USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -77:sc= 0.719 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.48! C(o=-4.8!,f=-1.9!) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.228 K(o=-0.23,f=-3.8!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 ASN : amide:sc= -0.117 K(o=-4.4,f=-15!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -4.25! C(o=-4.4!,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= 1.1 (180deg=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -5.07! C(o=-5.1!,f=-3.7!) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.051) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0981 USER MOD Single : A 16 GLN : amide:sc= -0.04 K(o=-0.04,f=2.2) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-1) USER MOD Single : A 19 THR OG1 : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.212 K(o=0.21,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= -0.336 (180deg=-1.14) USER MOD Single : A 40 THR OG1 : rot 160:sc= -0.696 USER MOD Single : A 42 GLN : amide:sc= -4.1! K(o=-4.1!,f=0.32) USER MOD Single : A 47 THR OG1 : rot 32:sc= 0.262 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.294 USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 0.00823 (180deg=-0.313) USER MOD Single : A 54 ASN : amide:sc= -9.69! C(o=-9.7!,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -21:sc= -2.44! USER MOD Single : A 65 MET CE :methyl -165:sc= -0.0188 (180deg=-0.0908) USER MOD Single : A 67 TYR OH : rot 45:sc= 1.22 USER MOD Single : A 70 ASN : amide:sc= -6.31! K(o=-6.3!,f=-0.65) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -2.65! (180deg=-3.44!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -137:sc= -0.0567 (180deg=-0.692) USER MOD Single : A 80 MET CE :methyl 153:sc= 0 (180deg=-0.0245) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= -0.0163 (180deg=-0.208) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 0.0158 (180deg=-0.69) USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= -0.0129 (180deg=-0.215) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 146:sc= 0.0466 USER MOD Single : A 99 LYS NZ :NH3+ -132:sc= 0.886 (180deg=-0.586) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.0108 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.408 8.358 -8.661 1.00 0.00 N ATOM 11 CA ASP A 2 73.945 7.595 -9.818 1.00 0.00 C ATOM 12 C ASP A 2 74.344 6.131 -9.692 1.00 0.00 C ATOM 13 O ASP A 2 75.401 5.721 -10.170 1.00 0.00 O ATOM 14 CB ASP A 2 74.539 8.178 -11.099 1.00 0.00 C ATOM 15 CG ASP A 2 73.938 9.554 -11.371 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.089 9.970 -10.599 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.336 10.171 -12.345 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.858 7.660 -9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.622 8.257 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.340 7.512 -11.939 1.00 0.00 H new ATOM 22 N VAL A 3 73.485 5.347 -9.051 1.00 0.00 N ATOM 23 CA VAL A 3 73.747 3.926 -8.872 1.00 0.00 C ATOM 24 C VAL A 3 74.120 3.286 -10.205 1.00 0.00 C ATOM 25 O VAL A 3 74.681 2.191 -10.242 1.00 0.00 O ATOM 26 CB VAL A 3 72.504 3.242 -8.296 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.286 3.589 -9.152 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.706 1.726 -8.293 1.00 0.00 C ATOM 0 H VAL A 3 72.605 5.670 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 3 74.580 3.804 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 3 72.343 3.589 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.402 3.102 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.138 4.669 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.449 3.244 -10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.820 1.242 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.870 1.379 -9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.573 1.476 -7.681 1.00 0.00 H new ATOM 38 N GLU A 4 73.804 3.975 -11.297 1.00 0.00 N ATOM 39 CA GLU A 4 74.110 3.456 -12.626 1.00 0.00 C ATOM 40 C GLU A 4 75.600 3.577 -12.923 1.00 0.00 C ATOM 41 O GLU A 4 76.274 2.580 -13.184 1.00 0.00 O ATOM 42 CB GLU A 4 73.311 4.222 -13.684 1.00 0.00 C ATOM 43 CG GLU A 4 71.815 4.048 -13.418 1.00 0.00 C ATOM 44 CD GLU A 4 71.013 4.969 -14.332 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.621 5.810 -14.972 1.00 0.00 O ATOM 46 OE2 GLU A 4 69.804 4.817 -14.380 1.00 0.00 O1- ATOM 0 H GLU A 4 73.341 4.884 -11.290 1.00 0.00 H new ATOM 0 HA GLU A 4 73.833 2.402 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.575 5.279 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.559 3.854 -14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.525 3.011 -13.588 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.594 4.274 -12.375 1.00 0.00 H new ATOM 53 N LYS A 5 76.114 4.801 -12.875 1.00 0.00 N ATOM 54 CA LYS A 5 77.529 5.026 -13.136 1.00 0.00 C ATOM 55 C LYS A 5 78.354 4.555 -11.949 1.00 0.00 C ATOM 56 O LYS A 5 79.556 4.321 -12.069 1.00 0.00 O ATOM 57 CB LYS A 5 77.790 6.510 -13.398 1.00 0.00 C ATOM 58 CG LYS A 5 77.287 6.878 -14.798 1.00 0.00 C ATOM 59 CD LYS A 5 77.222 8.404 -14.943 1.00 0.00 C ATOM 60 CE LYS A 5 75.868 8.915 -14.444 1.00 0.00 C ATOM 61 NZ LYS A 5 75.828 10.401 -14.549 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.579 5.643 -12.660 1.00 0.00 H new ATOM 0 HA LYS A 5 77.819 4.459 -14.020 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.284 7.117 -12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.856 6.723 -13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.951 6.460 -15.554 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.301 6.445 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.028 8.867 -14.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.365 8.686 -15.986 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.062 8.476 -15.033 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.710 8.609 -13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.253 10.788 -13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.795 10.780 -14.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.409 10.673 -15.461 1.00 0.00 H new ATOM 75 N GLY A 6 77.694 4.395 -10.810 1.00 0.00 N ATOM 76 CA GLY A 6 78.375 3.923 -9.616 1.00 0.00 C ATOM 77 C GLY A 6 78.702 2.449 -9.783 1.00 0.00 C ATOM 78 O GLY A 6 79.769 1.980 -9.383 1.00 0.00 O ATOM 0 H GLY A 6 76.699 4.583 -10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.288 4.495 -9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.745 4.072 -8.739 1.00 0.00 H new ATOM 82 N LYS A 7 77.774 1.730 -10.405 1.00 0.00 N ATOM 83 CA LYS A 7 77.960 0.313 -10.658 1.00 0.00 C ATOM 84 C LYS A 7 79.081 0.116 -11.671 1.00 0.00 C ATOM 85 O LYS A 7 79.930 -0.759 -11.511 1.00 0.00 O ATOM 86 CB LYS A 7 76.664 -0.296 -11.196 1.00 0.00 C ATOM 87 CG LYS A 7 76.863 -1.794 -11.445 1.00 0.00 C ATOM 88 CD LYS A 7 75.568 -2.406 -11.997 1.00 0.00 C ATOM 89 CE LYS A 7 75.905 -3.458 -13.057 1.00 0.00 C ATOM 90 NZ LYS A 7 74.670 -4.209 -13.422 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.888 2.108 -10.741 1.00 0.00 H new ATOM 0 HA LYS A 7 78.225 -0.184 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.854 -0.140 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.374 0.201 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.679 -1.949 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 7 77.145 -2.292 -10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.996 -2.861 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.942 -1.626 -12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.326 -2.978 -13.940 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.662 -4.144 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.898 -4.924 -14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.287 -4.679 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.962 -3.549 -13.802 1.00 0.00 H new ATOM 104 N LYS A 8 79.079 0.944 -12.714 1.00 0.00 N ATOM 105 CA LYS A 8 80.104 0.856 -13.748 1.00 0.00 C ATOM 106 C LYS A 8 81.497 0.971 -13.132 1.00 0.00 C ATOM 107 O LYS A 8 82.390 0.164 -13.412 1.00 0.00 O ATOM 108 CB LYS A 8 79.897 1.975 -14.774 1.00 0.00 C ATOM 109 CG LYS A 8 81.025 1.947 -15.818 1.00 0.00 C ATOM 110 CD LYS A 8 82.048 3.052 -15.517 1.00 0.00 C ATOM 111 CE LYS A 8 81.497 4.414 -15.959 1.00 0.00 C ATOM 112 NZ LYS A 8 82.627 5.368 -16.144 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.385 1.677 -12.864 1.00 0.00 H new ATOM 0 HA LYS A 8 80.021 -0.112 -14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.932 1.854 -15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.880 2.942 -14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.516 0.974 -15.809 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.611 2.086 -16.817 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.272 3.070 -14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.984 2.844 -16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.939 4.309 -16.890 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.801 4.797 -15.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.256 6.292 -16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 83.141 5.476 -15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.274 5.003 -16.871 1.00 0.00 H new ATOM 126 N ILE A 9 81.678 1.982 -12.292 1.00 0.00 N ATOM 127 CA ILE A 9 82.962 2.199 -11.643 1.00 0.00 C ATOM 128 C ILE A 9 83.284 1.058 -10.686 1.00 0.00 C ATOM 129 O ILE A 9 84.444 0.810 -10.382 1.00 0.00 O ATOM 130 CB ILE A 9 82.937 3.517 -10.869 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.679 4.674 -11.839 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.283 3.726 -10.172 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.263 5.917 -11.051 1.00 0.00 C ATOM 0 H ILE A 9 80.957 2.660 -12.046 1.00 0.00 H new ATOM 0 HA ILE A 9 83.732 2.239 -12.414 1.00 0.00 H new ATOM 0 HB ILE A 9 82.143 3.485 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.577 4.883 -12.420 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.897 4.401 -12.548 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.265 4.666 -9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.467 2.903 -9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.078 3.758 -10.917 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.079 6.741 -11.741 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.353 5.704 -10.490 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.060 6.193 -10.360 1.00 0.00 H new ATOM 145 N PHE A 10 82.253 0.378 -10.203 1.00 0.00 N ATOM 146 CA PHE A 10 82.457 -0.720 -9.261 1.00 0.00 C ATOM 147 C PHE A 10 82.908 -1.997 -9.971 1.00 0.00 C ATOM 148 O PHE A 10 83.906 -2.607 -9.586 1.00 0.00 O ATOM 149 CB PHE A 10 81.156 -0.994 -8.495 1.00 0.00 C ATOM 150 CG PHE A 10 81.148 -2.423 -8.003 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.663 -3.443 -8.829 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.640 -2.727 -6.730 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.672 -4.769 -8.383 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.646 -4.054 -6.282 1.00 0.00 C ATOM 155 CZ PHE A 10 81.163 -5.076 -7.111 1.00 0.00 C ATOM 0 H PHE A 10 81.279 0.562 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 10 83.244 -0.422 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.067 -0.308 -7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.297 -0.817 -9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.282 -3.207 -9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.015 -1.940 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.299 -5.556 -9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.023 -4.290 -5.298 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.170 -6.100 -6.767 1.00 0.00 H new ATOM 165 N VAL A 11 82.159 -2.403 -10.992 1.00 0.00 N ATOM 166 CA VAL A 11 82.481 -3.622 -11.729 1.00 0.00 C ATOM 167 C VAL A 11 83.913 -3.596 -12.234 1.00 0.00 C ATOM 168 O VAL A 11 84.545 -4.641 -12.388 1.00 0.00 O ATOM 169 CB VAL A 11 81.533 -3.792 -12.916 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.104 -3.959 -12.408 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.606 -2.556 -13.810 1.00 0.00 C ATOM 0 H VAL A 11 81.331 -1.910 -11.327 1.00 0.00 H new ATOM 0 HA VAL A 11 82.365 -4.462 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 11 81.825 -4.674 -13.486 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.429 -4.080 -13.255 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.046 -4.840 -11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.815 -3.076 -11.837 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.930 -2.678 -14.656 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.315 -1.675 -13.237 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.625 -2.431 -14.176 1.00 0.00 H new ATOM 181 N GLN A 12 84.414 -2.403 -12.516 1.00 0.00 N ATOM 182 CA GLN A 12 85.774 -2.275 -13.033 1.00 0.00 C ATOM 183 C GLN A 12 86.785 -1.930 -11.936 1.00 0.00 C ATOM 184 O GLN A 12 87.981 -2.169 -12.104 1.00 0.00 O ATOM 185 CB GLN A 12 85.823 -1.215 -14.135 1.00 0.00 C ATOM 186 CG GLN A 12 85.400 0.152 -13.582 1.00 0.00 C ATOM 187 CD GLN A 12 84.744 0.976 -14.682 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.073 2.147 -14.863 1.00 0.00 O ATOM 189 NE2 GLN A 12 83.830 0.429 -15.432 1.00 0.00 N ATOM 0 H GLN A 12 83.913 -1.522 -12.400 1.00 0.00 H new ATOM 0 HA GLN A 12 86.053 -3.246 -13.442 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.832 -1.153 -14.544 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.164 -1.503 -14.954 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.706 0.019 -12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.269 0.680 -13.189 1.00 0.00 H new ATOM 0 HE21 GLN A 12 83.559 -0.543 -15.279 1.00 0.00 H new ATOM 0 HE22 GLN A 12 83.385 0.972 -16.172 1.00 0.00 H new ATOM 198 N LYS A 13 86.322 -1.354 -10.825 1.00 0.00 N ATOM 199 CA LYS A 13 87.242 -0.977 -9.745 1.00 0.00 C ATOM 200 C LYS A 13 87.255 -1.967 -8.579 1.00 0.00 C ATOM 201 O LYS A 13 88.275 -2.594 -8.309 1.00 0.00 O ATOM 202 CB LYS A 13 86.885 0.409 -9.194 1.00 0.00 C ATOM 203 CG LYS A 13 87.072 1.472 -10.278 1.00 0.00 C ATOM 204 CD LYS A 13 88.556 1.599 -10.642 1.00 0.00 C ATOM 205 CE LYS A 13 88.815 2.976 -11.256 1.00 0.00 C ATOM 206 NZ LYS A 13 88.916 3.993 -10.171 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.340 -1.141 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 13 88.235 -0.977 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.853 0.414 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.515 0.640 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 13 86.494 1.205 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.692 2.431 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 89.172 1.464 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.837 0.816 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.736 2.958 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.009 3.238 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.306 4.876 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.971 4.175 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.542 3.638 -9.420 1.00 0.00 H new ATOM 220 N CYS A 14 86.146 -2.047 -7.846 1.00 0.00 N ATOM 221 CA CYS A 14 86.088 -2.902 -6.655 1.00 0.00 C ATOM 222 C CYS A 14 85.789 -4.372 -6.952 1.00 0.00 C ATOM 223 O CYS A 14 86.314 -5.253 -6.274 1.00 0.00 O ATOM 224 CB CYS A 14 85.047 -2.346 -5.681 1.00 0.00 C ATOM 225 SG CYS A 14 84.919 -0.546 -5.886 1.00 0.00 S ATOM 0 H CYS A 14 85.285 -1.539 -8.049 1.00 0.00 H new ATOM 0 HA CYS A 14 87.085 -2.884 -6.215 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.079 -2.812 -5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.329 -2.586 -4.656 1.00 0.00 H new ATOM 0 HG CYS A 14 84.032 -0.077 -5.059 1.00 0.00 H new ATOM 230 N ALA A 15 84.952 -4.651 -7.937 1.00 0.00 N ATOM 231 CA ALA A 15 84.625 -6.042 -8.238 1.00 0.00 C ATOM 232 C ALA A 15 85.897 -6.882 -8.305 1.00 0.00 C ATOM 233 O ALA A 15 85.873 -8.086 -8.048 1.00 0.00 O ATOM 234 CB ALA A 15 83.877 -6.131 -9.569 1.00 0.00 C ATOM 0 H ALA A 15 84.495 -3.958 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 15 83.987 -6.428 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.638 -7.173 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.955 -5.553 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.504 -5.731 -10.366 1.00 0.00 H new ATOM 240 N GLN A 16 87.007 -6.237 -8.644 1.00 0.00 N ATOM 241 CA GLN A 16 88.286 -6.931 -8.739 1.00 0.00 C ATOM 242 C GLN A 16 88.545 -7.787 -7.501 1.00 0.00 C ATOM 243 O GLN A 16 88.652 -9.009 -7.598 1.00 0.00 O ATOM 244 CB GLN A 16 89.418 -5.917 -8.901 1.00 0.00 C ATOM 245 CG GLN A 16 89.262 -5.179 -10.231 1.00 0.00 C ATOM 246 CD GLN A 16 90.519 -4.367 -10.524 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.710 -3.290 -9.959 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.395 -4.823 -11.378 1.00 0.00 N ATOM 0 H GLN A 16 87.048 -5.240 -8.857 1.00 0.00 H new ATOM 0 HA GLN A 16 88.248 -7.586 -9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.403 -5.206 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.382 -6.425 -8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.084 -5.894 -11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.394 -4.521 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.235 -5.716 -11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.239 -4.287 -11.578 1.00 0.00 H new ATOM 257 N CYS A 17 88.667 -7.141 -6.338 1.00 0.00 N ATOM 258 CA CYS A 17 88.936 -7.866 -5.095 1.00 0.00 C ATOM 259 C CYS A 17 87.837 -7.627 -4.052 1.00 0.00 C ATOM 260 O CYS A 17 88.128 -7.343 -2.890 1.00 0.00 O ATOM 261 CB CYS A 17 90.296 -7.428 -4.521 1.00 0.00 C ATOM 262 SG CYS A 17 91.319 -6.706 -5.835 1.00 0.00 S ATOM 0 H CYS A 17 88.585 -6.130 -6.232 1.00 0.00 H new ATOM 0 HA CYS A 17 88.955 -8.931 -5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.146 -6.700 -3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.807 -8.284 -4.080 1.00 0.00 H new ATOM 0 HG CYS A 17 92.463 -6.337 -5.341 1.00 0.00 H new ATOM 267 N HIS A 18 86.575 -7.761 -4.461 1.00 0.00 N ATOM 268 CA HIS A 18 85.460 -7.569 -3.529 1.00 0.00 C ATOM 269 C HIS A 18 84.226 -8.341 -3.990 1.00 0.00 C ATOM 270 O HIS A 18 84.269 -9.067 -4.982 1.00 0.00 O ATOM 271 CB HIS A 18 85.110 -6.080 -3.404 1.00 0.00 C ATOM 272 CG HIS A 18 86.062 -5.404 -2.453 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.830 -5.347 -1.086 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.237 -4.732 -2.659 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.846 -4.659 -0.532 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.733 -4.259 -1.447 1.00 0.00 N ATOM 0 H HIS A 18 86.300 -7.998 -5.414 1.00 0.00 H new ATOM 0 HA HIS A 18 85.773 -7.948 -2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.161 -5.603 -4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.086 -5.968 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.709 -4.590 -3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.933 -4.455 0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.587 -3.724 -1.292 1.00 0.00 H new ATOM 284 N THR A 19 83.128 -8.180 -3.252 1.00 0.00 N ATOM 285 CA THR A 19 81.879 -8.866 -3.579 1.00 0.00 C ATOM 286 C THR A 19 80.686 -7.929 -3.371 1.00 0.00 C ATOM 287 O THR A 19 79.746 -7.916 -4.167 1.00 0.00 O ATOM 288 CB THR A 19 81.733 -10.107 -2.687 1.00 0.00 C ATOM 289 OG1 THR A 19 82.743 -10.085 -1.687 1.00 0.00 O ATOM 290 CG2 THR A 19 81.885 -11.374 -3.528 1.00 0.00 C ATOM 0 H THR A 19 83.078 -7.583 -2.427 1.00 0.00 H new ATOM 0 HA THR A 19 81.901 -9.170 -4.626 1.00 0.00 H new ATOM 0 HB THR A 19 80.748 -10.101 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.560 -10.781 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.780 -12.250 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.115 -11.394 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.869 -11.383 -3.998 1.00 0.00 H new ATOM 298 N VAL A 20 80.742 -7.147 -2.299 1.00 0.00 N ATOM 299 CA VAL A 20 79.681 -6.195 -1.977 1.00 0.00 C ATOM 300 C VAL A 20 78.292 -6.787 -2.199 1.00 0.00 C ATOM 301 O VAL A 20 77.335 -6.054 -2.448 1.00 0.00 O ATOM 302 CB VAL A 20 79.843 -4.922 -2.811 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.277 -4.409 -2.676 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.555 -5.219 -4.282 1.00 0.00 C ATOM 0 H VAL A 20 81.515 -7.153 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 20 79.772 -5.954 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 20 79.141 -4.169 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.396 -3.502 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.488 -4.189 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.971 -5.170 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.673 -4.307 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.252 -5.975 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.534 -5.587 -4.386 1.00 0.00 H new ATOM 314 N GLU A 21 78.177 -8.108 -2.095 1.00 0.00 N ATOM 315 CA GLU A 21 76.884 -8.767 -2.276 1.00 0.00 C ATOM 316 C GLU A 21 76.549 -9.616 -1.051 1.00 0.00 C ATOM 317 O GLU A 21 77.230 -10.597 -0.754 1.00 0.00 O ATOM 318 CB GLU A 21 76.901 -9.636 -3.540 1.00 0.00 C ATOM 319 CG GLU A 21 77.723 -10.904 -3.300 1.00 0.00 C ATOM 320 CD GLU A 21 78.206 -11.476 -4.629 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.798 -10.962 -5.657 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.977 -12.422 -4.599 1.00 0.00 O ATOM 0 H GLU A 21 78.952 -8.738 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 21 76.115 -8.003 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.882 -9.902 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.323 -9.072 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.577 -10.678 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.119 -11.644 -2.775 1.00 0.00 H new ATOM 329 N LYS A 22 75.502 -9.216 -0.337 1.00 0.00 N ATOM 330 CA LYS A 22 75.083 -9.930 0.865 1.00 0.00 C ATOM 331 C LYS A 22 75.186 -11.439 0.668 1.00 0.00 C ATOM 332 O LYS A 22 74.999 -11.946 -0.438 1.00 0.00 O ATOM 333 CB LYS A 22 73.639 -9.553 1.213 1.00 0.00 C ATOM 334 CG LYS A 22 73.235 -10.195 2.547 1.00 0.00 C ATOM 335 CD LYS A 22 74.101 -9.631 3.683 1.00 0.00 C ATOM 336 CE LYS A 22 73.318 -9.675 4.998 1.00 0.00 C ATOM 337 NZ LYS A 22 74.193 -9.216 6.113 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.929 -8.404 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 22 75.745 -9.644 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.543 -8.469 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.967 -9.886 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.182 -10.000 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.354 -11.277 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 22 75.019 -10.211 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.393 -8.606 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.435 -9.040 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.967 -10.689 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 73.661 -9.246 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 75.022 -9.840 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 74.507 -8.242 5.929 1.00 0.00 H new ATOM 351 N GLY A 23 75.480 -12.150 1.753 1.00 0.00 N ATOM 352 CA GLY A 23 75.603 -13.602 1.698 1.00 0.00 C ATOM 353 C GLY A 23 76.481 -14.039 0.532 1.00 0.00 C ATOM 354 O GLY A 23 76.319 -15.137 0.000 1.00 0.00 O ATOM 0 H GLY A 23 75.637 -11.746 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 76.027 -13.969 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.614 -14.049 1.599 1.00 0.00 H new ATOM 358 N GLY A 24 77.410 -13.175 0.137 1.00 0.00 N ATOM 359 CA GLY A 24 78.306 -13.487 -0.969 1.00 0.00 C ATOM 360 C GLY A 24 79.496 -14.311 -0.491 1.00 0.00 C ATOM 361 O GLY A 24 79.353 -15.203 0.345 1.00 0.00 O ATOM 0 H GLY A 24 77.561 -12.260 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.763 -14.037 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.659 -12.563 -1.428 1.00 0.00 H new ATOM 365 N LYS A 25 80.669 -14.002 -1.032 1.00 0.00 N ATOM 366 CA LYS A 25 81.887 -14.715 -0.660 1.00 0.00 C ATOM 367 C LYS A 25 83.104 -13.808 -0.820 1.00 0.00 C ATOM 368 O LYS A 25 83.560 -13.555 -1.934 1.00 0.00 O ATOM 369 CB LYS A 25 82.055 -15.963 -1.534 1.00 0.00 C ATOM 370 CG LYS A 25 81.757 -15.621 -3.004 1.00 0.00 C ATOM 371 CD LYS A 25 80.334 -16.059 -3.365 1.00 0.00 C ATOM 372 CE LYS A 25 80.059 -15.742 -4.837 1.00 0.00 C ATOM 373 NZ LYS A 25 78.694 -16.216 -5.201 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.803 -13.267 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 25 81.806 -15.017 0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.070 -16.348 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.383 -16.750 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.869 -14.549 -3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.476 -16.119 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.214 -17.127 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.612 -15.545 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.141 -14.669 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.804 -16.225 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.507 -16.001 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 78.632 -17.243 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 77.989 -15.735 -4.606 1.00 0.00 H new ATOM 387 N HIS A 26 83.622 -13.321 0.301 1.00 0.00 N ATOM 388 CA HIS A 26 84.787 -12.442 0.272 1.00 0.00 C ATOM 389 C HIS A 26 85.937 -13.104 -0.482 1.00 0.00 C ATOM 390 O HIS A 26 86.454 -14.140 -0.062 1.00 0.00 O ATOM 391 CB HIS A 26 85.227 -12.099 1.702 1.00 0.00 C ATOM 392 CG HIS A 26 84.780 -13.182 2.646 1.00 0.00 C ATOM 393 ND1 HIS A 26 83.539 -13.158 3.262 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.396 -14.327 3.088 1.00 0.00 C ATOM 395 CE1 HIS A 26 83.449 -14.255 4.035 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.554 -15.002 3.965 1.00 0.00 N ATOM 0 H HIS A 26 83.259 -13.517 1.234 1.00 0.00 H new ATOM 0 HA HIS A 26 84.513 -11.523 -0.246 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.311 -11.993 1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.801 -11.142 2.004 1.00 0.00 H new ATOM 0 HD2 HIS A 26 86.384 -14.654 2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 26 82.588 -14.502 4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 26 84.740 -15.879 4.451 1.00 0.00 H new ATOM 405 N LYS A 27 86.335 -12.493 -1.596 1.00 0.00 N ATOM 406 CA LYS A 27 87.430 -13.023 -2.408 1.00 0.00 C ATOM 407 C LYS A 27 88.582 -12.025 -2.461 1.00 0.00 C ATOM 408 O LYS A 27 88.368 -10.825 -2.633 1.00 0.00 O ATOM 409 CB LYS A 27 86.942 -13.310 -3.833 1.00 0.00 C ATOM 410 CG LYS A 27 85.897 -14.437 -3.817 1.00 0.00 C ATOM 411 CD LYS A 27 86.033 -15.295 -5.081 1.00 0.00 C ATOM 412 CE LYS A 27 85.692 -14.456 -6.314 1.00 0.00 C ATOM 413 NZ LYS A 27 86.007 -15.236 -7.545 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.918 -11.635 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 27 87.778 -13.950 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.509 -12.408 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.784 -13.594 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.032 -15.057 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.894 -14.014 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.049 -15.681 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.368 -16.157 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.636 -14.184 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 86.261 -13.526 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.776 -14.668 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.019 -15.474 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.446 -16.111 -7.554 1.00 0.00 H new ATOM 427 N THR A 28 89.804 -12.529 -2.310 1.00 0.00 N ATOM 428 CA THR A 28 90.983 -11.670 -2.343 1.00 0.00 C ATOM 429 C THR A 28 90.722 -10.378 -1.572 1.00 0.00 C ATOM 430 O THR A 28 91.315 -9.338 -1.858 1.00 0.00 O ATOM 431 CB THR A 28 91.347 -11.344 -3.795 1.00 0.00 C ATOM 432 OG1 THR A 28 91.227 -12.521 -4.584 1.00 0.00 O ATOM 433 CG2 THR A 28 92.785 -10.823 -3.874 1.00 0.00 C ATOM 0 H THR A 28 90.002 -13.519 -2.165 1.00 0.00 H new ATOM 0 HA THR A 28 91.813 -12.197 -1.872 1.00 0.00 H new ATOM 0 HB THR A 28 90.670 -10.576 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.457 -12.316 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.033 -10.595 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.878 -9.920 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.469 -11.583 -3.497 1.00 0.00 H new ATOM 441 N GLY A 29 89.828 -10.457 -0.594 1.00 0.00 N ATOM 442 CA GLY A 29 89.489 -9.294 0.217 1.00 0.00 C ATOM 443 C GLY A 29 88.158 -9.506 0.933 1.00 0.00 C ATOM 444 O GLY A 29 87.350 -10.337 0.521 1.00 0.00 O ATOM 0 H GLY A 29 89.327 -11.309 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.276 -9.112 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.431 -8.408 -0.415 1.00 0.00 H new ATOM 448 N PRO A 30 87.918 -8.776 1.990 1.00 0.00 N ATOM 449 CA PRO A 30 86.655 -8.891 2.779 1.00 0.00 C ATOM 450 C PRO A 30 85.450 -8.340 2.019 1.00 0.00 C ATOM 451 O PRO A 30 85.592 -7.775 0.934 1.00 0.00 O ATOM 452 CB PRO A 30 86.939 -8.064 4.038 1.00 0.00 C ATOM 453 CG PRO A 30 87.982 -7.075 3.629 1.00 0.00 C ATOM 454 CD PRO A 30 88.823 -7.759 2.551 1.00 0.00 C ATOM 0 HA PRO A 30 86.398 -9.928 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.038 -7.563 4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.293 -8.696 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.524 -6.164 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.600 -6.787 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.150 -7.051 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.721 -8.211 2.972 1.00 0.00 H new ATOM 462 N ASN A 31 84.266 -8.505 2.601 1.00 0.00 N ATOM 463 CA ASN A 31 83.039 -8.018 1.981 1.00 0.00 C ATOM 464 C ASN A 31 82.670 -6.658 2.561 1.00 0.00 C ATOM 465 O ASN A 31 83.191 -6.264 3.602 1.00 0.00 O ATOM 466 CB ASN A 31 81.899 -9.007 2.232 1.00 0.00 C ATOM 467 CG ASN A 31 81.491 -8.974 3.702 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.606 -8.209 4.085 1.00 0.00 O ATOM 469 ND2 ASN A 31 82.086 -9.766 4.552 1.00 0.00 N ATOM 0 H ASN A 31 84.131 -8.971 3.498 1.00 0.00 H new ATOM 0 HA ASN A 31 83.201 -7.921 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 81.044 -8.756 1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.213 -10.014 1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.818 -9.752 5.536 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.819 -10.399 4.232 1.00 0.00 H new ATOM 476 N LEU A 32 81.770 -5.943 1.888 1.00 0.00 N ATOM 477 CA LEU A 32 81.344 -4.626 2.364 1.00 0.00 C ATOM 478 C LEU A 32 79.856 -4.642 2.716 1.00 0.00 C ATOM 479 O LEU A 32 79.153 -3.653 2.512 1.00 0.00 O ATOM 480 CB LEU A 32 81.595 -3.549 1.298 1.00 0.00 C ATOM 481 CG LEU A 32 83.011 -3.671 0.713 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.310 -2.439 -0.150 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.049 -3.754 1.840 1.00 0.00 C ATOM 0 H LEU A 32 81.326 -6.248 1.022 1.00 0.00 H new ATOM 0 HA LEU A 32 81.929 -4.390 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.859 -3.644 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.463 -2.560 1.737 1.00 0.00 H new ATOM 0 HG LEU A 32 83.066 -4.577 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.314 -2.522 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.584 -2.378 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.245 -1.540 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.047 -3.840 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.994 -2.854 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.844 -4.627 2.460 1.00 0.00 H new ATOM 495 N HIS A 33 79.386 -5.766 3.248 1.00 0.00 N ATOM 496 CA HIS A 33 77.980 -5.888 3.628 1.00 0.00 C ATOM 497 C HIS A 33 77.660 -4.928 4.771 1.00 0.00 C ATOM 498 O HIS A 33 78.483 -4.722 5.662 1.00 0.00 O ATOM 499 CB HIS A 33 77.675 -7.322 4.069 1.00 0.00 C ATOM 500 CG HIS A 33 77.994 -8.277 2.950 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.296 -9.609 3.184 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.057 -8.111 1.588 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.525 -10.188 1.992 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.393 -9.320 0.986 1.00 0.00 N ATOM 0 H HIS A 33 79.950 -6.598 3.425 1.00 0.00 H new ATOM 0 HA HIS A 33 77.365 -5.638 2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.262 -7.573 4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.625 -7.411 4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.874 -7.184 1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.784 -11.229 1.864 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.513 -9.504 -0.010 1.00 0.00 H new ATOM 513 N GLY A 34 76.464 -4.341 4.739 1.00 0.00 N ATOM 514 CA GLY A 34 76.059 -3.400 5.784 1.00 0.00 C ATOM 515 C GLY A 34 77.246 -2.555 6.233 1.00 0.00 C ATOM 516 O GLY A 34 77.329 -2.134 7.387 1.00 0.00 O ATOM 0 H GLY A 34 75.766 -4.497 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.265 -2.753 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.652 -3.946 6.635 1.00 0.00 H new ATOM 520 N LEU A 35 78.166 -2.328 5.305 1.00 0.00 N ATOM 521 CA LEU A 35 79.366 -1.549 5.585 1.00 0.00 C ATOM 522 C LEU A 35 79.022 -0.243 6.302 1.00 0.00 C ATOM 523 O LEU A 35 79.515 0.031 7.395 1.00 0.00 O ATOM 524 CB LEU A 35 80.073 -1.242 4.255 1.00 0.00 C ATOM 525 CG LEU A 35 81.276 -0.308 4.476 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.538 -1.139 4.716 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.481 0.566 3.235 1.00 0.00 C ATOM 0 H LEU A 35 78.104 -2.674 4.347 1.00 0.00 H new ATOM 0 HA LEU A 35 80.020 -2.126 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.408 -2.171 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.370 -0.778 3.563 1.00 0.00 H new ATOM 0 HG LEU A 35 81.083 0.323 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.387 -0.474 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.400 -1.764 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.727 -1.772 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.333 1.227 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.670 -0.069 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.586 1.163 3.059 1.00 0.00 H new ATOM 539 N PHE A 36 78.186 0.563 5.672 1.00 0.00 N ATOM 540 CA PHE A 36 77.798 1.848 6.245 1.00 0.00 C ATOM 541 C PHE A 36 77.234 1.686 7.657 1.00 0.00 C ATOM 542 O PHE A 36 76.032 1.482 7.831 1.00 0.00 O ATOM 543 CB PHE A 36 76.754 2.524 5.349 1.00 0.00 C ATOM 544 CG PHE A 36 77.208 2.471 3.906 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.016 1.305 3.151 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.827 3.585 3.321 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.443 1.254 1.819 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.253 3.531 1.990 1.00 0.00 C ATOM 549 CZ PHE A 36 78.062 2.366 1.239 1.00 0.00 C ATOM 0 H PHE A 36 77.762 0.356 4.768 1.00 0.00 H new ATOM 0 HA PHE A 36 78.691 2.469 6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.791 2.025 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.612 3.560 5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.538 0.446 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.975 4.485 3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.294 0.355 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.730 4.390 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.393 2.325 0.212 1.00 0.00 H new ATOM 559 N GLY A 37 78.103 1.800 8.667 1.00 0.00 N ATOM 560 CA GLY A 37 77.657 1.687 10.057 1.00 0.00 C ATOM 561 C GLY A 37 78.621 0.874 10.925 1.00 0.00 C ATOM 562 O GLY A 37 78.669 1.061 12.140 1.00 0.00 O ATOM 0 H GLY A 37 79.102 1.968 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.547 2.685 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.672 1.221 10.081 1.00 0.00 H new ATOM 566 N ARG A 38 79.370 -0.038 10.313 1.00 0.00 N ATOM 567 CA ARG A 38 80.303 -0.875 11.076 1.00 0.00 C ATOM 568 C ARG A 38 81.658 -0.185 11.254 1.00 0.00 C ATOM 569 O ARG A 38 82.061 0.645 10.440 1.00 0.00 O ATOM 570 CB ARG A 38 80.497 -2.220 10.366 1.00 0.00 C ATOM 571 CG ARG A 38 79.540 -3.272 10.944 1.00 0.00 C ATOM 572 CD ARG A 38 79.880 -4.658 10.374 1.00 0.00 C ATOM 573 NE ARG A 38 78.864 -5.066 9.407 1.00 0.00 N ATOM 574 CZ ARG A 38 79.160 -5.858 8.378 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.379 -6.298 8.209 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.225 -6.202 7.534 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.354 -0.218 9.309 1.00 0.00 H new ATOM 0 HA ARG A 38 79.874 -1.039 12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.317 -2.104 9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.528 -2.554 10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.617 -3.288 12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.510 -3.012 10.701 1.00 0.00 H new ATOM 0 HD2 ARG A 38 80.859 -4.633 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.938 -5.388 11.182 1.00 0.00 H new ATOM 0 HE ARG A 38 77.906 -4.737 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.112 -6.035 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 38 80.597 -6.904 7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.271 -5.864 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 38 78.448 -6.808 6.745 1.00 0.00 H new ATOM 590 N LYS A 39 82.352 -0.543 12.336 1.00 0.00 N ATOM 591 CA LYS A 39 83.659 0.036 12.643 1.00 0.00 C ATOM 592 C LYS A 39 84.762 -0.594 11.788 1.00 0.00 C ATOM 593 O LYS A 39 84.634 -1.729 11.328 1.00 0.00 O ATOM 594 CB LYS A 39 83.973 -0.172 14.130 1.00 0.00 C ATOM 595 CG LYS A 39 85.176 0.696 14.550 1.00 0.00 C ATOM 596 CD LYS A 39 84.777 1.626 15.703 1.00 0.00 C ATOM 597 CE LYS A 39 84.319 0.798 16.912 1.00 0.00 C ATOM 598 NZ LYS A 39 82.849 0.957 17.096 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.029 -1.232 13.015 1.00 0.00 H new ATOM 0 HA LYS A 39 83.624 1.101 12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.102 0.086 14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.191 -1.223 14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 39 86.005 0.058 14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.524 1.285 13.701 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.622 2.256 15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 39 83.975 2.292 15.383 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.566 -0.253 16.761 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.846 1.123 17.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.665 1.527 17.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.445 1.434 16.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.410 0.021 17.206 1.00 0.00 H new ATOM 612 N THR A 40 85.843 0.159 11.578 1.00 0.00 N ATOM 613 CA THR A 40 86.969 -0.315 10.776 1.00 0.00 C ATOM 614 C THR A 40 87.438 -1.699 11.217 1.00 0.00 C ATOM 615 O THR A 40 87.437 -2.021 12.405 1.00 0.00 O ATOM 616 CB THR A 40 88.135 0.674 10.884 1.00 0.00 C ATOM 617 OG1 THR A 40 88.319 1.042 12.243 1.00 0.00 O ATOM 618 CG2 THR A 40 87.830 1.923 10.054 1.00 0.00 C ATOM 0 H THR A 40 85.961 1.100 11.953 1.00 0.00 H new ATOM 0 HA THR A 40 86.630 -0.387 9.742 1.00 0.00 H new ATOM 0 HB THR A 40 89.043 0.204 10.507 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.223 1.399 12.366 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.661 2.624 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.691 1.641 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.921 2.395 10.427 1.00 0.00 H new ATOM 626 N GLY A 41 87.853 -2.508 10.241 1.00 0.00 N ATOM 627 CA GLY A 41 88.345 -3.854 10.524 1.00 0.00 C ATOM 628 C GLY A 41 87.416 -4.601 11.471 1.00 0.00 C ATOM 629 O GLY A 41 87.859 -5.142 12.486 1.00 0.00 O ATOM 0 H GLY A 41 87.858 -2.255 9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.440 -4.411 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.341 -3.794 10.962 1.00 0.00 H new ATOM 633 N GLN A 42 86.130 -4.624 11.142 1.00 0.00 N ATOM 634 CA GLN A 42 85.148 -5.307 11.985 1.00 0.00 C ATOM 635 C GLN A 42 84.543 -6.512 11.269 1.00 0.00 C ATOM 636 O GLN A 42 83.979 -7.401 11.906 1.00 0.00 O ATOM 637 CB GLN A 42 84.030 -4.340 12.377 1.00 0.00 C ATOM 638 CG GLN A 42 82.999 -5.075 13.240 1.00 0.00 C ATOM 639 CD GLN A 42 82.172 -4.072 14.038 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.069 -4.182 15.259 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.570 -3.095 13.415 1.00 0.00 N ATOM 0 H GLN A 42 85.743 -4.184 10.307 1.00 0.00 H new ATOM 0 HA GLN A 42 85.665 -5.658 12.878 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.443 -3.494 12.926 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.552 -3.938 11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.345 -5.675 12.607 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.505 -5.762 13.918 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.657 -3.006 12.403 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.013 -2.421 13.941 1.00 0.00 H new ATOM 701 N THR A 47 91.886 -11.245 7.189 1.00 0.00 N ATOM 702 CA THR A 47 92.791 -10.817 8.250 1.00 0.00 C ATOM 703 C THR A 47 93.034 -9.314 8.167 1.00 0.00 C ATOM 704 O THR A 47 94.013 -8.864 7.571 1.00 0.00 O ATOM 705 CB THR A 47 94.122 -11.564 8.134 1.00 0.00 C ATOM 706 OG1 THR A 47 93.872 -12.959 8.031 1.00 0.00 O ATOM 707 CG2 THR A 47 94.977 -11.288 9.373 1.00 0.00 C ATOM 0 HA THR A 47 92.333 -11.046 9.212 1.00 0.00 H new ATOM 0 HB THR A 47 94.654 -11.222 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.020 -13.105 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.924 -11.821 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.169 -10.218 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.448 -11.628 10.263 1.00 0.00 H new ATOM 715 N TYR A 48 92.131 -8.543 8.764 1.00 0.00 N ATOM 716 CA TYR A 48 92.247 -7.089 8.751 1.00 0.00 C ATOM 717 C TYR A 48 93.576 -6.643 9.352 1.00 0.00 C ATOM 718 O TYR A 48 94.162 -7.339 10.180 1.00 0.00 O ATOM 719 CB TYR A 48 91.089 -6.470 9.542 1.00 0.00 C ATOM 720 CG TYR A 48 89.916 -6.243 8.624 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.940 -5.175 7.722 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.807 -7.095 8.674 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.855 -4.955 6.870 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.721 -6.875 7.822 1.00 0.00 C ATOM 725 CZ TYR A 48 87.743 -5.805 6.921 1.00 0.00 C ATOM 726 OH TYR A 48 86.668 -5.590 6.085 1.00 0.00 O ATOM 0 H TYR A 48 91.314 -8.899 9.261 1.00 0.00 H new ATOM 0 HA TYR A 48 92.206 -6.750 7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.801 -7.129 10.361 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.403 -5.526 9.988 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.798 -4.520 7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.790 -7.921 9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.874 -4.130 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.864 -7.532 7.859 1.00 0.00 H new ATOM 0 HH TYR A 48 85.984 -6.272 6.250 1.00 0.00 H new ATOM 736 N THR A 49 94.041 -5.473 8.926 1.00 0.00 N ATOM 737 CA THR A 49 95.299 -4.931 9.426 1.00 0.00 C ATOM 738 C THR A 49 95.074 -4.208 10.749 1.00 0.00 C ATOM 739 O THR A 49 93.985 -3.700 11.010 1.00 0.00 O ATOM 740 CB THR A 49 95.892 -3.958 8.406 1.00 0.00 C ATOM 741 OG1 THR A 49 94.986 -2.882 8.200 1.00 0.00 O ATOM 742 CG2 THR A 49 96.135 -4.685 7.081 1.00 0.00 C ATOM 0 H THR A 49 93.569 -4.885 8.240 1.00 0.00 H new ATOM 0 HA THR A 49 95.994 -5.756 9.584 1.00 0.00 H new ATOM 0 HB THR A 49 96.839 -3.571 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.463 -2.031 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.558 -3.989 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.830 -5.509 7.240 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.191 -5.075 6.701 1.00 0.00 H new ATOM 750 N ASP A 50 96.109 -4.166 11.581 1.00 0.00 N ATOM 751 CA ASP A 50 96.009 -3.500 12.875 1.00 0.00 C ATOM 752 C ASP A 50 95.367 -2.126 12.723 1.00 0.00 C ATOM 753 O ASP A 50 94.505 -1.741 13.514 1.00 0.00 O ATOM 754 CB ASP A 50 97.400 -3.350 13.495 1.00 0.00 C ATOM 755 CG ASP A 50 98.058 -4.718 13.639 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.335 -5.687 13.800 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.275 -4.776 13.586 1.00 0.00 O1- ATOM 0 H ASP A 50 97.020 -4.581 11.385 1.00 0.00 H new ATOM 0 HA ASP A 50 95.384 -4.110 13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.018 -2.704 12.871 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.322 -2.870 14.471 1.00 0.00 H new ATOM 762 N ALA A 51 95.792 -1.388 11.703 1.00 0.00 N ATOM 763 CA ALA A 51 95.251 -0.056 11.459 1.00 0.00 C ATOM 764 C ALA A 51 93.731 -0.107 11.351 1.00 0.00 C ATOM 765 O ALA A 51 93.036 0.762 11.873 1.00 0.00 O ATOM 766 CB ALA A 51 95.840 0.520 10.174 1.00 0.00 C ATOM 0 H ALA A 51 96.504 -1.687 11.037 1.00 0.00 H new ATOM 0 HA ALA A 51 95.521 0.585 12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.430 1.515 10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.924 0.585 10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.587 -0.128 9.335 1.00 0.00 H new ATOM 772 N ASN A 52 93.223 -1.132 10.679 1.00 0.00 N ATOM 773 CA ASN A 52 91.780 -1.287 10.521 1.00 0.00 C ATOM 774 C ASN A 52 91.182 -1.897 11.784 1.00 0.00 C ATOM 775 O ASN A 52 90.008 -1.696 12.093 1.00 0.00 O ATOM 776 CB ASN A 52 91.480 -2.190 9.319 1.00 0.00 C ATOM 777 CG ASN A 52 91.467 -1.373 8.031 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.141 -0.348 7.936 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.733 -1.773 7.029 1.00 0.00 N ATOM 0 H ASN A 52 93.781 -1.863 10.238 1.00 0.00 H new ATOM 0 HA ASN A 52 91.335 -0.306 10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.231 -2.977 9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.516 -2.680 9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.716 -1.235 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.176 -2.623 7.112 1.00 0.00 H new ATOM 786 N LYS A 53 92.008 -2.637 12.515 1.00 0.00 N ATOM 787 CA LYS A 53 91.571 -3.271 13.750 1.00 0.00 C ATOM 788 C LYS A 53 91.704 -2.281 14.898 1.00 0.00 C ATOM 789 O LYS A 53 91.207 -2.511 16.001 1.00 0.00 O ATOM 790 CB LYS A 53 92.412 -4.542 13.999 1.00 0.00 C ATOM 791 CG LYS A 53 93.082 -4.504 15.380 1.00 0.00 C ATOM 792 CD LYS A 53 93.914 -5.775 15.575 1.00 0.00 C ATOM 793 CE LYS A 53 94.811 -5.613 16.803 1.00 0.00 C ATOM 794 NZ LYS A 53 95.903 -4.647 16.494 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.983 -2.812 12.273 1.00 0.00 H new ATOM 0 HA LYS A 53 90.524 -3.566 13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.774 -5.423 13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.174 -4.634 13.225 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.718 -3.623 15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 92.326 -4.427 16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.258 -6.636 15.702 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.521 -5.964 14.690 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.225 -5.258 17.651 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.233 -6.577 17.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 96.719 -4.837 17.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.188 -4.752 15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.565 -3.677 16.656 1.00 0.00 H new ATOM 808 N ASN A 54 92.378 -1.171 14.623 1.00 0.00 N ATOM 809 CA ASN A 54 92.573 -0.141 15.629 1.00 0.00 C ATOM 810 C ASN A 54 91.238 0.479 16.011 1.00 0.00 C ATOM 811 O ASN A 54 91.102 1.098 17.066 1.00 0.00 O ATOM 812 CB ASN A 54 93.504 0.940 15.078 1.00 0.00 C ATOM 813 CG ASN A 54 92.708 2.011 14.331 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.005 3.199 14.448 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.712 1.659 13.566 1.00 0.00 N ATOM 0 H ASN A 54 92.796 -0.964 13.716 1.00 0.00 H new ATOM 0 HA ASN A 54 93.019 -0.590 16.516 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.061 1.398 15.895 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.235 0.489 14.407 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.179 2.369 13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.466 0.674 13.470 1.00 0.00 H new ATOM 822 N LYS A 55 90.256 0.301 15.141 1.00 0.00 N ATOM 823 CA LYS A 55 88.923 0.844 15.391 1.00 0.00 C ATOM 824 C LYS A 55 89.006 2.341 15.674 1.00 0.00 C ATOM 825 O LYS A 55 88.697 2.790 16.777 1.00 0.00 O ATOM 826 CB LYS A 55 88.289 0.137 16.592 1.00 0.00 C ATOM 827 CG LYS A 55 88.219 -1.373 16.331 1.00 0.00 C ATOM 828 CD LYS A 55 88.234 -2.127 17.663 1.00 0.00 C ATOM 829 CE LYS A 55 88.197 -3.634 17.401 1.00 0.00 C ATOM 830 NZ LYS A 55 88.607 -4.362 18.635 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.351 -0.209 14.263 1.00 0.00 H new ATOM 0 HA LYS A 55 88.310 0.680 14.505 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.874 0.333 17.491 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.288 0.531 16.771 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.313 -1.614 15.775 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.063 -1.685 15.716 1.00 0.00 H new ATOM 0 HD2 LYS A 55 89.129 -1.868 18.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 87.377 -1.832 18.269 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.193 -3.938 17.103 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.865 -3.887 16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.582 -5.387 18.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.572 -4.080 18.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.953 -4.129 19.409 1.00 0.00 H new ATOM 844 N GLY A 56 89.436 3.108 14.676 1.00 0.00 N ATOM 845 CA GLY A 56 89.569 4.554 14.840 1.00 0.00 C ATOM 846 C GLY A 56 88.315 5.290 14.380 1.00 0.00 C ATOM 847 O GLY A 56 87.922 6.292 14.978 1.00 0.00 O ATOM 0 H GLY A 56 89.696 2.758 13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.764 4.785 15.887 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.428 4.908 14.270 1.00 0.00 H new ATOM 851 N ILE A 57 87.691 4.796 13.316 1.00 0.00 N ATOM 852 CA ILE A 57 86.484 5.430 12.789 1.00 0.00 C ATOM 853 C ILE A 57 85.496 4.383 12.295 1.00 0.00 C ATOM 854 O ILE A 57 85.749 3.182 12.390 1.00 0.00 O ATOM 855 CB ILE A 57 86.847 6.378 11.642 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.442 5.576 10.468 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.877 7.395 12.139 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.350 5.238 9.444 1.00 0.00 C ATOM 0 H ILE A 57 87.995 3.967 12.805 1.00 0.00 H new ATOM 0 HA ILE A 57 86.017 5.998 13.594 1.00 0.00 H new ATOM 0 HB ILE A 57 85.950 6.896 11.302 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.233 6.153 9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.898 4.658 10.840 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.140 8.073 11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.455 7.966 12.966 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.771 6.871 12.478 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.786 4.672 8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.573 4.642 9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.914 6.160 9.059 1.00 0.00 H new ATOM 870 N THR A 58 84.367 4.848 11.765 1.00 0.00 N ATOM 871 CA THR A 58 83.336 3.947 11.257 1.00 0.00 C ATOM 872 C THR A 58 83.012 4.259 9.799 1.00 0.00 C ATOM 873 O THR A 58 82.951 5.421 9.400 1.00 0.00 O ATOM 874 CB THR A 58 82.068 4.073 12.109 1.00 0.00 C ATOM 875 OG1 THR A 58 82.226 3.316 13.302 1.00 0.00 O ATOM 876 CG2 THR A 58 80.857 3.549 11.330 1.00 0.00 C ATOM 0 H THR A 58 84.144 5.839 11.676 1.00 0.00 H new ATOM 0 HA THR A 58 83.713 2.926 11.316 1.00 0.00 H new ATOM 0 HB THR A 58 81.906 5.122 12.356 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.417 3.396 13.850 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.961 3.643 11.944 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.733 4.130 10.416 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.014 2.501 11.075 1.00 0.00 H new ATOM 884 N TRP A 59 82.796 3.208 9.015 1.00 0.00 N ATOM 885 CA TRP A 59 82.467 3.374 7.605 1.00 0.00 C ATOM 886 C TRP A 59 81.144 4.119 7.453 1.00 0.00 C ATOM 887 O TRP A 59 80.180 3.849 8.168 1.00 0.00 O ATOM 888 CB TRP A 59 82.359 2.006 6.922 1.00 0.00 C ATOM 889 CG TRP A 59 83.474 1.115 7.375 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.767 1.490 7.500 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.420 -0.293 7.760 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.507 0.404 7.934 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.720 -0.715 8.117 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.379 -1.234 7.837 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.977 -2.022 8.536 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.636 -2.551 8.255 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.930 -2.942 8.605 1.00 0.00 C ATOM 0 H TRP A 59 82.842 2.239 9.330 1.00 0.00 H new ATOM 0 HA TRP A 59 83.262 3.952 7.134 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.398 1.548 7.158 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.397 2.127 5.839 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.158 2.476 7.295 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.513 0.428 8.099 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.373 -0.943 7.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.980 -2.319 8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.827 -3.265 8.306 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.120 -3.955 8.929 1.00 0.00 H new ATOM 908 N LYS A 60 81.110 5.051 6.510 1.00 0.00 N ATOM 909 CA LYS A 60 79.906 5.834 6.253 1.00 0.00 C ATOM 910 C LYS A 60 79.887 6.272 4.795 1.00 0.00 C ATOM 911 O LYS A 60 80.640 5.745 3.980 1.00 0.00 O ATOM 912 CB LYS A 60 79.866 7.062 7.170 1.00 0.00 C ATOM 913 CG LYS A 60 79.723 6.612 8.628 1.00 0.00 C ATOM 914 CD LYS A 60 79.260 7.791 9.492 1.00 0.00 C ATOM 915 CE LYS A 60 80.428 8.753 9.716 1.00 0.00 C ATOM 916 NZ LYS A 60 80.002 9.845 10.635 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.901 5.284 5.910 1.00 0.00 H new ATOM 0 HA LYS A 60 79.030 5.219 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.776 7.649 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 60 79.031 7.707 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 60 79.005 5.795 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.676 6.232 8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.436 8.311 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.886 7.428 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.278 8.218 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.756 9.171 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.796 10.500 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.203 10.361 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.709 9.438 11.546 1.00 0.00 H new ATOM 930 N GLU A 61 79.031 7.232 4.465 1.00 0.00 N ATOM 931 CA GLU A 61 78.949 7.712 3.091 1.00 0.00 C ATOM 932 C GLU A 61 80.125 8.631 2.772 1.00 0.00 C ATOM 933 O GLU A 61 80.900 8.368 1.851 1.00 0.00 O ATOM 934 CB GLU A 61 77.635 8.469 2.882 1.00 0.00 C ATOM 935 CG GLU A 61 77.532 8.921 1.424 1.00 0.00 C ATOM 936 CD GLU A 61 76.152 9.514 1.159 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.716 10.329 1.954 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.551 9.144 0.162 1.00 0.00 O1- ATOM 0 H GLU A 61 78.393 7.687 5.118 1.00 0.00 H new ATOM 0 HA GLU A 61 78.984 6.852 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.790 7.829 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.591 9.333 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.303 9.661 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.708 8.075 0.759 1.00 0.00 H new ATOM 945 N GLU A 62 80.255 9.708 3.540 1.00 0.00 N ATOM 946 CA GLU A 62 81.340 10.659 3.325 1.00 0.00 C ATOM 947 C GLU A 62 82.684 10.038 3.690 1.00 0.00 C ATOM 948 O GLU A 62 83.678 10.237 2.992 1.00 0.00 O ATOM 949 CB GLU A 62 81.109 11.917 4.165 1.00 0.00 C ATOM 950 CG GLU A 62 79.844 12.629 3.679 1.00 0.00 C ATOM 951 CD GLU A 62 80.097 13.270 2.319 1.00 0.00 C ATOM 952 OE1 GLU A 62 81.009 14.074 2.225 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 79.374 12.946 1.390 1.00 0.00 O ATOM 0 H GLU A 62 79.629 9.943 4.310 1.00 0.00 H new ATOM 0 HA GLU A 62 81.355 10.927 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.008 11.651 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.968 12.583 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.021 11.918 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.546 13.391 4.399 1.00 0.00 H new ATOM 960 N THR A 63 82.711 9.280 4.779 1.00 0.00 N ATOM 961 CA THR A 63 83.946 8.637 5.206 1.00 0.00 C ATOM 962 C THR A 63 84.492 7.773 4.083 1.00 0.00 C ATOM 963 O THR A 63 85.703 7.684 3.881 1.00 0.00 O ATOM 964 CB THR A 63 83.694 7.765 6.435 1.00 0.00 C ATOM 965 OG1 THR A 63 82.749 6.756 6.110 1.00 0.00 O ATOM 966 CG2 THR A 63 83.151 8.626 7.572 1.00 0.00 C ATOM 0 H THR A 63 81.904 9.097 5.375 1.00 0.00 H new ATOM 0 HA THR A 63 84.670 9.411 5.459 1.00 0.00 H new ATOM 0 HB THR A 63 84.629 7.302 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.237 7.030 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.972 8.002 8.448 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.877 9.400 7.821 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.216 9.092 7.261 1.00 0.00 H new ATOM 974 N LEU A 64 83.585 7.140 3.350 1.00 0.00 N ATOM 975 CA LEU A 64 83.983 6.286 2.243 1.00 0.00 C ATOM 976 C LEU A 64 84.581 7.130 1.121 1.00 0.00 C ATOM 977 O LEU A 64 85.505 6.695 0.436 1.00 0.00 O ATOM 978 CB LEU A 64 82.775 5.506 1.711 1.00 0.00 C ATOM 979 CG LEU A 64 82.883 4.022 2.090 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.530 3.339 1.849 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.961 3.344 1.231 1.00 0.00 C ATOM 0 H LEU A 64 82.578 7.202 3.501 1.00 0.00 H new ATOM 0 HA LEU A 64 84.732 5.580 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.855 5.926 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.718 5.607 0.627 1.00 0.00 H new ATOM 0 HG LEU A 64 83.156 3.935 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.602 2.285 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.766 3.818 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.260 3.429 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.034 2.291 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.693 3.429 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.921 3.831 1.402 1.00 0.00 H new ATOM 993 N MET A 65 84.042 8.333 0.933 1.00 0.00 N ATOM 994 CA MET A 65 84.536 9.218 -0.120 1.00 0.00 C ATOM 995 C MET A 65 86.015 9.525 0.080 1.00 0.00 C ATOM 996 O MET A 65 86.835 9.268 -0.802 1.00 0.00 O ATOM 997 CB MET A 65 83.741 10.524 -0.133 1.00 0.00 C ATOM 998 CG MET A 65 82.282 10.222 -0.463 1.00 0.00 C ATOM 999 SD MET A 65 81.281 11.704 -0.180 1.00 0.00 S ATOM 1000 CE MET A 65 81.090 12.183 -1.912 1.00 0.00 C ATOM 0 H MET A 65 83.275 8.713 1.487 1.00 0.00 H new ATOM 0 HA MET A 65 84.408 8.708 -1.075 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.812 11.016 0.837 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.158 11.210 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.191 9.902 -1.501 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.920 9.402 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.733 13.211 -1.968 1.00 0.00 H new ATOM 0 HE2 MET A 65 82.051 12.104 -2.419 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.370 11.522 -2.395 1.00 0.00 H new ATOM 1010 N GLU A 66 86.357 10.067 1.243 1.00 0.00 N ATOM 1011 CA GLU A 66 87.748 10.389 1.535 1.00 0.00 C ATOM 1012 C GLU A 66 88.594 9.126 1.457 1.00 0.00 C ATOM 1013 O GLU A 66 89.775 9.171 1.114 1.00 0.00 O ATOM 1014 CB GLU A 66 87.863 11.005 2.931 1.00 0.00 C ATOM 1015 CG GLU A 66 86.943 12.225 3.028 1.00 0.00 C ATOM 1016 CD GLU A 66 87.255 13.013 4.295 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.394 13.419 4.450 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 86.349 13.201 5.090 1.00 0.00 O ATOM 0 H GLU A 66 85.700 10.290 1.990 1.00 0.00 H new ATOM 0 HA GLU A 66 88.108 11.110 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.591 10.270 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.895 11.298 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.075 12.861 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.901 11.905 3.036 1.00 0.00 H new ATOM 1025 N TYR A 67 87.971 7.997 1.769 1.00 0.00 N ATOM 1026 CA TYR A 67 88.654 6.712 1.726 1.00 0.00 C ATOM 1027 C TYR A 67 88.770 6.227 0.285 1.00 0.00 C ATOM 1028 O TYR A 67 89.693 5.496 -0.065 1.00 0.00 O ATOM 1029 CB TYR A 67 87.874 5.693 2.563 1.00 0.00 C ATOM 1030 CG TYR A 67 88.388 4.295 2.307 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.854 3.534 1.261 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.391 3.759 3.123 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.324 2.235 1.030 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.860 2.459 2.893 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.327 1.697 1.846 1.00 0.00 C ATOM 1036 OH TYR A 67 89.789 0.417 1.619 1.00 0.00 O ATOM 0 H TYR A 67 86.993 7.946 2.055 1.00 0.00 H new ATOM 0 HA TYR A 67 89.657 6.824 2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.969 5.934 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.813 5.748 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.080 3.948 0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.803 4.347 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.913 1.648 0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.633 2.044 3.523 1.00 0.00 H new ATOM 0 HH TYR A 67 89.936 0.288 0.659 1.00 0.00 H new ATOM 1046 N LEU A 68 87.819 6.645 -0.545 1.00 0.00 N ATOM 1047 CA LEU A 68 87.807 6.252 -1.950 1.00 0.00 C ATOM 1048 C LEU A 68 88.790 7.103 -2.754 1.00 0.00 C ATOM 1049 O LEU A 68 89.229 6.704 -3.832 1.00 0.00 O ATOM 1050 CB LEU A 68 86.389 6.412 -2.523 1.00 0.00 C ATOM 1051 CG LEU A 68 85.576 5.127 -2.305 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.130 5.358 -2.744 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.166 3.979 -3.126 1.00 0.00 C ATOM 0 H LEU A 68 87.049 7.254 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 68 88.111 5.208 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.888 7.253 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.443 6.639 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 68 85.610 4.867 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.553 4.446 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.696 6.166 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.109 5.626 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.580 3.075 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.143 4.239 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.197 3.804 -2.818 1.00 0.00 H new ATOM 1065 N GLU A 69 89.131 8.274 -2.224 1.00 0.00 N ATOM 1066 CA GLU A 69 90.063 9.170 -2.905 1.00 0.00 C ATOM 1067 C GLU A 69 91.489 8.921 -2.418 1.00 0.00 C ATOM 1068 O GLU A 69 92.453 9.437 -2.984 1.00 0.00 O ATOM 1069 CB GLU A 69 89.651 10.631 -2.655 1.00 0.00 C ATOM 1070 CG GLU A 69 90.377 11.202 -1.428 1.00 0.00 C ATOM 1071 CD GLU A 69 91.754 11.732 -1.823 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.048 11.744 -3.007 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 92.493 12.121 -0.934 1.00 0.00 O ATOM 0 H GLU A 69 88.780 8.624 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 69 90.031 8.974 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.883 11.234 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.573 10.689 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.784 12.004 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.482 10.428 -0.667 1.00 0.00 H new ATOM 1080 N ASN A 70 91.607 8.119 -1.365 1.00 0.00 N ATOM 1081 CA ASN A 70 92.910 7.791 -0.794 1.00 0.00 C ATOM 1082 C ASN A 70 92.749 6.758 0.322 1.00 0.00 C ATOM 1083 O ASN A 70 92.957 7.053 1.499 1.00 0.00 O ATOM 1084 CB ASN A 70 93.578 9.060 -0.244 1.00 0.00 C ATOM 1085 CG ASN A 70 95.097 8.927 -0.302 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.783 9.837 -0.768 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.666 7.843 0.145 1.00 0.00 N ATOM 0 H ASN A 70 90.817 7.684 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 70 93.542 7.370 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.260 9.927 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.260 9.230 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.681 7.748 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.096 7.090 0.531 1.00 0.00 H new ATOM 1094 N PRO A 71 92.369 5.561 -0.037 1.00 0.00 N ATOM 1095 CA PRO A 71 92.152 4.445 0.934 1.00 0.00 C ATOM 1096 C PRO A 71 93.303 4.272 1.927 1.00 0.00 C ATOM 1097 O PRO A 71 93.083 3.936 3.091 1.00 0.00 O ATOM 1098 CB PRO A 71 92.029 3.207 0.038 1.00 0.00 C ATOM 1099 CG PRO A 71 91.563 3.717 -1.287 1.00 0.00 C ATOM 1100 CD PRO A 71 92.103 5.141 -1.423 1.00 0.00 C ATOM 0 HA PRO A 71 91.279 4.631 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.986 2.693 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.321 2.491 0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.930 3.085 -2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.475 3.709 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.009 5.167 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.379 5.797 -1.906 1.00 0.00 H new ATOM 1108 N LYS A 72 94.527 4.476 1.456 1.00 0.00 N ATOM 1109 CA LYS A 72 95.701 4.306 2.307 1.00 0.00 C ATOM 1110 C LYS A 72 95.870 5.461 3.292 1.00 0.00 C ATOM 1111 O LYS A 72 96.111 5.242 4.480 1.00 0.00 O ATOM 1112 CB LYS A 72 96.957 4.203 1.439 1.00 0.00 C ATOM 1113 CG LYS A 72 98.171 3.846 2.316 1.00 0.00 C ATOM 1114 CD LYS A 72 98.735 2.478 1.908 1.00 0.00 C ATOM 1115 CE LYS A 72 97.773 1.367 2.340 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.477 1.502 3.795 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.733 4.757 0.497 1.00 0.00 H new ATOM 0 HA LYS A 72 95.556 3.391 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.817 3.444 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.133 5.148 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.941 4.611 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.878 3.828 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.883 2.443 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.711 2.325 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.850 1.426 1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.213 0.391 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.041 0.624 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.361 1.680 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.822 2.296 3.944 1.00 0.00 H new ATOM 1130 N LYS A 73 95.772 6.686 2.792 1.00 0.00 N ATOM 1131 CA LYS A 73 95.948 7.860 3.640 1.00 0.00 C ATOM 1132 C LYS A 73 94.869 7.951 4.718 1.00 0.00 C ATOM 1133 O LYS A 73 95.103 8.510 5.790 1.00 0.00 O ATOM 1134 CB LYS A 73 95.925 9.131 2.791 1.00 0.00 C ATOM 1135 CG LYS A 73 96.285 10.333 3.667 1.00 0.00 C ATOM 1136 CD LYS A 73 96.560 11.550 2.781 1.00 0.00 C ATOM 1137 CE LYS A 73 95.263 12.000 2.103 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.425 13.394 1.600 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.574 6.893 1.813 1.00 0.00 H new ATOM 0 HA LYS A 73 96.914 7.761 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.632 9.043 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.937 9.270 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 73 95.470 10.550 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.163 10.105 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 73 96.969 12.363 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 73 97.308 11.302 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.019 11.330 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.434 11.951 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.545 13.701 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.638 14.028 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.205 13.427 0.913 1.00 0.00 H new ATOM 1152 N TYR A 74 93.687 7.416 4.432 1.00 0.00 N ATOM 1153 CA TYR A 74 92.591 7.466 5.395 1.00 0.00 C ATOM 1154 C TYR A 74 92.916 6.629 6.630 1.00 0.00 C ATOM 1155 O TYR A 74 92.916 7.137 7.751 1.00 0.00 O ATOM 1156 CB TYR A 74 91.298 6.960 4.742 1.00 0.00 C ATOM 1157 CG TYR A 74 90.100 7.645 5.366 1.00 0.00 C ATOM 1158 CD1 TYR A 74 89.963 9.037 5.281 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.127 6.889 6.033 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.857 9.670 5.861 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.022 7.523 6.612 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.888 8.913 6.527 1.00 0.00 C ATOM 1163 OH TYR A 74 86.798 9.537 7.101 1.00 0.00 O ATOM 0 H TYR A 74 93.464 6.948 3.553 1.00 0.00 H new ATOM 0 HA TYR A 74 92.454 8.501 5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.322 7.156 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.216 5.880 4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.711 9.622 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.230 5.816 6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.752 10.743 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.272 6.939 7.125 1.00 0.00 H new ATOM 0 HH TYR A 74 86.221 8.866 7.522 1.00 0.00 H new ATOM 1173 N ILE A 75 93.198 5.347 6.415 1.00 0.00 N ATOM 1174 CA ILE A 75 93.533 4.446 7.518 1.00 0.00 C ATOM 1175 C ILE A 75 94.860 3.745 7.237 1.00 0.00 C ATOM 1176 O ILE A 75 94.893 2.547 6.952 1.00 0.00 O ATOM 1177 CB ILE A 75 92.420 3.405 7.699 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.078 4.125 7.863 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.699 2.562 8.948 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.931 3.140 7.630 1.00 0.00 C ATOM 0 H ILE A 75 93.202 4.909 5.494 1.00 0.00 H new ATOM 0 HA ILE A 75 93.628 5.029 8.434 1.00 0.00 H new ATOM 0 HB ILE A 75 92.386 2.755 6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.004 4.554 8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.009 4.952 7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.907 1.824 9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.656 2.052 8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.733 3.210 9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 75 88.978 3.656 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.001 2.732 6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.996 2.328 8.355 1.00 0.00 H new ATOM 1192 N PRO A 76 95.946 4.474 7.301 1.00 0.00 N ATOM 1193 CA PRO A 76 97.306 3.925 7.040 1.00 0.00 C ATOM 1194 C PRO A 76 97.491 2.528 7.623 1.00 0.00 C ATOM 1195 O PRO A 76 97.293 2.312 8.816 1.00 0.00 O ATOM 1196 CB PRO A 76 98.226 4.939 7.719 1.00 0.00 C ATOM 1197 CG PRO A 76 97.496 6.240 7.630 1.00 0.00 C ATOM 1198 CD PRO A 76 95.998 5.909 7.635 1.00 0.00 C ATOM 0 HA PRO A 76 97.507 3.802 5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.419 4.665 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.193 4.993 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.752 6.885 8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.770 6.776 6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.549 6.108 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.455 6.508 6.904 1.00 0.00 H new ATOM 1206 N GLY A 77 97.874 1.586 6.765 1.00 0.00 N ATOM 1207 CA GLY A 77 98.087 0.206 7.193 1.00 0.00 C ATOM 1208 C GLY A 77 97.100 -0.731 6.505 1.00 0.00 C ATOM 1209 O GLY A 77 97.377 -1.917 6.329 1.00 0.00 O ATOM 0 H GLY A 77 98.043 1.752 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.107 -0.099 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.971 0.134 8.274 1.00 0.00 H new ATOM 1213 N THR A 78 95.951 -0.189 6.115 1.00 0.00 N ATOM 1214 CA THR A 78 94.933 -0.986 5.442 1.00 0.00 C ATOM 1215 C THR A 78 95.521 -1.663 4.210 1.00 0.00 C ATOM 1216 O THR A 78 96.254 -1.041 3.440 1.00 0.00 O ATOM 1217 CB THR A 78 93.760 -0.098 5.032 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.794 -0.879 4.341 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.266 1.015 4.121 1.00 0.00 C ATOM 0 H THR A 78 95.703 0.791 6.252 1.00 0.00 H new ATOM 0 HA THR A 78 94.579 -1.752 6.131 1.00 0.00 H new ATOM 0 HB THR A 78 93.302 0.339 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.040 -0.310 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.432 1.651 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.007 1.612 4.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.722 0.579 3.232 1.00 0.00 H new ATOM 1227 N LYS A 79 95.203 -2.940 4.030 1.00 0.00 N ATOM 1228 CA LYS A 79 95.716 -3.689 2.887 1.00 0.00 C ATOM 1229 C LYS A 79 94.853 -3.449 1.647 1.00 0.00 C ATOM 1230 O LYS A 79 93.873 -4.155 1.413 1.00 0.00 O ATOM 1231 CB LYS A 79 95.754 -5.189 3.226 1.00 0.00 C ATOM 1232 CG LYS A 79 97.134 -5.770 2.889 1.00 0.00 C ATOM 1233 CD LYS A 79 98.203 -5.161 3.813 1.00 0.00 C ATOM 1234 CE LYS A 79 99.122 -6.266 4.340 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.352 -7.156 5.255 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.598 -3.475 4.654 1.00 0.00 H new ATOM 0 HA LYS A 79 96.726 -3.343 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.537 -5.336 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.982 -5.716 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.119 -6.854 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.381 -5.562 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.787 -4.418 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.726 -4.644 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.528 -6.844 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.969 -5.829 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 98.928 -7.374 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.478 -6.677 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.113 -8.039 4.760 1.00 0.00 H new ATOM 1249 N MET A 80 95.229 -2.449 0.854 1.00 0.00 N ATOM 1250 CA MET A 80 94.487 -2.126 -0.362 1.00 0.00 C ATOM 1251 C MET A 80 95.183 -1.010 -1.139 1.00 0.00 C ATOM 1252 O MET A 80 94.988 0.171 -0.855 1.00 0.00 O ATOM 1253 CB MET A 80 93.059 -1.695 -0.011 1.00 0.00 C ATOM 1254 CG MET A 80 92.367 -1.141 -1.262 1.00 0.00 C ATOM 1255 SD MET A 80 90.578 -1.064 -0.987 1.00 0.00 S ATOM 1256 CE MET A 80 90.204 0.189 -2.239 1.00 0.00 C ATOM 0 H MET A 80 96.037 -1.852 1.029 1.00 0.00 H new ATOM 0 HA MET A 80 94.451 -3.019 -0.986 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.498 -2.543 0.381 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.079 -0.937 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.752 -0.148 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.586 -1.775 -2.121 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.178 0.062 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.320 1.182 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.888 0.078 -3.080 1.00 0.00 H new ATOM 1266 N ILE A 81 95.993 -1.398 -2.121 1.00 0.00 N ATOM 1267 CA ILE A 81 96.714 -0.429 -2.945 1.00 0.00 C ATOM 1268 C ILE A 81 96.438 -0.686 -4.424 1.00 0.00 C ATOM 1269 O ILE A 81 97.058 -1.554 -5.038 1.00 0.00 O ATOM 1270 CB ILE A 81 98.221 -0.529 -2.679 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.536 -0.008 -1.269 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.978 0.315 -3.707 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.093 -1.027 -0.210 1.00 0.00 C ATOM 0 H ILE A 81 96.167 -2.373 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 81 96.369 0.572 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 81 98.530 -1.571 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.605 0.182 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.028 0.942 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 81 100.049 0.244 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.761 -0.053 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.663 1.355 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.323 -0.643 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.019 -1.196 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.621 -1.967 -0.367 1.00 0.00 H new ATOM 1285 N PHE A 82 95.503 0.073 -4.991 1.00 0.00 N ATOM 1286 CA PHE A 82 95.150 -0.081 -6.401 1.00 0.00 C ATOM 1287 C PHE A 82 95.106 1.279 -7.093 1.00 0.00 C ATOM 1288 O PHE A 82 95.989 1.614 -7.882 1.00 0.00 O ATOM 1289 CB PHE A 82 93.786 -0.764 -6.525 1.00 0.00 C ATOM 1290 CG PHE A 82 93.398 -0.854 -7.982 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.998 -1.811 -8.810 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.437 0.020 -8.506 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.638 -1.894 -10.160 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.077 -0.063 -9.856 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.678 -1.020 -10.683 1.00 0.00 C ATOM 0 H PHE A 82 94.979 0.797 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 82 95.910 -0.697 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.825 -1.761 -6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.034 -0.201 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.739 -2.485 -8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.974 0.758 -7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.101 -2.632 -10.798 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.336 0.611 -10.260 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.401 -1.084 -11.725 1.00 0.00 H new ATOM 1305 N ALA A 83 94.072 2.058 -6.791 1.00 0.00 N ATOM 1306 CA ALA A 83 93.924 3.380 -7.391 1.00 0.00 C ATOM 1307 C ALA A 83 92.706 4.095 -6.815 1.00 0.00 C ATOM 1308 O ALA A 83 91.599 3.556 -6.819 1.00 0.00 O ATOM 1309 CB ALA A 83 93.773 3.252 -8.908 1.00 0.00 C ATOM 0 H ALA A 83 93.330 1.800 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 83 94.816 3.964 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.663 4.243 -9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.657 2.767 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.891 2.654 -9.137 1.00 0.00 H new ATOM 1315 N GLY A 84 92.917 5.310 -6.323 1.00 0.00 N ATOM 1316 CA GLY A 84 91.828 6.089 -5.746 1.00 0.00 C ATOM 1317 C GLY A 84 90.924 6.649 -6.839 1.00 0.00 C ATOM 1318 O GLY A 84 91.146 6.409 -8.025 1.00 0.00 O ATOM 0 H GLY A 84 93.825 5.775 -6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.245 5.463 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.235 6.906 -5.151 1.00 0.00 H new ATOM 1322 N ILE A 85 89.902 7.397 -6.431 1.00 0.00 N ATOM 1323 CA ILE A 85 88.969 7.989 -7.386 1.00 0.00 C ATOM 1324 C ILE A 85 89.433 9.389 -7.782 1.00 0.00 C ATOM 1325 O ILE A 85 90.249 9.999 -7.092 1.00 0.00 O ATOM 1326 CB ILE A 85 87.572 8.055 -6.764 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.016 6.629 -6.591 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.639 8.872 -7.665 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.299 6.174 -7.867 1.00 0.00 C ATOM 0 H ILE A 85 89.700 7.607 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 85 88.935 7.369 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 85 87.635 8.537 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.829 5.941 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.325 6.602 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.646 8.915 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.032 9.883 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.574 8.400 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.913 5.164 -7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.473 6.852 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.001 6.181 -8.701 1.00 0.00 H new ATOM 1341 N LYS A 86 88.923 9.887 -8.908 1.00 0.00 N ATOM 1342 CA LYS A 86 89.310 11.209 -9.396 1.00 0.00 C ATOM 1343 C LYS A 86 88.274 12.273 -9.023 1.00 0.00 C ATOM 1344 O LYS A 86 88.541 13.148 -8.200 1.00 0.00 O ATOM 1345 CB LYS A 86 89.482 11.169 -10.923 1.00 0.00 C ATOM 1346 CG LYS A 86 89.763 9.731 -11.370 1.00 0.00 C ATOM 1347 CD LYS A 86 90.302 9.729 -12.807 1.00 0.00 C ATOM 1348 CE LYS A 86 91.828 9.850 -12.787 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.423 8.549 -12.367 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.246 9.399 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 86 90.254 11.477 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.582 11.543 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 86 90.302 11.821 -11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.487 9.267 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 86 88.850 9.138 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.007 8.811 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 86 89.869 10.557 -13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.195 10.128 -13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.132 10.640 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.407 8.495 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.402 8.476 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.875 7.767 -12.780 1.00 0.00 H new ATOM 1363 N LYS A 87 87.101 12.205 -9.651 1.00 0.00 N ATOM 1364 CA LYS A 87 86.044 13.183 -9.391 1.00 0.00 C ATOM 1365 C LYS A 87 85.191 12.783 -8.190 1.00 0.00 C ATOM 1366 O LYS A 87 85.205 11.632 -7.754 1.00 0.00 O ATOM 1367 CB LYS A 87 85.152 13.323 -10.628 1.00 0.00 C ATOM 1368 CG LYS A 87 86.021 13.597 -11.862 1.00 0.00 C ATOM 1369 CD LYS A 87 85.207 14.351 -12.918 1.00 0.00 C ATOM 1370 CE LYS A 87 84.088 13.451 -13.447 1.00 0.00 C ATOM 1371 NZ LYS A 87 84.681 12.230 -14.061 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.859 11.490 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 87 86.520 14.137 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.571 12.412 -10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.440 14.136 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.896 14.183 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.387 12.657 -12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.784 15.258 -12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.855 14.661 -13.738 1.00 0.00 H new ATOM 0 HE2 LYS A 87 83.416 13.173 -12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 87 83.492 13.989 -14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 84.023 11.842 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.580 12.475 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.855 11.519 -13.322 1.00 0.00 H new ATOM 1385 N LYS A 88 84.445 13.749 -7.661 1.00 0.00 N ATOM 1386 CA LYS A 88 83.582 13.494 -6.513 1.00 0.00 C ATOM 1387 C LYS A 88 82.408 12.609 -6.916 1.00 0.00 C ATOM 1388 O LYS A 88 82.146 11.590 -6.281 1.00 0.00 O ATOM 1389 CB LYS A 88 83.063 14.821 -5.943 1.00 0.00 C ATOM 1390 CG LYS A 88 81.952 14.562 -4.904 1.00 0.00 C ATOM 1391 CD LYS A 88 80.580 14.851 -5.526 1.00 0.00 C ATOM 1392 CE LYS A 88 79.493 14.702 -4.460 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.560 15.852 -3.515 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.421 14.708 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 88 84.163 12.978 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.882 15.370 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.677 15.445 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.996 13.528 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.105 15.194 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.562 15.859 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 88 80.391 14.164 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 88 78.511 14.662 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.626 13.765 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.671 15.913 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.353 15.715 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.702 16.733 -4.050 1.00 0.00 H new ATOM 1407 N THR A 89 81.703 13.000 -7.973 1.00 0.00 N ATOM 1408 CA THR A 89 80.561 12.219 -8.435 1.00 0.00 C ATOM 1409 C THR A 89 80.954 10.762 -8.623 1.00 0.00 C ATOM 1410 O THR A 89 80.117 9.868 -8.525 1.00 0.00 O ATOM 1411 CB THR A 89 80.030 12.771 -9.756 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.075 12.781 -10.720 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.507 14.193 -9.549 1.00 0.00 C ATOM 0 H THR A 89 81.898 13.840 -8.518 1.00 0.00 H new ATOM 0 HA THR A 89 79.780 12.288 -7.678 1.00 0.00 H new ATOM 0 HB THR A 89 79.216 12.139 -10.110 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.734 13.134 -11.568 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.129 14.583 -10.494 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.702 14.181 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.316 14.830 -9.191 1.00 0.00 H new ATOM 1421 N GLU A 90 82.234 10.524 -8.880 1.00 0.00 N ATOM 1422 CA GLU A 90 82.714 9.163 -9.059 1.00 0.00 C ATOM 1423 C GLU A 90 82.651 8.434 -7.725 1.00 0.00 C ATOM 1424 O GLU A 90 82.298 7.257 -7.662 1.00 0.00 O ATOM 1425 CB GLU A 90 84.150 9.169 -9.592 1.00 0.00 C ATOM 1426 CG GLU A 90 84.141 9.476 -11.091 1.00 0.00 C ATOM 1427 CD GLU A 90 85.567 9.682 -11.589 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.440 9.884 -10.762 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.766 9.632 -12.792 1.00 0.00 O ATOM 0 H GLU A 90 82.949 11.246 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 90 82.084 8.650 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.742 9.915 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.619 8.202 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.672 8.657 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.547 10.369 -11.284 1.00 0.00 H new ATOM 1436 N ARG A 91 82.973 9.155 -6.655 1.00 0.00 N ATOM 1437 CA ARG A 91 82.930 8.585 -5.318 1.00 0.00 C ATOM 1438 C ARG A 91 81.485 8.471 -4.853 1.00 0.00 C ATOM 1439 O ARG A 91 81.051 7.413 -4.403 1.00 0.00 O ATOM 1440 CB ARG A 91 83.708 9.473 -4.342 1.00 0.00 C ATOM 1441 CG ARG A 91 85.147 9.629 -4.831 1.00 0.00 C ATOM 1442 CD ARG A 91 86.013 10.233 -3.722 1.00 0.00 C ATOM 1443 NE ARG A 91 87.127 10.981 -4.305 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.054 12.293 -4.520 1.00 0.00 C ATOM 1445 NH1 ARG A 91 85.968 12.954 -4.224 1.00 0.00 N ATOM 1446 NH2 ARG A 91 88.074 12.922 -5.036 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.265 10.132 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 91 83.385 7.595 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.231 10.450 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.697 9.032 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.546 8.659 -5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.173 10.268 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.410 10.892 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.394 9.442 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 91 87.982 10.484 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 91 85.167 12.466 -3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 91 85.921 13.959 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.923 12.409 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.022 13.927 -5.202 1.00 0.00 H new ATOM 1460 N GLU A 92 80.741 9.567 -4.971 1.00 0.00 N ATOM 1461 CA GLU A 92 79.342 9.571 -4.563 1.00 0.00 C ATOM 1462 C GLU A 92 78.582 8.482 -5.312 1.00 0.00 C ATOM 1463 O GLU A 92 77.931 7.634 -4.700 1.00 0.00 O ATOM 1464 CB GLU A 92 78.714 10.940 -4.858 1.00 0.00 C ATOM 1465 CG GLU A 92 77.643 11.260 -3.810 1.00 0.00 C ATOM 1466 CD GLU A 92 76.668 10.094 -3.684 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.008 9.132 -3.015 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.593 10.182 -4.255 1.00 0.00 O ATOM 0 H GLU A 92 81.080 10.455 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 92 79.284 9.377 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.484 11.712 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.272 10.940 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 92 78.113 11.457 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.105 12.165 -4.093 1.00 0.00 H new ATOM 1475 N ASP A 93 78.680 8.503 -6.638 1.00 0.00 N ATOM 1476 CA ASP A 93 78.009 7.500 -7.455 1.00 0.00 C ATOM 1477 C ASP A 93 78.474 6.107 -7.050 1.00 0.00 C ATOM 1478 O ASP A 93 77.663 5.234 -6.743 1.00 0.00 O ATOM 1479 CB ASP A 93 78.318 7.732 -8.935 1.00 0.00 C ATOM 1480 CG ASP A 93 77.768 9.084 -9.378 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.435 9.877 -8.513 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.688 9.306 -10.575 1.00 0.00 O1- ATOM 0 H ASP A 93 79.212 9.196 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 93 76.934 7.583 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.395 7.697 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.877 6.936 -9.536 1.00 0.00 H new ATOM 1487 N LEU A 94 79.790 5.913 -7.040 1.00 0.00 N ATOM 1488 CA LEU A 94 80.362 4.628 -6.660 1.00 0.00 C ATOM 1489 C LEU A 94 79.831 4.198 -5.303 1.00 0.00 C ATOM 1490 O LEU A 94 79.598 3.015 -5.059 1.00 0.00 O ATOM 1491 CB LEU A 94 81.887 4.737 -6.581 1.00 0.00 C ATOM 1492 CG LEU A 94 82.481 3.425 -6.070 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.019 2.272 -6.958 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.009 3.514 -6.100 1.00 0.00 C ATOM 0 H LEU A 94 80.476 6.626 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 94 80.082 3.891 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.294 4.971 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.167 5.555 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 94 82.146 3.249 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.444 1.338 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.931 2.209 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.352 2.445 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.435 2.579 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.343 3.691 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.338 4.335 -5.463 1.00 0.00 H new ATOM 1506 N ILE A 95 79.655 5.171 -4.419 1.00 0.00 N ATOM 1507 CA ILE A 95 79.168 4.883 -3.083 1.00 0.00 C ATOM 1508 C ILE A 95 77.669 4.626 -3.108 1.00 0.00 C ATOM 1509 O ILE A 95 77.143 3.882 -2.280 1.00 0.00 O ATOM 1510 CB ILE A 95 79.516 6.039 -2.137 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.007 5.928 -1.760 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.648 5.961 -0.873 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.630 7.317 -1.586 1.00 0.00 C ATOM 0 H ILE A 95 79.841 6.157 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 95 79.655 3.981 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 95 79.326 6.993 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.112 5.359 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.543 5.379 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.901 6.785 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.596 6.028 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.830 5.014 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.682 7.213 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.545 7.874 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.107 7.854 -0.794 1.00 0.00 H new ATOM 1525 N ALA A 96 76.988 5.222 -4.077 1.00 0.00 N ATOM 1526 CA ALA A 96 75.555 5.020 -4.209 1.00 0.00 C ATOM 1527 C ALA A 96 75.288 3.567 -4.579 1.00 0.00 C ATOM 1528 O ALA A 96 74.292 2.976 -4.157 1.00 0.00 O ATOM 1529 CB ALA A 96 74.991 5.948 -5.284 1.00 0.00 C ATOM 0 H ALA A 96 77.400 5.842 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 96 75.066 5.250 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.917 5.789 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.182 6.985 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.472 5.734 -6.238 1.00 0.00 H new ATOM 1535 N TYR A 97 76.201 2.991 -5.358 1.00 0.00 N ATOM 1536 CA TYR A 97 76.071 1.601 -5.767 1.00 0.00 C ATOM 1537 C TYR A 97 76.484 0.683 -4.621 1.00 0.00 C ATOM 1538 O TYR A 97 75.836 -0.329 -4.363 1.00 0.00 O ATOM 1539 CB TYR A 97 76.946 1.321 -6.993 1.00 0.00 C ATOM 1540 CG TYR A 97 76.997 -0.169 -7.249 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.950 -0.800 -7.934 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.088 -0.920 -6.798 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.995 -2.179 -8.166 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.134 -2.300 -7.031 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.088 -2.929 -7.715 1.00 0.00 C ATOM 1546 OH TYR A 97 77.132 -4.290 -7.944 1.00 0.00 O ATOM 0 H TYR A 97 77.032 3.464 -5.715 1.00 0.00 H new ATOM 0 HA TYR A 97 75.030 1.410 -6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.544 1.837 -7.865 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.952 1.707 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.108 -0.221 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.895 -0.435 -6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.187 -2.665 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.977 -2.879 -6.683 1.00 0.00 H new ATOM 0 HH TYR A 97 78.061 -4.568 -8.088 1.00 0.00 H new ATOM 1556 N LEU A 98 77.566 1.047 -3.933 1.00 0.00 N ATOM 1557 CA LEU A 98 78.046 0.250 -2.813 1.00 0.00 C ATOM 1558 C LEU A 98 76.965 0.151 -1.739 1.00 0.00 C ATOM 1559 O LEU A 98 76.966 -0.775 -0.930 1.00 0.00 O ATOM 1560 CB LEU A 98 79.309 0.889 -2.214 1.00 0.00 C ATOM 1561 CG LEU A 98 80.540 0.512 -3.054 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.646 1.551 -2.866 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.068 -0.846 -2.598 1.00 0.00 C ATOM 0 H LEU A 98 78.119 1.881 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 98 78.286 -0.750 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.198 1.973 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.444 0.553 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 98 80.249 0.474 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.512 1.273 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.284 2.529 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.931 1.593 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.941 -1.115 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.348 -0.793 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.293 -1.601 -2.730 1.00 0.00 H new ATOM 1575 N LYS A 99 76.046 1.112 -1.739 1.00 0.00 N ATOM 1576 CA LYS A 99 74.963 1.124 -0.759 1.00 0.00 C ATOM 1577 C LYS A 99 73.853 0.161 -1.173 1.00 0.00 C ATOM 1578 O LYS A 99 73.427 -0.684 -0.386 1.00 0.00 O ATOM 1579 CB LYS A 99 74.392 2.541 -0.623 1.00 0.00 C ATOM 1580 CG LYS A 99 75.264 3.365 0.331 1.00 0.00 C ATOM 1581 CD LYS A 99 74.559 4.684 0.663 1.00 0.00 C ATOM 1582 CE LYS A 99 74.568 5.599 -0.563 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.221 6.988 -0.148 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.028 1.888 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 99 75.366 0.803 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.352 3.022 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.370 2.496 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.453 2.802 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.233 3.564 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.533 4.490 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.059 5.174 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.551 5.584 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.853 5.240 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.493 7.369 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.858 6.979 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.070 7.587 -0.196 1.00 0.00 H new ATOM 1597 N LYS A 100 73.389 0.295 -2.410 1.00 0.00 N ATOM 1598 CA LYS A 100 72.327 -0.570 -2.915 1.00 0.00 C ATOM 1599 C LYS A 100 72.874 -1.957 -3.234 1.00 0.00 C ATOM 1600 O LYS A 100 72.120 -2.922 -3.353 1.00 0.00 O ATOM 1601 CB LYS A 100 71.714 0.040 -4.177 1.00 0.00 C ATOM 1602 CG LYS A 100 70.838 1.237 -3.797 1.00 0.00 C ATOM 1603 CD LYS A 100 70.608 2.117 -5.028 1.00 0.00 C ATOM 1604 CE LYS A 100 69.578 3.199 -4.699 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.221 2.590 -4.629 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.727 0.988 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 100 71.560 -0.661 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.502 0.356 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.118 -0.707 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 100 69.883 0.891 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.318 1.816 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.546 2.576 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.258 1.509 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.824 3.673 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.599 3.979 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.501 3.336 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.105 1.910 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.108 2.098 -3.720 1.00 0.00 H new ATOM 1619 N ALA A 101 74.192 -2.044 -3.372 1.00 0.00 N ATOM 1620 CA ALA A 101 74.842 -3.313 -3.679 1.00 0.00 C ATOM 1621 C ALA A 101 75.129 -4.094 -2.402 1.00 0.00 C ATOM 1622 O ALA A 101 75.113 -5.324 -2.398 1.00 0.00 O ATOM 1623 CB ALA A 101 76.152 -3.060 -4.425 1.00 0.00 C ATOM 0 H ALA A 101 74.830 -1.254 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 101 74.170 -3.899 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.632 -4.012 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.945 -2.529 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.815 -2.458 -3.803 1.00 0.00 H new ATOM 1629 N THR A 102 75.393 -3.369 -1.319 1.00 0.00 N ATOM 1630 CA THR A 102 75.686 -4.004 -0.038 1.00 0.00 C ATOM 1631 C THR A 102 74.406 -4.178 0.765 1.00 0.00 C ATOM 1632 O THR A 102 74.405 -4.791 1.833 1.00 0.00 O ATOM 1633 CB THR A 102 76.676 -3.150 0.757 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.124 -1.857 0.963 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.990 -3.031 -0.017 1.00 0.00 C ATOM 0 H THR A 102 75.410 -2.349 -1.302 1.00 0.00 H new ATOM 0 HA THR A 102 76.126 -4.983 -0.227 1.00 0.00 H new ATOM 0 HB THR A 102 76.869 -3.620 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.200 -1.333 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.693 -2.422 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.412 -4.024 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.802 -2.562 -0.983 1.00 0.00 H new ATOM 1643 N ASN A 103 73.319 -3.630 0.239 1.00 0.00 N ATOM 1644 CA ASN A 103 72.025 -3.717 0.901 1.00 0.00 C ATOM 1645 C ASN A 103 71.228 -4.896 0.352 1.00 0.00 C ATOM 1646 O ASN A 103 70.348 -5.432 1.026 1.00 0.00 O ATOM 1647 CB ASN A 103 71.247 -2.421 0.678 1.00 0.00 C ATOM 1648 CG ASN A 103 71.772 -1.332 1.605 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.020 -0.448 2.016 1.00 0.00 O ATOM 1650 ND2 ASN A 103 73.025 -1.344 1.961 1.00 0.00 N ATOM 0 H ASN A 103 73.308 -3.120 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 103 72.184 -3.867 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.343 -2.104 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.186 -2.588 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.386 -0.620 2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.645 -2.078 1.619 1.00 0.00 H new ATOM 1657 N GLU A 104 71.541 -5.292 -0.878 1.00 0.00 N ATOM 1658 CA GLU A 104 70.847 -6.409 -1.514 1.00 0.00 C ATOM 1659 C GLU A 104 71.622 -7.707 -1.310 1.00 0.00 C ATOM 1660 O GLU A 104 72.841 -7.659 -1.343 1.00 0.00 O ATOM 1661 CB GLU A 104 70.686 -6.138 -3.011 1.00 0.00 C ATOM 1662 CG GLU A 104 72.055 -6.186 -3.693 1.00 0.00 C ATOM 1663 CD GLU A 104 71.968 -5.565 -5.084 1.00 0.00 C ATOM 1664 OE1 GLU A 104 71.261 -4.582 -5.228 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 72.609 -6.083 -5.982 1.00 0.00 O ATOM 1666 OXT GLU A 104 70.984 -8.731 -1.125 1.00 0.00 O ATOM 0 H GLU A 104 72.265 -4.860 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 104 69.863 -6.511 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 104 70.021 -6.879 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.225 -5.162 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 104 72.789 -5.649 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 104 72.397 -7.218 -3.767 1.00 0.00 H new