5.845 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.182 4.023 8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.452 3.486 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.800 3.817 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.565 6.354 8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.149 6.263 7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.374 7.531 7.460 1.00 0.00 H new ATOM 933 N TYR A 63 -7.224 6.465 5.037 1.00 0.00 N ATOM 934 CA TYR A 63 -5.782 6.308 4.917 1.00 0.00 C ATOM 935 C TYR A 63 -5.059 6.952 6.097 1.00 0.00 C ATOM 936 O TYR A 63 -5.568 7.886 6.716 1.00 0.00 O ATOM 937 CB TYR A 63 -5.289 6.906 3.592 1.00 0.00 C ATOM 938 CG TYR A 63 -5.207 8.422 3.570 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.236 9.094 4.301 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.094 9.180 2.809 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.149 10.472 4.280 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.012 10.560 2.784 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.038 11.200 3.520 1.00 0.00 C ATOM 944 OH TYR A 63 -4.954 12.573 3.497 1.00 0.00 O ATOM 0 H TYR A 63 -7.554 7.423 4.924 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.555 5.242 4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.302 6.499 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.954 6.580 2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.536 8.528 4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.857 8.682 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.388 10.977 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.708 11.134 2.190 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.653 12.934 2.912 1.00 0.00 H new ATOM 954 N PHE A 64 -3.867 6.447 6.398 1.00 0.00 N ATOM 955 CA PHE A 64 -3.070 6.975 7.499 1.00 0.00 C ATOM 956 C PHE A 64 -2.103 8.043 6.999 1.00 0.00 C ATOM 957 O PHE A 64 -1.571 7.942 5.894 1.00 0.00 O ATOM 958 CB PHE A 64 -2.293 5.846 8.181 1.00 0.00 C ATOM 959 CG PHE A 64 -1.989 6.114 9.628 1.00 0.00 C ATOM 960 CD1 PHE A 64 -3.010 6.374 10.527 1.00 0.00 C ATOM 961 CD2 PHE A 64 -0.682 6.105 10.087 1.00 0.00 C ATOM 962 CE1 PHE A 64 -2.734 6.620 11.859 1.00 0.00 C ATOM 963 CE2 PHE A 64 -0.399 6.351 11.418 1.00 0.00 C ATOM 964 CZ PHE A 64 -1.426 6.609 12.305 1.00 0.00 C ATOM 0 H PHE A 64 -3.432 5.673 5.895 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.746 7.429 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.867 4.923 8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.357 5.685 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.034 6.385 10.183 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.125 5.904 9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.539 6.820 12.550 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.624 6.341 11.764 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.207 6.802 13.345 1.00 0.00 H new ATOM 974 N CYS A 65 -1.882 9.069 7.815 1.00 0.00 N ATOM 975 CA CYS A 65 -0.980 10.154 7.446 1.00 0.00 C ATOM 976 C CYS A 65 0.157 10.288 8.454 1.00 0.00 C ATOM 977 O CYS A 65 -0.058 10.201 9.663 1.00 0.00 O ATOM 978 CB CYS A 65 -1.748 11.473 7.350 1.00 0.00 C ATOM 979 SG CYS A 65 -0.893 12.759 6.407 1.00 0.00 S ATOM 0 H CYS A 65 -2.314 9.172 8.733 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.551 9.918 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.718 11.284 6.889 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.940 11.843 8.357 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.622 13.835 6.380 1.00 0.00 H new ATOM 985 N ALA A 66 1.368 10.499 7.948 1.00 0.00 N ATOM 986 CA ALA A 66 2.540 10.645 8.803 1.00 0.00 C ATOM 987 C ALA A 66 2.541 12.000 9.503 1.00 0.00 C ATOM 988 O ALA A 66 2.803 12.089 10.702 1.00 0.00 O ATOM 989 CB ALA A 66 3.812 10.470 7.986 1.00 0.00 C ATOM 0 H ALA A 66 1.563 10.573 6.950 1.00 0.00 H new ATOM 0 HA ALA A 66 2.502 9.870 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.680 10.581 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.821 9.478 7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.847 11.226 7.201 1.00 0.00 H new ATOM 995 N SER A 67 2.246 13.052 8.746 1.00 0.00 N ATOM 996 CA SER A 67 2.210 14.401 9.295 1.00 0.00 C ATOM 997 C SER A 67 1.097 14.536 10.329 1.00 0.00 C ATOM 998 O SER A 67 1.321 15.014 11.441 1.00 0.00 O ATOM 999 CB SER A 67 2.012 15.426 8.173 1.00 0.00 C ATOM 1000 OG SER A 67 3.084 16.352 8.134 1.00 0.00 O ATOM 0 H SER A 67 2.029 12.995 7.751 1.00 0.00 H new ATOM 0 HA SER A 67 3.163 14.594 9.787 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.937 14.911 7.215 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.073 15.958 8.324 1.00 0.00 H new ATOM 0 HG SER A 67 2.935 16.994 7.409 1.00 0.00 H new ATOM 1006 N LYS A 68 -0.103 14.108 9.953 1.00 0.00 N ATOM 1007 CA LYS A 68 -1.255 14.175 10.845 1.00 0.00 C ATOM 1008 C LYS A 68 -1.170 13.100 11.925 1.00 0.00 C ATOM 1009 O LYS A 68 -1.708 13.264 13.021 1.00 0.00 O ATOM 1010 CB LYS A 68 -2.553 14.015 10.052 1.00 0.00 C ATOM 1011 CG LYS A 68 -2.609 14.864 8.793 1.00 0.00 C ATOM 1012 CD LYS A 68 -3.231 16.225 9.066 1.00 0.00 C ATOM 1013 CE LYS A 68 -2.197 17.218 9.570 1.00 0.00 C ATOM 1014 NZ LYS A 68 -2.766 18.586 9.718 1.00 0.00 N ATOM 0 H LYS A 68 -0.304 13.710 9.035 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.251 15.152 11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.674 12.967 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.395 14.276 10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.602 14.996 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.187 14.345 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.689 16.607 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.027 16.121 9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.808 16.881 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.355 17.248 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.029 19.233 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.114 18.919 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.553 18.563 10.398 1.00 0.00 H new ATOM 1028 N SER A 69 -0.494 11.998 11.610 1.00 0.00 N ATOM 1029 CA SER A 69 -0.348 10.895 12.554 1.00 0.00 C ATOM 1030 C SER A 69 -1.712 10.342 12.959 1.00 0.00 C ATOM 1031 O SER A 69 -1.851 9.700 13.999 1.00 0.00 O ATOM 1032 CB SER A 69 0.418 11.358 13.795 1.00 0.00 C ATOM 1033 OG SER A 69 1.363 12.362 13.467 1.00 0.00 O ATOM 0 H SER A 69 -0.040 11.846 10.710 1.00 0.00 H new ATOM 0 HA SER A 69 0.215 10.100 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.283 11.742 14.536 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.928 10.509 14.249 1.00 0.00 H new ATOM 0 HG SER A 69 1.817 12.124 12.632 1.00 0.00 H new ATOM 1039 N LYS A 70 -2.718 10.601 12.127 1.00 0.00 N ATOM 1040 CA LYS A 70 -4.076 10.139 12.386 1.00 0.00 C ATOM 1041 C LYS A 70 -4.682 9.524 11.131 1.00 0.00 C ATOM 1042 O LYS A 70 -4.121 9.634 10.040 1.00 0.00 O ATOM 1043 CB LYS A 70 -4.962 11.290 12.870 1.00 0.00 C ATOM 1044 CG LYS A 70 -4.289 12.212 13.875 1.00 0.00 C ATOM 1045 CD LYS A 70 -4.380 13.667 13.441 1.00 0.00 C ATOM 1046 CE LYS A 70 -5.736 14.269 13.777 1.00 0.00 C ATOM 1047 NZ LYS A 70 -6.853 13.326 13.490 1.00 0.00 N ATOM 0 H LYS A 70 -2.615 11.132 11.262 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.025 9.381 13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.278 11.878 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.864 10.875 13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.758 12.092 14.852 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.242 11.929 13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.595 14.243 13.930 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.206 13.738 12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.758 14.547 14.831 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.878 15.185 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.762 13.815 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.779 12.988 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.799 12.516 14.140 1.00 0.00 H new ATOM 1061 N HIS A 71 -5.834 8.884 11.290 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.521 8.261 10.167 1.00 0.00 C ATOM 1063 C HIS A 71 -7.367 9.299 9.435 1.00 0.00 C ATOM 1064 O HIS A 71 -7.992 10.154 10.063 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.396 7.102 10.653 1.00 0.00 C ATOM 1066 CG HIS A 71 -8.583 7.537 11.458 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -8.493 7.943 12.773 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -9.893 7.626 11.128 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -9.696 8.262 13.216 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -10.563 8.079 12.237 1.00 0.00 N ATOM 0 H HIS A 71 -6.312 8.783 12.186 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.778 7.862 9.476 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.743 6.534 9.790 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.788 6.427 11.255 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.330 7.385 10.170 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.931 8.613 14.210 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -11.567 8.247 12.295 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.367 9.238 8.107 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.120 10.196 7.306 1.00 0.00 C ATOM 1081 C TYR A 72 -9.057 9.496 6.323 1.00 0.00 C ATOM 1082 O TYR A 72 -8.600 8.845 5.383 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.146 11.085 6.524 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.049 12.505 7.034 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.504 12.782 8.283 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.492 13.572 6.260 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.406 14.081 8.747 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.396 14.873 6.716 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.852 15.122 7.960 1.00 0.00 C ATOM 1090 OH TYR A 72 -6.756 16.416 8.417 1.00 0.00 O ATOM 0 H TYR A 72 -6.857 8.540 7.566 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.725 10.797 7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.155 10.632 6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.453 11.108 5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.151 11.969 8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.918 13.381 5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.982 14.279 9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.745 15.690 6.102 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.114 17.029 7.741 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.383 9.642 6.501 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.364 9.042 5.599 1.00 0.00 C ATOM 1102 C PRO A 73 -11.415 9.813 4.288 1.00 0.00 C ATOM 1103 O PRO A 73 -11.679 11.014 4.278 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.697 9.170 6.356 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.344 9.683 7.716 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.038 10.408 7.565 1.00 0.00 C ATOM 0 HA PRO A 73 -11.128 8.009 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.374 9.854 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.204 8.207 6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.118 10.351 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.254 8.864 8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.181 11.452 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.459 10.401 8.488 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.133 9.131 3.185 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.120 9.783 1.884 1.00 0.00 C ATOM 1116 C VAL A 74 -11.636 8.870 0.778 1.00 0.00 C ATOM 1117 O VAL A 74 -11.429 7.656 0.808 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.691 10.241 1.526 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.647 10.894 0.156 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.150 11.185 2.586 1.00 0.00 C ATOM 0 H VAL A 74 -10.912 8.135 3.166 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.784 10.644 1.957 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.056 9.356 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.626 11.205 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.981 10.181 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.302 11.765 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.141 11.497 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.794 12.062 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.126 10.675 3.549 1.00 0.00 H new ATOM 1130 N SER A 75 -12.282 9.474 -0.215 1.00 0.00 N ATOM 1131 CA SER A 75 -12.803 8.734 -1.354 1.00 0.00 C ATOM 1132 C SER A 75 -11.757 8.712 -2.461 1.00 0.00 C ATOM 1133 O SER A 75 -11.104 9.722 -2.723 1.00 0.00 O ATOM 1134 CB SER A 75 -14.098 9.370 -1.863 1.00 0.00 C ATOM 1135 OG SER A 75 -13.835 10.572 -2.565 1.00 0.00 O ATOM 0 H SER A 75 -12.456 10.478 -0.251 1.00 0.00 H new ATOM 0 HA SER A 75 -13.026 7.713 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.618 8.670 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.761 9.574 -1.022 1.00 0.00 H new ATOM 0 HG SER A 75 -14.679 10.957 -2.881 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.579 7.560 -3.093 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.584 7.434 -4.150 1.00 0.00 C ATOM 1143 C PHE A 76 -11.026 6.462 -5.234 1.00 0.00 C ATOM 1144 O PHE A 76 -11.993 5.717 -5.068 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.241 6.974 -3.569 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.360 6.175 -2.298 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.356 5.222 -2.150 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.480 6.386 -1.250 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.468 4.495 -0.981 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.588 5.666 -0.081 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.584 4.718 0.056 1.00 0.00 C ATOM 0 H PHE A 76 -12.104 6.708 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.471 8.419 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.722 6.373 -4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.621 7.850 -3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.052 5.046 -2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.699 7.125 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.246 3.753 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.895 5.842 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.671 4.153 0.972 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.293 6.472 -6.341 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.578 5.592 -7.464 1.00 0.00 C ATOM 1163 C GLU A 77 -9.455 4.577 -7.630 1.00 0.00 C ATOM 1164 O GLU A 77 -8.337 4.798 -7.160 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.749 6.404 -8.750 1.00 0.00 C ATOM 1166 CG GLU A 77 -11.439 5.636 -9.865 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.284 6.530 -10.752 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -12.928 7.457 -10.219 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -12.301 6.303 -11.980 1.00 0.00 O ATOM 0 H GLU A 77 -9.491 7.086 -6.484 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.508 5.061 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.324 7.303 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.769 6.730 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.688 5.132 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.070 4.860 -9.431 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.755 3.464 -8.290 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.753 2.433 -8.493 1.00 0.00 C ATOM 1178 C GLY A 78 -8.236 2.384 -9.919 1.00 0.00 C ATOM 1179 O GLY A 78 -8.492 1.419 -10.639 1.00 0.00 O ATOM 0 H GLY A 78 -10.671 3.257 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.918 2.607 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.178 1.464 -8.233 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.494 3.416 -10.362 1.00 0.00 N ATOM 1184 CA PRO A 79 -6.943 3.463 -11.717 1.00 0.00 C ATOM 1185 C PRO A 79 -5.867 2.406 -11.939 1.00 0.00 C ATOM 1186 O PRO A 79 -4.984 2.210 -11.097 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.338 4.866 -11.817 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.073 5.272 -10.410 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.135 4.610 -9.578 1.00 0.00 C ATOM 0 HA PRO A 79 -7.706 3.262 -12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.420 4.859 -12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.024 5.558 -12.305 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.078 4.957 -10.094 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.113 6.356 -10.303 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.762 4.343 -8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.994 5.265 -9.429 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.948 1.730 -13.079 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.978 0.703 -13.399 1.00 0.00 C ATOM 1199 C GLY A 80 -3.565 1.242 -13.443 1.00 0.00 C ATOM 1200 O GLY A 80 -2.823 1.132 -12.470 1.00 0.00 O ATOM 0 H GLY A 80 -6.668 1.876 -13.786 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.038 -0.094 -12.658 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.226 0.260 -14.364 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.190 1.827 -14.575 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.854 2.380 -14.733 1.00 0.00 C ATOM 1206 C LEU A 81 -1.829 3.882 -14.468 1.00 0.00 C ATOM 1207 O LEU A 81 -2.489 4.657 -15.160 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.326 2.099 -16.137 1.00 0.00 C ATOM 1209 CG LEU A 81 0.132 1.639 -16.191 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.018 2.512 -15.315 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.245 0.180 -15.779 1.00 0.00 C ATOM 0 H LEU A 81 -3.791 1.929 -15.393 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.212 1.895 -13.997 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.951 1.335 -16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.430 3.003 -16.737 1.00 0.00 H new ATOM 0 HG LEU A 81 0.478 1.738 -17.220 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.048 2.160 -15.374 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.967 3.545 -15.660 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.675 2.458 -14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.289 -0.131 -15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.127 0.059 -14.761 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.346 -0.436 -16.457 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.042 4.288 -13.475 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.907 5.697 -13.134 1.00 0.00 C ATOM 1225 C VAL A 82 0.562 6.107 -13.159 1.00 0.00 C ATOM 1226 O VAL A 82 1.389 5.534 -12.451 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.502 6.006 -11.742 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.422 7.496 -11.442 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.942 5.520 -11.662 1.00 0.00 C ATOM 0 H VAL A 82 -0.489 3.659 -12.893 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.462 6.268 -13.878 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.916 5.476 -10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.846 7.692 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.380 7.815 -11.458 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.983 8.049 -12.195 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.348 5.745 -10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.539 6.023 -12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.973 4.443 -11.830 1.00 0.00 H new ATOM 1239 N GLU A 83 0.879 7.101 -13.982 1.00 0.00 N ATOM 1240 CA GLU A 83 2.249 7.585 -14.103 1.00 0.00 C ATOM 1241 C GLU A 83 2.650 8.385 -12.871 1.00 0.00 C ATOM 1242 O GLU A 83 2.184 9.507 -12.670 1.00 0.00 O ATOM 1243 CB GLU A 83 2.398 8.446 -15.358 1.00 0.00 C ATOM 1244 CG GLU A 83 1.415 9.606 -15.419 1.00 0.00 C ATOM 1245 CD GLU A 83 2.105 10.956 -15.462 1.00 0.00 C ATOM 1246 OE1 GLU A 83 2.420 11.426 -16.575 1.00 0.00 O ATOM 1247 OE2 GLU A 83 2.332 11.541 -14.382 1.00 0.00 O ATOM 0 H GLU A 83 0.206 7.587 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 83 2.910 6.722 -14.184 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.414 8.839 -15.401 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.261 7.818 -16.238 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.784 9.497 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.758 9.566 -14.550 1.00 0.00 H new ATOM 1254 N VAL A 84 3.516 7.804 -12.048 1.00 0.00 N ATOM 1255 CA VAL A 84 3.972 8.471 -10.837 1.00 0.00 C ATOM 1256 C VAL A 84 5.094 9.457 -11.139 1.00 0.00 C ATOM 1257 O VAL A 84 6.098 9.101 -11.756 1.00 0.00 O ATOM 1258 CB VAL A 84 4.454 7.464 -9.776 1.00 0.00 C ATOM 1259 CG1 VAL A 84 3.288 6.643 -9.249 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.542 6.562 -10.337 1.00 0.00 C ATOM 0 H VAL A 84 3.914 6.877 -12.197 1.00 0.00 H new ATOM 0 HA VAL A 84 3.114 9.013 -10.439 1.00 0.00 H new ATOM 0 HB VAL A 84 4.880 8.025 -8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.649 5.937 -8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.551 7.306 -8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.827 6.096 -10.071 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.865 5.860 -9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.152 6.009 -11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.390 7.169 -10.654 1.00 0.00 H new ATOM 1270 N GLN A 85 4.905 10.696 -10.694 1.00 0.00 N ATOM 1271 CA GLN A 85 5.882 11.763 -10.900 1.00 0.00 C ATOM 1272 C GLN A 85 7.135 11.527 -10.065 1.00 0.00 C ATOM 1273 O GLN A 85 7.073 10.920 -8.996 1.00 0.00 O ATOM 1274 CB GLN A 85 5.275 13.124 -10.545 1.00 0.00 C ATOM 1275 CG GLN A 85 3.802 13.253 -10.899 1.00 0.00 C ATOM 1276 CD GLN A 85 3.494 14.527 -11.662 1.00 0.00 C ATOM 1277 OE1 GLN A 85 3.759 15.630 -11.185 1.00 0.00 O ATOM 1278 NE2 GLN A 85 2.930 14.380 -12.856 1.00 0.00 N ATOM 0 H GLN A 85 4.073 10.989 -10.182 1.00 0.00 H new ATOM 0 HA GLN A 85 6.160 11.759 -11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.398 13.298 -9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.832 13.905 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.500 12.394 -11.497 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.209 13.229 -9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.728 13.446 -13.213 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.699 15.201 -13.416 1.00 0.00 H new ATOM 1287 N GLU A 86 8.273 12.008 -10.557 1.00 0.00 N ATOM 1288 CA GLU A 86 9.534 11.837 -9.845 1.00 0.00 C ATOM 1289 C GLU A 86 9.530 12.646 -8.555 1.00 0.00 C ATOM 1290 O GLU A 86 9.705 13.865 -8.573 1.00 0.00 O ATOM 1291 CB GLU A 86 10.710 12.275 -10.721 1.00 0.00 C ATOM 1292 CG GLU A 86 10.480 13.599 -11.432 1.00 0.00 C ATOM 1293 CD GLU A 86 11.775 14.269 -11.846 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.688 13.558 -12.317 1.00 0.00 O ATOM 1295 OE2 GLU A 86 11.876 15.506 -11.701 1.00 0.00 O ATOM 0 H GLU A 86 8.348 12.515 -11.439 1.00 0.00 H new ATOM 0 HA GLU A 86 9.646 10.780 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.603 12.355 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.906 11.502 -11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.863 13.431 -12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.922 14.268 -10.776 1.00 0.00 H new ATOM 1302 N SER A 87 9.322 11.960 -7.438 1.00 0.00 N ATOM 1303 CA SER A 87 9.288 12.614 -6.135 1.00 0.00 C ATOM 1304 C SER A 87 9.905 11.733 -5.053 1.00 0.00 C ATOM 1305 O SER A 87 10.076 10.529 -5.242 1.00 0.00 O ATOM 1306 CB SER A 87 7.847 12.970 -5.759 1.00 0.00 C ATOM 1307 OG SER A 87 7.736 14.337 -5.401 1.00 0.00 O ATOM 0 H SER A 87 9.174 10.951 -7.408 1.00 0.00 H new ATOM 0 HA SER A 87 9.879 13.527 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.185 12.756 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.520 12.345 -4.928 1.00 0.00 H new ATOM 0 HG SER A 87 6.806 14.539 -5.167 1.00 0.00 H new ATOM 1313 N GLU A 88 10.223 12.344 -3.915 1.00 0.00 N ATOM 1314 CA GLU A 88 10.809 11.627 -2.787 1.00 0.00 C ATOM 1315 C GLU A 88 12.102 10.915 -3.185 1.00 0.00 C ATOM 1316 O GLU A 88 13.197 11.420 -2.941 1.00 0.00 O ATOM 1317 CB GLU A 88 9.800 10.626 -2.214 1.00 0.00 C ATOM 1318 CG GLU A 88 10.042 10.289 -0.752 1.00 0.00 C ATOM 1319 CD GLU A 88 8.760 10.245 0.057 1.00 0.00 C ATOM 1320 OE1 GLU A 88 7.942 9.331 -0.175 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.574 11.126 0.923 1.00 0.00 O ATOM 0 H GLU A 88 10.083 13.341 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 88 11.059 12.359 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.795 11.033 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.838 9.708 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.543 9.324 -0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.715 11.029 -0.319 1.00 0.00 H new ATOM 1328 N TYR A 89 11.972 9.740 -3.796 1.00 0.00 N ATOM 1329 CA TYR A 89 13.131 8.965 -4.221 1.00 0.00 C ATOM 1330 C TYR A 89 12.768 8.026 -5.368 1.00 0.00 C ATOM 1331 O TYR A 89 13.439 7.017 -5.589 1.00 0.00 O ATOM 1332 CB TYR A 89 13.686 8.157 -3.047 1.00 0.00 C ATOM 1333 CG TYR A 89 12.613 7.500 -2.204 1.00 0.00 C ATOM 1334 CD1 TYR A 89 11.672 6.652 -2.777 1.00 0.00 C ATOM 1335 CD2 TYR A 89 12.541 7.731 -0.836 1.00 0.00 C ATOM 1336 CE1 TYR A 89 10.691 6.054 -2.009 1.00 0.00 C ATOM 1337 CE2 TYR A 89 11.563 7.136 -0.062 1.00 0.00 C ATOM 1338 CZ TYR A 89 10.641 6.299 -0.653 1.00 0.00 C ATOM 1339 OH TYR A 89 9.665 5.704 0.114 1.00 0.00 O ATOM 0 H TYR A 89 11.074 9.305 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 89 13.893 9.661 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 89 14.357 7.388 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.283 8.814 -2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.708 6.458 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.261 8.387 -0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.967 5.398 -2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.521 7.326 1.000 1.00 0.00 H new ATOM 0 HH TYR A 89 9.770 5.979 1.049 1.00 0.00 H new ATOM 1349 N TYR A 90 11.703 8.358 -6.093 1.00 0.00 N ATOM 1350 CA TYR A 90 11.257 7.536 -7.208 1.00 0.00 C ATOM 1351 C TYR A 90 11.188 8.356 -8.496 1.00 0.00 C ATOM 1352 O TYR A 90 10.711 9.491 -8.487 1.00 0.00 O ATOM 1353 CB TYR A 90 9.888 6.927 -6.904 1.00 0.00 C ATOM 1354 CG TYR A 90 9.606 5.653 -7.669 1.00 0.00 C ATOM 1355 CD1 TYR A 90 10.222 4.459 -7.317 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.726 5.646 -8.744 1.00 0.00 C ATOM 1357 CE1 TYR A 90 9.968 3.292 -8.014 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.466 4.483 -9.445 1.00 0.00 C ATOM 1359 CZ TYR A 90 9.090 3.310 -9.076 1.00 0.00 C ATOM 1360 OH TYR A 90 8.834 2.152 -9.773 1.00 0.00 O ATOM 0 H TYR A 90 11.136 9.189 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 90 11.981 6.733 -7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.821 6.721 -5.836 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.115 7.659 -7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.911 4.442 -6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.237 6.564 -9.037 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.455 2.372 -7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.778 4.493 -10.277 1.00 0.00 H new ATOM 0 HH TYR A 90 8.353 1.523 -9.196 1.00 0.00 H new ATOM 1370 N PRO A 91 11.667 7.786 -9.620 1.00 0.00 N ATOM 1371 CA PRO A 91 11.663 8.458 -10.922 1.00 0.00 C ATOM 1372 C PRO A 91 10.313 8.358 -11.625 1.00 0.00 C ATOM 1373 O PRO A 91 9.588 7.380 -11.451 1.00 0.00 O ATOM 1374 CB PRO A 91 12.727 7.689 -11.700 1.00 0.00 C ATOM 1375 CG PRO A 91 12.651 6.303 -11.159 1.00 0.00 C ATOM 1376 CD PRO A 91 12.256 6.433 -9.709 1.00 0.00 C ATOM 0 HA PRO A 91 11.856 9.527 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.528 7.709 -12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.717 8.120 -11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.920 5.711 -11.709 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.610 5.795 -11.256 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.538 5.665 -9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.117 6.328 -9.049 1.00 0.00 H new ATOM 1384 N LYS A 92 9.979 9.378 -12.417 1.00 0.00 N ATOM 1385 CA LYS A 92 8.713 9.408 -13.149 1.00 0.00 C ATOM 1386 C LYS A 92 8.487 8.096 -13.895 1.00 0.00 C ATOM 1387 O LYS A 92 8.899 7.947 -15.046 1.00 0.00 O ATOM 1388 CB LYS A 92 8.695 10.577 -14.134 1.00 0.00 C ATOM 1389 CG LYS A 92 7.339 10.803 -14.786 1.00 0.00 C ATOM 1390 CD LYS A 92 6.791 12.189 -14.479 1.00 0.00 C ATOM 1391 CE LYS A 92 6.898 13.110 -15.683 1.00 0.00 C ATOM 1392 NZ LYS A 92 8.200 13.832 -15.716 1.00 0.00 N ATOM 0 H LYS A 92 10.570 10.196 -12.568 1.00 0.00 H new ATOM 0 HA LYS A 92 7.907 9.540 -12.427 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.994 11.486 -13.612 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.437 10.398 -14.912 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.429 10.678 -15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.636 10.048 -14.435 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.748 12.109 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.338 12.620 -13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.783 12.527 -16.597 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.082 13.833 -15.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.233 14.450 -16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.299 14.408 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.978 13.143 -15.763 1.00 0.00 H new ATOM 1406 N ARG A 93 7.847 7.141 -13.227 1.00 0.00 N ATOM 1407 CA ARG A 93 7.589 5.836 -13.829 1.00 0.00 C ATOM 1408 C ARG A 93 6.104 5.478 -13.817 1.00 0.00 C ATOM 1409 O ARG A 93 5.293 6.141 -13.173 1.00 0.00 O ATOM 1410 CB ARG A 93 8.389 4.755 -13.096 1.00 0.00 C ATOM 1411 CG ARG A 93 9.202 3.866 -14.025 1.00 0.00 C ATOM 1412 CD ARG A 93 10.690 3.958 -13.729 1.00 0.00 C ATOM 1413 NE ARG A 93 11.500 3.781 -14.932 1.00 0.00 N ATOM 1414 CZ ARG A 93 11.681 2.608 -15.537 1.00 0.00 C ATOM 1415 NH1 ARG A 93 11.111 1.510 -15.055 1.00 0.00 N ATOM 1416 NH2 ARG A 93 12.433 2.535 -16.626 1.00 0.00 N ATOM 0 H ARG A 93 7.499 7.245 -12.274 1.00 0.00 H new ATOM 0 HA ARG A 93 7.906 5.890 -14.871 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.061 5.232 -12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.703 4.134 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.873 2.832 -13.920 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.018 4.156 -15.060 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.911 4.927 -13.282 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.961 3.199 -12.995 1.00 0.00 H new ATOM 0 HE ARG A 93 11.953 4.603 -15.332 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.531 1.562 -14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.253 0.615 -15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.872 3.376 -17.000 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.572 1.638 -17.090 1.00 0.00 H new ATOM 1430 N TYR A 94 5.769 4.410 -14.536 1.00 0.00 N ATOM 1431 CA TYR A 94 4.397 3.926 -14.622 1.00 0.00 C ATOM 1432 C TYR A 94 4.113 2.895 -13.532 1.00 0.00 C ATOM 1433 O TYR A 94 4.897 1.970 -13.323 1.00 0.00 O ATOM 1434 CB TYR A 94 4.151 3.309 -15.997 1.00 0.00 C ATOM 1435 CG TYR A 94 3.622 4.295 -17.007 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.167 5.565 -17.109 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.577 3.958 -17.855 1.00 0.00 C ATOM 1438 CE1 TYR A 94 3.688 6.475 -18.026 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.090 4.860 -18.777 1.00 0.00 C ATOM 1440 CZ TYR A 94 2.649 6.119 -18.861 1.00 0.00 C ATOM 1441 OH TYR A 94 2.167 7.022 -19.779 1.00 0.00 O ATOM 0 H TYR A 94 6.439 3.859 -15.073 1.00 0.00 H new ATOM 0 HA TYR A 94 3.724 4.772 -14.478 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.083 2.884 -16.369 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.443 2.487 -15.897 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.982 5.846 -16.458 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.138 2.973 -17.792 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.123 7.461 -18.091 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.276 4.583 -19.430 1.00 0.00 H new ATOM 0 HH TYR A 94 1.437 6.612 -20.288 1.00 0.00 H new ATOM 1451 N GLN A 95 2.989 3.060 -12.840 1.00 0.00 N ATOM 1452 CA GLN A 95 2.608 2.140 -11.772 1.00 0.00 C ATOM 1453 C GLN A 95 1.219 1.560 -12.018 1.00 0.00 C ATOM 1454 O GLN A 95 0.277 2.290 -12.323 1.00 0.00 O ATOM 1455 CB GLN A 95 2.644 2.853 -10.418 1.00 0.00 C ATOM 1456 CG GLN A 95 4.035 3.307 -10.007 1.00 0.00 C ATOM 1457 CD GLN A 95 4.703 2.345 -9.046 1.00 0.00 C ATOM 1458 OE1 GLN A 95 5.296 2.885 -7.987 1.00 0.00 O flip ATOM 1459 NE2 GLN A 95 4.688 1.132 -9.252 1.00 0.00 N flip ATOM 0 H GLN A 95 2.328 3.820 -12.999 1.00 0.00 H new ATOM 0 HA GLN A 95 3.326 1.320 -11.763 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.984 3.720 -10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.248 2.184 -9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.655 3.415 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.969 4.291 -9.543 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.220 0.761 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.143 0.498 -8.596 1.00 0.00 H new ATOM 1468 N SER A 96 1.097 0.241 -11.892 1.00 0.00 N ATOM 1469 CA SER A 96 -0.179 -0.431 -12.113 1.00 0.00 C ATOM 1470 C SER A 96 -0.873 -0.780 -10.797 1.00 0.00 C ATOM 1471 O SER A 96 -0.221 -1.079 -9.796 1.00 0.00 O ATOM 1472 CB SER A 96 0.031 -1.702 -12.939 1.00 0.00 C ATOM 1473 OG SER A 96 0.435 -2.784 -12.116 1.00 0.00 O ATOM 0 H SER A 96 1.864 -0.382 -11.639 1.00 0.00 H new ATOM 0 HA SER A 96 -0.822 0.259 -12.659 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.893 -1.960 -13.457 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.786 -1.522 -13.704 1.00 0.00 H new ATOM 0 HG SER A 96 0.561 -3.585 -12.667 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.204 -0.752 -10.817 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.009 -1.077 -9.642 1.00 0.00 C ATOM 1481 C HIS A 97 -2.782 -0.085 -8.502 1.00 0.00 C ATOM 1482 O HIS A 97 -2.438 -0.479 -7.384 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.696 -2.498 -9.169 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.883 -3.214 -8.604 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -5.093 -3.297 -9.259 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.041 -3.882 -7.438 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.945 -3.984 -8.519 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.331 -4.351 -7.410 1.00 0.00 N ATOM 0 H HIS A 97 -2.751 -0.505 -11.642 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.057 -1.011 -9.933 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.300 -3.072 -10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.913 -2.456 -8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.292 -4.020 -6.672 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.970 -4.207 -8.778 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.747 -4.895 -6.654 1.00 0.00 H new ATOM 1497 N VAL A 98 -2.989 1.201 -8.777 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.813 2.227 -7.755 1.00 0.00 C ATOM 1499 C VAL A 98 -4.083 3.053 -7.572 1.00 0.00 C ATOM 1500 O VAL A 98 -4.721 3.453 -8.544 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.621 3.159 -8.076 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.885 3.992 -9.319 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.310 4.064 -6.897 1.00 0.00 C ATOM 0 H VAL A 98 -3.276 1.554 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.597 1.706 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.756 2.525 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.027 4.635 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.046 3.332 -10.172 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.771 4.607 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.468 4.710 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.182 4.676 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.056 3.456 -6.029 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.445 3.303 -6.317 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.637 4.085 -6.002 1.00 0.00 C ATOM 1515 C LEU A 99 -5.243 5.485 -5.557 1.00 0.00 C ATOM 1516 O LEU A 99 -4.336 5.649 -4.744 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.454 3.397 -4.908 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.672 1.898 -5.112 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.484 1.108 -4.583 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -7.960 1.451 -4.436 1.00 0.00 C ATOM 0 H LEU A 99 -3.929 2.975 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.250 4.159 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.954 3.549 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.427 3.885 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.761 1.704 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.658 0.043 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.581 1.409 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.361 1.305 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.100 0.381 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.901 1.658 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.803 1.993 -4.865 1.00 0.00 H new ATOM 1532 N LEU A 100 -5.912 6.498 -6.098 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.590 7.874 -5.742 1.00 0.00 C ATOM 1534 C LEU A 100 -6.749 8.578 -5.046 1.00 0.00 C ATOM 1535 O LEU A 100 -7.912 8.424 -5.428 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.142 8.653 -6.976 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.625 8.700 -7.166 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.269 9.207 -8.550 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -2.979 9.572 -6.100 1.00 0.00 C ATOM 0 H LEU A 100 -6.669 6.395 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.767 7.841 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.595 8.204 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.521 9.673 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.240 7.685 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.185 9.231 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.696 8.543 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.670 10.212 -8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.900 9.593 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.375 10.585 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.199 9.164 -5.114 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.411 9.345 -4.009 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.397 10.080 -3.224 1.00 0.00 C ATOM 1553 C ALA A 101 -7.023 11.552 -3.091 1.00 0.00 C ATOM 1554 O ALA A 101 -5.980 11.885 -2.534 1.00 0.00 O ATOM 1555 CB ALA A 101 -7.519 9.459 -1.842 1.00 0.00 C ATOM 0 H ALA A 101 -5.450 9.472 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.353 10.020 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.256 10.011 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.835 8.420 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.553 9.500 -1.338 1.00 0.00 H new ATOM 1561 N THR A 102 -7.884 12.432 -3.587 1.00 0.00 N ATOM 1562 CA THR A 102 -7.634 13.866 -3.501 1.00 0.00 C ATOM 1563 C THR A 102 -8.164 14.427 -2.183 1.00 0.00 C ATOM 1564 O THR A 102 -9.373 14.474 -1.957 1.00 0.00 O ATOM 1565 CB THR A 102 -8.278 14.593 -4.682 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.263 15.994 -4.476 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.712 14.180 -4.931 1.00 0.00 C ATOM 0 H THR A 102 -8.757 12.180 -4.051 1.00 0.00 H new ATOM 0 HA THR A 102 -6.557 14.027 -3.537 1.00 0.00 H new ATOM 0 HB THR A 102 -7.682 14.315 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.678 16.442 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.108 14.734 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.751 13.112 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.312 14.396 -4.047 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.248 14.848 -1.315 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.637 15.398 -0.027 1.00 0.00 C ATOM 1577 C GLY A 103 -8.267 16.772 -0.148 1.00 0.00 C ATOM 1578 O GLY A 103 -8.653 17.192 -1.240 1.00 0.00 O ATOM 0 H GLY A 103 -6.242 14.818 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.341 14.720 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.760 15.459 0.618 1.00 0.00 H new ATOM 1582 N PHE A 104 -8.373 17.472 0.976 1.00 0.00 N ATOM 1583 CA PHE A 104 -8.958 18.807 0.994 1.00 0.00 C ATOM 1584 C PHE A 104 -7.984 19.818 1.593 1.00 0.00 C ATOM 1585 O PHE A 104 -8.394 20.811 2.194 1.00 0.00 O ATOM 1586 CB PHE A 104 -10.266 18.802 1.791 1.00 0.00 C ATOM 1587 CG PHE A 104 -11.492 18.756 0.926 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -12.089 19.925 0.482 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -12.048 17.541 0.555 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -13.217 19.884 -0.313 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -13.177 17.495 -0.241 1.00 0.00 C ATOM 1592 CZ PHE A 104 -13.762 18.668 -0.676 1.00 0.00 C ATOM 0 H PHE A 104 -8.061 17.136 1.887 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.170 19.100 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.271 17.942 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.305 19.694 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.667 20.879 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -11.594 16.621 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -13.673 20.803 -0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.601 16.543 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 104 -14.644 18.634 -1.299 1.00 0.00 H new ATOM 1602 N SER A 105 -6.692 19.557 1.422 1.00 0.00 N ATOM 1603 CA SER A 105 -5.657 20.441 1.944 1.00 0.00 C ATOM 1604 C SER A 105 -4.338 20.224 1.209 1.00 0.00 C ATOM 1605 O SER A 105 -4.262 19.426 0.275 1.00 0.00 O ATOM 1606 CB SER A 105 -5.464 20.208 3.442 1.00 0.00 C ATOM 1607 OG SER A 105 -6.707 20.004 4.091 1.00 0.00 O ATOM 0 H SER A 105 -6.337 18.740 0.926 1.00 0.00 H new ATOM 0 HA SER A 105 -5.978 21.470 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.822 19.341 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.956 21.065 3.884 1.00 0.00 H new ATOM 0 HG SER A 105 -7.384 20.591 3.693 1.00 0.00 H new ATOM 1613 N GLU A 106 -3.302 20.936 1.637 1.00 0.00 N ATOM 1614 CA GLU A 106 -1.987 20.818 1.019 1.00 0.00 C ATOM 1615 C GLU A 106 -1.211 19.625 1.583 1.00 0.00 C ATOM 1616 O GLU A 106 -0.612 18.860 0.828 1.00 0.00 O ATOM 1617 CB GLU A 106 -1.185 22.108 1.212 1.00 0.00 C ATOM 1618 CG GLU A 106 -1.714 23.279 0.401 1.00 0.00 C ATOM 1619 CD GLU A 106 -0.634 23.956 -0.421 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -0.272 23.414 -1.487 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -0.154 25.030 -0.002 1.00 0.00 O ATOM 0 H GLU A 106 -3.347 21.601 2.409 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.136 20.651 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.192 22.376 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.146 21.925 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.504 22.929 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.164 24.009 1.074 1.00 0.00 H new ATOM 1628 N PRO A 107 -1.209 19.444 2.918 1.00 0.00 N ATOM 1629 CA PRO A 107 -0.498 18.331 3.558 1.00 0.00 C ATOM 1630 C PRO A 107 -0.997 16.974 3.072 1.00 0.00 C ATOM 1631 O PRO A 107 -1.965 16.892 2.316 1.00 0.00 O ATOM 1632 CB PRO A 107 -0.805 18.507 5.050 1.00 0.00 C ATOM 1633 CG PRO A 107 -1.217 19.931 5.196 1.00 0.00 C ATOM 1634 CD PRO A 107 -1.893 20.297 3.907 1.00 0.00 C ATOM 0 HA PRO A 107 0.567 18.348 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.598 17.832 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.070 18.285 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.893 20.057 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.354 20.571 5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.964 20.095 3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.775 21.356 3.676 1.00 0.00 H new ATOM 1642 N GLY A 108 -0.331 15.912 3.513 1.00 0.00 N ATOM 1643 CA GLY A 108 -0.723 14.573 3.113 1.00 0.00 C ATOM 1644 C GLY A 108 0.154 14.014 2.010 1.00 0.00 C ATOM 1645 O GLY A 108 -0.168 14.138 0.828 1.00 0.00 O ATOM 0 H GLY A 108 0.473 15.954 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.678 13.912 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.760 14.587 2.776 1.00 0.00 H new ATOM 1649 N ASP A 109 1.265 13.394 2.396 1.00 0.00 N ATOM 1650 CA ASP A 109 2.191 12.812 1.431 1.00 0.00 C ATOM 1651 C ASP A 109 2.310 11.305 1.635 1.00 0.00 C ATOM 1652 O ASP A 109 1.945 10.519 0.759 1.00 0.00 O ATOM 1653 CB ASP A 109 3.569 13.465 1.557 1.00 0.00 C ATOM 1654 CG ASP A 109 4.253 13.632 0.214 1.00 0.00 C ATOM 1655 OD1 ASP A 109 4.173 12.699 -0.613 1.00 0.00 O ATOM 1656 OD2 ASP A 109 4.868 14.695 -0.010 1.00 0.00 O ATOM 0 H ASP A 109 1.546 13.282 3.370 1.00 0.00 H new ATOM 0 HA ASP A 109 1.799 12.997 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.464 14.440 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.197 12.859 2.209 1.00 0.00 H new ATOM 1661 N ALA A 110 2.821 10.908 2.796 1.00 0.00 N ATOM 1662 CA ALA A 110 2.986 9.496 3.116 1.00 0.00 C ATOM 1663 C ALA A 110 2.261 9.141 4.409 1.00 0.00 C ATOM 1664 O ALA A 110 1.641 9.999 5.039 1.00 0.00 O ATOM 1665 CB ALA A 110 4.463 9.149 3.225 1.00 0.00 C ATOM 0 H ALA A 110 3.128 11.545 3.531 1.00 0.00 H new ATOM 0 HA ALA A 110 2.546 8.911 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.572 8.091 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.957 9.359 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.920 9.748 4.012 1.00 0.00 H new ATOM 1671 N GLY A 111 2.341 7.874 4.799 1.00 0.00 N ATOM 1672 CA GLY A 111 1.685 7.433 6.015 1.00 0.00 C ATOM 1673 C GLY A 111 1.925 5.964 6.306 1.00 0.00 C ATOM 1674 O GLY A 111 3.005 5.581 6.757 1.00 0.00 O ATOM 0 H GLY A 111 2.848 7.146 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.044 8.029 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.613 7.613 5.931 1.00 0.00 H new ATOM 1678 N GLY A 112 0.915 5.139 6.048 1.00 0.00 N ATOM 1679 CA GLY A 112 1.041 3.714 6.294 1.00 0.00 C ATOM 1680 C GLY A 112 0.326 2.876 5.253 1.00 0.00 C ATOM 1681 O GLY A 112 0.788 2.753 4.119 1.00 0.00 O ATOM 0 H GLY A 112 0.012 5.431 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.097 3.444 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.638 3.483 7.280 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.804 2.292 5.642 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.583 1.456 4.736 1.00 0.00 C ATOM 1687 C ILE A 113 -3.032 1.923 4.655 1.00 0.00 C ATOM 1688 O ILE A 113 -3.597 2.407 5.637 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.555 -0.022 5.173 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -2.142 -0.175 6.577 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.134 -0.561 5.125 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -3.612 -0.537 6.582 1.00 0.00 C ATOM 0 H ILE A 113 -1.200 2.383 6.578 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.123 1.548 3.752 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.166 -0.601 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.585 -0.944 7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.004 0.758 7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.130 -1.606 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.250 -0.484 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.498 0.020 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.961 -0.629 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.180 0.242 6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.755 -1.485 6.064 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.629 1.773 3.476 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.015 2.176 3.260 1.00 0.00 C ATOM 1706 C LEU A 114 -5.969 1.042 3.619 1.00 0.00 C ATOM 1707 O LEU A 114 -5.951 -0.016 2.988 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.222 2.586 1.803 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.661 2.937 1.433 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.160 4.085 2.296 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.760 3.286 -0.043 1.00 0.00 C ATOM 0 H LEU A 114 -3.174 1.375 2.655 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.229 3.027 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.587 3.446 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.885 1.773 1.160 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.293 2.068 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.187 4.326 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.123 3.794 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.528 4.959 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.792 3.534 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.120 4.142 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.439 2.433 -0.641 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.796 1.263 4.638 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.748 0.247 5.079 1.00 0.00 C ATOM 1725 C ARG A 115 -9.195 0.721 4.952 1.00 0.00 C ATOM 1726 O ARG A 115 -9.505 1.887 5.194 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.460 -0.153 6.527 1.00 0.00 C ATOM 1728 CG ARG A 115 -7.532 1.006 7.507 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.676 0.746 8.737 1.00 0.00 C ATOM 1730 NE ARG A 115 -7.096 1.556 9.878 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.763 2.833 10.043 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -6.009 3.452 9.142 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.185 3.496 11.112 1.00 0.00 N ATOM 0 H ARG A 115 -6.826 2.132 5.171 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.624 -0.617 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.173 -0.919 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.468 -0.601 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.199 1.921 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.567 1.165 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.733 -0.310 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.633 0.961 8.505 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.679 1.116 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.682 2.948 8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.757 4.432 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.765 3.026 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.930 4.475 11.238 1.00 0.00 H new ATOM 1747 N CYS A 116 -10.078 -0.209 4.597 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.502 0.076 4.462 1.00 0.00 C ATOM 1749 C CYS A 116 -12.257 -0.575 5.616 1.00 0.00 C ATOM 1750 O CYS A 116 -11.708 -1.426 6.317 1.00 0.00 O ATOM 1751 CB CYS A 116 -12.036 -0.455 3.121 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.740 0.057 2.724 1.00 0.00 S ATOM 0 H CYS A 116 -9.827 -1.177 4.396 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.652 1.155 4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.374 -0.118 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.992 -1.544 3.133 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.512 -0.189 5.811 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.318 -0.759 6.884 1.00 0.00 C ATOM 1759 C GLU A 117 -14.369 -2.283 6.776 1.00 0.00 C ATOM 1760 O GLU A 117 -14.706 -2.970 7.741 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.736 -0.184 6.844 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.517 -0.405 8.129 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.986 -0.686 7.876 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -18.692 0.228 7.401 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -18.429 -1.821 8.154 1.00 0.00 O ATOM 0 H GLU A 117 -13.991 0.511 5.245 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.854 -0.496 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.680 0.886 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.280 -0.637 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.080 -1.240 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.423 0.476 8.763 1.00 0.00 H new ATOM 1772 N HIS A 118 -14.035 -2.806 5.597 1.00 0.00 N ATOM 1773 CA HIS A 118 -14.046 -4.245 5.369 1.00 0.00 C ATOM 1774 C HIS A 118 -12.682 -4.870 5.669 1.00 0.00 C ATOM 1775 O HIS A 118 -12.608 -5.985 6.186 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.455 -4.546 3.926 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.800 -3.997 3.561 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -16.032 -2.656 3.339 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.992 -4.615 3.381 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.305 -2.472 3.038 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.909 -3.646 3.057 1.00 0.00 N ATOM 0 H HIS A 118 -13.754 -2.253 4.787 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.774 -4.686 6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.707 -4.132 3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.458 -5.625 3.775 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -15.329 -1.919 3.398 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.185 -5.673 3.475 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.772 -1.524 2.815 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.897 -3.807 2.862 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.604 -4.155 5.344 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.270 -4.683 5.599 1.00 0.00 C ATOM 1791 C GLY A 119 -9.155 -3.781 5.102 1.00 0.00 C ATOM 1792 O GLY A 119 -9.228 -2.560 5.223 1.00 0.00 O ATOM 0 H GLY A 119 -11.629 -3.230 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.149 -4.840 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.177 -5.659 5.122 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.113 -4.399 4.554 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.950 -3.675 4.039 1.00 0.00 C ATOM 1798 C VAL A 120 -6.999 -3.540 2.520 1.00 0.00 C ATOM 1799 O VAL A 120 -7.294 -4.502 1.813 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.629 -4.381 4.410 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.454 -3.439 4.231 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.670 -4.931 5.827 1.00 0.00 C ATOM 0 H VAL A 120 -8.049 -5.412 4.453 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.984 -2.688 4.500 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.501 -5.226 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.531 -3.954 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.402 -3.115 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.583 -2.570 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.724 -5.421 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.833 -4.114 6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.483 -5.652 5.914 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.688 -2.347 2.020 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.677 -2.106 0.581 1.00 0.00 C ATOM 1814 C ILE A 121 -5.257 -2.183 0.038 1.00 0.00 C ATOM 1815 O ILE A 121 -4.940 -3.059 -0.763 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.284 -0.736 0.212 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.772 -0.715 0.543 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.068 -0.424 -1.264 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.047 -0.562 2.016 1.00 0.00 C ATOM 0 H ILE A 121 -6.441 -1.536 2.587 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.293 -2.884 0.129 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.779 0.031 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.247 0.105 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.230 -1.638 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.505 0.547 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.000 -0.402 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.545 -1.193 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.124 -0.554 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.600 -1.395 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.617 0.374 2.371 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.405 -1.260 0.473 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.033 -1.253 0.001 1.00 0.00 C ATOM 1833 C GLY A 122 -2.114 -0.395 0.847 1.00 0.00 C ATOM 1834 O GLY A 122 -2.475 0.019 1.948 1.00 0.00 O ATOM 0 H GLY A 122 -4.638 -0.523 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.655 -2.275 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.011 -0.892 -1.027 1.00 0.00 H new ATOM 1838 N LEU A 123 -0.919 -0.130 0.325 1.00 0.00 N ATOM 1839 CA LEU A 123 0.066 0.683 1.029 1.00 0.00 C ATOM 1840 C LEU A 123 0.375 1.958 0.251 1.00 0.00 C ATOM 1841 O LEU A 123 0.053 2.071 -0.932 1.00 0.00 O ATOM 1842 CB LEU A 123 1.352 -0.114 1.259 1.00 0.00 C ATOM 1843 CG LEU A 123 1.757 -1.038 0.110 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.254 -1.300 0.137 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.983 -2.346 0.183 1.00 0.00 C ATOM 0 H LEU A 123 -0.610 -0.468 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.355 0.961 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.166 0.586 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.233 -0.713 2.162 1.00 0.00 H new ATOM 0 HG LEU A 123 1.514 -0.545 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.523 -1.959 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.790 -0.356 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.524 -1.772 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.283 -2.993 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.196 -2.843 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.085 -2.141 0.114 1.00 0.00 H new ATOM 1857 N VAL A 124 0.995 2.920 0.928 1.00 0.00 N ATOM 1858 CA VAL A 124 1.342 4.196 0.310 1.00 0.00 C ATOM 1859 C VAL A 124 2.285 4.017 -0.877 1.00 0.00 C ATOM 1860 O VAL A 124 3.462 3.698 -0.706 1.00 0.00 O ATOM 1861 CB VAL A 124 1.992 5.148 1.333 1.00 0.00 C ATOM 1862 CG1 VAL A 124 3.279 4.550 1.884 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.252 6.514 0.711 1.00 0.00 C ATOM 0 H VAL A 124 1.268 2.840 1.907 1.00 0.00 H new ATOM 0 HA VAL A 124 0.410 4.631 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 124 1.298 5.281 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.721 5.239 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.059 3.603 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.980 4.380 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.711 7.169 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.922 6.404 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.309 6.947 0.378 1.00 0.00 H new ATOM 1873 N THR A 125 1.765 4.244 -2.081 1.00 0.00 N ATOM 1874 CA THR A 125 2.568 4.130 -3.293 1.00 0.00 C ATOM 1875 C THR A 125 3.185 5.487 -3.635 1.00 0.00 C ATOM 1876 O THR A 125 4.296 5.792 -3.199 1.00 0.00 O ATOM 1877 CB THR A 125 1.719 3.596 -4.458 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.584 2.191 -4.369 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.287 3.907 -5.829 1.00 0.00 C ATOM 0 H THR A 125 0.793 4.507 -2.242 1.00 0.00 H new ATOM 0 HA THR A 125 3.374 3.417 -3.120 1.00 0.00 H new ATOM 0 HB THR A 125 0.760 4.105 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.471 1.781 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.630 3.497 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.362 4.987 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.277 3.461 -5.922 1.00 0.00 H new ATOM 1887 N MET A 126 2.467 6.306 -4.403 1.00 0.00 N ATOM 1888 CA MET A 126 2.971 7.625 -4.768 1.00 0.00 C ATOM 1889 C MET A 126 1.946 8.711 -4.462 1.00 0.00 C ATOM 1890 O MET A 126 0.764 8.430 -4.276 1.00 0.00 O ATOM 1891 CB MET A 126 3.357 7.662 -6.246 1.00 0.00 C ATOM 1892 CG MET A 126 4.842 7.852 -6.472 1.00 0.00 C ATOM 1893 SD MET A 126 5.260 9.555 -6.879 1.00 0.00 S ATOM 1894 CE MET A 126 6.946 9.610 -6.300 1.00 0.00 C ATOM 0 H MET A 126 1.546 6.081 -4.779 1.00 0.00 H new ATOM 0 HA MET A 126 3.860 7.820 -4.168 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.040 6.733 -6.721 1.00 0.00 H new ATOM 0 HB3 MET A 126 2.815 8.471 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 126 5.385 7.551 -5.576 1.00 0.00 H new ATOM 0 HG3 MET A 126 5.171 7.197 -7.279 1.00 0.00 H new ATOM 0 HE1 MET A 126 7.033 10.348 -5.503 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.232 8.630 -5.919 1.00 0.00 H new ATOM 0 HE3 MET A 126 7.605 9.886 -7.124 1.00 0.00 H new ATOM 1904 N GLY A 127 2.408 9.956 -4.401 1.00 0.00 N ATOM 1905 CA GLY A 127 1.518 11.064 -4.111 1.00 0.00 C ATOM 1906 C GLY A 127 1.686 12.216 -5.080 1.00 0.00 C ATOM 1907 O GLY A 127 2.730 12.353 -5.718 1.00 0.00 O ATOM 0 H GLY A 127 3.383 10.217 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.486 10.714 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.703 11.418 -3.097 1.00 0.00 H new ATOM 1911 N GLY A 128 0.655 13.046 -5.192 1.00 0.00 N ATOM 1912 CA GLY A 128 0.714 14.184 -6.093 1.00 0.00 C ATOM 1913 C GLY A 128 0.679 15.508 -5.355 1.00 0.00 C ATOM 1914 O GLY A 128 1.078 15.587 -4.192 1.00 0.00 O ATOM 0 H GLY A 128 -0.220 12.952 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.626 14.126 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.124 14.137 -6.789 1.00 0.00 H new ATOM 1918 N GLU A 129 0.200 16.548 -6.028 1.00 0.00 N ATOM 1919 CA GLU A 129 0.115 17.873 -5.424 1.00 0.00 C ATOM 1920 C GLU A 129 -0.993 17.926 -4.375 1.00 0.00 C ATOM 1921 O GLU A 129 -1.005 18.809 -3.516 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.136 18.932 -6.500 1.00 0.00 C ATOM 1923 CG GLU A 129 0.790 18.812 -7.699 1.00 0.00 C ATOM 1924 CD GLU A 129 0.504 19.853 -8.762 1.00 0.00 C ATOM 1925 OE1 GLU A 129 0.640 21.059 -8.464 1.00 0.00 O ATOM 1926 OE2 GLU A 129 0.147 19.464 -9.894 1.00 0.00 O ATOM 0 H GLU A 129 -0.135 16.500 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 129 1.065 18.081 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.169 18.855 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.019 19.922 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.823 18.912 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.689 17.817 -8.133 1.00 0.00 H new ATOM 1933 N GLY A 130 -1.922 16.977 -4.447 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.017 16.935 -3.496 1.00 0.00 C ATOM 1935 C GLY A 130 -3.805 15.641 -3.573 1.00 0.00 C ATOM 1936 O GLY A 130 -4.997 15.614 -3.268 1.00 0.00 O ATOM 0 H GLY A 130 -1.935 16.236 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.623 17.057 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.686 17.775 -3.680 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.138 14.566 -3.983 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.787 13.265 -4.099 1.00 0.00 C ATOM 1942 C VAL A 131 -2.969 12.184 -3.395 1.00 0.00 C ATOM 1943 O VAL A 131 -1.764 12.338 -3.194 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.009 12.860 -5.573 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.230 11.963 -5.701 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.154 14.090 -6.459 1.00 0.00 C ATOM 0 H VAL A 131 -2.151 14.570 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.761 13.356 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.134 12.303 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.371 11.688 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.084 11.062 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.112 12.495 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.309 13.778 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.008 14.680 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.249 14.694 -6.395 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.635 11.096 -3.016 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.974 9.994 -2.322 1.00 0.00 C ATOM 1958 C VAL A 132 -2.939 8.740 -3.187 1.00 0.00 C ATOM 1959 O VAL A 132 -3.983 8.192 -3.526 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.698 9.636 -1.002 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -2.739 8.970 -0.033 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -4.349 10.856 -0.360 1.00 0.00 C ATOM 0 H VAL A 132 -4.632 10.954 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.960 10.333 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.495 8.934 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.265 8.725 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.346 8.057 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -1.915 9.649 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.846 10.559 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.585 11.601 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.082 11.281 -1.046 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.740 8.274 -3.520 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.611 7.071 -4.327 1.00 0.00 C ATOM 1974 C GLY A 133 -1.318 5.849 -3.477 1.00 0.00 C ATOM 1975 O GLY A 133 -0.350 5.835 -2.715 1.00 0.00 O ATOM 0 H GLY A 133 -0.857 8.705 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.531 6.910 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.812 7.207 -5.056 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.161 4.826 -3.591 1.00 0.00 N ATOM 1980 CA PHE A 134 -1.988 3.606 -2.808 1.00 0.00 C ATOM 1981 C PHE A 134 -1.928 2.367 -3.698 1.00 0.00 C ATOM 1982 O PHE A 134 -2.690 2.238 -4.655 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.136 3.462 -1.805 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.091 4.474 -0.697 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.021 4.503 0.180 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.111 5.399 -0.535 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -1.965 5.433 1.198 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.060 6.334 0.480 1.00 0.00 C ATOM 1989 CZ PHE A 134 -2.985 6.350 1.348 1.00 0.00 C ATOM 0 H PHE A 134 -2.968 4.817 -4.215 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.040 3.686 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.084 3.555 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.109 2.461 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.219 3.788 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.954 5.388 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.124 5.443 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.859 7.051 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.943 7.080 2.143 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.029 1.446 -3.358 1.00 0.00 N ATOM 2000 CA ALA A 135 -0.883 0.203 -4.107 1.00 0.00 C ATOM 2001 C ALA A 135 -1.817 -0.853 -3.535 1.00 0.00 C ATOM 2002 O ALA A 135 -1.603 -1.349 -2.430 1.00 0.00 O ATOM 2003 CB ALA A 135 0.561 -0.274 -4.063 1.00 0.00 C ATOM 0 H ALA A 135 -0.391 1.538 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.150 0.379 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.655 -1.203 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.208 0.484 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.856 -0.446 -3.028 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.872 -1.172 -4.278 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.863 -2.141 -3.820 1.00 0.00 C ATOM 2011 C ASP A 136 -3.301 -3.558 -3.736 1.00 0.00 C ATOM 2012 O ASP A 136 -2.506 -3.984 -4.572 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.081 -2.124 -4.745 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.389 -2.152 -3.978 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.491 -2.930 -3.006 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.311 -1.395 -4.349 1.00 0.00 O ATOM 0 H ASP A 136 -3.063 -0.775 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.156 -1.846 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.048 -1.231 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.037 -2.983 -5.415 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.755 -4.283 -2.717 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.350 -5.665 -2.491 1.00 0.00 C ATOM 2023 C VAL A 137 -4.450 -6.618 -2.954 1.00 0.00 C ATOM 2024 O VAL A 137 -4.380 -7.826 -2.738 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.055 -5.926 -0.997 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.424 -7.295 -0.792 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.163 -4.833 -0.428 1.00 0.00 C ATOM 0 H VAL A 137 -4.415 -3.927 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.440 -5.840 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.004 -5.911 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.228 -7.450 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.104 -8.067 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.487 -7.350 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.967 -5.035 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.220 -4.811 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.662 -3.869 -0.526 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.471 -6.055 -3.594 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.596 -6.833 -4.092 1.00 0.00 C ATOM 2039 C ARG A 138 -6.203 -7.665 -5.314 1.00 0.00 C ATOM 2040 O ARG A 138 -6.997 -8.470 -5.801 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.760 -5.899 -4.438 1.00 0.00 C ATOM 2042 CG ARG A 138 -8.361 -5.193 -3.228 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.726 -5.759 -2.869 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.679 -5.644 -3.974 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.992 -6.643 -4.800 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.422 -7.835 -4.667 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.878 -6.446 -5.766 1.00 0.00 N ATOM 0 H ARG A 138 -5.540 -5.054 -3.780 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.906 -7.523 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -7.413 -5.150 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.540 -6.475 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.689 -5.295 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.452 -4.127 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.621 -6.807 -2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -10.117 -5.234 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 138 -11.133 -4.742 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.738 -7.993 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.669 -8.592 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.318 -5.532 -5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.120 -7.208 -6.400 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.980 -7.469 -5.812 1.00 0.00 N ATOM 2062 CA ASP A 139 -4.506 -8.210 -6.979 1.00 0.00 C ATOM 2063 C ASP A 139 -3.652 -9.409 -6.568 1.00 0.00 C ATOM 2064 O ASP A 139 -3.200 -10.180 -7.416 1.00 0.00 O ATOM 2065 CB ASP A 139 -3.704 -7.293 -7.901 1.00 0.00 C ATOM 2066 CG ASP A 139 -3.692 -7.784 -9.336 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -2.809 -8.600 -9.677 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -4.565 -7.353 -10.118 1.00 0.00 O ATOM 0 H ASP A 139 -4.305 -6.808 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 139 -5.380 -8.582 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -4.126 -6.289 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -2.680 -7.221 -7.536 1.00 0.00 H new ATOM 2073 N LEU A 140 -3.442 -9.567 -5.267 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.654 -10.674 -4.742 1.00 0.00 C ATOM 2075 C LEU A 140 -3.054 -10.951 -3.300 1.00 0.00 C ATOM 2076 O LEU A 140 -2.270 -10.771 -2.371 1.00 0.00 O ATOM 2077 CB LEU A 140 -1.143 -10.392 -4.859 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.586 -9.161 -4.117 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.647 -8.098 -3.890 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.034 -9.569 -2.792 1.00 0.00 C ATOM 0 H LEU A 140 -3.809 -8.938 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.860 -11.562 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.609 -11.271 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.903 -10.284 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 140 0.184 -8.727 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -1.207 -7.251 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -2.039 -7.765 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.457 -8.515 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.421 -8.686 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.722 -10.044 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 140 0.849 -10.270 -2.972 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.301 -11.374 -3.129 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.847 -11.661 -1.811 1.00 0.00 C ATOM 2094 C LEU A 141 -4.374 -13.005 -1.264 1.00 0.00 C ATOM 2095 O LEU A 141 -4.535 -13.277 -0.077 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.373 -11.620 -1.850 1.00 0.00 C ATOM 2097 CG LEU A 141 -7.008 -10.604 -0.901 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.326 -10.638 0.458 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.943 -9.206 -1.497 1.00 0.00 C ATOM 0 H LEU A 141 -4.957 -11.526 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.477 -10.888 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.691 -11.395 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.756 -12.611 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.056 -10.872 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.793 -9.907 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.426 -11.634 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.269 -10.398 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.400 -8.495 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.902 -8.930 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.481 -9.189 -2.445 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.805 -13.849 -2.124 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.330 -15.163 -1.693 1.00 0.00 C ATOM 2113 C TRP A 142 -2.377 -15.044 -0.505 1.00 0.00 C ATOM 2114 O TRP A 142 -1.159 -15.101 -0.662 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.647 -15.911 -2.844 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.516 -15.163 -3.483 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.603 -14.059 -4.284 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.123 -15.479 -3.388 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.348 -13.667 -4.684 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.577 -14.522 -4.146 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.601 -16.478 -2.731 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.964 -14.536 -4.264 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.978 -16.490 -2.849 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.646 -15.524 -3.609 1.00 0.00 C ATOM 0 H TRP A 142 -3.663 -13.649 -3.114 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.203 -15.736 -1.379 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.271 -16.864 -2.470 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.392 -16.139 -3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.523 -13.567 -4.562 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.139 -12.869 -5.284 1.00 0.00 H new ATOM 0 HE3 TRP A 142 0.093 -17.227 -2.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.483 -13.793 -4.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.548 -17.258 -2.346 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.723 -15.559 -3.680 1.00 0.00 H new ATOM 2135 N LEU A 143 -2.955 -14.883 0.684 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.189 -14.757 1.921 1.00 0.00 C ATOM 2137 C LEU A 143 -3.026 -15.237 3.103 1.00 0.00 C ATOM 2138 O LEU A 143 -2.564 -16.022 3.930 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.760 -13.302 2.158 1.00 0.00 C ATOM 2140 CG LEU A 143 -0.933 -12.655 1.041 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.847 -12.034 -0.001 1.00 0.00 C ATOM 2142 CD2 LEU A 143 0.002 -11.600 1.615 1.00 0.00 C ATOM 0 H LEU A 143 -3.965 -14.836 0.816 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.295 -15.373 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.656 -12.701 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.182 -13.260 3.081 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.333 -13.429 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.245 -11.579 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.484 -12.806 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.468 -11.271 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.582 -11.150 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.583 -10.828 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.678 -12.065 2.333 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.265 -14.756 3.168 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.185 -15.126 4.239 1.00 0.00 C ATOM 2156 C GLU A 144 -6.632 -14.931 3.791 1.00 0.00 C ATOM 2157 O GLU A 144 -6.897 -14.671 2.617 1.00 0.00 O ATOM 2158 CB GLU A 144 -4.901 -14.292 5.491 1.00 0.00 C ATOM 2159 CG GLU A 144 -3.654 -14.727 6.242 1.00 0.00 C ATOM 2160 CD GLU A 144 -3.827 -14.657 7.747 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -4.533 -15.523 8.305 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -3.255 -13.736 8.368 1.00 0.00 O ATOM 0 H GLU A 144 -4.656 -14.105 2.487 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.035 -16.179 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.796 -13.246 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -5.759 -14.354 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -3.399 -15.748 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -2.817 -14.095 5.946 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.568 -15.057 4.729 1.00 0.00 N ATOM 2170 CA ASP A 145 -8.985 -14.894 4.420 1.00 0.00 C ATOM 2171 C ASP A 145 -9.264 -13.509 3.843 1.00 0.00 C ATOM 2172 O ASP A 145 -8.646 -12.521 4.242 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.830 -15.115 5.676 1.00 0.00 C ATOM 2174 CG ASP A 145 -11.104 -15.886 5.388 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -11.042 -17.131 5.320 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -12.163 -15.243 5.230 1.00 0.00 O ATOM 0 H ASP A 145 -7.371 -15.271 5.707 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.255 -15.639 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.241 -15.656 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.084 -14.150 6.114 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.199 -13.446 2.899 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.564 -12.184 2.260 1.00 0.00 C ATOM 2183 C ASP A 146 -11.907 -11.678 2.780 1.00 0.00 C ATOM 2184 O ASP A 146 -12.743 -12.460 3.230 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.623 -12.359 0.742 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.419 -13.582 0.330 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -10.832 -14.683 0.282 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -12.629 -13.438 0.057 1.00 0.00 O ATOM 0 H ASP A 146 -10.719 -14.255 2.559 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.801 -11.445 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.069 -11.471 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -9.610 -12.439 0.349 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.108 -10.365 2.715 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.349 -9.758 3.181 1.00 0.00 C ATOM 2195 C ALA A 147 -14.387 -9.698 2.064 1.00 0.00 C ATOM 2196 O ALA A 147 -14.070 -9.352 0.926 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.082 -8.364 3.729 1.00 0.00 C ATOM 0 H ALA A 147 -11.427 -9.702 2.344 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.750 -10.381 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.018 -7.923 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.383 -8.429 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.654 -7.740 2.944 1.00 0.00 H new ATOM 2203 N MET A 148 -15.627 -10.039 2.398 1.00 0.00 N ATOM 2204 CA MET A 148 -16.713 -10.025 1.425 1.00 0.00 C ATOM 2205 C MET A 148 -17.810 -9.052 1.846 1.00 0.00 C ATOM 2206 O MET A 148 -17.733 -8.436 2.910 1.00 0.00 O ATOM 2207 CB MET A 148 -17.292 -11.432 1.258 1.00 0.00 C ATOM 2208 CG MET A 148 -17.019 -12.043 -0.107 1.00 0.00 C ATOM 2209 SD MET A 148 -17.293 -13.824 -0.138 1.00 0.00 S ATOM 2210 CE MET A 148 -18.030 -14.023 -1.758 1.00 0.00 C ATOM 0 H MET A 148 -15.905 -10.329 3.336 1.00 0.00 H new ATOM 0 HA MET A 148 -16.309 -9.691 0.469 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.875 -12.081 2.028 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.369 -11.395 1.422 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.661 -11.568 -0.848 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.989 -11.833 -0.395 1.00 0.00 H new ATOM 0 HE1 MET A 148 -18.258 -15.075 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.949 -13.439 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 148 -17.332 -13.676 -2.520 1.00 0.00 H new ATOM 2220 N GLU A 149 -18.831 -8.919 1.006 1.00 0.00 N ATOM 2221 CA GLU A 149 -19.945 -8.022 1.291 1.00 0.00 C ATOM 2222 C GLU A 149 -21.190 -8.808 1.687 1.00 0.00 C ATOM 2223 O GLU A 149 -21.999 -8.345 2.491 1.00 0.00 O ATOM 2224 CB GLU A 149 -20.246 -7.145 0.073 1.00 0.00 C ATOM 2225 CG GLU A 149 -20.588 -5.707 0.429 1.00 0.00 C ATOM 2226 CD GLU A 149 -19.570 -4.715 -0.098 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -19.304 -4.730 -1.318 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -19.039 -3.924 0.709 1.00 0.00 O ATOM 0 H GLU A 149 -18.910 -9.421 0.122 1.00 0.00 H new ATOM 0 HA GLU A 149 -19.660 -7.384 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.382 -7.151 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -21.077 -7.581 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -21.571 -5.461 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -20.655 -5.612 1.513 1.00 0.00 H new ATOM 2235 N GLN A 150 -21.337 -9.999 1.118 1.00 0.00 N ATOM 2236 CA GLN A 150 -22.484 -10.851 1.411 1.00 0.00 C ATOM 2237 C GLN A 150 -22.509 -11.239 2.886 1.00 0.00 C ATOM 2238 O GLN A 150 -23.581 -11.105 3.514 1.00 0.00 O ATOM 2239 CB GLN A 150 -22.447 -12.109 0.542 1.00 0.00 C ATOM 2240 CG GLN A 150 -22.188 -11.825 -0.929 1.00 0.00 C ATOM 2241 CD GLN A 150 -23.077 -12.642 -1.847 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -22.717 -13.745 -2.259 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -24.246 -12.102 -2.173 1.00 0.00 N ATOM 2244 OXT GLN A 150 -21.459 -11.673 3.401 1.00 0.00 O ATOM 0 H GLN A 150 -20.676 -10.397 0.451 1.00 0.00 H new ATOM 0 HA GLN A 150 -23.390 -10.289 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -21.671 -12.777 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -23.396 -12.636 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -22.348 -10.765 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -21.144 -12.037 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -24.504 -11.185 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -24.886 -12.604 -2.788 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.978 -1.666 1.817 1.00 0.00 ZN