USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 959 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 NoAdj-H: A 101 HIS HE2 : A 101 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 56 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 66 SER OG : rot -32:sc= -0.592 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.951 K(o=0.95,f=-1.9) USER MOD Set 3.1: A 20 SER OG : rot 79:sc= 0.842 USER MOD Set 3.2: A 22 ASN : amide:sc= -2.14 K(o=-1.3,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 29:sc= 0.767 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 12 ASN : amide:sc= -0.588 K(o=-0.59,f=-1.9) USER MOD Single : A 15 SER OG : rot 11:sc= 0.325! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -84:sc= 0.833 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -148:sc= -5.62! (180deg=-12.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.641) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -97:sc= -0.904 USER MOD Single : A 65 SER OG : rot 110:sc= -0.816 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.331 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= -0.0368 (180deg=-0.255) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 83 THR OG1 : rot -54:sc= 1.29 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.896 X(o=-0.9,f=-0.93) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 34:sc= 0.259 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 81:sc= -7.27! USER MOD Single : A 103 SER OG : rot 150:sc= -4.08! USER MOD Single : A 104 MET CE :methyl 135:sc=-0.00634 (180deg=-0.665) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0663) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -165:sc= -0.55 (180deg=-1.27) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.511 -0.827 -9.603 1.00 0.00 N ATOM 2 CA GLY A 1 26.726 0.370 -8.811 1.00 0.00 C ATOM 3 C GLY A 1 27.023 0.059 -7.358 1.00 0.00 C ATOM 4 O GLY A 1 28.121 -0.386 -7.023 1.00 0.00 O ATOM 0 H1 GLY A 1 26.312 -0.560 -10.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.363 -1.422 -9.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.704 -1.358 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.555 0.938 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.842 1.004 -8.870 1.00 0.00 H new ATOM 8 N SER A 2 26.043 0.293 -6.491 1.00 0.00 N ATOM 9 CA SER A 2 26.207 0.040 -5.064 1.00 0.00 C ATOM 10 C SER A 2 24.851 -0.067 -4.372 1.00 0.00 C ATOM 11 O SER A 2 23.812 0.203 -4.974 1.00 0.00 O ATOM 12 CB SER A 2 27.035 1.152 -4.419 1.00 0.00 C ATOM 13 OG SER A 2 28.422 0.876 -4.514 1.00 0.00 O ATOM 0 H SER A 2 25.127 0.658 -6.752 1.00 0.00 H new ATOM 0 HA SER A 2 26.732 -0.908 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.816 2.102 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.753 1.259 -3.371 1.00 0.00 H new ATOM 0 HG SER A 2 28.594 0.336 -5.314 1.00 0.00 H new ATOM 19 N SER A 3 24.871 -0.463 -3.104 1.00 0.00 N ATOM 20 CA SER A 3 23.644 -0.610 -2.330 1.00 0.00 C ATOM 21 C SER A 3 23.713 0.207 -1.043 1.00 0.00 C ATOM 22 O SER A 3 22.778 0.932 -0.705 1.00 0.00 O ATOM 23 CB SER A 3 23.398 -2.084 -1.999 1.00 0.00 C ATOM 24 OG SER A 3 23.261 -2.855 -3.180 1.00 0.00 O ATOM 0 H SER A 3 25.723 -0.688 -2.591 1.00 0.00 H new ATOM 0 HA SER A 3 22.816 -0.237 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.225 -2.469 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.497 -2.179 -1.392 1.00 0.00 H new ATOM 0 HG SER A 3 23.106 -3.793 -2.942 1.00 0.00 H new ATOM 30 N GLY A 4 24.827 0.082 -0.329 1.00 0.00 N ATOM 31 CA GLY A 4 24.998 0.814 0.913 1.00 0.00 C ATOM 32 C GLY A 4 24.924 -0.085 2.131 1.00 0.00 C ATOM 33 O GLY A 4 24.093 -0.992 2.191 1.00 0.00 O ATOM 0 H GLY A 4 25.614 -0.513 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.961 1.325 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.230 1.584 0.986 1.00 0.00 H new ATOM 37 N SER A 5 25.794 0.165 3.103 1.00 0.00 N ATOM 38 CA SER A 5 25.827 -0.632 4.324 1.00 0.00 C ATOM 39 C SER A 5 24.737 -0.186 5.294 1.00 0.00 C ATOM 40 O SER A 5 24.757 0.940 5.791 1.00 0.00 O ATOM 41 CB SER A 5 27.198 -0.523 4.993 1.00 0.00 C ATOM 42 OG SER A 5 28.175 -1.261 4.279 1.00 0.00 O ATOM 0 H SER A 5 26.486 0.913 3.069 1.00 0.00 H new ATOM 0 HA SER A 5 25.645 -1.672 4.054 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.497 0.524 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.137 -0.891 6.017 1.00 0.00 H new ATOM 0 HG SER A 5 29.043 -1.173 4.726 1.00 0.00 H new ATOM 48 N SER A 6 23.787 -1.077 5.558 1.00 0.00 N ATOM 49 CA SER A 6 22.687 -0.775 6.466 1.00 0.00 C ATOM 50 C SER A 6 22.434 -1.938 7.420 1.00 0.00 C ATOM 51 O SER A 6 22.563 -3.103 7.045 1.00 0.00 O ATOM 52 CB SER A 6 21.415 -0.465 5.674 1.00 0.00 C ATOM 53 OG SER A 6 20.934 -1.620 5.009 1.00 0.00 O ATOM 0 H SER A 6 23.757 -2.014 5.156 1.00 0.00 H new ATOM 0 HA SER A 6 22.964 0.100 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.648 -0.083 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.619 0.320 4.945 1.00 0.00 H new ATOM 0 HG SER A 6 20.120 -1.396 4.512 1.00 0.00 H new ATOM 59 N GLY A 7 22.074 -1.613 8.658 1.00 0.00 N ATOM 60 CA GLY A 7 21.809 -2.640 9.648 1.00 0.00 C ATOM 61 C GLY A 7 20.524 -2.391 10.413 1.00 0.00 C ATOM 62 O GLY A 7 20.482 -2.544 11.633 1.00 0.00 O ATOM 0 H GLY A 7 21.961 -0.656 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.752 -3.610 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.642 -2.688 10.349 1.00 0.00 H new ATOM 66 N GLU A 8 19.475 -2.004 9.695 1.00 0.00 N ATOM 67 CA GLU A 8 18.184 -1.731 10.315 1.00 0.00 C ATOM 68 C GLU A 8 17.069 -2.503 9.615 1.00 0.00 C ATOM 69 O GLU A 8 17.213 -2.914 8.465 1.00 0.00 O ATOM 70 CB GLU A 8 17.882 -0.231 10.277 1.00 0.00 C ATOM 71 CG GLU A 8 18.730 0.585 11.239 1.00 0.00 C ATOM 72 CD GLU A 8 18.044 1.862 11.682 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.796 1.883 11.717 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.754 2.841 11.993 1.00 0.00 O ATOM 0 H GLU A 8 19.494 -1.872 8.684 1.00 0.00 H new ATOM 0 HA GLU A 8 18.232 -2.059 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.041 0.138 9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.829 -0.075 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.963 -0.020 12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 8 19.678 0.833 10.761 1.00 0.00 H new ATOM 81 N ASN A 9 15.958 -2.695 10.320 1.00 0.00 N ATOM 82 CA ASN A 9 14.819 -3.419 9.767 1.00 0.00 C ATOM 83 C ASN A 9 13.538 -2.602 9.905 1.00 0.00 C ATOM 84 O ASN A 9 13.337 -1.875 10.878 1.00 0.00 O ATOM 85 CB ASN A 9 14.656 -4.768 10.470 1.00 0.00 C ATOM 86 CG ASN A 9 15.960 -5.536 10.556 1.00 0.00 C ATOM 87 OD1 ASN A 9 16.813 -5.435 9.674 1.00 0.00 O ATOM 88 ND2 ASN A 9 16.121 -6.311 11.623 1.00 0.00 N ATOM 0 H ASN A 9 15.823 -2.360 11.274 1.00 0.00 H new ATOM 0 HA ASN A 9 15.008 -3.590 8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.266 -4.606 11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.919 -5.367 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.978 -6.852 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.388 -6.365 12.330 1.00 0.00 H new ATOM 95 N PRO A 10 12.647 -2.726 8.909 1.00 0.00 N ATOM 96 CA PRO A 10 11.369 -2.008 8.897 1.00 0.00 C ATOM 97 C PRO A 10 10.403 -2.526 9.956 1.00 0.00 C ATOM 98 O PRO A 10 10.801 -3.240 10.877 1.00 0.00 O ATOM 99 CB PRO A 10 10.822 -2.282 7.494 1.00 0.00 C ATOM 100 CG PRO A 10 11.457 -3.566 7.084 1.00 0.00 C ATOM 101 CD PRO A 10 12.820 -3.575 7.719 1.00 0.00 C ATOM 0 HA PRO A 10 11.494 -0.949 9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.735 -2.363 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.077 -1.477 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.865 -4.418 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.532 -3.635 5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.132 -4.584 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.579 -3.175 7.047 1.00 0.00 H new ATOM 109 N ARG A 11 9.132 -2.164 9.819 1.00 0.00 N ATOM 110 CA ARG A 11 8.109 -2.593 10.765 1.00 0.00 C ATOM 111 C ARG A 11 6.763 -2.772 10.067 1.00 0.00 C ATOM 112 O ARG A 11 6.362 -1.945 9.249 1.00 0.00 O ATOM 113 CB ARG A 11 7.975 -1.575 11.900 1.00 0.00 C ATOM 114 CG ARG A 11 7.546 -2.191 13.221 1.00 0.00 C ATOM 115 CD ARG A 11 7.815 -1.251 14.387 1.00 0.00 C ATOM 116 NE ARG A 11 7.274 0.084 14.150 1.00 0.00 N ATOM 117 CZ ARG A 11 7.478 1.115 14.963 1.00 0.00 C ATOM 118 NH1 ARG A 11 8.208 0.964 16.059 1.00 0.00 N ATOM 119 NH2 ARG A 11 6.952 2.299 14.679 1.00 0.00 N ATOM 0 H ARG A 11 8.786 -1.575 9.062 1.00 0.00 H new ATOM 0 HA ARG A 11 8.414 -3.553 11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.931 -1.069 12.038 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.250 -0.814 11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.484 -2.432 13.184 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.080 -3.128 13.377 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.375 -1.664 15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.890 -1.182 14.556 1.00 0.00 H new ATOM 0 HE ARG A 11 6.708 0.234 13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.615 0.055 16.280 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.363 1.757 16.682 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.390 2.419 13.836 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.109 3.090 15.304 1.00 0.00 H new ATOM 133 N ASN A 12 6.072 -3.858 10.396 1.00 0.00 N ATOM 134 CA ASN A 12 4.773 -4.147 9.800 1.00 0.00 C ATOM 135 C ASN A 12 4.925 -4.574 8.344 1.00 0.00 C ATOM 136 O ASN A 12 4.150 -4.163 7.480 1.00 0.00 O ATOM 137 CB ASN A 12 3.863 -2.920 9.891 1.00 0.00 C ATOM 138 CG ASN A 12 3.884 -2.286 11.268 1.00 0.00 C ATOM 139 OD1 ASN A 12 4.696 -1.403 11.545 1.00 0.00 O ATOM 140 ND2 ASN A 12 2.988 -2.734 12.140 1.00 0.00 N ATOM 0 H ASN A 12 6.390 -4.553 11.072 1.00 0.00 H new ATOM 0 HA ASN A 12 4.321 -4.969 10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.175 -2.184 9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.842 -3.209 9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.954 -2.345 13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.334 -3.468 11.868 1.00 0.00 H new ATOM 147 N VAL A 13 5.929 -5.403 8.078 1.00 0.00 N ATOM 148 CA VAL A 13 6.183 -5.889 6.726 1.00 0.00 C ATOM 149 C VAL A 13 5.721 -7.333 6.565 1.00 0.00 C ATOM 150 O VAL A 13 5.223 -7.945 7.509 1.00 0.00 O ATOM 151 CB VAL A 13 7.678 -5.796 6.368 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.013 -4.415 5.825 1.00 0.00 C ATOM 153 CG2 VAL A 13 8.537 -6.123 7.580 1.00 0.00 C ATOM 0 H VAL A 13 6.580 -5.753 8.781 1.00 0.00 H new ATOM 0 HA VAL A 13 5.615 -5.252 6.048 1.00 0.00 H new ATOM 0 HB VAL A 13 7.893 -6.528 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.074 -4.369 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.423 -4.223 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.783 -3.662 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.590 -6.052 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.320 -5.416 8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.317 -7.135 7.920 1.00 0.00 H new ATOM 163 N GLY A 14 5.892 -7.872 5.362 1.00 0.00 N ATOM 164 CA GLY A 14 5.488 -9.241 5.098 1.00 0.00 C ATOM 165 C GLY A 14 4.805 -9.395 3.754 1.00 0.00 C ATOM 166 O GLY A 14 4.873 -8.502 2.909 1.00 0.00 O ATOM 0 H GLY A 14 6.303 -7.385 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.364 -9.888 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.813 -9.576 5.886 1.00 0.00 H new ATOM 170 N SER A 15 4.145 -10.532 3.554 1.00 0.00 N ATOM 171 CA SER A 15 3.451 -10.802 2.301 1.00 0.00 C ATOM 172 C SER A 15 2.327 -11.813 2.509 1.00 0.00 C ATOM 173 O SER A 15 2.552 -12.914 3.014 1.00 0.00 O ATOM 174 CB SER A 15 4.434 -11.325 1.252 1.00 0.00 C ATOM 175 OG SER A 15 4.781 -12.676 1.506 1.00 0.00 O ATOM 0 H SER A 15 4.077 -11.280 4.244 1.00 0.00 H new ATOM 0 HA SER A 15 3.015 -9.868 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.991 -11.241 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.333 -10.709 1.253 1.00 0.00 H new ATOM 0 HG SER A 15 4.188 -13.042 2.195 1.00 0.00 H new ATOM 181 N LEU A 16 1.117 -11.431 2.117 1.00 0.00 N ATOM 182 CA LEU A 16 -0.044 -12.302 2.260 1.00 0.00 C ATOM 183 C LEU A 16 -0.160 -13.255 1.074 1.00 0.00 C ATOM 184 O LEU A 16 0.533 -13.097 0.069 1.00 0.00 O ATOM 185 CB LEU A 16 -1.320 -11.468 2.385 1.00 0.00 C ATOM 186 CG LEU A 16 -1.461 -10.644 3.665 1.00 0.00 C ATOM 187 CD1 LEU A 16 -2.284 -9.392 3.407 1.00 0.00 C ATOM 188 CD2 LEU A 16 -2.089 -11.479 4.772 1.00 0.00 C ATOM 0 H LEU A 16 0.914 -10.524 1.698 1.00 0.00 H new ATOM 0 HA LEU A 16 0.086 -12.893 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.372 -10.790 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.177 -12.138 2.312 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.466 -10.339 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.373 -8.819 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.793 -8.784 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.277 -9.675 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.181 -10.876 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.077 -11.816 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.459 -12.345 4.977 1.00 0.00 H new ATOM 200 N ASP A 17 -1.041 -14.241 1.198 1.00 0.00 N ATOM 201 CA ASP A 17 -1.251 -15.217 0.135 1.00 0.00 C ATOM 202 C ASP A 17 -1.664 -14.528 -1.162 1.00 0.00 C ATOM 203 O ASP A 17 -2.818 -14.133 -1.328 1.00 0.00 O ATOM 204 CB ASP A 17 -2.316 -16.233 0.549 1.00 0.00 C ATOM 205 CG ASP A 17 -2.371 -17.427 -0.384 1.00 0.00 C ATOM 206 OD1 ASP A 17 -1.371 -17.674 -1.090 1.00 0.00 O ATOM 207 OD2 ASP A 17 -3.414 -18.113 -0.409 1.00 0.00 O ATOM 0 H ASP A 17 -1.621 -14.386 2.024 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.310 -15.739 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.111 -16.577 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.291 -15.746 0.569 1.00 0.00 H new ATOM 212 N LYS A 18 -0.713 -14.386 -2.080 1.00 0.00 N ATOM 213 CA LYS A 18 -0.977 -13.745 -3.362 1.00 0.00 C ATOM 214 C LYS A 18 -2.021 -14.524 -4.156 1.00 0.00 C ATOM 215 O LYS A 18 -2.846 -13.940 -4.859 1.00 0.00 O ATOM 216 CB LYS A 18 0.315 -13.630 -4.174 1.00 0.00 C ATOM 217 CG LYS A 18 0.731 -14.929 -4.843 1.00 0.00 C ATOM 218 CD LYS A 18 2.233 -14.989 -5.058 1.00 0.00 C ATOM 219 CE LYS A 18 2.942 -15.617 -3.868 1.00 0.00 C ATOM 220 NZ LYS A 18 3.065 -17.094 -4.011 1.00 0.00 N ATOM 0 H LYS A 18 0.248 -14.707 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.366 -12.746 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.187 -12.863 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.118 -13.296 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.417 -15.773 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.221 -15.025 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.450 -15.565 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.618 -13.983 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.934 -15.178 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.394 -15.385 -2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.554 -17.484 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.117 -17.516 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.610 -17.316 -4.869 1.00 0.00 H new ATOM 234 N THR A 19 -1.981 -15.848 -4.037 1.00 0.00 N ATOM 235 CA THR A 19 -2.923 -16.707 -4.743 1.00 0.00 C ATOM 236 C THR A 19 -4.359 -16.398 -4.337 1.00 0.00 C ATOM 237 O THR A 19 -5.251 -16.326 -5.183 1.00 0.00 O ATOM 238 CB THR A 19 -2.635 -18.196 -4.474 1.00 0.00 C ATOM 239 OG1 THR A 19 -2.794 -18.482 -3.079 1.00 0.00 O ATOM 240 CG2 THR A 19 -1.226 -18.563 -4.914 1.00 0.00 C ATOM 0 H THR A 19 -1.306 -16.348 -3.458 1.00 0.00 H new ATOM 0 HA THR A 19 -2.798 -16.506 -5.807 1.00 0.00 H new ATOM 0 HB THR A 19 -3.345 -18.790 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.964 -18.266 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.046 -19.619 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.117 -18.372 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.504 -17.961 -4.362 1.00 0.00 H new ATOM 248 N SER A 20 -4.577 -16.215 -3.039 1.00 0.00 N ATOM 249 CA SER A 20 -5.907 -15.916 -2.521 1.00 0.00 C ATOM 250 C SER A 20 -6.509 -14.710 -3.236 1.00 0.00 C ATOM 251 O SER A 20 -6.046 -13.581 -3.074 1.00 0.00 O ATOM 252 CB SER A 20 -5.843 -15.651 -1.016 1.00 0.00 C ATOM 253 OG SER A 20 -5.992 -16.853 -0.280 1.00 0.00 O ATOM 0 H SER A 20 -3.849 -16.269 -2.326 1.00 0.00 H new ATOM 0 HA SER A 20 -6.545 -16.781 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.891 -15.183 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.627 -14.948 -0.734 1.00 0.00 H new ATOM 0 HG SER A 20 -5.144 -17.344 -0.280 1.00 0.00 H new ATOM 259 N LYS A 21 -7.547 -14.958 -4.028 1.00 0.00 N ATOM 260 CA LYS A 21 -8.216 -13.895 -4.768 1.00 0.00 C ATOM 261 C LYS A 21 -8.813 -12.862 -3.817 1.00 0.00 C ATOM 262 O LYS A 21 -9.148 -11.751 -4.224 1.00 0.00 O ATOM 263 CB LYS A 21 -9.316 -14.479 -5.659 1.00 0.00 C ATOM 264 CG LYS A 21 -10.481 -15.064 -4.881 1.00 0.00 C ATOM 265 CD LYS A 21 -10.346 -16.569 -4.720 1.00 0.00 C ATOM 266 CE LYS A 21 -11.605 -17.182 -4.127 1.00 0.00 C ATOM 267 NZ LYS A 21 -11.671 -18.651 -4.364 1.00 0.00 N ATOM 0 H LYS A 21 -7.943 -15.887 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.474 -13.400 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.688 -13.698 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.886 -15.255 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.535 -14.596 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.414 -14.835 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.141 -17.023 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.494 -16.792 -4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.635 -16.985 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.482 -16.704 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.543 -19.031 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.668 -18.838 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.847 -19.111 -3.926 1.00 0.00 H new ATOM 281 N ASN A 22 -8.942 -13.237 -2.549 1.00 0.00 N ATOM 282 CA ASN A 22 -9.497 -12.343 -1.540 1.00 0.00 C ATOM 283 C ASN A 22 -8.503 -11.242 -1.182 1.00 0.00 C ATOM 284 O ASN A 22 -8.891 -10.152 -0.762 1.00 0.00 O ATOM 285 CB ASN A 22 -9.878 -13.130 -0.284 1.00 0.00 C ATOM 286 CG ASN A 22 -8.872 -14.217 0.044 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.876 -15.286 -0.567 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.005 -13.947 1.012 1.00 0.00 N ATOM 0 H ASN A 22 -8.670 -14.154 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.392 -11.879 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.957 -12.445 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.861 -13.579 -0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.304 -14.639 1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.039 -13.047 1.491 1.00 0.00 H new ATOM 295 N VAL A 23 -7.217 -11.536 -1.352 1.00 0.00 N ATOM 296 CA VAL A 23 -6.167 -10.571 -1.048 1.00 0.00 C ATOM 297 C VAL A 23 -5.458 -10.113 -2.318 1.00 0.00 C ATOM 298 O VAL A 23 -4.951 -10.928 -3.087 1.00 0.00 O ATOM 299 CB VAL A 23 -5.126 -11.161 -0.078 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.913 -12.641 -0.358 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.814 -10.397 -0.174 1.00 0.00 C ATOM 0 H VAL A 23 -6.878 -12.434 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.650 -9.716 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.505 -11.059 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.174 -13.040 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.855 -13.174 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.557 -12.770 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.091 -10.828 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.427 -10.464 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.983 -9.351 0.082 1.00 0.00 H new ATOM 311 N GLY A 24 -5.427 -8.801 -2.531 1.00 0.00 N ATOM 312 CA GLY A 24 -4.778 -8.256 -3.709 1.00 0.00 C ATOM 313 C GLY A 24 -3.295 -8.023 -3.498 1.00 0.00 C ATOM 314 O GLY A 24 -2.814 -8.017 -2.365 1.00 0.00 O ATOM 0 H GLY A 24 -5.840 -8.106 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.920 -8.939 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.256 -7.315 -3.980 1.00 0.00 H new ATOM 318 N THR A 25 -2.566 -7.832 -4.594 1.00 0.00 N ATOM 319 CA THR A 25 -1.128 -7.601 -4.524 1.00 0.00 C ATOM 320 C THR A 25 -0.711 -6.456 -5.440 1.00 0.00 C ATOM 321 O THR A 25 -0.663 -6.610 -6.660 1.00 0.00 O ATOM 322 CB THR A 25 -0.337 -8.865 -4.908 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.826 -9.992 -4.173 1.00 0.00 O ATOM 324 CG2 THR A 25 1.148 -8.679 -4.632 1.00 0.00 C ATOM 0 H THR A 25 -2.948 -7.833 -5.540 1.00 0.00 H new ATOM 0 HA THR A 25 -0.899 -7.339 -3.491 1.00 0.00 H new ATOM 0 HB THR A 25 -0.473 -9.041 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.318 -10.792 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.686 -9.585 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.524 -7.839 -5.216 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.299 -8.480 -3.571 1.00 0.00 H new ATOM 332 N GLY A 26 -0.409 -5.307 -4.843 1.00 0.00 N ATOM 333 CA GLY A 26 0.001 -4.152 -5.621 1.00 0.00 C ATOM 334 C GLY A 26 1.479 -3.850 -5.475 1.00 0.00 C ATOM 335 O GLY A 26 1.927 -3.396 -4.421 1.00 0.00 O ATOM 0 H GLY A 26 -0.441 -5.155 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.229 -4.326 -6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.577 -3.283 -5.307 1.00 0.00 H new ATOM 339 N LEU A 27 2.241 -4.104 -6.534 1.00 0.00 N ATOM 340 CA LEU A 27 3.679 -3.858 -6.519 1.00 0.00 C ATOM 341 C LEU A 27 4.032 -2.644 -7.372 1.00 0.00 C ATOM 342 O LEU A 27 3.839 -2.649 -8.588 1.00 0.00 O ATOM 343 CB LEU A 27 4.432 -5.089 -7.026 1.00 0.00 C ATOM 344 CG LEU A 27 5.955 -4.968 -7.083 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.488 -4.332 -5.808 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.591 -6.332 -7.307 1.00 0.00 C ATOM 0 H LEU A 27 1.887 -4.480 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 27 3.978 -3.655 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.178 -5.934 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.069 -5.326 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 27 6.218 -4.325 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.574 -4.254 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.059 -3.337 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.214 -4.949 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.675 -6.226 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.320 -6.999 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.234 -6.750 -8.248 1.00 0.00 H new ATOM 358 N VAL A 28 4.554 -1.606 -6.726 1.00 0.00 N ATOM 359 CA VAL A 28 4.938 -0.386 -7.426 1.00 0.00 C ATOM 360 C VAL A 28 6.295 0.119 -6.946 1.00 0.00 C ATOM 361 O VAL A 28 6.491 0.369 -5.758 1.00 0.00 O ATOM 362 CB VAL A 28 3.891 0.727 -7.231 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.653 0.448 -8.070 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.528 0.865 -5.760 1.00 0.00 C ATOM 0 H VAL A 28 4.721 -1.586 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 28 4.999 -0.635 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 28 4.322 1.671 -7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.924 1.245 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.930 0.404 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.217 -0.504 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.787 1.656 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.115 -0.076 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.421 1.115 -5.187 1.00 0.00 H new ATOM 374 N GLY A 29 7.229 0.267 -7.880 1.00 0.00 N ATOM 375 CA GLY A 29 8.556 0.742 -7.533 1.00 0.00 C ATOM 376 C GLY A 29 8.960 1.967 -8.329 1.00 0.00 C ATOM 377 O GLY A 29 8.239 2.396 -9.229 1.00 0.00 O ATOM 0 H GLY A 29 7.091 0.067 -8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.588 0.977 -6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.280 -0.054 -7.705 1.00 0.00 H new ATOM 381 N ALA A 30 10.116 2.532 -7.997 1.00 0.00 N ATOM 382 CA ALA A 30 10.615 3.714 -8.688 1.00 0.00 C ATOM 383 C ALA A 30 11.721 3.350 -9.672 1.00 0.00 C ATOM 384 O ALA A 30 12.647 2.604 -9.354 1.00 0.00 O ATOM 385 CB ALA A 30 11.117 4.740 -7.683 1.00 0.00 C ATOM 0 H ALA A 30 10.725 2.190 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 30 9.791 4.148 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.487 5.618 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.301 5.032 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.924 4.306 -7.092 1.00 0.00 H new ATOM 391 N PRO A 31 11.624 3.886 -10.897 1.00 0.00 N ATOM 392 CA PRO A 31 12.609 3.630 -11.953 1.00 0.00 C ATOM 393 C PRO A 31 13.953 4.289 -11.664 1.00 0.00 C ATOM 394 O PRO A 31 15.004 3.663 -11.802 1.00 0.00 O ATOM 395 CB PRO A 31 11.965 4.251 -13.196 1.00 0.00 C ATOM 396 CG PRO A 31 11.052 5.302 -12.665 1.00 0.00 C ATOM 397 CD PRO A 31 10.547 4.784 -11.347 1.00 0.00 C ATOM 0 HA PRO A 31 12.830 2.568 -12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.717 4.678 -13.860 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.417 3.505 -13.773 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.578 6.248 -12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.227 5.487 -13.353 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.375 5.593 -10.637 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.602 4.253 -11.460 1.00 0.00 H new ATOM 405 N ALA A 32 13.912 5.555 -11.262 1.00 0.00 N ATOM 406 CA ALA A 32 15.128 6.297 -10.951 1.00 0.00 C ATOM 407 C ALA A 32 15.752 5.807 -9.649 1.00 0.00 C ATOM 408 O ALA A 32 16.836 5.222 -9.650 1.00 0.00 O ATOM 409 CB ALA A 32 14.830 7.787 -10.868 1.00 0.00 C ATOM 0 H ALA A 32 13.050 6.088 -11.144 1.00 0.00 H new ATOM 0 HA ALA A 32 15.845 6.125 -11.754 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.747 8.329 -10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.437 8.133 -11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.093 7.968 -10.085 1.00 0.00 H new ATOM 415 N CYS A 33 15.063 6.051 -8.540 1.00 0.00 N ATOM 416 CA CYS A 33 15.550 5.636 -7.230 1.00 0.00 C ATOM 417 C CYS A 33 15.727 4.121 -7.170 1.00 0.00 C ATOM 418 O CYS A 33 16.487 3.606 -6.352 1.00 0.00 O ATOM 419 CB CYS A 33 14.583 6.091 -6.135 1.00 0.00 C ATOM 420 SG CYS A 33 15.350 6.266 -4.492 1.00 0.00 S ATOM 0 H CYS A 33 14.165 6.534 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 33 16.520 6.105 -7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.147 7.047 -6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.764 5.375 -6.068 1.00 0.00 H new ATOM 425 N GLY A 34 15.018 3.413 -8.045 1.00 0.00 N ATOM 426 CA GLY A 34 15.111 1.965 -8.075 1.00 0.00 C ATOM 427 C GLY A 34 14.583 1.324 -6.807 1.00 0.00 C ATOM 428 O GLY A 34 15.264 0.508 -6.185 1.00 0.00 O ATOM 0 H GLY A 34 14.382 3.816 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.552 1.586 -8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.151 1.674 -8.220 1.00 0.00 H new ATOM 432 N ASP A 35 13.366 1.693 -6.421 1.00 0.00 N ATOM 433 CA ASP A 35 12.747 1.149 -5.218 1.00 0.00 C ATOM 434 C ASP A 35 11.727 0.071 -5.572 1.00 0.00 C ATOM 435 O ASP A 35 11.199 0.043 -6.684 1.00 0.00 O ATOM 436 CB ASP A 35 12.074 2.263 -4.416 1.00 0.00 C ATOM 437 CG ASP A 35 13.042 3.364 -4.029 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.265 3.158 -4.178 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.576 4.431 -3.577 1.00 0.00 O ATOM 0 H ASP A 35 12.789 2.367 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 35 13.530 0.697 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.260 2.689 -5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.630 1.840 -3.515 1.00 0.00 H new ATOM 444 N VAL A 36 11.455 -0.815 -4.619 1.00 0.00 N ATOM 445 CA VAL A 36 10.497 -1.894 -4.830 1.00 0.00 C ATOM 446 C VAL A 36 9.552 -2.030 -3.642 1.00 0.00 C ATOM 447 O VAL A 36 9.882 -2.667 -2.643 1.00 0.00 O ATOM 448 CB VAL A 36 11.211 -3.240 -5.061 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.211 -4.311 -5.469 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.303 -3.090 -6.109 1.00 0.00 C ATOM 0 H VAL A 36 11.884 -0.807 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 36 9.922 -1.638 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 36 11.677 -3.550 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.733 -5.255 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.469 -4.435 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.714 -4.012 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.797 -4.050 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.862 -2.757 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.034 -2.355 -5.771 1.00 0.00 H new ATOM 460 N MET A 37 8.373 -1.427 -3.759 1.00 0.00 N ATOM 461 CA MET A 37 7.378 -1.482 -2.695 1.00 0.00 C ATOM 462 C MET A 37 6.255 -2.451 -3.050 1.00 0.00 C ATOM 463 O MET A 37 5.488 -2.212 -3.984 1.00 0.00 O ATOM 464 CB MET A 37 6.802 -0.089 -2.433 1.00 0.00 C ATOM 465 CG MET A 37 5.583 -0.096 -1.525 1.00 0.00 C ATOM 466 SD MET A 37 4.395 1.193 -1.948 1.00 0.00 S ATOM 467 CE MET A 37 3.829 1.679 -0.320 1.00 0.00 C ATOM 0 H MET A 37 8.084 -0.895 -4.580 1.00 0.00 H new ATOM 0 HA MET A 37 7.870 -1.840 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.575 0.536 -1.985 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.533 0.369 -3.385 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.095 -1.069 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.904 0.036 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.787 1.993 -0.376 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.917 0.834 0.363 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.438 2.506 0.045 1.00 0.00 H new ATOM 477 N LYS A 38 6.163 -3.544 -2.301 1.00 0.00 N ATOM 478 CA LYS A 38 5.133 -4.549 -2.536 1.00 0.00 C ATOM 479 C LYS A 38 4.010 -4.427 -1.511 1.00 0.00 C ATOM 480 O LYS A 38 4.165 -4.826 -0.355 1.00 0.00 O ATOM 481 CB LYS A 38 5.740 -5.953 -2.480 1.00 0.00 C ATOM 482 CG LYS A 38 4.819 -7.035 -3.018 1.00 0.00 C ATOM 483 CD LYS A 38 5.597 -8.272 -3.435 1.00 0.00 C ATOM 484 CE LYS A 38 4.909 -9.004 -4.577 1.00 0.00 C ATOM 485 NZ LYS A 38 5.602 -10.277 -4.918 1.00 0.00 N ATOM 0 H LYS A 38 6.790 -3.757 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 38 4.715 -4.380 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.669 -5.961 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.998 -6.187 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.088 -7.304 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.262 -6.649 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.603 -7.985 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.701 -8.942 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.876 -9.216 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.880 -8.360 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.102 -10.745 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.581 -10.073 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.608 -10.903 -4.087 1.00 0.00 H new ATOM 499 N LEU A 39 2.881 -3.876 -1.940 1.00 0.00 N ATOM 500 CA LEU A 39 1.731 -3.704 -1.059 1.00 0.00 C ATOM 501 C LEU A 39 0.773 -4.885 -1.177 1.00 0.00 C ATOM 502 O LEU A 39 0.720 -5.552 -2.209 1.00 0.00 O ATOM 503 CB LEU A 39 0.998 -2.403 -1.393 1.00 0.00 C ATOM 504 CG LEU A 39 0.395 -1.649 -0.207 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.389 -0.641 0.346 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.897 -0.957 -0.617 1.00 0.00 C ATOM 0 H LEU A 39 2.737 -3.540 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 39 2.095 -3.656 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.694 -1.738 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.198 -2.631 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 39 0.165 -2.369 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.942 -0.114 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.288 -1.161 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.651 0.076 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.312 -0.425 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.691 -0.248 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.614 -1.701 -0.965 1.00 0.00 H new ATOM 518 N GLN A 40 0.017 -5.135 -0.113 1.00 0.00 N ATOM 519 CA GLN A 40 -0.941 -6.235 -0.098 1.00 0.00 C ATOM 520 C GLN A 40 -2.051 -5.977 0.916 1.00 0.00 C ATOM 521 O GLN A 40 -1.820 -5.370 1.962 1.00 0.00 O ATOM 522 CB GLN A 40 -0.232 -7.551 0.227 1.00 0.00 C ATOM 523 CG GLN A 40 0.395 -8.220 -0.986 1.00 0.00 C ATOM 524 CD GLN A 40 0.800 -9.656 -0.716 1.00 0.00 C ATOM 525 OE1 GLN A 40 1.934 -9.929 -0.322 1.00 0.00 O ATOM 526 NE2 GLN A 40 -0.128 -10.582 -0.927 1.00 0.00 N ATOM 0 H GLN A 40 0.049 -4.591 0.749 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.390 -6.307 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.544 -7.362 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.947 -8.237 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.312 -8.196 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.271 -7.652 -1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.055 -10.310 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.086 -11.566 -0.762 1.00 0.00 H new ATOM 535 N ILE A 41 -3.254 -6.441 0.598 1.00 0.00 N ATOM 536 CA ILE A 41 -4.399 -6.261 1.482 1.00 0.00 C ATOM 537 C ILE A 41 -5.394 -7.408 1.334 1.00 0.00 C ATOM 538 O ILE A 41 -5.781 -7.766 0.222 1.00 0.00 O ATOM 539 CB ILE A 41 -5.122 -4.930 1.204 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.820 -4.979 -0.157 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.138 -3.771 1.259 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.243 -5.487 -0.088 1.00 0.00 C ATOM 0 H ILE A 41 -3.462 -6.944 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.012 -6.248 2.501 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.878 -4.776 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.820 -3.980 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.246 -5.619 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.664 -2.837 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.682 -3.727 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.362 -3.917 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.675 -5.495 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.249 -6.499 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.832 -4.834 0.557 1.00 0.00 H new ATOM 554 N GLN A 42 -5.805 -7.977 2.462 1.00 0.00 N ATOM 555 CA GLN A 42 -6.756 -9.083 2.457 1.00 0.00 C ATOM 556 C GLN A 42 -8.177 -8.579 2.690 1.00 0.00 C ATOM 557 O GLN A 42 -8.509 -8.107 3.778 1.00 0.00 O ATOM 558 CB GLN A 42 -6.383 -10.109 3.529 1.00 0.00 C ATOM 559 CG GLN A 42 -7.005 -11.477 3.302 1.00 0.00 C ATOM 560 CD GLN A 42 -6.990 -12.339 4.550 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.547 -11.965 5.583 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.351 -13.499 4.461 1.00 0.00 N ATOM 0 H GLN A 42 -5.495 -7.691 3.391 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.715 -9.561 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.298 -10.212 3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.695 -9.734 4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.034 -11.353 2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.466 -11.989 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.903 -13.769 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.308 -14.121 5.269 1.00 0.00 H new ATOM 571 N VAL A 43 -9.012 -8.683 1.662 1.00 0.00 N ATOM 572 CA VAL A 43 -10.398 -8.239 1.754 1.00 0.00 C ATOM 573 C VAL A 43 -11.310 -9.376 2.199 1.00 0.00 C ATOM 574 O VAL A 43 -11.199 -10.501 1.713 1.00 0.00 O ATOM 575 CB VAL A 43 -10.902 -7.687 0.408 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.363 -7.278 0.511 1.00 0.00 C ATOM 577 CG2 VAL A 43 -10.042 -6.516 -0.044 1.00 0.00 C ATOM 0 H VAL A 43 -8.753 -9.071 0.755 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.426 -7.442 2.497 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.823 -8.476 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.701 -6.890 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.965 -8.144 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.472 -6.505 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.413 -6.139 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.086 -5.723 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.010 -6.847 -0.162 1.00 0.00 H new ATOM 587 N ASP A 44 -12.213 -9.074 3.126 1.00 0.00 N ATOM 588 CA ASP A 44 -13.147 -10.071 3.637 1.00 0.00 C ATOM 589 C ASP A 44 -14.435 -10.077 2.819 1.00 0.00 C ATOM 590 O ASP A 44 -14.549 -9.372 1.817 1.00 0.00 O ATOM 591 CB ASP A 44 -13.464 -9.798 5.108 1.00 0.00 C ATOM 592 CG ASP A 44 -13.891 -11.049 5.850 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.171 -12.066 5.762 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.945 -11.011 6.519 1.00 0.00 O ATOM 0 H ASP A 44 -12.318 -8.147 3.539 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.678 -11.051 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.585 -9.373 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.256 -9.052 5.174 1.00 0.00 H new ATOM 599 N GLU A 45 -15.402 -10.880 3.253 1.00 0.00 N ATOM 600 CA GLU A 45 -16.681 -10.979 2.559 1.00 0.00 C ATOM 601 C GLU A 45 -17.383 -9.625 2.516 1.00 0.00 C ATOM 602 O GLU A 45 -17.997 -9.262 1.513 1.00 0.00 O ATOM 603 CB GLU A 45 -17.580 -12.010 3.245 1.00 0.00 C ATOM 604 CG GLU A 45 -18.040 -11.591 4.631 1.00 0.00 C ATOM 605 CD GLU A 45 -19.076 -12.533 5.212 1.00 0.00 C ATOM 606 OE1 GLU A 45 -18.948 -13.757 5.000 1.00 0.00 O ATOM 607 OE2 GLU A 45 -20.014 -12.047 5.878 1.00 0.00 O ATOM 0 H GLU A 45 -15.324 -11.471 4.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.486 -11.301 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.455 -12.190 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.042 -12.955 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.179 -11.548 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.456 -10.585 4.583 1.00 0.00 H new ATOM 614 N LYS A 46 -17.287 -8.880 3.613 1.00 0.00 N ATOM 615 CA LYS A 46 -17.911 -7.566 3.703 1.00 0.00 C ATOM 616 C LYS A 46 -17.227 -6.574 2.767 1.00 0.00 C ATOM 617 O LYS A 46 -17.820 -5.572 2.368 1.00 0.00 O ATOM 618 CB LYS A 46 -17.854 -7.048 5.142 1.00 0.00 C ATOM 619 CG LYS A 46 -18.555 -7.952 6.141 1.00 0.00 C ATOM 620 CD LYS A 46 -19.136 -7.159 7.299 1.00 0.00 C ATOM 621 CE LYS A 46 -19.864 -8.061 8.284 1.00 0.00 C ATOM 622 NZ LYS A 46 -18.957 -8.556 9.357 1.00 0.00 N ATOM 0 H LYS A 46 -16.782 -9.165 4.452 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.953 -7.665 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.811 -6.934 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.307 -6.057 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.352 -8.501 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.850 -8.690 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.336 -6.627 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.825 -6.406 6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.693 -7.514 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.293 -8.909 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.490 -9.167 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.179 -9.099 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.567 -7.748 9.882 1.00 0.00 H new ATOM 636 N GLY A 47 -15.976 -6.860 2.420 1.00 0.00 N ATOM 637 CA GLY A 47 -15.233 -5.984 1.533 1.00 0.00 C ATOM 638 C GLY A 47 -14.330 -5.028 2.286 1.00 0.00 C ATOM 639 O GLY A 47 -13.914 -4.001 1.748 1.00 0.00 O ATOM 0 H GLY A 47 -15.464 -7.683 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.632 -6.586 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.932 -5.413 0.922 1.00 0.00 H new ATOM 643 N LYS A 48 -14.025 -5.363 3.535 1.00 0.00 N ATOM 644 CA LYS A 48 -13.166 -4.527 4.365 1.00 0.00 C ATOM 645 C LYS A 48 -11.785 -5.155 4.522 1.00 0.00 C ATOM 646 O LYS A 48 -11.658 -6.374 4.651 1.00 0.00 O ATOM 647 CB LYS A 48 -13.801 -4.314 5.741 1.00 0.00 C ATOM 648 CG LYS A 48 -13.129 -3.225 6.559 1.00 0.00 C ATOM 649 CD LYS A 48 -12.033 -3.791 7.447 1.00 0.00 C ATOM 650 CE LYS A 48 -12.573 -4.189 8.812 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.570 -4.956 9.602 1.00 0.00 N ATOM 0 H LYS A 48 -14.361 -6.209 3.995 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.053 -3.562 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.853 -4.062 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.764 -5.250 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.706 -2.475 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.873 -2.720 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.584 -4.659 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.243 -3.050 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.863 -3.294 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.473 -4.791 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.061 -5.606 10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.964 -5.502 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.984 -4.297 10.152 1.00 0.00 H new ATOM 665 N ILE A 49 -10.754 -4.317 4.513 1.00 0.00 N ATOM 666 CA ILE A 49 -9.383 -4.791 4.658 1.00 0.00 C ATOM 667 C ILE A 49 -9.095 -5.210 6.096 1.00 0.00 C ATOM 668 O ILE A 49 -9.078 -4.380 7.004 1.00 0.00 O ATOM 669 CB ILE A 49 -8.367 -3.713 4.237 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.500 -3.413 2.742 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.952 -4.160 4.569 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.130 -1.992 2.376 1.00 0.00 C ATOM 0 H ILE A 49 -10.842 -3.306 4.407 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.277 -5.655 4.002 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.578 -2.799 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.865 -4.101 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.527 -3.604 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.246 -3.387 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.866 -4.329 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.729 -5.085 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.248 -1.851 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.782 -1.298 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.094 -1.802 2.655 1.00 0.00 H new ATOM 684 N VAL A 50 -8.868 -6.505 6.295 1.00 0.00 N ATOM 685 CA VAL A 50 -8.578 -7.035 7.621 1.00 0.00 C ATOM 686 C VAL A 50 -7.075 -7.151 7.850 1.00 0.00 C ATOM 687 O VAL A 50 -6.602 -7.086 8.985 1.00 0.00 O ATOM 688 CB VAL A 50 -9.226 -8.417 7.828 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.741 -8.295 7.869 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.789 -9.378 6.733 1.00 0.00 C ATOM 0 H VAL A 50 -8.880 -7.206 5.554 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.999 -6.333 8.341 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.892 -8.817 8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.182 -9.281 8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.031 -7.642 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.098 -7.875 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.256 -10.350 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.093 -8.986 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.705 -9.488 6.757 1.00 0.00 H new ATOM 700 N ASP A 51 -6.329 -7.324 6.764 1.00 0.00 N ATOM 701 CA ASP A 51 -4.878 -7.448 6.846 1.00 0.00 C ATOM 702 C ASP A 51 -4.204 -6.699 5.700 1.00 0.00 C ATOM 703 O ASP A 51 -4.748 -6.608 4.600 1.00 0.00 O ATOM 704 CB ASP A 51 -4.468 -8.921 6.819 1.00 0.00 C ATOM 705 CG ASP A 51 -3.047 -9.135 7.302 1.00 0.00 C ATOM 706 OD1 ASP A 51 -2.109 -8.786 6.555 1.00 0.00 O ATOM 707 OD2 ASP A 51 -2.873 -9.654 8.425 1.00 0.00 O ATOM 0 H ASP A 51 -6.705 -7.381 5.817 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.553 -7.006 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.151 -9.497 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.565 -9.304 5.803 1.00 0.00 H new ATOM 712 N ALA A 52 -3.017 -6.164 5.967 1.00 0.00 N ATOM 713 CA ALA A 52 -2.268 -5.424 4.959 1.00 0.00 C ATOM 714 C ALA A 52 -0.771 -5.464 5.248 1.00 0.00 C ATOM 715 O ALA A 52 -0.339 -5.198 6.369 1.00 0.00 O ATOM 716 CB ALA A 52 -2.756 -3.984 4.890 1.00 0.00 C ATOM 0 H ALA A 52 -2.553 -6.229 6.873 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.438 -5.900 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.188 -3.443 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.814 -3.971 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.616 -3.506 5.859 1.00 0.00 H new ATOM 722 N ARG A 53 0.014 -5.798 4.229 1.00 0.00 N ATOM 723 CA ARG A 53 1.463 -5.875 4.375 1.00 0.00 C ATOM 724 C ARG A 53 2.158 -4.939 3.390 1.00 0.00 C ATOM 725 O ARG A 53 1.574 -4.533 2.385 1.00 0.00 O ATOM 726 CB ARG A 53 1.943 -7.311 4.157 1.00 0.00 C ATOM 727 CG ARG A 53 1.110 -8.350 4.889 1.00 0.00 C ATOM 728 CD ARG A 53 1.584 -8.535 6.322 1.00 0.00 C ATOM 729 NE ARG A 53 1.105 -7.471 7.199 1.00 0.00 N ATOM 730 CZ ARG A 53 1.094 -7.560 8.525 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.534 -8.659 9.122 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.643 -6.548 9.255 1.00 0.00 N ATOM 0 H ARG A 53 -0.328 -6.019 3.294 1.00 0.00 H new ATOM 0 HA ARG A 53 1.719 -5.564 5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.928 -7.532 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.979 -7.392 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.063 -8.046 4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.166 -9.301 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.237 -9.498 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.674 -8.559 6.343 1.00 0.00 H new ATOM 0 HE ARG A 53 0.760 -6.612 6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.882 -9.438 8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.525 -8.725 10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.304 -5.701 8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.635 -6.617 10.273 1.00 0.00 H new ATOM 746 N PHE A 54 3.409 -4.602 3.685 1.00 0.00 N ATOM 747 CA PHE A 54 4.184 -3.713 2.828 1.00 0.00 C ATOM 748 C PHE A 54 5.666 -4.073 2.869 1.00 0.00 C ATOM 749 O PHE A 54 6.232 -4.301 3.938 1.00 0.00 O ATOM 750 CB PHE A 54 3.989 -2.257 3.256 1.00 0.00 C ATOM 751 CG PHE A 54 4.891 -1.838 4.381 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.257 -1.714 4.182 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.374 -1.567 5.638 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.090 -1.329 5.216 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.202 -1.181 6.675 1.00 0.00 C ATOM 756 CZ PHE A 54 6.562 -1.061 6.463 1.00 0.00 C ATOM 0 H PHE A 54 3.908 -4.931 4.511 1.00 0.00 H new ATOM 0 HA PHE A 54 3.827 -3.834 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.165 -1.608 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.952 -2.111 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.675 -1.921 3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.312 -1.659 5.809 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.153 -1.238 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.786 -0.973 7.650 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.211 -0.758 7.271 1.00 0.00 H new ATOM 766 N LYS A 55 6.290 -4.124 1.697 1.00 0.00 N ATOM 767 CA LYS A 55 7.706 -4.455 1.596 1.00 0.00 C ATOM 768 C LYS A 55 8.420 -3.506 0.640 1.00 0.00 C ATOM 769 O LYS A 55 8.364 -3.676 -0.579 1.00 0.00 O ATOM 770 CB LYS A 55 7.880 -5.900 1.123 1.00 0.00 C ATOM 771 CG LYS A 55 9.216 -6.510 1.511 1.00 0.00 C ATOM 772 CD LYS A 55 9.414 -6.507 3.017 1.00 0.00 C ATOM 773 CE LYS A 55 10.463 -7.523 3.443 1.00 0.00 C ATOM 774 NZ LYS A 55 11.056 -7.186 4.767 1.00 0.00 N ATOM 0 H LYS A 55 5.836 -3.940 0.802 1.00 0.00 H new ATOM 0 HA LYS A 55 8.150 -4.347 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.077 -6.509 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.776 -5.934 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.272 -7.533 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.023 -5.953 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.716 -5.512 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.468 -6.731 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.011 -8.514 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.252 -7.567 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.766 -7.902 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.509 -6.251 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.307 -7.169 5.489 1.00 0.00 H new ATOM 788 N THR A 56 9.094 -2.505 1.199 1.00 0.00 N ATOM 789 CA THR A 56 9.820 -1.529 0.396 1.00 0.00 C ATOM 790 C THR A 56 11.310 -1.846 0.361 1.00 0.00 C ATOM 791 O THR A 56 11.894 -2.248 1.368 1.00 0.00 O ATOM 792 CB THR A 56 9.622 -0.100 0.935 1.00 0.00 C ATOM 793 OG1 THR A 56 8.227 0.167 1.115 1.00 0.00 O ATOM 794 CG2 THR A 56 10.221 0.925 -0.017 1.00 0.00 C ATOM 0 H THR A 56 9.152 -2.349 2.205 1.00 0.00 H new ATOM 0 HA THR A 56 9.416 -1.587 -0.615 1.00 0.00 H new ATOM 0 HB THR A 56 10.133 -0.023 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.081 1.136 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.069 1.927 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.289 0.737 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.735 0.846 -0.989 1.00 0.00 H new ATOM 802 N PHE A 57 11.923 -1.660 -0.804 1.00 0.00 N ATOM 803 CA PHE A 57 13.347 -1.926 -0.969 1.00 0.00 C ATOM 804 C PHE A 57 14.049 -0.741 -1.626 1.00 0.00 C ATOM 805 O PHE A 57 13.880 -0.489 -2.819 1.00 0.00 O ATOM 806 CB PHE A 57 13.557 -3.188 -1.809 1.00 0.00 C ATOM 807 CG PHE A 57 12.986 -4.427 -1.183 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.659 -5.077 -0.160 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.775 -4.944 -1.616 1.00 0.00 C ATOM 810 CE1 PHE A 57 13.136 -6.217 0.419 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.247 -6.084 -1.041 1.00 0.00 C ATOM 812 CZ PHE A 57 11.928 -6.722 -0.023 1.00 0.00 C ATOM 0 H PHE A 57 11.456 -1.326 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 57 13.780 -2.079 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.101 -3.043 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.625 -3.332 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.604 -4.687 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.238 -4.450 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.670 -6.713 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.302 -6.476 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.517 -7.614 0.427 1.00 0.00 H new ATOM 822 N GLY A 58 14.837 -0.017 -0.838 1.00 0.00 N ATOM 823 CA GLY A 58 15.552 1.134 -1.360 1.00 0.00 C ATOM 824 C GLY A 58 15.701 2.239 -0.333 1.00 0.00 C ATOM 825 O GLY A 58 16.040 1.981 0.823 1.00 0.00 O ATOM 0 H GLY A 58 14.993 -0.206 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.540 0.821 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.024 1.521 -2.232 1.00 0.00 H new ATOM 829 N CYS A 59 15.448 3.473 -0.754 1.00 0.00 N ATOM 830 CA CYS A 59 15.556 4.623 0.136 1.00 0.00 C ATOM 831 C CYS A 59 14.500 4.562 1.235 1.00 0.00 C ATOM 832 O CYS A 59 13.420 4.004 1.043 1.00 0.00 O ATOM 833 CB CYS A 59 15.410 5.923 -0.656 1.00 0.00 C ATOM 834 SG CYS A 59 13.683 6.434 -0.934 1.00 0.00 S ATOM 0 H CYS A 59 15.166 3.703 -1.707 1.00 0.00 H new ATOM 0 HA CYS A 59 16.541 4.598 0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.933 6.719 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.903 5.805 -1.621 1.00 0.00 H new ATOM 839 N GLY A 60 14.820 5.139 2.389 1.00 0.00 N ATOM 840 CA GLY A 60 13.888 5.140 3.502 1.00 0.00 C ATOM 841 C GLY A 60 12.594 5.858 3.175 1.00 0.00 C ATOM 842 O GLY A 60 11.507 5.332 3.412 1.00 0.00 O ATOM 0 H GLY A 60 15.708 5.606 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.667 4.112 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.356 5.616 4.363 1.00 0.00 H new ATOM 846 N SER A 61 12.710 7.065 2.630 1.00 0.00 N ATOM 847 CA SER A 61 11.540 7.859 2.274 1.00 0.00 C ATOM 848 C SER A 61 10.432 6.973 1.714 1.00 0.00 C ATOM 849 O SER A 61 9.249 7.291 1.831 1.00 0.00 O ATOM 850 CB SER A 61 11.917 8.932 1.251 1.00 0.00 C ATOM 851 OG SER A 61 13.011 9.709 1.706 1.00 0.00 O ATOM 0 H SER A 61 13.603 7.514 2.425 1.00 0.00 H new ATOM 0 HA SER A 61 11.172 8.343 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.172 8.460 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.060 9.579 1.065 1.00 0.00 H new ATOM 0 HG SER A 61 12.678 10.535 2.114 1.00 0.00 H new ATOM 857 N ALA A 62 10.825 5.859 1.104 1.00 0.00 N ATOM 858 CA ALA A 62 9.866 4.925 0.527 1.00 0.00 C ATOM 859 C ALA A 62 9.325 3.970 1.585 1.00 0.00 C ATOM 860 O ALA A 62 8.131 3.672 1.613 1.00 0.00 O ATOM 861 CB ALA A 62 10.508 4.147 -0.612 1.00 0.00 C ATOM 0 H ALA A 62 11.801 5.582 0.997 1.00 0.00 H new ATOM 0 HA ALA A 62 9.028 5.500 0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.781 3.453 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.839 4.840 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.365 3.589 -0.234 1.00 0.00 H new ATOM 867 N ILE A 63 10.212 3.492 2.452 1.00 0.00 N ATOM 868 CA ILE A 63 9.822 2.570 3.512 1.00 0.00 C ATOM 869 C ILE A 63 8.801 3.209 4.448 1.00 0.00 C ATOM 870 O ILE A 63 7.921 2.531 4.977 1.00 0.00 O ATOM 871 CB ILE A 63 11.040 2.112 4.335 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.032 1.361 3.445 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.595 1.236 5.497 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.458 1.417 3.947 1.00 0.00 C ATOM 0 H ILE A 63 11.204 3.728 2.441 1.00 0.00 H new ATOM 0 HA ILE A 63 9.374 1.702 3.027 1.00 0.00 H new ATOM 0 HB ILE A 63 11.538 2.993 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.723 0.319 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.993 1.779 2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.467 0.920 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.923 1.801 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.076 0.358 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.105 0.863 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.786 2.455 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.512 0.973 4.941 1.00 0.00 H new ATOM 886 N ALA A 64 8.924 4.517 4.646 1.00 0.00 N ATOM 887 CA ALA A 64 8.010 5.248 5.514 1.00 0.00 C ATOM 888 C ALA A 64 6.672 5.489 4.824 1.00 0.00 C ATOM 889 O ALA A 64 5.623 5.084 5.325 1.00 0.00 O ATOM 890 CB ALA A 64 8.631 6.569 5.941 1.00 0.00 C ATOM 0 H ALA A 64 9.648 5.092 4.217 1.00 0.00 H new ATOM 0 HA ALA A 64 7.827 4.641 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.937 7.105 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.558 6.377 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.843 7.173 5.059 1.00 0.00 H new ATOM 896 N SER A 65 6.716 6.151 3.673 1.00 0.00 N ATOM 897 CA SER A 65 5.506 6.450 2.916 1.00 0.00 C ATOM 898 C SER A 65 4.623 5.212 2.792 1.00 0.00 C ATOM 899 O SER A 65 3.408 5.317 2.621 1.00 0.00 O ATOM 900 CB SER A 65 5.865 6.975 1.525 1.00 0.00 C ATOM 901 OG SER A 65 4.886 7.886 1.055 1.00 0.00 O ATOM 0 H SER A 65 7.577 6.491 3.244 1.00 0.00 H new ATOM 0 HA SER A 65 4.951 7.219 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.837 7.466 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.953 6.140 0.830 1.00 0.00 H new ATOM 0 HG SER A 65 5.261 8.791 1.041 1.00 0.00 H new ATOM 907 N SER A 66 5.243 4.040 2.881 1.00 0.00 N ATOM 908 CA SER A 66 4.515 2.780 2.775 1.00 0.00 C ATOM 909 C SER A 66 3.871 2.411 4.108 1.00 0.00 C ATOM 910 O SER A 66 2.648 2.325 4.216 1.00 0.00 O ATOM 911 CB SER A 66 5.454 1.661 2.323 1.00 0.00 C ATOM 912 OG SER A 66 6.520 1.486 3.241 1.00 0.00 O ATOM 0 H SER A 66 6.247 3.936 3.026 1.00 0.00 H new ATOM 0 HA SER A 66 3.727 2.906 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.895 0.730 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.854 1.895 1.336 1.00 0.00 H new ATOM 0 HG SER A 66 6.746 2.348 3.648 1.00 0.00 H new ATOM 918 N SER A 67 4.704 2.195 5.121 1.00 0.00 N ATOM 919 CA SER A 67 4.217 1.831 6.446 1.00 0.00 C ATOM 920 C SER A 67 2.980 2.644 6.813 1.00 0.00 C ATOM 921 O SER A 67 2.079 2.154 7.495 1.00 0.00 O ATOM 922 CB SER A 67 5.312 2.049 7.492 1.00 0.00 C ATOM 923 OG SER A 67 4.955 1.467 8.734 1.00 0.00 O ATOM 0 H SER A 67 5.719 2.266 5.049 1.00 0.00 H new ATOM 0 HA SER A 67 3.945 0.776 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.248 1.615 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.486 3.117 7.624 1.00 0.00 H new ATOM 0 HG SER A 67 5.672 1.619 9.385 1.00 0.00 H new ATOM 929 N LEU A 68 2.942 3.891 6.355 1.00 0.00 N ATOM 930 CA LEU A 68 1.815 4.775 6.633 1.00 0.00 C ATOM 931 C LEU A 68 0.646 4.478 5.699 1.00 0.00 C ATOM 932 O LEU A 68 -0.506 4.424 6.128 1.00 0.00 O ATOM 933 CB LEU A 68 2.240 6.237 6.488 1.00 0.00 C ATOM 934 CG LEU A 68 1.112 7.268 6.502 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.591 8.576 7.112 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.581 7.497 5.094 1.00 0.00 C ATOM 0 H LEU A 68 3.679 4.313 5.789 1.00 0.00 H new ATOM 0 HA LEU A 68 1.491 4.598 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.933 6.475 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.791 6.343 5.554 1.00 0.00 H new ATOM 0 HG LEU A 68 0.300 6.880 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.774 9.298 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.922 8.400 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.421 8.969 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.222 8.234 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.386 7.862 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.198 6.559 4.693 1.00 0.00 H new ATOM 948 N ALA A 69 0.953 4.284 4.420 1.00 0.00 N ATOM 949 CA ALA A 69 -0.072 3.988 3.426 1.00 0.00 C ATOM 950 C ALA A 69 -0.814 2.701 3.769 1.00 0.00 C ATOM 951 O ALA A 69 -2.042 2.639 3.688 1.00 0.00 O ATOM 952 CB ALA A 69 0.551 3.887 2.041 1.00 0.00 C ATOM 0 H ALA A 69 1.902 4.326 4.048 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.794 4.805 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.225 3.666 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.030 4.833 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.295 3.090 2.034 1.00 0.00 H new ATOM 958 N THR A 70 -0.063 1.674 4.153 1.00 0.00 N ATOM 959 CA THR A 70 -0.650 0.387 4.507 1.00 0.00 C ATOM 960 C THR A 70 -1.348 0.455 5.860 1.00 0.00 C ATOM 961 O THR A 70 -2.459 -0.049 6.021 1.00 0.00 O ATOM 962 CB THR A 70 0.415 -0.724 4.546 1.00 0.00 C ATOM 963 OG1 THR A 70 0.591 -1.281 3.239 1.00 0.00 O ATOM 964 CG2 THR A 70 0.016 -1.822 5.521 1.00 0.00 C ATOM 0 H THR A 70 0.954 1.708 4.227 1.00 0.00 H new ATOM 0 HA THR A 70 -1.383 0.150 3.735 1.00 0.00 H new ATOM 0 HB THR A 70 1.354 -0.284 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.700 -2.252 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.784 -2.596 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.088 -1.401 6.521 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.934 -2.257 5.210 1.00 0.00 H new ATOM 972 N GLU A 71 -0.690 1.083 6.830 1.00 0.00 N ATOM 973 CA GLU A 71 -1.249 1.216 8.170 1.00 0.00 C ATOM 974 C GLU A 71 -2.536 2.035 8.143 1.00 0.00 C ATOM 975 O GLU A 71 -3.239 2.138 9.149 1.00 0.00 O ATOM 976 CB GLU A 71 -0.233 1.872 9.107 1.00 0.00 C ATOM 977 CG GLU A 71 -0.790 2.182 10.487 1.00 0.00 C ATOM 978 CD GLU A 71 0.278 2.169 11.563 1.00 0.00 C ATOM 979 OE1 GLU A 71 1.410 2.616 11.283 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.020 1.712 12.687 1.00 0.00 O ATOM 0 H GLU A 71 0.230 1.507 6.713 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.482 0.218 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.630 1.214 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.124 2.796 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.271 3.160 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.560 1.452 10.736 1.00 0.00 H new ATOM 987 N TRP A 72 -2.838 2.614 6.987 1.00 0.00 N ATOM 988 CA TRP A 72 -4.040 3.425 6.829 1.00 0.00 C ATOM 989 C TRP A 72 -5.187 2.593 6.267 1.00 0.00 C ATOM 990 O TRP A 72 -6.318 2.671 6.749 1.00 0.00 O ATOM 991 CB TRP A 72 -3.760 4.616 5.911 1.00 0.00 C ATOM 992 CG TRP A 72 -3.041 5.738 6.597 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.561 5.744 7.876 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.722 7.018 6.041 1.00 0.00 C ATOM 995 NE1 TRP A 72 -1.963 6.951 8.148 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.048 7.749 7.038 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.938 7.617 4.797 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.591 9.048 6.828 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.485 8.906 4.590 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.817 9.610 5.601 1.00 0.00 C ATOM 0 H TRP A 72 -2.267 2.537 6.145 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.331 3.794 7.812 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.166 4.279 5.061 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.704 4.988 5.513 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.640 4.921 8.571 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.527 7.210 9.033 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.450 7.082 4.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.077 9.592 7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.649 9.379 3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.474 10.616 5.408 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.890 1.795 5.246 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.897 0.947 4.620 1.00 0.00 C ATOM 1013 C VAL A 73 -6.515 -0.011 5.632 1.00 0.00 C ATOM 1014 O VAL A 73 -7.655 -0.448 5.474 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.301 0.134 3.456 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.661 1.058 2.431 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.292 -0.879 3.977 1.00 0.00 C ATOM 0 H VAL A 73 -3.960 1.718 4.835 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.671 1.609 4.232 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.108 -0.410 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.245 0.465 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.414 1.740 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.865 1.631 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.880 -1.445 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.486 -0.357 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.786 -1.561 4.669 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.755 -0.335 6.673 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.227 -1.240 7.713 1.00 0.00 C ATOM 1029 C LYS A 74 -7.482 -0.691 8.385 1.00 0.00 C ATOM 1030 O LYS A 74 -7.519 0.467 8.800 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.132 -1.464 8.759 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.862 -2.071 8.189 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.840 -2.351 9.278 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.594 -3.017 8.716 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.470 -3.005 9.693 1.00 0.00 N ATOM 0 H LYS A 74 -4.809 0.017 6.818 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.474 -2.193 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.890 -0.511 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.517 -2.117 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.103 -2.998 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.433 -1.393 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.565 -1.417 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.284 -2.992 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.825 -4.046 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.288 -2.504 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.361 -3.468 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.232 -2.022 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.752 -3.516 10.553 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.507 -1.530 8.489 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.749 -1.110 9.113 1.00 0.00 C ATOM 1051 C GLY A 75 -10.687 -0.430 8.136 1.00 0.00 C ATOM 1052 O GLY A 75 -11.891 -0.339 8.380 1.00 0.00 O ATOM 0 H GLY A 75 -8.500 -2.493 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.247 -1.978 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.527 -0.428 9.934 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.137 0.050 7.026 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.932 0.726 6.008 1.00 0.00 C ATOM 1058 C LYS A 76 -11.330 -0.241 4.897 1.00 0.00 C ATOM 1059 O LYS A 76 -10.801 -1.349 4.805 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.150 1.902 5.418 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.410 2.724 6.459 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.803 3.977 5.852 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.771 5.148 5.906 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.969 5.641 7.297 1.00 0.00 N ATOM 0 H LYS A 76 -9.143 -0.017 6.808 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.839 1.101 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.433 1.522 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.839 2.551 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.096 3.002 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.623 2.119 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.888 4.235 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.523 3.782 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.394 5.959 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.731 4.845 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.326 6.617 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.657 5.033 7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.062 5.617 7.806 1.00 0.00 H new ATOM 1078 N THR A 77 -12.266 0.185 4.055 1.00 0.00 N ATOM 1079 CA THR A 77 -12.735 -0.643 2.951 1.00 0.00 C ATOM 1080 C THR A 77 -12.057 -0.251 1.643 1.00 0.00 C ATOM 1081 O THR A 77 -11.663 0.901 1.457 1.00 0.00 O ATOM 1082 CB THR A 77 -14.262 -0.536 2.777 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.631 0.823 2.519 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.984 -1.036 4.019 1.00 0.00 C ATOM 0 H THR A 77 -12.714 1.099 4.117 1.00 0.00 H new ATOM 0 HA THR A 77 -12.476 -1.673 3.197 1.00 0.00 H new ATOM 0 HB THR A 77 -14.554 -1.158 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.603 0.883 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 77 -16.061 -0.951 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.723 -2.079 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.686 -0.437 4.879 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.925 -1.215 0.737 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.296 -0.969 -0.555 1.00 0.00 C ATOM 1094 C VAL A 78 -11.728 0.375 -1.129 1.00 0.00 C ATOM 1095 O VAL A 78 -10.915 1.114 -1.684 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.637 -2.080 -1.565 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.178 -3.434 -1.046 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.130 -2.091 -1.861 1.00 0.00 C ATOM 0 H VAL A 78 -12.245 -2.174 0.874 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.219 -0.959 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.107 -1.876 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.428 -4.206 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.099 -3.417 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.678 -3.650 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.353 -2.882 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.683 -2.270 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.425 -1.129 -2.280 1.00 0.00 H new ATOM 1108 N GLU A 79 -13.013 0.686 -0.992 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.553 1.943 -1.498 1.00 0.00 C ATOM 1110 C GLU A 79 -12.867 3.135 -0.837 1.00 0.00 C ATOM 1111 O GLU A 79 -12.504 4.103 -1.504 1.00 0.00 O ATOM 1112 CB GLU A 79 -15.062 2.010 -1.256 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.837 0.888 -1.927 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.225 0.708 -1.344 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.326 0.276 -0.176 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -18.210 0.998 -2.055 1.00 0.00 O ATOM 0 H GLU A 79 -13.699 0.085 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.363 1.985 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.251 1.979 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.437 2.967 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.919 1.096 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.281 -0.044 -1.826 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.695 3.056 0.479 1.00 0.00 N ATOM 1124 CA GLU A 80 -12.054 4.129 1.230 1.00 0.00 C ATOM 1125 C GLU A 80 -10.612 4.328 0.774 1.00 0.00 C ATOM 1126 O GLU A 80 -10.203 5.439 0.439 1.00 0.00 O ATOM 1127 CB GLU A 80 -12.089 3.824 2.729 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.490 3.603 3.273 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.245 4.902 3.484 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.899 5.369 2.528 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.181 5.450 4.604 1.00 0.00 O ATOM 0 H GLU A 80 -12.990 2.261 1.046 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.606 5.049 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.488 2.936 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.624 4.648 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.048 2.970 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.428 3.065 4.219 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.846 3.241 0.764 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.450 3.295 0.347 1.00 0.00 C ATOM 1140 C ALA A 81 -8.298 4.049 -0.969 1.00 0.00 C ATOM 1141 O ALA A 81 -7.409 4.888 -1.117 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.883 1.888 0.220 1.00 0.00 C ATOM 0 H ALA A 81 -10.169 2.313 1.040 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.889 3.834 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.840 1.943 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.948 1.381 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.455 1.331 -0.522 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.171 3.746 -1.923 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.134 4.396 -3.229 1.00 0.00 C ATOM 1150 C LEU A 82 -9.158 5.914 -3.083 1.00 0.00 C ATOM 1151 O LEU A 82 -8.553 6.635 -3.877 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.316 3.936 -4.084 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.074 2.705 -4.958 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.995 2.989 -5.992 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.691 1.508 -4.100 1.00 0.00 C ATOM 0 H LEU A 82 -9.913 3.054 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.204 4.111 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.157 3.728 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.615 4.762 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.999 2.468 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.836 2.102 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.309 3.817 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.066 3.251 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.523 0.641 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.779 1.734 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.496 1.291 -3.398 1.00 0.00 H new ATOM 1167 N THR A 83 -9.859 6.394 -2.060 1.00 0.00 N ATOM 1168 CA THR A 83 -9.961 7.826 -1.809 1.00 0.00 C ATOM 1169 C THR A 83 -8.650 8.384 -1.268 1.00 0.00 C ATOM 1170 O THR A 83 -8.380 9.580 -1.381 1.00 0.00 O ATOM 1171 CB THR A 83 -11.091 8.142 -0.810 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.609 8.009 0.532 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.276 7.213 -1.023 1.00 0.00 C ATOM 0 H THR A 83 -10.364 5.812 -1.392 1.00 0.00 H new ATOM 0 HA THR A 83 -10.187 8.299 -2.765 1.00 0.00 H new ATOM 0 HB THR A 83 -11.419 9.168 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.213 7.121 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.061 7.455 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.658 7.337 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.959 6.180 -0.879 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.838 7.511 -0.681 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.553 7.917 -0.125 1.00 0.00 C ATOM 1183 C ILE A 84 -5.672 8.561 -1.189 1.00 0.00 C ATOM 1184 O ILE A 84 -5.276 7.914 -2.159 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.803 6.721 0.492 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.619 6.114 1.635 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.431 7.154 0.985 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.973 4.897 2.258 1.00 0.00 C ATOM 0 H ILE A 84 -8.047 6.518 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.764 8.646 0.658 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.668 5.960 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.769 6.870 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.606 5.840 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.913 6.298 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.850 7.544 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.545 7.930 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.606 4.520 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.848 4.123 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.998 5.169 2.663 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.366 9.840 -1.001 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.528 10.574 -1.943 1.00 0.00 C ATOM 1202 C LYS A 85 -3.067 10.544 -1.508 1.00 0.00 C ATOM 1203 O LYS A 85 -2.757 10.231 -0.359 1.00 0.00 O ATOM 1204 CB LYS A 85 -5.007 12.022 -2.062 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.486 12.150 -2.383 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.798 11.651 -3.784 1.00 0.00 C ATOM 1207 CE LYS A 85 -6.231 12.581 -4.845 1.00 0.00 C ATOM 1208 NZ LYS A 85 -6.510 12.088 -6.222 1.00 0.00 N ATOM 0 H LYS A 85 -5.686 10.391 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.609 10.091 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.801 12.542 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.431 12.524 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.067 11.583 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.790 13.193 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.384 10.651 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.878 11.568 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.659 13.576 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.154 12.678 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.107 12.750 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.080 11.150 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.538 12.020 -6.365 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.172 10.874 -2.434 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.742 10.886 -2.145 1.00 0.00 C ATOM 1224 C ASN A 86 -0.325 12.212 -1.516 1.00 0.00 C ATOM 1225 O ASN A 86 0.453 12.242 -0.563 1.00 0.00 O ATOM 1226 CB ASN A 86 0.060 10.641 -3.425 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.267 11.646 -4.513 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.169 11.430 -5.323 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.468 12.752 -4.536 1.00 0.00 N ATOM 0 H ASN A 86 -2.411 11.136 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.533 10.086 -1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.125 10.689 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.143 9.634 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.295 13.465 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.205 12.889 -3.845 1.00 0.00 H new ATOM 1236 N THR A 87 -0.850 13.307 -2.056 1.00 0.00 N ATOM 1237 CA THR A 87 -0.533 14.636 -1.549 1.00 0.00 C ATOM 1238 C THR A 87 -0.581 14.670 -0.026 1.00 0.00 C ATOM 1239 O THR A 87 0.197 15.377 0.614 1.00 0.00 O ATOM 1240 CB THR A 87 -1.502 15.696 -2.106 1.00 0.00 C ATOM 1241 OG1 THR A 87 -1.426 16.890 -1.319 1.00 0.00 O ATOM 1242 CG2 THR A 87 -2.931 15.174 -2.109 1.00 0.00 C ATOM 0 H THR A 87 -1.497 13.300 -2.845 1.00 0.00 H new ATOM 0 HA THR A 87 0.478 14.868 -1.883 1.00 0.00 H new ATOM 0 HB THR A 87 -1.212 15.919 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.044 17.560 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.597 15.940 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.991 14.282 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.230 14.926 -1.091 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.500 13.901 0.549 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.649 13.841 1.998 1.00 0.00 C ATOM 1252 C ASP A 88 -0.430 13.188 2.643 1.00 0.00 C ATOM 1253 O ASP A 88 0.114 13.698 3.623 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.915 13.068 2.371 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.161 13.927 2.294 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.405 14.524 1.225 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.893 14.004 3.304 1.00 0.00 O ATOM 0 H ASP A 88 -2.153 13.311 0.033 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.733 14.861 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.025 12.213 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.811 12.673 3.382 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.009 12.057 2.088 1.00 0.00 N ATOM 1263 CA ILE A 89 1.145 11.334 2.609 1.00 0.00 C ATOM 1264 C ILE A 89 2.391 12.214 2.609 1.00 0.00 C ATOM 1265 O ILE A 89 2.977 12.477 3.659 1.00 0.00 O ATOM 1266 CB ILE A 89 1.429 10.062 1.790 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.184 9.175 1.736 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.603 9.299 2.386 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.304 8.023 0.763 1.00 0.00 C ATOM 0 H ILE A 89 -0.449 11.621 1.278 1.00 0.00 H new ATOM 0 HA ILE A 89 0.903 11.050 3.633 1.00 0.00 H new ATOM 0 HB ILE A 89 1.689 10.354 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.014 8.779 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.675 9.786 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.791 8.402 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.490 9.932 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.369 9.015 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.615 7.437 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.471 8.411 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.143 7.389 1.051 1.00 0.00 H new ATOM 1281 N ALA A 90 2.788 12.668 1.425 1.00 0.00 N ATOM 1282 CA ALA A 90 3.962 13.521 1.289 1.00 0.00 C ATOM 1283 C ALA A 90 4.051 14.519 2.439 1.00 0.00 C ATOM 1284 O ALA A 90 5.064 14.590 3.136 1.00 0.00 O ATOM 1285 CB ALA A 90 3.931 14.252 -0.045 1.00 0.00 C ATOM 0 H ALA A 90 2.314 12.459 0.546 1.00 0.00 H new ATOM 0 HA ALA A 90 4.848 12.887 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.814 14.885 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.923 13.526 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.034 14.869 -0.101 1.00 0.00 H new ATOM 1291 N LYS A 91 2.986 15.290 2.632 1.00 0.00 N ATOM 1292 CA LYS A 91 2.944 16.284 3.697 1.00 0.00 C ATOM 1293 C LYS A 91 2.996 15.615 5.068 1.00 0.00 C ATOM 1294 O LYS A 91 3.671 16.096 5.977 1.00 0.00 O ATOM 1295 CB LYS A 91 1.676 17.133 3.580 1.00 0.00 C ATOM 1296 CG LYS A 91 1.758 18.454 4.325 1.00 0.00 C ATOM 1297 CD LYS A 91 0.404 19.141 4.392 1.00 0.00 C ATOM 1298 CE LYS A 91 0.551 20.649 4.526 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.747 21.307 3.204 1.00 0.00 N ATOM 0 H LYS A 91 2.140 15.245 2.064 1.00 0.00 H new ATOM 0 HA LYS A 91 3.817 16.929 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.477 17.331 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.830 16.562 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.130 18.281 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.475 19.108 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.168 18.908 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.161 18.753 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.337 21.059 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.398 20.875 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.843 22.334 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.608 20.934 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.073 21.113 2.595 1.00 0.00 H new ATOM 1313 N GLU A 92 2.279 14.504 5.206 1.00 0.00 N ATOM 1314 CA GLU A 92 2.246 13.770 6.466 1.00 0.00 C ATOM 1315 C GLU A 92 3.656 13.406 6.921 1.00 0.00 C ATOM 1316 O GLU A 92 4.022 13.621 8.078 1.00 0.00 O ATOM 1317 CB GLU A 92 1.401 12.502 6.321 1.00 0.00 C ATOM 1318 CG GLU A 92 0.800 12.018 7.629 1.00 0.00 C ATOM 1319 CD GLU A 92 0.260 13.153 8.478 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.325 14.095 7.905 1.00 0.00 O ATOM 1321 OE2 GLU A 92 0.424 13.099 9.715 1.00 0.00 O ATOM 0 H GLU A 92 1.714 14.093 4.463 1.00 0.00 H new ATOM 0 HA GLU A 92 1.795 14.414 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.597 12.691 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.020 11.709 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.004 11.314 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.558 11.475 8.194 1.00 0.00 H new ATOM 1328 N LEU A 93 4.442 12.853 6.005 1.00 0.00 N ATOM 1329 CA LEU A 93 5.813 12.457 6.311 1.00 0.00 C ATOM 1330 C LEU A 93 6.753 13.657 6.245 1.00 0.00 C ATOM 1331 O LEU A 93 7.846 13.633 6.812 1.00 0.00 O ATOM 1332 CB LEU A 93 6.281 11.374 5.338 1.00 0.00 C ATOM 1333 CG LEU A 93 5.688 9.980 5.550 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.169 10.037 5.521 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.208 9.014 4.496 1.00 0.00 C ATOM 0 H LEU A 93 4.154 12.668 5.044 1.00 0.00 H new ATOM 0 HA LEU A 93 5.833 12.058 7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.044 11.697 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.366 11.299 5.403 1.00 0.00 H new ATOM 0 HG LEU A 93 5.999 9.618 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.764 9.036 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.814 10.696 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.838 10.419 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.776 8.027 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.927 9.371 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.294 8.951 4.565 1.00 0.00 H new ATOM 1347 N CYS A 94 6.320 14.704 5.552 1.00 0.00 N ATOM 1348 CA CYS A 94 7.123 15.914 5.414 1.00 0.00 C ATOM 1349 C CYS A 94 8.412 15.627 4.650 1.00 0.00 C ATOM 1350 O CYS A 94 9.470 16.169 4.972 1.00 0.00 O ATOM 1351 CB CYS A 94 7.450 16.494 6.790 1.00 0.00 C ATOM 1352 SG CYS A 94 6.237 17.692 7.393 1.00 0.00 S ATOM 0 H CYS A 94 5.418 14.740 5.077 1.00 0.00 H new ATOM 0 HA CYS A 94 6.542 16.643 4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.526 15.677 7.508 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.428 16.973 6.747 1.00 0.00 H new ATOM 0 HG CYS A 94 5.050 17.347 6.991 1.00 0.00 H new ATOM 1358 N LEU A 95 8.316 14.770 3.640 1.00 0.00 N ATOM 1359 CA LEU A 95 9.475 14.409 2.830 1.00 0.00 C ATOM 1360 C LEU A 95 9.834 15.532 1.863 1.00 0.00 C ATOM 1361 O LEU A 95 8.987 16.324 1.449 1.00 0.00 O ATOM 1362 CB LEU A 95 9.198 13.121 2.054 1.00 0.00 C ATOM 1363 CG LEU A 95 8.071 13.188 1.022 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.580 13.774 -0.286 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.474 11.807 0.793 1.00 0.00 C ATOM 0 H LEU A 95 7.448 14.312 3.362 1.00 0.00 H new ATOM 0 HA LEU A 95 10.320 14.248 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.114 12.824 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.962 12.333 2.769 1.00 0.00 H new ATOM 0 HG LEU A 95 7.288 13.840 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.765 13.814 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.959 14.781 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.381 13.148 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.674 11.874 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.248 11.132 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.072 11.424 1.731 1.00 0.00 H new ATOM 1377 N PRO A 96 11.121 15.604 1.491 1.00 0.00 N ATOM 1378 CA PRO A 96 11.622 16.624 0.566 1.00 0.00 C ATOM 1379 C PRO A 96 11.121 16.412 -0.859 1.00 0.00 C ATOM 1380 O PRO A 96 10.532 15.381 -1.188 1.00 0.00 O ATOM 1381 CB PRO A 96 13.141 16.446 0.630 1.00 0.00 C ATOM 1382 CG PRO A 96 13.339 15.028 1.040 1.00 0.00 C ATOM 1383 CD PRO A 96 12.186 14.693 1.945 1.00 0.00 C ATOM 0 HA PRO A 96 11.284 17.623 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.604 16.647 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.590 17.132 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.357 14.370 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.290 14.900 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.890 13.648 1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.436 14.858 2.993 1.00 0.00 H new ATOM 1391 N PRO A 97 11.358 17.407 -1.725 1.00 0.00 N ATOM 1392 CA PRO A 97 10.940 17.352 -3.129 1.00 0.00 C ATOM 1393 C PRO A 97 11.738 16.331 -3.932 1.00 0.00 C ATOM 1394 O PRO A 97 11.392 16.013 -5.070 1.00 0.00 O ATOM 1395 CB PRO A 97 11.217 18.768 -3.639 1.00 0.00 C ATOM 1396 CG PRO A 97 12.294 19.286 -2.750 1.00 0.00 C ATOM 1397 CD PRO A 97 12.054 18.664 -1.402 1.00 0.00 C ATOM 0 HA PRO A 97 9.900 17.044 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.535 18.758 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.324 19.391 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.279 19.018 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.260 20.374 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.989 18.481 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.447 19.307 -0.765 1.00 0.00 H new ATOM 1405 N VAL A 98 12.809 15.820 -3.333 1.00 0.00 N ATOM 1406 CA VAL A 98 13.656 14.833 -3.992 1.00 0.00 C ATOM 1407 C VAL A 98 13.128 13.420 -3.771 1.00 0.00 C ATOM 1408 O VAL A 98 13.263 12.553 -4.635 1.00 0.00 O ATOM 1409 CB VAL A 98 15.108 14.912 -3.485 1.00 0.00 C ATOM 1410 CG1 VAL A 98 15.147 14.854 -1.965 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.945 13.795 -4.090 1.00 0.00 C ATOM 0 H VAL A 98 13.111 16.073 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 98 13.638 15.062 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 98 15.533 15.865 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.181 14.911 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.583 15.692 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.705 13.918 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.968 13.866 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.523 12.830 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.944 13.887 -5.176 1.00 0.00 H new ATOM 1421 N LYS A 99 12.526 13.194 -2.608 1.00 0.00 N ATOM 1422 CA LYS A 99 11.975 11.887 -2.273 1.00 0.00 C ATOM 1423 C LYS A 99 10.475 11.842 -2.546 1.00 0.00 C ATOM 1424 O LYS A 99 9.735 11.111 -1.887 1.00 0.00 O ATOM 1425 CB LYS A 99 12.246 11.558 -0.803 1.00 0.00 C ATOM 1426 CG LYS A 99 13.717 11.618 -0.427 1.00 0.00 C ATOM 1427 CD LYS A 99 14.507 10.502 -1.089 1.00 0.00 C ATOM 1428 CE LYS A 99 16.003 10.778 -1.047 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.758 9.878 -1.962 1.00 0.00 N ATOM 0 H LYS A 99 12.408 13.900 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 99 12.464 11.143 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.690 12.255 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.865 10.560 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.130 12.582 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.820 11.545 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.296 9.558 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.185 10.391 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.189 11.816 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.368 10.649 -0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.773 10.097 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.601 8.888 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.428 10.019 -2.938 1.00 0.00 H new ATOM 1443 N LEU A 100 10.033 12.626 -3.523 1.00 0.00 N ATOM 1444 CA LEU A 100 8.621 12.675 -3.885 1.00 0.00 C ATOM 1445 C LEU A 100 8.155 11.333 -4.443 1.00 0.00 C ATOM 1446 O LEU A 100 7.102 10.822 -4.060 1.00 0.00 O ATOM 1447 CB LEU A 100 8.375 13.780 -4.914 1.00 0.00 C ATOM 1448 CG LEU A 100 8.053 15.164 -4.348 1.00 0.00 C ATOM 1449 CD1 LEU A 100 8.047 16.205 -5.456 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.716 15.146 -3.623 1.00 0.00 C ATOM 0 H LEU A 100 10.632 13.236 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 100 8.048 12.892 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.259 13.864 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.551 13.472 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 100 8.829 15.432 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.816 17.183 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.028 16.237 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.293 15.942 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.503 16.139 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.929 14.857 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.757 14.429 -2.803 1.00 0.00 H new ATOM 1462 N HIS A 101 8.947 10.767 -5.347 1.00 0.00 N ATOM 1463 CA HIS A 101 8.618 9.483 -5.956 1.00 0.00 C ATOM 1464 C HIS A 101 7.988 8.543 -4.932 1.00 0.00 C ATOM 1465 O HIS A 101 7.117 7.739 -5.267 1.00 0.00 O ATOM 1466 CB HIS A 101 9.870 8.841 -6.552 1.00 0.00 C ATOM 1467 CG HIS A 101 10.952 8.590 -5.547 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.946 9.504 -5.267 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.190 7.522 -4.751 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.751 9.007 -4.345 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.314 7.806 -4.014 1.00 0.00 N ATOM 0 H HIS A 101 9.822 11.177 -5.674 1.00 0.00 H new ATOM 0 HA HIS A 101 7.896 9.661 -6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.595 7.896 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.260 9.487 -7.339 1.00 0.00 H new ATOM 0 HD1 HIS A 101 12.044 10.421 -5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.605 6.615 -4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.619 9.499 -3.932 1.00 0.00 H new ATOM 1479 N CYS A 102 8.433 8.649 -3.685 1.00 0.00 N ATOM 1480 CA CYS A 102 7.914 7.807 -2.613 1.00 0.00 C ATOM 1481 C CYS A 102 6.419 8.035 -2.419 1.00 0.00 C ATOM 1482 O CYS A 102 5.623 7.099 -2.497 1.00 0.00 O ATOM 1483 CB CYS A 102 8.660 8.090 -1.308 1.00 0.00 C ATOM 1484 SG CYS A 102 10.369 7.499 -1.291 1.00 0.00 S ATOM 0 H CYS A 102 9.152 9.310 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 102 8.071 6.765 -2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.657 9.165 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.118 7.626 -0.484 1.00 0.00 H new ATOM 0 HG CYS A 102 11.129 8.352 -1.910 1.00 0.00 H new ATOM 1490 N SER A 103 6.044 9.285 -2.163 1.00 0.00 N ATOM 1491 CA SER A 103 4.645 9.635 -1.952 1.00 0.00 C ATOM 1492 C SER A 103 3.747 8.916 -2.954 1.00 0.00 C ATOM 1493 O SER A 103 2.913 8.093 -2.578 1.00 0.00 O ATOM 1494 CB SER A 103 4.452 11.148 -2.071 1.00 0.00 C ATOM 1495 OG SER A 103 5.485 11.848 -1.399 1.00 0.00 O ATOM 0 H SER A 103 6.690 10.072 -2.097 1.00 0.00 H new ATOM 0 HA SER A 103 4.365 9.318 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.439 11.435 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.486 11.429 -1.652 1.00 0.00 H new ATOM 0 HG SER A 103 5.643 12.706 -1.845 1.00 0.00 H new ATOM 1501 N MET A 104 3.926 9.233 -4.233 1.00 0.00 N ATOM 1502 CA MET A 104 3.133 8.617 -5.290 1.00 0.00 C ATOM 1503 C MET A 104 3.234 7.096 -5.229 1.00 0.00 C ATOM 1504 O MET A 104 2.235 6.391 -5.380 1.00 0.00 O ATOM 1505 CB MET A 104 3.597 9.115 -6.660 1.00 0.00 C ATOM 1506 CG MET A 104 5.095 8.983 -6.880 1.00 0.00 C ATOM 1507 SD MET A 104 5.717 10.126 -8.128 1.00 0.00 S ATOM 1508 CE MET A 104 5.681 11.670 -7.222 1.00 0.00 C ATOM 0 H MET A 104 4.613 9.912 -4.562 1.00 0.00 H new ATOM 0 HA MET A 104 2.091 8.901 -5.141 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.074 8.557 -7.436 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.312 10.161 -6.772 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.614 9.162 -5.938 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.325 7.961 -7.182 1.00 0.00 H new ATOM 0 HE1 MET A 104 6.611 12.213 -7.391 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.841 12.274 -7.565 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.570 11.465 -6.157 1.00 0.00 H new ATOM 1518 N LEU A 105 4.444 6.596 -5.007 1.00 0.00 N ATOM 1519 CA LEU A 105 4.675 5.158 -4.925 1.00 0.00 C ATOM 1520 C LEU A 105 3.786 4.523 -3.861 1.00 0.00 C ATOM 1521 O LEU A 105 3.270 3.421 -4.046 1.00 0.00 O ATOM 1522 CB LEU A 105 6.146 4.874 -4.614 1.00 0.00 C ATOM 1523 CG LEU A 105 6.644 3.468 -4.950 1.00 0.00 C ATOM 1524 CD1 LEU A 105 7.040 3.378 -6.415 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.814 3.089 -4.055 1.00 0.00 C ATOM 0 H LEU A 105 5.281 7.165 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 105 4.423 4.719 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.757 5.594 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.313 5.053 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 105 5.832 2.763 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.392 2.370 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.176 3.606 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.836 4.093 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.156 2.085 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.629 3.798 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.497 3.112 -3.012 1.00 0.00 H new ATOM 1537 N ALA A 106 3.611 5.226 -2.747 1.00 0.00 N ATOM 1538 CA ALA A 106 2.781 4.733 -1.655 1.00 0.00 C ATOM 1539 C ALA A 106 1.334 4.557 -2.101 1.00 0.00 C ATOM 1540 O ALA A 106 0.706 3.539 -1.812 1.00 0.00 O ATOM 1541 CB ALA A 106 2.857 5.680 -0.466 1.00 0.00 C ATOM 0 H ALA A 106 4.033 6.139 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 106 3.162 3.757 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.232 5.300 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.889 5.752 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.504 6.667 -0.764 1.00 0.00 H new ATOM 1547 N GLU A 107 0.811 5.555 -2.807 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.563 5.510 -3.291 1.00 0.00 C ATOM 1549 C GLU A 107 -0.714 4.474 -4.402 1.00 0.00 C ATOM 1550 O GLU A 107 -1.494 3.529 -4.282 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.994 6.887 -3.801 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.500 7.042 -3.936 1.00 0.00 C ATOM 1553 CD GLU A 107 -3.254 6.475 -2.749 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -3.059 6.984 -1.625 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -4.037 5.523 -2.943 1.00 0.00 O ATOM 0 H GLU A 107 1.318 6.404 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.205 5.222 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.618 7.651 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.530 7.068 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.744 8.099 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.833 6.542 -4.846 1.00 0.00 H new ATOM 1562 N ASP A 108 0.036 4.661 -5.483 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.014 3.744 -6.615 1.00 0.00 C ATOM 1564 C ASP A 108 -0.131 2.299 -6.140 1.00 0.00 C ATOM 1565 O ASP A 108 -0.853 1.498 -6.732 1.00 0.00 O ATOM 1566 CB ASP A 108 1.233 3.908 -7.486 1.00 0.00 C ATOM 1567 CG ASP A 108 1.210 5.191 -8.294 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.779 6.228 -7.748 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.625 5.157 -9.471 1.00 0.00 O ATOM 0 H ASP A 108 0.685 5.439 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.897 3.985 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.120 3.897 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.315 3.057 -8.163 1.00 0.00 H new ATOM 1574 N ALA A 109 0.585 1.974 -5.069 1.00 0.00 N ATOM 1575 CA ALA A 109 0.561 0.626 -4.514 1.00 0.00 C ATOM 1576 C ALA A 109 -0.824 0.278 -3.980 1.00 0.00 C ATOM 1577 O ALA A 109 -1.377 -0.774 -4.302 1.00 0.00 O ATOM 1578 CB ALA A 109 1.603 0.490 -3.414 1.00 0.00 C ATOM 0 H ALA A 109 1.189 2.626 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 109 0.800 -0.075 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.574 -0.521 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.593 0.688 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.389 1.206 -2.620 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.378 1.166 -3.162 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.699 0.952 -2.584 1.00 0.00 C ATOM 1586 C ILE A 110 -3.716 0.582 -3.658 1.00 0.00 C ATOM 1587 O ILE A 110 -4.264 -0.520 -3.658 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.194 2.201 -1.832 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.246 2.539 -0.680 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.608 1.982 -1.314 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.305 3.990 -0.255 1.00 0.00 C ATOM 0 H ILE A 110 -0.933 2.041 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.604 0.127 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.208 3.042 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.487 1.908 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.226 2.297 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.944 2.874 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.276 1.784 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.618 1.131 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.607 4.157 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.035 4.627 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.316 4.232 0.073 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.964 1.511 -4.575 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.912 1.284 -5.659 1.00 0.00 C ATOM 1605 C LYS A 111 -4.699 -0.088 -6.290 1.00 0.00 C ATOM 1606 O LYS A 111 -5.608 -0.916 -6.319 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.773 2.375 -6.723 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.620 3.606 -6.447 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.863 4.628 -5.616 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.745 5.811 -5.248 1.00 0.00 C ATOM 1611 NZ LYS A 111 -6.161 6.587 -6.448 1.00 0.00 N ATOM 0 H LYS A 111 -3.521 2.430 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.918 1.319 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.727 2.672 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.052 1.963 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.926 4.058 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.530 3.313 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.489 4.155 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.994 4.980 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.630 5.454 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.208 6.465 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.675 7.440 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.319 6.863 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.781 6.001 -7.043 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.491 -0.320 -6.794 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.157 -1.593 -7.422 1.00 0.00 C ATOM 1627 C ALA A 112 -3.756 -2.761 -6.646 1.00 0.00 C ATOM 1628 O ALA A 112 -4.283 -3.705 -7.235 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.648 -1.748 -7.530 1.00 0.00 C ATOM 0 H ALA A 112 -2.728 0.357 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.585 -1.599 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.413 -2.703 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.241 -0.936 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.207 -1.716 -6.534 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.672 -2.692 -5.322 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.207 -3.744 -4.466 1.00 0.00 C ATOM 1637 C ALA A 113 -5.700 -3.939 -4.705 1.00 0.00 C ATOM 1638 O ALA A 113 -6.116 -4.911 -5.338 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.943 -3.419 -3.003 1.00 0.00 C ATOM 0 H ALA A 113 -3.238 -1.918 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.700 -4.676 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.348 -4.213 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.869 -3.337 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.423 -2.474 -2.748 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.503 -3.012 -4.196 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.952 -3.083 -4.354 1.00 0.00 C ATOM 1647 C LEU A 114 -8.324 -3.511 -5.770 1.00 0.00 C ATOM 1648 O LEU A 114 -9.071 -4.470 -5.962 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.586 -1.728 -4.035 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.276 -1.150 -2.654 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.932 -2.262 -1.675 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -7.138 -0.143 -2.741 1.00 0.00 C ATOM 0 H LEU A 114 -6.176 -2.202 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.334 -3.829 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.260 -1.011 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.667 -1.824 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.164 -0.634 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.714 -1.832 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.776 -2.946 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.059 -2.806 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.931 0.258 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.245 -0.635 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.422 0.670 -3.409 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.798 -2.794 -6.757 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.072 -3.103 -8.155 1.00 0.00 C ATOM 1666 C ALA A 115 -7.847 -4.583 -8.445 1.00 0.00 C ATOM 1667 O ALA A 115 -8.793 -5.325 -8.709 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.203 -2.247 -9.065 1.00 0.00 C ATOM 0 H ALA A 115 -7.180 -1.995 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.120 -2.876 -8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.418 -2.488 -10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.416 -1.193 -8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.152 -2.446 -8.856 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.588 -5.006 -8.396 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.239 -6.398 -8.653 1.00 0.00 C ATOM 1676 C ASP A 116 -7.257 -7.340 -8.017 1.00 0.00 C ATOM 1677 O ASP A 116 -7.748 -8.266 -8.663 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.839 -6.703 -8.117 1.00 0.00 C ATOM 1679 CG ASP A 116 -3.747 -6.305 -9.090 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.958 -5.342 -9.857 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -2.682 -6.957 -9.086 1.00 0.00 O ATOM 0 H ASP A 116 -5.793 -4.405 -8.181 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.249 -6.556 -9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.691 -6.176 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.760 -7.769 -7.902 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.568 -7.098 -6.749 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.524 -7.927 -6.025 1.00 0.00 C ATOM 1688 C TYR A 117 -9.887 -7.912 -6.711 1.00 0.00 C ATOM 1689 O TYR A 117 -10.543 -8.946 -6.837 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.662 -7.440 -4.581 1.00 0.00 C ATOM 1691 CG TYR A 117 -10.008 -7.747 -3.965 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.249 -8.967 -3.346 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.039 -6.815 -4.000 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.478 -9.252 -2.783 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.270 -7.091 -3.438 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.485 -8.311 -2.831 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.710 -8.590 -2.269 1.00 0.00 O ATOM 0 H TYR A 117 -7.172 -6.334 -6.201 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.150 -8.951 -6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.881 -7.900 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.496 -6.363 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.462 -9.705 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.874 -5.859 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.649 -10.207 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.060 -6.356 -3.474 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.307 -7.822 -2.388 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.306 -6.731 -7.154 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.589 -6.579 -7.829 1.00 0.00 C ATOM 1709 C LYS A 118 -11.593 -7.320 -9.163 1.00 0.00 C ATOM 1710 O LYS A 118 -12.555 -8.013 -9.497 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.897 -5.097 -8.056 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.191 -4.335 -6.776 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.862 -2.858 -6.918 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.583 -2.216 -5.568 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.825 -1.692 -4.935 1.00 0.00 N ATOM 0 H LYS A 118 -9.775 -5.865 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.360 -7.011 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.050 -4.631 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.753 -5.011 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.243 -4.451 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.611 -4.761 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.993 -2.738 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.693 -2.344 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.120 -2.948 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.868 -1.403 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.574 -1.049 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.385 -1.176 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.385 -2.485 -4.562 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.512 -7.170 -9.920 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.390 -7.826 -11.218 1.00 0.00 C ATOM 1731 C LEU A 119 -10.785 -9.297 -11.123 1.00 0.00 C ATOM 1732 O LEU A 119 -11.444 -9.833 -12.014 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.958 -7.703 -11.741 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.356 -6.298 -11.725 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.065 -6.260 -12.527 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.353 -5.284 -12.267 1.00 0.00 C ATOM 0 H LEU A 119 -9.707 -6.600 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.068 -7.331 -11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.319 -8.357 -11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.933 -8.075 -12.765 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.125 -6.035 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.652 -5.252 -12.504 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.347 -6.957 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.269 -6.545 -13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.907 -4.290 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.616 -5.544 -13.292 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.251 -5.291 -11.649 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.378 -9.944 -10.036 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.691 -11.352 -9.822 1.00 0.00 C ATOM 1750 C LYS A 120 -12.170 -11.538 -9.499 1.00 0.00 C ATOM 1751 O LYS A 120 -12.733 -12.610 -9.720 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.835 -11.919 -8.687 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.412 -11.388 -8.675 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.442 -12.407 -8.100 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.935 -13.360 -9.171 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.091 -14.444 -8.595 1.00 0.00 N ATOM 0 H LYS A 120 -9.831 -9.516 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.468 -11.892 -10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.309 -11.685 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.808 -13.005 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.110 -11.130 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.370 -10.471 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.598 -11.890 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.934 -12.974 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.783 -13.800 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.357 -12.803 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.765 -15.072 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.268 -14.026 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.650 -14.992 -7.910 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.793 -10.487 -8.976 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.207 -10.535 -8.623 1.00 0.00 C ATOM 1772 C GLN A 121 -15.083 -10.404 -9.865 1.00 0.00 C ATOM 1773 O GLN A 121 -16.173 -10.971 -9.930 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.545 -9.424 -7.628 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.749 -9.503 -6.335 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.890 -10.844 -5.644 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.938 -11.156 -5.077 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.833 -11.647 -5.686 1.00 0.00 N ATOM 0 H GLN A 121 -12.341 -9.592 -8.787 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.406 -11.501 -8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.363 -8.458 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.609 -9.469 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.696 -9.318 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.081 -8.714 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.984 -11.348 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.870 -12.562 -5.237 1.00 0.00 H new ATOM 1787 N GLU A 122 -14.597 -9.653 -10.849 1.00 0.00 N ATOM 1788 CA GLU A 122 -15.337 -9.447 -12.089 1.00 0.00 C ATOM 1789 C GLU A 122 -15.057 -10.571 -13.082 1.00 0.00 C ATOM 1790 O GLU A 122 -15.879 -10.866 -13.950 1.00 0.00 O ATOM 1791 CB GLU A 122 -14.970 -8.098 -12.710 1.00 0.00 C ATOM 1792 CG GLU A 122 -13.565 -8.057 -13.289 1.00 0.00 C ATOM 1793 CD GLU A 122 -13.365 -6.903 -14.251 1.00 0.00 C ATOM 1794 OE1 GLU A 122 -13.215 -5.756 -13.781 1.00 0.00 O ATOM 1795 OE2 GLU A 122 -13.357 -7.147 -15.476 1.00 0.00 O ATOM 0 H GLU A 122 -13.695 -9.178 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 122 -16.401 -9.451 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -15.686 -7.863 -13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -15.064 -7.321 -11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -12.843 -7.977 -12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.361 -8.995 -13.805 1.00 0.00 H new ATOM 1802 N SER A 123 -13.890 -11.193 -12.949 1.00 0.00 N ATOM 1803 CA SER A 123 -13.498 -12.281 -13.837 1.00 0.00 C ATOM 1804 C SER A 123 -12.496 -13.207 -13.154 1.00 0.00 C ATOM 1805 O SER A 123 -11.884 -12.845 -12.149 1.00 0.00 O ATOM 1806 CB SER A 123 -12.896 -11.723 -15.128 1.00 0.00 C ATOM 1807 OG SER A 123 -12.797 -12.728 -16.122 1.00 0.00 O ATOM 0 H SER A 123 -13.199 -10.962 -12.235 1.00 0.00 H new ATOM 0 HA SER A 123 -14.391 -12.857 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 123 -13.513 -10.903 -15.496 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.908 -11.311 -14.924 1.00 0.00 H new ATOM 0 HG SER A 123 -12.411 -12.345 -16.937 1.00 0.00 H new ATOM 1813 N LYS A 124 -12.333 -14.404 -13.707 1.00 0.00 N ATOM 1814 CA LYS A 124 -11.405 -15.383 -13.153 1.00 0.00 C ATOM 1815 C LYS A 124 -10.400 -15.835 -14.207 1.00 0.00 C ATOM 1816 O LYS A 124 -10.779 -16.266 -15.296 1.00 0.00 O ATOM 1817 CB LYS A 124 -12.171 -16.592 -12.611 1.00 0.00 C ATOM 1818 CG LYS A 124 -12.805 -17.446 -13.695 1.00 0.00 C ATOM 1819 CD LYS A 124 -13.561 -18.625 -13.105 1.00 0.00 C ATOM 1820 CE LYS A 124 -13.764 -19.728 -14.133 1.00 0.00 C ATOM 1821 NZ LYS A 124 -12.576 -20.622 -14.229 1.00 0.00 N ATOM 0 H LYS A 124 -12.832 -14.720 -14.539 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.860 -14.910 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.491 -17.210 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.950 -16.244 -11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -13.486 -16.836 -14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.032 -17.810 -14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -13.012 -19.020 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -14.529 -18.289 -12.734 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -14.641 -20.317 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -13.964 -19.284 -15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.754 -21.360 -14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.744 -20.065 -14.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.400 -21.066 -13.305 1.00 0.00 H new ATOM 1835 N SER A 125 -9.116 -15.736 -13.875 1.00 0.00 N ATOM 1836 CA SER A 125 -8.056 -16.133 -14.794 1.00 0.00 C ATOM 1837 C SER A 125 -7.158 -17.193 -14.162 1.00 0.00 C ATOM 1838 O SER A 125 -7.185 -17.403 -12.950 1.00 0.00 O ATOM 1839 CB SER A 125 -7.221 -14.917 -15.199 1.00 0.00 C ATOM 1840 OG SER A 125 -6.740 -14.226 -14.059 1.00 0.00 O ATOM 0 H SER A 125 -8.785 -15.384 -12.976 1.00 0.00 H new ATOM 0 HA SER A 125 -8.521 -16.558 -15.684 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.381 -15.238 -15.815 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.824 -14.244 -15.808 1.00 0.00 H new ATOM 0 HG SER A 125 -6.208 -13.454 -14.345 1.00 0.00 H new ATOM 1846 N GLY A 126 -6.362 -17.858 -14.994 1.00 0.00 N ATOM 1847 CA GLY A 126 -5.467 -18.888 -14.500 1.00 0.00 C ATOM 1848 C GLY A 126 -4.324 -18.319 -13.684 1.00 0.00 C ATOM 1849 O GLY A 126 -4.090 -17.111 -13.661 1.00 0.00 O ATOM 0 H GLY A 126 -6.321 -17.702 -16.001 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -6.031 -19.592 -13.888 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.064 -19.449 -15.343 1.00 0.00 H new ATOM 1853 N PRO A 127 -3.589 -19.203 -12.991 1.00 0.00 N ATOM 1854 CA PRO A 127 -2.453 -18.805 -12.156 1.00 0.00 C ATOM 1855 C PRO A 127 -1.267 -18.319 -12.982 1.00 0.00 C ATOM 1856 O PRO A 127 -0.202 -18.020 -12.442 1.00 0.00 O ATOM 1857 CB PRO A 127 -2.092 -20.092 -11.410 1.00 0.00 C ATOM 1858 CG PRO A 127 -2.580 -21.190 -12.292 1.00 0.00 C ATOM 1859 CD PRO A 127 -3.811 -20.658 -12.972 1.00 0.00 C ATOM 0 HA PRO A 127 -2.703 -17.971 -11.500 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.017 -20.165 -11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.569 -20.129 -10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.821 -21.471 -13.022 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.810 -22.084 -11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -3.920 -21.061 -13.979 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -4.717 -20.919 -12.425 1.00 0.00 H new ATOM 1867 N SER A 128 -1.459 -18.241 -14.295 1.00 0.00 N ATOM 1868 CA SER A 128 -0.405 -17.794 -15.197 1.00 0.00 C ATOM 1869 C SER A 128 -0.225 -16.281 -15.115 1.00 0.00 C ATOM 1870 O SER A 128 -0.333 -15.577 -16.119 1.00 0.00 O ATOM 1871 CB SER A 128 -0.727 -18.203 -16.636 1.00 0.00 C ATOM 1872 OG SER A 128 0.430 -18.149 -17.453 1.00 0.00 O ATOM 0 H SER A 128 -2.336 -18.482 -14.758 1.00 0.00 H new ATOM 0 HA SER A 128 0.526 -18.271 -14.891 1.00 0.00 H new ATOM 0 HB2 SER A 128 -1.137 -19.213 -16.647 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.494 -17.543 -17.042 1.00 0.00 H new ATOM 0 HG SER A 128 0.198 -18.416 -18.367 1.00 0.00 H new ATOM 1878 N SER A 129 0.050 -15.788 -13.912 1.00 0.00 N ATOM 1879 CA SER A 129 0.241 -14.359 -13.696 1.00 0.00 C ATOM 1880 C SER A 129 1.649 -14.070 -13.185 1.00 0.00 C ATOM 1881 O SER A 129 2.196 -14.822 -12.380 1.00 0.00 O ATOM 1882 CB SER A 129 -0.793 -13.829 -12.701 1.00 0.00 C ATOM 1883 OG SER A 129 -0.895 -12.417 -12.775 1.00 0.00 O ATOM 0 H SER A 129 0.146 -16.358 -13.071 1.00 0.00 H new ATOM 0 HA SER A 129 0.109 -13.852 -14.652 1.00 0.00 H new ATOM 0 HB2 SER A 129 -1.764 -14.278 -12.907 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.514 -14.124 -11.690 1.00 0.00 H new ATOM 0 HG SER A 129 -1.563 -12.103 -12.131 1.00 0.00 H new ATOM 1889 N GLY A 130 2.231 -12.973 -13.661 1.00 0.00 N ATOM 1890 CA GLY A 130 3.571 -12.603 -13.242 1.00 0.00 C ATOM 1891 C GLY A 130 3.601 -11.284 -12.496 1.00 0.00 C ATOM 1892 O GLY A 130 2.623 -10.541 -12.553 1.00 0.00 O ATOM 0 H GLY A 130 1.799 -12.334 -14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 130 3.978 -13.387 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 130 4.217 -12.537 -14.117 1.00 0.00 H new TER 1896 GLY A 130 HETATM 1897 ZN ZN A 201 13.469 6.254 -3.189 1.00 0.00 ZN