USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 897 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 105 GLN : amide:sc= -0.807 K(o=-0.043,f=-0.8) USER MOD Set 1.2: A 109 SER OG : rot 85:sc= 0.764 USER MOD Set 2.1: A 103 THR OG1 : rot 179:sc= 0.956 USER MOD Set 2.2: A 106 GLN : amide:sc= -0.437 X(o=0.52,f=0.92) USER MOD Set 3.1: A 99 ASN : amide:sc= -2.11 K(o=-4.8,f=-10!) USER MOD Set 3.2: A 102 MET CE :methyl -163:sc= -2.7! (180deg=-3.17!) USER MOD Set 4.1: A 59 MET CE :methyl -152:sc= -0.164 (180deg=-1.26) USER MOD Set 4.2: A 88 MET CE :methyl 143:sc= -1.82 (180deg=-4.42!) USER MOD Set 5.1: A 55 SER OG : rot -90:sc= -1.08 USER MOD Set 5.2: A 57 LYS NZ :NH3+ 134:sc= -0.558 (180deg=-1.15) USER MOD Set 6.1: A 13 SER OG : rot 44:sc= 1.02 USER MOD Set 6.2: A 32 THR OG1 : rot -162:sc= 1.58 USER MOD Set 7.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 2 SER OG : rot -106:sc= -0.679! USER MOD Set 8.2: A 3 HIS : no HD1:sc= -0.145! C(o=-0.82!,f=-7.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.929 K(o=-0.93,f=-2.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.363 USER MOD Single : A 36 LYS NZ :NH3+ -109:sc= -0.294 (180deg=-2.5!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -4.54! C(o=-5.1!,f=-4.5!) USER MOD Single : A 43 SER OG : rot 103:sc= 0.0319 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.185 (180deg=-0.721) USER MOD Single : A 49 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.548 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -108:sc= -2.62! (180deg=-4.53!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.198 (180deg=0.198) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00385) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0.0016 (180deg=0.000513) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.119 F(o=-0.64,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc=-0.00751 K(o=-0.0075,f=-1.4) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 69:sc=0.000969 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 93 ASN : amide:sc= -1.91 K(o=-1.9,f=-3!) USER MOD Single : A 95 THR OG1 : rot 92:sc= 0.0958 USER MOD Single : A 97 MET CE :methyl -176:sc= -6.66! (180deg=-7.51!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 90:sc=-0.00239 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -10.860 -3.659 11.169 1.00 0.00 N ATOM 18 CA SER A 2 -9.657 -3.362 11.938 1.00 0.00 C ATOM 19 C SER A 2 -8.422 -3.952 11.266 1.00 0.00 C ATOM 20 O SER A 2 -7.600 -3.227 10.706 1.00 0.00 O ATOM 21 CB SER A 2 -9.787 -3.905 13.363 1.00 0.00 C ATOM 22 OG SER A 2 -8.640 -3.595 14.134 1.00 0.00 O ATOM 0 HA SER A 2 -9.543 -2.279 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.673 -3.482 13.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.927 -4.986 13.332 1.00 0.00 H new ATOM 0 HG SER A 2 -8.100 -4.404 14.257 1.00 0.00 H new ATOM 28 N HIS A 3 -8.295 -5.274 11.329 1.00 0.00 N ATOM 29 CA HIS A 3 -7.155 -5.960 10.731 1.00 0.00 C ATOM 30 C HIS A 3 -7.601 -6.860 9.586 1.00 0.00 C ATOM 31 O HIS A 3 -7.026 -7.923 9.349 1.00 0.00 O ATOM 32 CB HIS A 3 -6.419 -6.768 11.795 1.00 0.00 C ATOM 33 CG HIS A 3 -5.898 -5.912 12.904 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.717 -5.300 13.827 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.634 -5.546 13.219 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.981 -4.591 14.662 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.713 -4.723 14.317 1.00 0.00 N ATOM 0 H HIS A 3 -8.966 -5.890 11.787 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.475 -5.213 10.322 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.092 -7.520 12.206 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.589 -7.302 11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.733 -5.844 12.704 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.353 -4.002 15.488 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.921 -4.286 14.789 1.00 0.00 H new ATOM 46 N SER A 4 -8.622 -6.411 8.871 1.00 0.00 N ATOM 47 CA SER A 4 -9.154 -7.147 7.732 1.00 0.00 C ATOM 48 C SER A 4 -10.170 -6.304 6.978 1.00 0.00 C ATOM 49 O SER A 4 -10.955 -5.572 7.581 1.00 0.00 O ATOM 50 CB SER A 4 -9.803 -8.459 8.172 1.00 0.00 C ATOM 51 OG SER A 4 -10.715 -8.248 9.236 1.00 0.00 O ATOM 0 H SER A 4 -9.103 -5.532 9.062 1.00 0.00 H new ATOM 0 HA SER A 4 -8.318 -7.378 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.323 -8.911 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.031 -9.162 8.485 1.00 0.00 H new ATOM 0 HG SER A 4 -11.117 -9.103 9.497 1.00 0.00 H new ATOM 57 N GLY A 5 -10.153 -6.414 5.658 1.00 0.00 N ATOM 58 CA GLY A 5 -11.080 -5.658 4.846 1.00 0.00 C ATOM 59 C GLY A 5 -11.025 -6.052 3.393 1.00 0.00 C ATOM 60 O GLY A 5 -9.991 -5.914 2.738 1.00 0.00 O ATOM 0 H GLY A 5 -9.514 -7.013 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.092 -5.806 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.858 -4.595 4.940 1.00 0.00 H new ATOM 64 N ALA A 6 -12.145 -6.549 2.892 1.00 0.00 N ATOM 65 CA ALA A 6 -12.243 -6.975 1.506 1.00 0.00 C ATOM 66 C ALA A 6 -11.629 -5.945 0.563 1.00 0.00 C ATOM 67 O ALA A 6 -12.217 -4.898 0.295 1.00 0.00 O ATOM 68 CB ALA A 6 -13.688 -7.261 1.150 1.00 0.00 C ATOM 0 H ALA A 6 -13.004 -6.668 3.429 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.672 -7.896 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.750 -7.579 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.072 -8.051 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.283 -6.358 1.289 1.00 0.00 H new ATOM 74 N ALA A 7 -10.427 -6.250 0.084 1.00 0.00 N ATOM 75 CA ALA A 7 -9.700 -5.352 -0.813 1.00 0.00 C ATOM 76 C ALA A 7 -9.419 -6.005 -2.164 1.00 0.00 C ATOM 77 O ALA A 7 -9.315 -7.223 -2.267 1.00 0.00 O ATOM 78 CB ALA A 7 -8.389 -4.932 -0.165 1.00 0.00 C ATOM 0 H ALA A 7 -9.933 -7.115 0.302 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.327 -4.478 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.850 -4.263 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.595 -4.417 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.781 -5.815 0.032 1.00 0.00 H new ATOM 84 N ILE A 8 -9.273 -5.182 -3.202 1.00 0.00 N ATOM 85 CA ILE A 8 -8.980 -5.692 -4.535 1.00 0.00 C ATOM 86 C ILE A 8 -7.499 -5.554 -4.840 1.00 0.00 C ATOM 87 O ILE A 8 -6.925 -4.471 -4.726 1.00 0.00 O ATOM 88 CB ILE A 8 -9.812 -4.978 -5.628 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.180 -5.644 -5.747 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.107 -4.985 -6.981 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.318 -4.736 -5.382 1.00 0.00 C ATOM 0 H ILE A 8 -9.353 -4.167 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.257 -6.746 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.931 -3.937 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.318 -5.994 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.205 -6.523 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.727 -4.473 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.149 -4.472 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.941 -6.014 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.261 -5.273 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.203 -4.406 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.318 -3.869 -6.042 1.00 0.00 H new ATOM 103 N PHE A 9 -6.888 -6.659 -5.228 1.00 0.00 N ATOM 104 CA PHE A 9 -5.465 -6.663 -5.554 1.00 0.00 C ATOM 105 C PHE A 9 -5.243 -6.968 -7.031 1.00 0.00 C ATOM 106 O PHE A 9 -5.762 -7.951 -7.556 1.00 0.00 O ATOM 107 CB PHE A 9 -4.719 -7.681 -4.691 1.00 0.00 C ATOM 108 CG PHE A 9 -3.225 -7.544 -4.765 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.612 -6.338 -4.466 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.436 -8.620 -5.135 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.238 -6.208 -4.533 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.061 -8.497 -5.206 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.462 -7.289 -4.904 1.00 0.00 C ATOM 0 H PHE A 9 -7.349 -7.564 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.072 -5.668 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.036 -7.569 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.000 -8.687 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.215 -5.490 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.900 -9.566 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.772 -5.263 -4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.456 -9.343 -5.497 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.612 -7.190 -4.958 1.00 0.00 H new ATOM 123 N GLU A 10 -4.472 -6.114 -7.697 1.00 0.00 N ATOM 124 CA GLU A 10 -4.185 -6.295 -9.115 1.00 0.00 C ATOM 125 C GLU A 10 -5.473 -6.328 -9.924 1.00 0.00 C ATOM 126 O GLU A 10 -5.602 -7.103 -10.872 1.00 0.00 O ATOM 127 CB GLU A 10 -3.396 -7.587 -9.334 1.00 0.00 C ATOM 128 CG GLU A 10 -2.136 -7.674 -8.490 1.00 0.00 C ATOM 129 CD GLU A 10 -1.325 -8.923 -8.776 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.852 -9.831 -9.452 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.163 -8.993 -8.323 1.00 0.00 O ATOM 0 H GLU A 10 -4.036 -5.292 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.585 -5.451 -9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.037 -8.439 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.125 -7.665 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.519 -6.795 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.409 -7.656 -7.435 1.00 0.00 H new ATOM 138 N LYS A 11 -6.435 -5.495 -9.530 1.00 0.00 N ATOM 139 CA LYS A 11 -7.726 -5.439 -10.207 1.00 0.00 C ATOM 140 C LYS A 11 -8.549 -6.686 -9.896 1.00 0.00 C ATOM 141 O LYS A 11 -9.659 -6.849 -10.401 1.00 0.00 O ATOM 142 CB LYS A 11 -7.546 -5.281 -11.722 1.00 0.00 C ATOM 143 CG LYS A 11 -7.848 -3.878 -12.220 1.00 0.00 C ATOM 144 CD LYS A 11 -9.344 -3.609 -12.255 1.00 0.00 C ATOM 145 CE LYS A 11 -9.658 -2.290 -12.944 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.906 -2.368 -13.751 1.00 0.00 N ATOM 0 H LYS A 11 -6.343 -4.850 -8.745 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.263 -4.566 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.521 -5.541 -11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.198 -5.989 -12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.361 -3.148 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.430 -3.747 -13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.849 -4.422 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.735 -3.591 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.759 -1.504 -12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.825 -2.010 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.084 -1.449 -14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.801 -3.100 -14.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.706 -2.610 -13.131 1.00 0.00 H new ATOM 160 N VAL A 12 -8.006 -7.556 -9.044 1.00 0.00 N ATOM 161 CA VAL A 12 -8.700 -8.765 -8.649 1.00 0.00 C ATOM 162 C VAL A 12 -9.298 -8.580 -7.275 1.00 0.00 C ATOM 163 O VAL A 12 -8.839 -7.753 -6.491 1.00 0.00 O ATOM 164 CB VAL A 12 -7.772 -9.995 -8.660 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.406 -11.176 -7.933 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.455 -10.364 -10.088 1.00 0.00 C ATOM 0 H VAL A 12 -7.087 -7.439 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.491 -8.948 -9.376 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.852 -9.743 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.726 -12.027 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.604 -10.902 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.342 -11.445 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.798 -11.234 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.379 -10.598 -10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.958 -9.527 -10.578 1.00 0.00 H new ATOM 176 N SER A 13 -10.336 -9.331 -6.990 1.00 0.00 N ATOM 177 CA SER A 13 -11.002 -9.206 -5.706 1.00 0.00 C ATOM 178 C SER A 13 -10.526 -10.240 -4.697 1.00 0.00 C ATOM 179 O SER A 13 -10.141 -11.355 -5.049 1.00 0.00 O ATOM 180 CB SER A 13 -12.509 -9.296 -5.876 1.00 0.00 C ATOM 181 OG SER A 13 -12.900 -10.567 -6.366 1.00 0.00 O ATOM 0 H SER A 13 -10.737 -10.028 -7.618 1.00 0.00 H new ATOM 0 HA SER A 13 -10.740 -8.225 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.996 -9.108 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.846 -8.520 -6.563 1.00 0.00 H new ATOM 0 HG SER A 13 -12.402 -11.267 -5.894 1.00 0.00 H new ATOM 187 N GLY A 14 -10.560 -9.836 -3.435 1.00 0.00 N ATOM 188 CA GLY A 14 -10.142 -10.687 -2.343 1.00 0.00 C ATOM 189 C GLY A 14 -10.189 -9.928 -1.038 1.00 0.00 C ATOM 190 O GLY A 14 -10.553 -8.753 -1.023 1.00 0.00 O ATOM 0 H GLY A 14 -10.878 -8.911 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.790 -11.562 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.131 -11.051 -2.523 1.00 0.00 H new ATOM 194 N ILE A 15 -9.826 -10.569 0.060 1.00 0.00 N ATOM 195 CA ILE A 15 -9.839 -9.886 1.341 1.00 0.00 C ATOM 196 C ILE A 15 -8.427 -9.582 1.795 1.00 0.00 C ATOM 197 O ILE A 15 -7.510 -10.382 1.613 1.00 0.00 O ATOM 198 CB ILE A 15 -10.586 -10.681 2.444 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.091 -10.799 2.141 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.397 -10.006 3.802 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.502 -10.396 0.740 1.00 0.00 C ATOM 0 H ILE A 15 -9.524 -11.543 0.091 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.386 -8.956 1.188 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.160 -11.684 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.399 -11.831 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.638 -10.182 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.926 -10.574 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.335 -9.970 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.795 -8.992 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.580 -10.515 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.232 -9.354 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.990 -11.028 0.015 1.00 0.00 H new ATOM 213 N ILE A 16 -8.266 -8.418 2.399 1.00 0.00 N ATOM 214 CA ILE A 16 -6.975 -7.997 2.895 1.00 0.00 C ATOM 215 C ILE A 16 -6.982 -8.095 4.409 1.00 0.00 C ATOM 216 O ILE A 16 -7.783 -7.449 5.080 1.00 0.00 O ATOM 217 CB ILE A 16 -6.644 -6.549 2.440 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.431 -6.545 1.508 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.403 -5.623 3.620 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.051 -5.165 1.015 1.00 0.00 C ATOM 0 H ILE A 16 -9.019 -7.748 2.557 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.202 -8.648 2.486 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.512 -6.173 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.580 -6.982 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.640 -7.184 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.175 -4.621 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.296 -5.588 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.564 -5.995 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.183 -5.239 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.886 -4.733 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.810 -4.528 1.866 1.00 0.00 H new ATOM 232 N ALA A 17 -6.107 -8.931 4.940 1.00 0.00 N ATOM 233 CA ALA A 17 -6.038 -9.133 6.375 1.00 0.00 C ATOM 234 C ALA A 17 -4.669 -8.754 6.923 1.00 0.00 C ATOM 235 O ALA A 17 -3.637 -9.095 6.345 1.00 0.00 O ATOM 236 CB ALA A 17 -6.389 -10.575 6.706 1.00 0.00 C ATOM 0 H ALA A 17 -5.437 -9.479 4.400 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.764 -8.478 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.336 -10.724 7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.399 -10.793 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.684 -11.244 6.213 1.00 0.00 H new ATOM 242 N ILE A 18 -4.677 -8.028 8.033 1.00 0.00 N ATOM 243 CA ILE A 18 -3.449 -7.572 8.663 1.00 0.00 C ATOM 244 C ILE A 18 -3.167 -8.348 9.947 1.00 0.00 C ATOM 245 O ILE A 18 -4.077 -8.650 10.718 1.00 0.00 O ATOM 246 CB ILE A 18 -3.537 -6.057 8.959 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.440 -5.268 7.652 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.459 -5.614 9.937 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.820 -3.811 7.791 1.00 0.00 C ATOM 0 H ILE A 18 -5.528 -7.742 8.517 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.624 -7.754 7.974 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.500 -5.856 9.427 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.420 -5.334 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.087 -5.733 6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.552 -4.544 10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.575 -6.155 10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.476 -5.825 9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.727 -3.317 6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.850 -3.735 8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.157 -3.329 8.510 1.00 0.00 H new ATOM 261 N ASN A 19 -1.898 -8.674 10.166 1.00 0.00 N ATOM 262 CA ASN A 19 -1.494 -9.419 11.353 1.00 0.00 C ATOM 263 C ASN A 19 -0.292 -8.764 12.024 1.00 0.00 C ATOM 264 O ASN A 19 0.807 -8.741 11.467 1.00 0.00 O ATOM 265 CB ASN A 19 -1.161 -10.865 10.985 1.00 0.00 C ATOM 266 CG ASN A 19 -2.385 -11.652 10.565 1.00 0.00 C ATOM 267 OD1 ASN A 19 -3.506 -11.144 10.594 1.00 0.00 O ATOM 268 ND2 ASN A 19 -2.177 -12.903 10.171 1.00 0.00 N ATOM 0 H ASN A 19 -1.131 -8.434 9.537 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.328 -9.413 12.055 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.433 -10.872 10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.693 -11.355 11.838 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.963 -13.482 9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.231 -13.284 10.162 1.00 0.00 H new ATOM 275 N GLU A 20 -0.505 -8.237 13.225 1.00 0.00 N ATOM 276 CA GLU A 20 0.562 -7.586 13.975 1.00 0.00 C ATOM 277 C GLU A 20 1.286 -8.580 14.879 1.00 0.00 C ATOM 278 O GLU A 20 2.152 -8.199 15.667 1.00 0.00 O ATOM 279 CB GLU A 20 0.003 -6.432 14.808 1.00 0.00 C ATOM 280 CG GLU A 20 -0.672 -5.353 13.977 1.00 0.00 C ATOM 281 CD GLU A 20 -1.164 -4.190 14.817 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.178 -4.318 16.059 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.536 -3.151 14.232 1.00 0.00 O ATOM 0 H GLU A 20 -1.408 -8.248 13.700 1.00 0.00 H new ATOM 0 HA GLU A 20 1.281 -7.190 13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.715 -6.828 15.526 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.814 -5.983 15.382 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.030 -4.984 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.513 -5.788 13.438 1.00 0.00 H new ATOM 290 N ASP A 21 0.937 -9.858 14.755 1.00 0.00 N ATOM 291 CA ASP A 21 1.564 -10.901 15.553 1.00 0.00 C ATOM 292 C ASP A 21 2.921 -11.275 14.970 1.00 0.00 C ATOM 293 O ASP A 21 3.754 -11.883 15.642 1.00 0.00 O ATOM 294 CB ASP A 21 0.667 -12.137 15.607 1.00 0.00 C ATOM 295 CG ASP A 21 -0.640 -11.874 16.329 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.735 -10.844 17.032 1.00 0.00 O ATOM 297 OD2 ASP A 21 -1.570 -12.697 16.193 1.00 0.00 O ATOM 0 H ASP A 21 0.223 -10.193 14.109 1.00 0.00 H new ATOM 0 HA ASP A 21 1.708 -10.520 16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.456 -12.474 14.592 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.199 -12.946 16.108 1.00 0.00 H new ATOM 302 N VAL A 22 3.137 -10.904 13.710 1.00 0.00 N ATOM 303 CA VAL A 22 4.386 -11.196 13.030 1.00 0.00 C ATOM 304 C VAL A 22 5.304 -9.978 13.027 1.00 0.00 C ATOM 305 O VAL A 22 4.842 -8.842 12.912 1.00 0.00 O ATOM 306 CB VAL A 22 4.151 -11.651 11.572 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.166 -13.169 11.477 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.850 -11.090 11.017 1.00 0.00 C ATOM 0 H VAL A 22 2.457 -10.399 13.142 1.00 0.00 H new ATOM 0 HA VAL A 22 4.859 -12.009 13.580 1.00 0.00 H new ATOM 0 HB VAL A 22 4.966 -11.257 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.999 -13.471 10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.132 -13.545 11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.378 -13.581 12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.716 -11.430 9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.015 -11.437 11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.886 -10.001 11.037 1.00 0.00 H new ATOM 318 N SER A 23 6.605 -10.220 13.154 1.00 0.00 N ATOM 319 CA SER A 23 7.583 -9.141 13.164 1.00 0.00 C ATOM 320 C SER A 23 8.534 -9.256 11.970 1.00 0.00 C ATOM 321 O SER A 23 9.283 -10.227 11.861 1.00 0.00 O ATOM 322 CB SER A 23 8.377 -9.158 14.472 1.00 0.00 C ATOM 323 OG SER A 23 9.631 -8.515 14.322 1.00 0.00 O ATOM 0 H SER A 23 7.005 -11.153 13.251 1.00 0.00 H new ATOM 0 HA SER A 23 7.047 -8.195 13.086 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.803 -8.662 15.255 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.530 -10.188 14.793 1.00 0.00 H new ATOM 0 HG SER A 23 10.115 -8.540 15.174 1.00 0.00 H new ATOM 329 N PRO A 24 8.519 -8.268 11.053 1.00 0.00 N ATOM 330 CA PRO A 24 7.649 -7.096 11.135 1.00 0.00 C ATOM 331 C PRO A 24 6.233 -7.404 10.666 1.00 0.00 C ATOM 332 O PRO A 24 6.036 -8.184 9.733 1.00 0.00 O ATOM 333 CB PRO A 24 8.313 -6.072 10.198 1.00 0.00 C ATOM 334 CG PRO A 24 9.514 -6.747 9.609 1.00 0.00 C ATOM 335 CD PRO A 24 9.357 -8.222 9.853 1.00 0.00 C ATOM 0 HA PRO A 24 7.547 -6.740 12.160 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.622 -5.758 9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.602 -5.176 10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.588 -6.539 8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.429 -6.376 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.882 -8.723 9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.319 -8.710 10.013 1.00 0.00 H new ATOM 343 N ALA A 25 5.245 -6.789 11.316 1.00 0.00 N ATOM 344 CA ALA A 25 3.844 -7.000 10.958 1.00 0.00 C ATOM 345 C ALA A 25 3.649 -6.930 9.446 1.00 0.00 C ATOM 346 O ALA A 25 4.269 -6.109 8.770 1.00 0.00 O ATOM 347 CB ALA A 25 2.960 -5.976 11.655 1.00 0.00 C ATOM 0 H ALA A 25 5.389 -6.142 12.091 1.00 0.00 H new ATOM 0 HA ALA A 25 3.555 -7.997 11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.919 -6.146 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.070 -6.076 12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.257 -4.972 11.351 1.00 0.00 H new ATOM 353 N GLU A 26 2.798 -7.803 8.917 1.00 0.00 N ATOM 354 CA GLU A 26 2.547 -7.838 7.481 1.00 0.00 C ATOM 355 C GLU A 26 1.055 -7.914 7.172 1.00 0.00 C ATOM 356 O GLU A 26 0.235 -8.184 8.048 1.00 0.00 O ATOM 357 CB GLU A 26 3.265 -9.031 6.849 1.00 0.00 C ATOM 358 CG GLU A 26 4.738 -9.119 7.214 1.00 0.00 C ATOM 359 CD GLU A 26 5.471 -10.193 6.433 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.797 -11.014 5.775 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.718 -10.215 6.481 1.00 0.00 O ATOM 0 H GLU A 26 2.274 -8.491 9.457 1.00 0.00 H new ATOM 0 HA GLU A 26 2.934 -6.911 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.767 -9.950 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.171 -8.968 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.212 -8.155 7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.832 -9.323 8.281 1.00 0.00 H new ATOM 368 N LEU A 27 0.722 -7.682 5.906 1.00 0.00 N ATOM 369 CA LEU A 27 -0.658 -7.729 5.443 1.00 0.00 C ATOM 370 C LEU A 27 -0.795 -8.772 4.340 1.00 0.00 C ATOM 371 O LEU A 27 0.010 -8.808 3.409 1.00 0.00 O ATOM 372 CB LEU A 27 -1.092 -6.351 4.932 1.00 0.00 C ATOM 373 CG LEU A 27 -2.420 -6.323 4.171 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.069 -4.952 4.281 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.205 -6.698 2.712 1.00 0.00 C ATOM 0 H LEU A 27 1.399 -7.457 5.176 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.305 -8.007 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.165 -5.673 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.310 -5.961 4.280 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.090 -7.056 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.012 -4.951 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.258 -4.722 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.403 -4.199 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.159 -6.673 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.518 -5.988 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.784 -7.702 2.653 1.00 0.00 H new ATOM 387 N THR A 28 -1.802 -9.630 4.454 1.00 0.00 N ATOM 388 CA THR A 28 -2.012 -10.682 3.466 1.00 0.00 C ATOM 389 C THR A 28 -3.357 -10.545 2.759 1.00 0.00 C ATOM 390 O THR A 28 -4.405 -10.467 3.398 1.00 0.00 O ATOM 391 CB THR A 28 -1.916 -12.055 4.130 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.687 -12.192 4.822 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.023 -13.204 3.151 1.00 0.00 C ATOM 0 H THR A 28 -2.481 -9.619 5.215 1.00 0.00 H new ATOM 0 HA THR A 28 -1.230 -10.581 2.714 1.00 0.00 H new ATOM 0 HB THR A 28 -2.763 -12.104 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.645 -13.077 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.947 -14.149 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.983 -13.156 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.216 -13.136 2.421 1.00 0.00 H new ATOM 401 N TRP A 29 -3.308 -10.533 1.432 1.00 0.00 N ATOM 402 CA TRP A 29 -4.498 -10.428 0.612 1.00 0.00 C ATOM 403 C TRP A 29 -4.890 -11.803 0.085 1.00 0.00 C ATOM 404 O TRP A 29 -4.058 -12.526 -0.460 1.00 0.00 O ATOM 405 CB TRP A 29 -4.237 -9.486 -0.562 1.00 0.00 C ATOM 406 CG TRP A 29 -5.387 -9.395 -1.508 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.570 -8.771 -1.279 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.471 -9.957 -2.822 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.390 -8.890 -2.374 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.738 -9.619 -3.337 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.599 -10.709 -3.615 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.151 -10.008 -4.609 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.011 -11.094 -4.877 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.277 -10.743 -5.362 1.00 0.00 C ATOM 0 H TRP A 29 -2.440 -10.596 0.899 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.312 -10.031 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.011 -8.491 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.355 -9.827 -1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.829 -8.255 -0.366 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.329 -8.501 -2.458 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.621 -10.984 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.126 -9.739 -4.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.346 -11.675 -5.499 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.570 -11.060 -6.352 1.00 0.00 H new ATOM 425 N ARG A 30 -6.156 -12.160 0.248 1.00 0.00 N ATOM 426 CA ARG A 30 -6.643 -13.452 -0.218 1.00 0.00 C ATOM 427 C ARG A 30 -7.842 -13.280 -1.143 1.00 0.00 C ATOM 428 O ARG A 30 -8.895 -12.804 -0.726 1.00 0.00 O ATOM 429 CB ARG A 30 -7.018 -14.340 0.970 1.00 0.00 C ATOM 430 CG ARG A 30 -7.467 -15.735 0.569 1.00 0.00 C ATOM 431 CD ARG A 30 -6.929 -16.790 1.521 1.00 0.00 C ATOM 432 NE ARG A 30 -7.396 -18.130 1.175 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.944 -18.827 0.134 1.00 0.00 C ATOM 434 NH1 ARG A 30 -6.013 -18.315 -0.663 1.00 0.00 N ATOM 435 NH2 ARG A 30 -7.422 -20.039 -0.109 1.00 0.00 N ATOM 0 H ARG A 30 -6.862 -11.577 0.697 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.842 -13.933 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.160 -14.421 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.816 -13.859 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.556 -15.778 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.127 -15.950 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.839 -16.771 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.237 -16.551 2.539 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.110 -18.557 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.640 -17.383 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.671 -18.853 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.136 -20.438 0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.076 -20.573 -0.906 1.00 0.00 H new ATOM 449 N SER A 31 -7.671 -13.674 -2.403 1.00 0.00 N ATOM 450 CA SER A 31 -8.740 -13.563 -3.394 1.00 0.00 C ATOM 451 C SER A 31 -10.069 -14.057 -2.828 1.00 0.00 C ATOM 452 O SER A 31 -10.105 -14.704 -1.783 1.00 0.00 O ATOM 453 CB SER A 31 -8.383 -14.363 -4.649 1.00 0.00 C ATOM 454 OG SER A 31 -9.458 -14.369 -5.572 1.00 0.00 O ATOM 0 H SER A 31 -6.803 -14.073 -2.762 1.00 0.00 H new ATOM 0 HA SER A 31 -8.847 -12.510 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.498 -13.933 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.131 -15.387 -4.372 1.00 0.00 H new ATOM 0 HG SER A 31 -9.205 -14.885 -6.366 1.00 0.00 H new ATOM 460 N THR A 32 -11.156 -13.752 -3.528 1.00 0.00 N ATOM 461 CA THR A 32 -12.479 -14.171 -3.096 1.00 0.00 C ATOM 462 C THR A 32 -12.651 -15.656 -3.347 1.00 0.00 C ATOM 463 O THR A 32 -13.190 -16.389 -2.516 1.00 0.00 O ATOM 464 CB THR A 32 -13.556 -13.382 -3.843 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.972 -12.430 -4.714 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.498 -12.640 -2.922 1.00 0.00 C ATOM 0 H THR A 32 -11.144 -13.216 -4.396 1.00 0.00 H new ATOM 0 HA THR A 32 -12.583 -13.974 -2.029 1.00 0.00 H new ATOM 0 HB THR A 32 -14.124 -14.128 -4.399 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.641 -11.757 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.237 -12.101 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.005 -13.351 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.932 -11.932 -2.317 1.00 0.00 H new ATOM 474 N ASP A 33 -12.180 -16.083 -4.504 1.00 0.00 N ATOM 475 CA ASP A 33 -12.260 -17.476 -4.897 1.00 0.00 C ATOM 476 C ASP A 33 -11.155 -18.298 -4.238 1.00 0.00 C ATOM 477 O ASP A 33 -11.275 -19.514 -4.093 1.00 0.00 O ATOM 478 CB ASP A 33 -12.175 -17.608 -6.418 1.00 0.00 C ATOM 479 CG ASP A 33 -13.365 -16.982 -7.121 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.395 -16.753 -6.454 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.266 -16.722 -8.338 1.00 0.00 O ATOM 0 H ASP A 33 -11.734 -15.478 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.222 -17.863 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.258 -17.135 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.112 -18.663 -6.685 1.00 0.00 H new ATOM 486 N GLY A 34 -10.081 -17.623 -3.840 1.00 0.00 N ATOM 487 CA GLY A 34 -8.970 -18.303 -3.203 1.00 0.00 C ATOM 488 C GLY A 34 -7.950 -18.810 -4.204 1.00 0.00 C ATOM 489 O GLY A 34 -7.326 -19.850 -3.990 1.00 0.00 O ATOM 0 H GLY A 34 -9.961 -16.616 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.483 -17.622 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.348 -19.141 -2.618 1.00 0.00 H new ATOM 493 N ASP A 35 -7.783 -18.078 -5.299 1.00 0.00 N ATOM 494 CA ASP A 35 -6.833 -18.463 -6.338 1.00 0.00 C ATOM 495 C ASP A 35 -5.616 -17.541 -6.352 1.00 0.00 C ATOM 496 O ASP A 35 -4.568 -17.894 -6.894 1.00 0.00 O ATOM 497 CB ASP A 35 -7.513 -18.447 -7.708 1.00 0.00 C ATOM 498 CG ASP A 35 -8.601 -19.497 -7.828 1.00 0.00 C ATOM 499 OD1 ASP A 35 -8.625 -20.426 -6.993 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.427 -19.392 -8.759 1.00 0.00 O ATOM 0 H ASP A 35 -8.292 -17.215 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.490 -19.473 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.943 -17.461 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.765 -18.613 -8.483 1.00 0.00 H new ATOM 505 N LYS A 36 -5.758 -16.361 -5.757 1.00 0.00 N ATOM 506 CA LYS A 36 -4.666 -15.395 -5.709 1.00 0.00 C ATOM 507 C LYS A 36 -4.415 -14.921 -4.281 1.00 0.00 C ATOM 508 O LYS A 36 -5.353 -14.606 -3.547 1.00 0.00 O ATOM 509 CB LYS A 36 -4.975 -14.193 -6.603 1.00 0.00 C ATOM 510 CG LYS A 36 -5.646 -14.564 -7.918 1.00 0.00 C ATOM 511 CD LYS A 36 -4.960 -13.905 -9.105 1.00 0.00 C ATOM 512 CE LYS A 36 -4.924 -12.391 -8.963 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.627 -11.916 -8.408 1.00 0.00 N ATOM 0 H LYS A 36 -6.617 -16.051 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.767 -15.892 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.620 -13.503 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.047 -13.662 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.629 -15.647 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.693 -14.263 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.943 -14.287 -9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.484 -14.172 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.092 -11.931 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.737 -12.068 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.769 -11.576 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.943 -12.699 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.261 -11.140 -8.996 1.00 0.00 H new ATOM 527 N VAL A 37 -3.144 -14.870 -3.892 1.00 0.00 N ATOM 528 CA VAL A 37 -2.772 -14.429 -2.554 1.00 0.00 C ATOM 529 C VAL A 37 -1.536 -13.533 -2.594 1.00 0.00 C ATOM 530 O VAL A 37 -0.590 -13.798 -3.335 1.00 0.00 O ATOM 531 CB VAL A 37 -2.510 -15.626 -1.618 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.281 -16.406 -2.066 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.359 -15.156 -0.179 1.00 0.00 C ATOM 0 H VAL A 37 -2.356 -15.129 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.613 -13.857 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.369 -16.295 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.117 -17.245 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.436 -16.780 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.409 -15.752 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.175 -16.015 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.521 -14.463 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.273 -14.654 0.137 1.00 0.00 H new ATOM 543 N HIS A 38 -1.551 -12.471 -1.793 1.00 0.00 N ATOM 544 CA HIS A 38 -0.431 -11.534 -1.741 1.00 0.00 C ATOM 545 C HIS A 38 -0.087 -11.165 -0.306 1.00 0.00 C ATOM 546 O HIS A 38 -0.961 -11.075 0.554 1.00 0.00 O ATOM 547 CB HIS A 38 -0.746 -10.268 -2.534 1.00 0.00 C ATOM 548 CG HIS A 38 0.454 -9.410 -2.790 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.778 -8.180 -2.323 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.493 -9.791 -3.613 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 1.994 -7.846 -2.868 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.404 -8.834 -3.642 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.325 -12.237 -1.171 1.00 0.00 H new ATOM 0 HA HIS A 38 0.430 -12.030 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.193 -10.548 -3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.491 -9.685 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.553 -10.726 -4.150 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.528 -6.924 -2.692 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.275 -8.855 -4.172 1.00 0.00 H new ATOM 561 N THR A 39 1.196 -10.947 -0.059 1.00 0.00 N ATOM 562 CA THR A 39 1.673 -10.581 1.271 1.00 0.00 C ATOM 563 C THR A 39 2.527 -9.318 1.213 1.00 0.00 C ATOM 564 O THR A 39 3.387 -9.179 0.345 1.00 0.00 O ATOM 565 CB THR A 39 2.479 -11.729 1.880 1.00 0.00 C ATOM 566 OG1 THR A 39 1.724 -12.927 1.879 1.00 0.00 O ATOM 567 CG2 THR A 39 2.917 -11.462 3.303 1.00 0.00 C ATOM 0 H THR A 39 1.930 -11.017 -0.764 1.00 0.00 H new ATOM 0 HA THR A 39 0.805 -10.383 1.900 1.00 0.00 H new ATOM 0 HB THR A 39 3.367 -11.823 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.257 -13.650 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.484 -12.315 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.544 -10.570 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.039 -11.308 3.931 1.00 0.00 H new ATOM 575 N VAL A 40 2.285 -8.399 2.144 1.00 0.00 N ATOM 576 CA VAL A 40 3.034 -7.147 2.195 1.00 0.00 C ATOM 577 C VAL A 40 3.557 -6.864 3.595 1.00 0.00 C ATOM 578 O VAL A 40 2.862 -7.080 4.587 1.00 0.00 O ATOM 579 CB VAL A 40 2.179 -5.941 1.757 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.969 -4.643 1.906 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.689 -6.115 0.329 1.00 0.00 C ATOM 0 H VAL A 40 1.577 -8.497 2.872 1.00 0.00 H new ATOM 0 HA VAL A 40 3.867 -7.274 1.503 1.00 0.00 H new ATOM 0 HB VAL A 40 1.306 -5.887 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.350 -3.802 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.259 -4.511 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.863 -4.688 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.088 -5.252 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.544 -6.200 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.083 -7.018 0.260 1.00 0.00 H new ATOM 591 N VAL A 41 4.774 -6.345 3.661 1.00 0.00 N ATOM 592 CA VAL A 41 5.378 -5.989 4.934 1.00 0.00 C ATOM 593 C VAL A 41 4.922 -4.584 5.324 1.00 0.00 C ATOM 594 O VAL A 41 5.182 -3.616 4.610 1.00 0.00 O ATOM 595 CB VAL A 41 6.923 -6.053 4.859 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.419 -5.452 3.553 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.575 -5.372 6.060 1.00 0.00 C ATOM 0 H VAL A 41 5.362 -6.161 2.848 1.00 0.00 H new ATOM 0 HA VAL A 41 5.057 -6.705 5.691 1.00 0.00 H new ATOM 0 HB VAL A 41 7.214 -7.103 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.507 -5.506 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.001 -6.009 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.105 -4.410 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.659 -5.438 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.276 -4.324 6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.255 -5.867 6.977 1.00 0.00 H new ATOM 607 N LEU A 42 4.220 -4.485 6.447 1.00 0.00 N ATOM 608 CA LEU A 42 3.702 -3.204 6.912 1.00 0.00 C ATOM 609 C LEU A 42 4.799 -2.329 7.515 1.00 0.00 C ATOM 610 O LEU A 42 4.721 -1.101 7.468 1.00 0.00 O ATOM 611 CB LEU A 42 2.593 -3.427 7.942 1.00 0.00 C ATOM 612 CG LEU A 42 1.447 -4.329 7.477 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.343 -4.369 8.523 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.900 -3.857 6.136 1.00 0.00 C ATOM 0 H LEU A 42 3.997 -5.275 7.052 1.00 0.00 H new ATOM 0 HA LEU A 42 3.298 -2.681 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.034 -3.860 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.181 -2.458 8.225 1.00 0.00 H new ATOM 0 HG LEU A 42 1.836 -5.339 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.464 -5.015 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.743 -4.759 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.042 -3.362 8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.086 -4.512 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.528 -2.837 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.694 -3.884 5.390 1.00 0.00 H new ATOM 626 N SER A 43 5.810 -2.966 8.096 1.00 0.00 N ATOM 627 CA SER A 43 6.912 -2.243 8.727 1.00 0.00 C ATOM 628 C SER A 43 7.579 -1.260 7.769 1.00 0.00 C ATOM 629 O SER A 43 8.234 -0.312 8.201 1.00 0.00 O ATOM 630 CB SER A 43 7.949 -3.229 9.264 1.00 0.00 C ATOM 631 OG SER A 43 9.165 -2.573 9.578 1.00 0.00 O ATOM 0 H SER A 43 5.891 -3.982 8.144 1.00 0.00 H new ATOM 0 HA SER A 43 6.492 -1.666 9.551 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.559 -3.723 10.154 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.133 -4.007 8.523 1.00 0.00 H new ATOM 0 HG SER A 43 9.228 -2.448 10.548 1.00 0.00 H new ATOM 637 N THR A 44 7.418 -1.488 6.472 1.00 0.00 N ATOM 638 CA THR A 44 8.019 -0.613 5.465 1.00 0.00 C ATOM 639 C THR A 44 7.082 0.533 5.100 1.00 0.00 C ATOM 640 O THR A 44 7.521 1.576 4.614 1.00 0.00 O ATOM 641 CB THR A 44 8.393 -1.404 4.206 1.00 0.00 C ATOM 642 OG1 THR A 44 7.421 -1.232 3.189 1.00 0.00 O ATOM 643 CG2 THR A 44 8.535 -2.888 4.448 1.00 0.00 C ATOM 0 H THR A 44 6.880 -2.266 6.091 1.00 0.00 H new ATOM 0 HA THR A 44 8.927 -0.192 5.898 1.00 0.00 H new ATOM 0 HB THR A 44 9.360 -1.004 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.683 -1.745 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.800 -3.385 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.316 -3.063 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.591 -3.289 4.816 1.00 0.00 H new ATOM 651 N ILE A 45 5.791 0.333 5.329 1.00 0.00 N ATOM 652 CA ILE A 45 4.793 1.350 5.015 1.00 0.00 C ATOM 653 C ILE A 45 5.207 2.715 5.556 1.00 0.00 C ATOM 654 O ILE A 45 5.157 2.960 6.761 1.00 0.00 O ATOM 655 CB ILE A 45 3.407 0.968 5.573 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.950 -0.355 4.965 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.391 2.066 5.289 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.772 -0.298 3.464 1.00 0.00 C ATOM 0 H ILE A 45 5.409 -0.523 5.731 1.00 0.00 H new ATOM 0 HA ILE A 45 4.727 1.408 3.929 1.00 0.00 H new ATOM 0 HB ILE A 45 3.485 0.852 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.679 -1.129 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.007 -0.650 5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.420 1.776 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.717 2.994 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.308 2.215 4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.446 -1.272 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.022 0.452 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.720 -0.033 2.995 1.00 0.00 H new ATOM 670 N ASP A 46 5.620 3.595 4.652 1.00 0.00 N ATOM 671 CA ASP A 46 6.048 4.934 5.025 1.00 0.00 C ATOM 672 C ASP A 46 4.941 5.957 4.793 1.00 0.00 C ATOM 673 O ASP A 46 4.966 7.045 5.369 1.00 0.00 O ATOM 674 CB ASP A 46 7.291 5.332 4.225 1.00 0.00 C ATOM 675 CG ASP A 46 8.037 6.494 4.850 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.771 6.804 6.031 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.887 7.094 4.160 1.00 0.00 O ATOM 0 H ASP A 46 5.667 3.402 3.651 1.00 0.00 H new ATOM 0 HA ASP A 46 6.286 4.922 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.960 4.475 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.996 5.598 3.210 1.00 0.00 H new ATOM 682 N LYS A 47 3.969 5.615 3.948 1.00 0.00 N ATOM 683 CA LYS A 47 2.870 6.528 3.660 1.00 0.00 C ATOM 684 C LYS A 47 1.623 5.775 3.218 1.00 0.00 C ATOM 685 O LYS A 47 1.687 4.889 2.366 1.00 0.00 O ATOM 686 CB LYS A 47 3.283 7.535 2.581 1.00 0.00 C ATOM 687 CG LYS A 47 4.428 8.442 3.001 1.00 0.00 C ATOM 688 CD LYS A 47 4.727 9.488 1.940 1.00 0.00 C ATOM 689 CE LYS A 47 5.958 10.305 2.294 1.00 0.00 C ATOM 690 NZ LYS A 47 7.110 9.441 2.674 1.00 0.00 N ATOM 0 H LYS A 47 3.922 4.722 3.457 1.00 0.00 H new ATOM 0 HA LYS A 47 2.634 7.064 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.572 6.992 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.421 8.149 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.177 8.936 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.320 7.843 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.878 8.999 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.869 10.151 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.237 10.928 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.722 10.978 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.987 9.999 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.966 9.074 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.183 8.646 2.007 1.00 0.00 H new ATOM 704 N LEU A 48 0.487 6.141 3.801 1.00 0.00 N ATOM 705 CA LEU A 48 -0.782 5.511 3.469 1.00 0.00 C ATOM 706 C LEU A 48 -1.656 6.458 2.656 1.00 0.00 C ATOM 707 O LEU A 48 -1.940 7.578 3.083 1.00 0.00 O ATOM 708 CB LEU A 48 -1.517 5.089 4.742 1.00 0.00 C ATOM 709 CG LEU A 48 -0.887 3.917 5.495 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.597 3.697 6.822 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.933 2.656 4.647 1.00 0.00 C ATOM 0 H LEU A 48 0.421 6.873 4.508 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.575 4.625 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.570 5.946 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.542 4.825 4.481 1.00 0.00 H new ATOM 0 HG LEU A 48 0.157 4.155 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.137 2.859 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.515 4.596 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.649 3.477 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.481 1.831 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.969 2.412 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.382 2.820 3.721 1.00 0.00 H new ATOM 723 N GLN A 49 -2.081 6.002 1.485 1.00 0.00 N ATOM 724 CA GLN A 49 -2.925 6.807 0.612 1.00 0.00 C ATOM 725 C GLN A 49 -4.311 6.186 0.483 1.00 0.00 C ATOM 726 O GLN A 49 -4.444 4.977 0.299 1.00 0.00 O ATOM 727 CB GLN A 49 -2.279 6.946 -0.768 1.00 0.00 C ATOM 728 CG GLN A 49 -2.325 8.362 -1.322 1.00 0.00 C ATOM 729 CD GLN A 49 -1.288 8.599 -2.402 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.656 9.654 -2.449 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.109 7.617 -3.277 1.00 0.00 N ATOM 0 H GLN A 49 -1.855 5.078 1.117 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.030 7.798 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.240 6.622 -0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.782 6.276 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.318 8.558 -1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.167 9.071 -0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.655 6.759 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.425 7.720 -4.027 1.00 0.00 H new ATOM 740 N ALA A 50 -5.341 7.016 0.586 1.00 0.00 N ATOM 741 CA ALA A 50 -6.714 6.538 0.482 1.00 0.00 C ATOM 742 C ALA A 50 -7.590 7.537 -0.264 1.00 0.00 C ATOM 743 O ALA A 50 -7.406 8.749 -0.148 1.00 0.00 O ATOM 744 CB ALA A 50 -7.281 6.260 1.867 1.00 0.00 C ATOM 0 H ALA A 50 -5.253 8.020 0.741 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.708 5.609 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.307 5.904 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.676 5.501 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.267 7.177 2.457 1.00 0.00 H new ATOM 750 N THR A 51 -8.543 7.020 -1.031 1.00 0.00 N ATOM 751 CA THR A 51 -9.450 7.864 -1.798 1.00 0.00 C ATOM 752 C THR A 51 -10.506 8.492 -0.888 1.00 0.00 C ATOM 753 O THR A 51 -11.147 7.796 -0.100 1.00 0.00 O ATOM 754 CB THR A 51 -10.128 7.047 -2.899 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.833 5.951 -2.346 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.156 6.500 -3.924 1.00 0.00 C ATOM 0 H THR A 51 -8.707 6.019 -1.138 1.00 0.00 H new ATOM 0 HA THR A 51 -8.868 8.664 -2.255 1.00 0.00 H new ATOM 0 HB THR A 51 -10.805 7.740 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.252 6.223 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.702 5.931 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.631 7.326 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.434 5.849 -3.430 1.00 0.00 H new ATOM 764 N PRO A 52 -10.701 9.820 -0.977 1.00 0.00 N ATOM 765 CA PRO A 52 -11.684 10.530 -0.152 1.00 0.00 C ATOM 766 C PRO A 52 -13.118 10.133 -0.487 1.00 0.00 C ATOM 767 O PRO A 52 -13.410 9.702 -1.603 1.00 0.00 O ATOM 768 CB PRO A 52 -11.445 12.004 -0.489 1.00 0.00 C ATOM 769 CG PRO A 52 -10.806 11.989 -1.834 1.00 0.00 C ATOM 770 CD PRO A 52 -9.982 10.734 -1.886 1.00 0.00 C ATOM 0 HA PRO A 52 -11.564 10.299 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.380 12.563 -0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.800 12.479 0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.558 11.995 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.183 12.871 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.924 10.332 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.959 10.910 -1.554 1.00 0.00 H new ATOM 778 N ALA A 53 -14.011 10.280 0.487 1.00 0.00 N ATOM 779 CA ALA A 53 -15.415 9.937 0.297 1.00 0.00 C ATOM 780 C ALA A 53 -16.041 10.777 -0.812 1.00 0.00 C ATOM 781 O ALA A 53 -16.904 10.304 -1.550 1.00 0.00 O ATOM 782 CB ALA A 53 -16.183 10.121 1.598 1.00 0.00 C ATOM 0 H ALA A 53 -13.786 10.635 1.417 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.471 8.890 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.230 9.861 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.759 9.474 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.111 11.160 1.919 1.00 0.00 H new ATOM 788 N SER A 54 -15.599 12.026 -0.923 1.00 0.00 N ATOM 789 CA SER A 54 -16.116 12.931 -1.943 1.00 0.00 C ATOM 790 C SER A 54 -15.887 12.367 -3.341 1.00 0.00 C ATOM 791 O SER A 54 -16.634 12.661 -4.273 1.00 0.00 O ATOM 792 CB SER A 54 -15.458 14.306 -1.820 1.00 0.00 C ATOM 793 OG SER A 54 -15.623 14.835 -0.516 1.00 0.00 O ATOM 0 H SER A 54 -14.885 12.434 -0.320 1.00 0.00 H new ATOM 0 HA SER A 54 -17.189 13.036 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.396 14.227 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.894 14.988 -2.550 1.00 0.00 H new ATOM 0 HG SER A 54 -15.192 15.714 -0.462 1.00 0.00 H new ATOM 799 N SER A 55 -14.847 11.555 -3.474 1.00 0.00 N ATOM 800 CA SER A 55 -14.510 10.944 -4.747 1.00 0.00 C ATOM 801 C SER A 55 -15.345 9.698 -4.990 1.00 0.00 C ATOM 802 O SER A 55 -15.293 8.738 -4.219 1.00 0.00 O ATOM 803 CB SER A 55 -13.023 10.591 -4.791 1.00 0.00 C ATOM 804 OG SER A 55 -12.220 11.756 -4.727 1.00 0.00 O ATOM 0 H SER A 55 -14.220 11.305 -2.709 1.00 0.00 H new ATOM 0 HA SER A 55 -14.728 11.665 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.778 9.931 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.803 10.044 -5.708 1.00 0.00 H new ATOM 0 HG SER A 55 -12.046 12.084 -5.634 1.00 0.00 H new ATOM 810 N GLU A 56 -16.107 9.713 -6.077 1.00 0.00 N ATOM 811 CA GLU A 56 -16.944 8.579 -6.436 1.00 0.00 C ATOM 812 C GLU A 56 -16.096 7.323 -6.613 1.00 0.00 C ATOM 813 O GLU A 56 -16.613 6.206 -6.598 1.00 0.00 O ATOM 814 CB GLU A 56 -17.708 8.874 -7.725 1.00 0.00 C ATOM 815 CG GLU A 56 -18.678 10.038 -7.605 1.00 0.00 C ATOM 816 CD GLU A 56 -19.473 10.270 -8.877 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.109 9.688 -9.920 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.459 11.035 -8.829 1.00 0.00 O ATOM 0 H GLU A 56 -16.161 10.499 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.657 8.410 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.994 9.088 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.259 7.982 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.366 9.849 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.124 10.943 -7.357 1.00 0.00 H new ATOM 825 N LYS A 57 -14.791 7.516 -6.783 1.00 0.00 N ATOM 826 CA LYS A 57 -13.876 6.394 -6.966 1.00 0.00 C ATOM 827 C LYS A 57 -13.439 5.813 -5.622 1.00 0.00 C ATOM 828 O LYS A 57 -13.342 6.525 -4.624 1.00 0.00 O ATOM 829 CB LYS A 57 -12.664 6.809 -7.803 1.00 0.00 C ATOM 830 CG LYS A 57 -12.004 8.087 -7.334 1.00 0.00 C ATOM 831 CD LYS A 57 -11.411 7.912 -5.952 1.00 0.00 C ATOM 832 CE LYS A 57 -10.073 8.623 -5.820 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.090 9.972 -6.454 1.00 0.00 N ATOM 0 H LYS A 57 -14.345 8.433 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.410 5.613 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.929 6.004 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.976 6.932 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.222 8.376 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.735 8.895 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.105 8.301 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.281 6.850 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.818 8.722 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.293 8.016 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.655 10.664 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.554 9.944 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.073 10.251 -6.650 1.00 0.00 H new ATOM 847 N MET A 58 -13.192 4.506 -5.610 1.00 0.00 N ATOM 848 CA MET A 58 -12.781 3.806 -4.396 1.00 0.00 C ATOM 849 C MET A 58 -11.407 3.167 -4.581 1.00 0.00 C ATOM 850 O MET A 58 -11.184 2.438 -5.549 1.00 0.00 O ATOM 851 CB MET A 58 -13.806 2.725 -4.045 1.00 0.00 C ATOM 852 CG MET A 58 -15.251 3.154 -4.254 1.00 0.00 C ATOM 853 SD MET A 58 -15.941 3.988 -2.812 1.00 0.00 S ATOM 854 CE MET A 58 -15.800 2.690 -1.589 1.00 0.00 C ATOM 0 H MET A 58 -13.270 3.907 -6.432 1.00 0.00 H new ATOM 0 HA MET A 58 -12.724 4.531 -3.584 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.609 1.841 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.671 2.434 -3.003 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.308 3.819 -5.116 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.856 2.278 -4.487 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.790 2.295 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.171 1.890 -1.979 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.353 3.093 -0.680 1.00 0.00 H new ATOM 864 N MET A 59 -10.486 3.431 -3.654 1.00 0.00 N ATOM 865 CA MET A 59 -9.144 2.859 -3.746 1.00 0.00 C ATOM 866 C MET A 59 -8.250 3.286 -2.583 1.00 0.00 C ATOM 867 O MET A 59 -8.556 4.230 -1.856 1.00 0.00 O ATOM 868 CB MET A 59 -8.488 3.256 -5.069 1.00 0.00 C ATOM 869 CG MET A 59 -7.668 2.143 -5.700 1.00 0.00 C ATOM 870 SD MET A 59 -6.127 2.738 -6.420 1.00 0.00 S ATOM 871 CE MET A 59 -6.702 4.205 -7.270 1.00 0.00 C ATOM 0 H MET A 59 -10.641 4.029 -2.842 1.00 0.00 H new ATOM 0 HA MET A 59 -9.256 1.776 -3.698 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.263 3.567 -5.770 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.844 4.120 -4.901 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.444 1.389 -4.945 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.261 1.654 -6.473 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.058 4.405 -8.126 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.725 4.049 -7.613 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.674 5.055 -6.588 1.00 0.00 H new ATOM 881 N LEU A 60 -7.134 2.575 -2.432 1.00 0.00 N ATOM 882 CA LEU A 60 -6.161 2.853 -1.378 1.00 0.00 C ATOM 883 C LEU A 60 -4.757 2.498 -1.864 1.00 0.00 C ATOM 884 O LEU A 60 -4.562 1.467 -2.510 1.00 0.00 O ATOM 885 CB LEU A 60 -6.497 2.058 -0.115 1.00 0.00 C ATOM 886 CG LEU A 60 -6.137 2.749 1.201 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.005 2.226 2.336 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.663 2.553 1.516 1.00 0.00 C ATOM 0 H LEU A 60 -6.880 1.793 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.199 3.915 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.565 1.842 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.978 1.100 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.326 3.817 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.733 2.730 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.054 2.420 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.850 1.153 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.422 3.051 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.448 1.488 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.060 2.980 0.715 1.00 0.00 H new ATOM 900 N ARG A 61 -3.785 3.355 -1.569 1.00 0.00 N ATOM 901 CA ARG A 61 -2.409 3.119 -2.002 1.00 0.00 C ATOM 902 C ARG A 61 -1.433 3.101 -0.825 1.00 0.00 C ATOM 903 O ARG A 61 -1.377 4.042 -0.034 1.00 0.00 O ATOM 904 CB ARG A 61 -1.988 4.195 -3.006 1.00 0.00 C ATOM 905 CG ARG A 61 -1.377 3.636 -4.281 1.00 0.00 C ATOM 906 CD ARG A 61 0.141 3.740 -4.264 1.00 0.00 C ATOM 907 NE ARG A 61 0.700 3.794 -5.613 1.00 0.00 N ATOM 908 CZ ARG A 61 0.680 4.881 -6.380 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.135 6.007 -5.935 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.210 4.843 -7.595 1.00 0.00 N ATOM 0 H ARG A 61 -3.921 4.214 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.377 2.137 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.858 4.798 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.268 4.861 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.670 2.593 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.770 4.177 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.437 4.632 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.557 2.884 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 61 1.131 2.949 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.272 6.042 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.123 6.837 -6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.632 3.981 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.195 5.676 -8.184 1.00 0.00 H new ATOM 924 N LEU A 62 -0.652 2.027 -0.734 1.00 0.00 N ATOM 925 CA LEU A 62 0.343 1.879 0.325 1.00 0.00 C ATOM 926 C LEU A 62 1.726 2.242 -0.204 1.00 0.00 C ATOM 927 O LEU A 62 2.075 1.900 -1.333 1.00 0.00 O ATOM 928 CB LEU A 62 0.355 0.440 0.850 1.00 0.00 C ATOM 929 CG LEU A 62 -0.842 0.025 1.715 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.084 0.836 1.370 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.118 -1.461 1.543 1.00 0.00 C ATOM 0 H LEU A 62 -0.690 1.243 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 62 0.081 2.551 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.412 -0.236 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.265 0.295 1.432 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.592 0.225 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.914 0.517 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.886 1.894 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.343 0.678 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.969 -1.747 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.342 -1.671 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.241 -2.032 1.848 1.00 0.00 H new ATOM 943 N ILE A 63 2.507 2.938 0.611 1.00 0.00 N ATOM 944 CA ILE A 63 3.847 3.345 0.210 1.00 0.00 C ATOM 945 C ILE A 63 4.902 2.741 1.126 1.00 0.00 C ATOM 946 O ILE A 63 4.823 2.871 2.345 1.00 0.00 O ATOM 947 CB ILE A 63 4.001 4.876 0.223 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.763 5.552 -0.393 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.279 5.276 -0.504 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.991 6.146 -1.767 1.00 0.00 C ATOM 0 H ILE A 63 2.237 3.232 1.550 1.00 0.00 H new ATOM 0 HA ILE A 63 3.992 2.979 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 63 4.078 5.218 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.958 4.819 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.423 6.341 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.381 6.361 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.137 4.825 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.234 4.929 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.067 6.601 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.771 6.905 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.299 5.360 -2.457 1.00 0.00 H new ATOM 962 N GLY A 64 5.894 2.089 0.530 1.00 0.00 N ATOM 963 CA GLY A 64 6.955 1.482 1.312 1.00 0.00 C ATOM 964 C GLY A 64 8.170 2.382 1.427 1.00 0.00 C ATOM 965 O GLY A 64 8.379 3.262 0.591 1.00 0.00 O ATOM 0 H GLY A 64 5.982 1.970 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.581 1.250 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.247 0.537 0.853 1.00 0.00 H new ATOM 969 N LYS A 65 8.973 2.165 2.465 1.00 0.00 N ATOM 970 CA LYS A 65 10.172 2.966 2.683 1.00 0.00 C ATOM 971 C LYS A 65 11.114 2.878 1.485 1.00 0.00 C ATOM 972 O LYS A 65 11.051 1.931 0.702 1.00 0.00 O ATOM 973 CB LYS A 65 10.896 2.504 3.949 1.00 0.00 C ATOM 974 CG LYS A 65 10.028 2.546 5.196 1.00 0.00 C ATOM 975 CD LYS A 65 10.826 2.961 6.420 1.00 0.00 C ATOM 976 CE LYS A 65 9.920 3.488 7.522 1.00 0.00 C ATOM 977 NZ LYS A 65 9.626 2.448 8.546 1.00 0.00 N ATOM 0 H LYS A 65 8.815 1.442 3.167 1.00 0.00 H new ATOM 0 HA LYS A 65 9.865 4.005 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.255 1.486 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.773 3.132 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.205 3.244 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.586 1.564 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.395 2.109 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.548 3.729 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.393 4.345 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.986 3.842 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.006 2.848 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.152 1.640 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.515 2.128 8.981 1.00 0.00 H new ATOM 991 N VAL A 66 11.984 3.875 1.351 1.00 0.00 N ATOM 992 CA VAL A 66 12.937 3.913 0.246 1.00 0.00 C ATOM 993 C VAL A 66 14.375 3.967 0.765 1.00 0.00 C ATOM 994 O VAL A 66 14.642 3.651 1.924 1.00 0.00 O ATOM 995 CB VAL A 66 12.659 5.118 -0.687 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.351 6.382 -0.192 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.066 4.799 -2.121 1.00 0.00 C ATOM 0 H VAL A 66 12.049 4.666 1.992 1.00 0.00 H new ATOM 0 HA VAL A 66 12.812 2.996 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 66 11.585 5.306 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.133 7.206 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.988 6.629 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.428 6.217 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.861 5.660 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.131 4.568 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.497 3.940 -2.478 1.00 0.00 H new ATOM 1007 N ASP A 67 15.291 4.370 -0.105 1.00 0.00 N ATOM 1008 CA ASP A 67 16.701 4.473 0.249 1.00 0.00 C ATOM 1009 C ASP A 67 17.481 5.143 -0.877 1.00 0.00 C ATOM 1010 O ASP A 67 18.379 4.545 -1.469 1.00 0.00 O ATOM 1011 CB ASP A 67 17.279 3.087 0.540 1.00 0.00 C ATOM 1012 CG ASP A 67 18.696 3.150 1.077 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.148 4.259 1.433 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.355 2.091 1.141 1.00 0.00 O ATOM 0 H ASP A 67 15.081 4.633 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 67 16.790 5.083 1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.643 2.576 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.266 2.492 -0.373 1.00 0.00 H new ATOM 1019 N GLU A 68 17.127 6.389 -1.170 1.00 0.00 N ATOM 1020 CA GLU A 68 17.785 7.145 -2.231 1.00 0.00 C ATOM 1021 C GLU A 68 19.284 7.262 -1.978 1.00 0.00 C ATOM 1022 O GLU A 68 20.060 7.509 -2.900 1.00 0.00 O ATOM 1023 CB GLU A 68 17.165 8.536 -2.358 1.00 0.00 C ATOM 1024 CG GLU A 68 15.682 8.512 -2.692 1.00 0.00 C ATOM 1025 CD GLU A 68 15.107 9.902 -2.897 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.795 10.887 -2.558 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.965 10.004 -3.395 1.00 0.00 O ATOM 0 H GLU A 68 16.387 6.898 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 68 17.639 6.604 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.310 9.076 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.694 9.092 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.526 7.922 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.140 8.014 -1.888 1.00 0.00 H new ATOM 1034 N SER A 69 19.688 7.080 -0.725 1.00 0.00 N ATOM 1035 CA SER A 69 21.097 7.162 -0.358 1.00 0.00 C ATOM 1036 C SER A 69 21.931 6.163 -1.155 1.00 0.00 C ATOM 1037 O SER A 69 23.150 6.302 -1.258 1.00 0.00 O ATOM 1038 CB SER A 69 21.269 6.909 1.141 1.00 0.00 C ATOM 1039 OG SER A 69 20.495 7.817 1.905 1.00 0.00 O ATOM 0 H SER A 69 19.060 6.875 0.052 1.00 0.00 H new ATOM 0 HA SER A 69 21.449 8.166 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.973 5.887 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.321 7.006 1.411 1.00 0.00 H new ATOM 0 HG SER A 69 20.622 7.633 2.859 1.00 0.00 H new ATOM 1045 N LYS A 70 21.269 5.155 -1.718 1.00 0.00 N ATOM 1046 CA LYS A 70 21.956 4.136 -2.503 1.00 0.00 C ATOM 1047 C LYS A 70 22.638 4.752 -3.721 1.00 0.00 C ATOM 1048 O LYS A 70 23.802 4.469 -4.002 1.00 0.00 O ATOM 1049 CB LYS A 70 20.971 3.054 -2.949 1.00 0.00 C ATOM 1050 CG LYS A 70 20.356 2.279 -1.795 1.00 0.00 C ATOM 1051 CD LYS A 70 21.396 1.434 -1.077 1.00 0.00 C ATOM 1052 CE LYS A 70 22.026 2.189 0.083 1.00 0.00 C ATOM 1053 NZ LYS A 70 23.499 1.982 0.144 1.00 0.00 N ATOM 0 H LYS A 70 20.260 5.023 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 70 22.721 3.684 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.174 3.517 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.485 2.357 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.900 2.974 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.559 1.637 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.931 0.520 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.172 1.135 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.813 3.253 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.574 1.860 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.898 2.553 0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.701 0.977 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.928 2.272 -0.758 1.00 0.00 H new ATOM 1067 N LYS A 71 21.904 5.596 -4.440 1.00 0.00 N ATOM 1068 CA LYS A 71 22.438 6.252 -5.627 1.00 0.00 C ATOM 1069 C LYS A 71 22.802 5.227 -6.695 1.00 0.00 C ATOM 1070 O LYS A 71 23.894 4.659 -6.679 1.00 0.00 O ATOM 1071 CB LYS A 71 23.666 7.093 -5.267 1.00 0.00 C ATOM 1072 CG LYS A 71 23.330 8.529 -4.900 1.00 0.00 C ATOM 1073 CD LYS A 71 23.157 9.394 -6.137 1.00 0.00 C ATOM 1074 CE LYS A 71 22.987 10.860 -5.772 1.00 0.00 C ATOM 1075 NZ LYS A 71 24.263 11.616 -5.898 1.00 0.00 N ATOM 0 H LYS A 71 20.938 5.841 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 71 21.665 6.909 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.185 6.624 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.356 7.094 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.414 8.550 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.122 8.941 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.024 9.278 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.288 9.055 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.233 11.310 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.618 10.939 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.081 12.630 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.937 11.281 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.664 11.465 -6.846 1.00 0.00 H new ATOM 1089 N ARG A 72 21.878 4.996 -7.619 1.00 0.00 N ATOM 1090 CA ARG A 72 22.096 4.040 -8.697 1.00 0.00 C ATOM 1091 C ARG A 72 22.416 4.759 -10.002 1.00 0.00 C ATOM 1092 O ARG A 72 22.208 5.965 -10.121 1.00 0.00 O ATOM 1093 CB ARG A 72 20.863 3.153 -8.878 1.00 0.00 C ATOM 1094 CG ARG A 72 20.553 2.286 -7.670 1.00 0.00 C ATOM 1095 CD ARG A 72 21.612 1.213 -7.469 1.00 0.00 C ATOM 1096 NE ARG A 72 21.279 0.314 -6.367 1.00 0.00 N ATOM 1097 CZ ARG A 72 22.082 -0.652 -5.928 1.00 0.00 C ATOM 1098 NH1 ARG A 72 23.268 -0.846 -6.494 1.00 0.00 N ATOM 1099 NH2 ARG A 72 21.702 -1.424 -4.920 1.00 0.00 N ATOM 0 H ARG A 72 20.969 5.458 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 72 22.947 3.414 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.000 3.784 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.012 2.511 -9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.492 2.910 -6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.578 1.817 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.722 0.636 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.574 1.686 -7.273 1.00 0.00 H new ATOM 0 HE ARG A 72 20.377 0.434 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.567 -0.253 -7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.880 -1.588 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.793 -1.278 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.318 -2.164 -4.584 1.00 0.00 H new ATOM 1113 N LYS A 73 22.924 4.014 -10.978 1.00 0.00 N ATOM 1114 CA LYS A 73 23.270 4.590 -12.271 1.00 0.00 C ATOM 1115 C LYS A 73 22.583 3.841 -13.407 1.00 0.00 C ATOM 1116 O LYS A 73 22.398 2.625 -13.344 1.00 0.00 O ATOM 1117 CB LYS A 73 24.785 4.570 -12.478 1.00 0.00 C ATOM 1118 CG LYS A 73 25.551 5.365 -11.434 1.00 0.00 C ATOM 1119 CD LYS A 73 26.608 6.251 -12.074 1.00 0.00 C ATOM 1120 CE LYS A 73 27.828 6.401 -11.178 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.994 6.956 -11.917 1.00 0.00 N ATOM 0 H LYS A 73 23.105 3.013 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 73 22.923 5.623 -12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 73 25.132 3.537 -12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 73 25.014 4.969 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.857 5.980 -10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.025 4.681 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.909 5.826 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.184 7.234 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.585 7.054 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 73 28.092 5.430 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.805 7.043 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 29.243 6.320 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.751 7.894 -12.295 1.00 0.00 H new ATOM 1135 N ASP A 74 22.208 4.577 -14.449 1.00 0.00 N ATOM 1136 CA ASP A 74 21.545 3.986 -15.605 1.00 0.00 C ATOM 1137 C ASP A 74 22.567 3.437 -16.596 1.00 0.00 C ATOM 1138 O ASP A 74 23.772 3.635 -16.432 1.00 0.00 O ATOM 1139 CB ASP A 74 20.655 5.024 -16.292 1.00 0.00 C ATOM 1140 CG ASP A 74 19.485 4.390 -17.021 1.00 0.00 C ATOM 1141 OD1 ASP A 74 18.488 4.046 -16.353 1.00 0.00 O ATOM 1142 OD2 ASP A 74 19.567 4.241 -18.258 1.00 0.00 O ATOM 0 H ASP A 74 22.352 5.585 -14.516 1.00 0.00 H new ATOM 0 HA ASP A 74 20.925 3.160 -15.256 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.279 5.726 -15.548 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.252 5.599 -17.000 1.00 0.00 H new ATOM 1147 N ASN A 75 22.080 2.747 -17.620 1.00 0.00 N ATOM 1148 CA ASN A 75 22.952 2.168 -18.637 1.00 0.00 C ATOM 1149 C ASN A 75 23.721 3.252 -19.391 1.00 0.00 C ATOM 1150 O ASN A 75 24.724 2.968 -20.045 1.00 0.00 O ATOM 1151 CB ASN A 75 22.133 1.332 -19.621 1.00 0.00 C ATOM 1152 CG ASN A 75 22.849 0.061 -20.033 1.00 0.00 C ATOM 1153 OD1 ASN A 75 22.238 -1.004 -20.141 1.00 0.00 O ATOM 1154 ND2 ASN A 75 24.152 0.164 -20.270 1.00 0.00 N ATOM 0 H ASN A 75 21.086 2.574 -17.769 1.00 0.00 H new ATOM 0 HA ASN A 75 23.674 1.526 -18.132 1.00 0.00 H new ATOM 0 HB2 ASN A 75 21.176 1.076 -19.167 1.00 0.00 H new ATOM 0 HB3 ASN A 75 21.916 1.928 -20.508 1.00 0.00 H new ATOM 0 HD21 ASN A 75 24.685 -0.658 -20.553 1.00 0.00 H new ATOM 0 HD22 ASN A 75 24.619 1.065 -20.169 1.00 0.00 H new ATOM 1161 N GLU A 76 23.249 4.491 -19.299 1.00 0.00 N ATOM 1162 CA GLU A 76 23.897 5.608 -19.978 1.00 0.00 C ATOM 1163 C GLU A 76 24.998 6.224 -19.115 1.00 0.00 C ATOM 1164 O GLU A 76 25.566 7.257 -19.470 1.00 0.00 O ATOM 1165 CB GLU A 76 22.863 6.675 -20.341 1.00 0.00 C ATOM 1166 CG GLU A 76 21.755 6.165 -21.247 1.00 0.00 C ATOM 1167 CD GLU A 76 20.787 7.257 -21.658 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.936 7.640 -20.829 1.00 0.00 O ATOM 1169 OE2 GLU A 76 20.883 7.731 -22.809 1.00 0.00 O ATOM 0 H GLU A 76 22.421 4.747 -18.761 1.00 0.00 H new ATOM 0 HA GLU A 76 24.356 5.223 -20.889 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.421 7.067 -19.425 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.368 7.507 -20.832 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.196 5.721 -22.140 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.208 5.374 -20.735 1.00 0.00 H new ATOM 1176 N GLY A 77 25.297 5.591 -17.983 1.00 0.00 N ATOM 1177 CA GLY A 77 26.329 6.103 -17.101 1.00 0.00 C ATOM 1178 C GLY A 77 25.830 7.218 -16.198 1.00 0.00 C ATOM 1179 O GLY A 77 26.583 7.739 -15.375 1.00 0.00 O ATOM 0 H GLY A 77 24.844 4.735 -17.663 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.713 5.288 -16.487 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.162 6.471 -17.699 1.00 0.00 H new ATOM 1183 N ASN A 78 24.560 7.587 -16.349 1.00 0.00 N ATOM 1184 CA ASN A 78 23.972 8.645 -15.537 1.00 0.00 C ATOM 1185 C ASN A 78 23.490 8.095 -14.199 1.00 0.00 C ATOM 1186 O ASN A 78 23.270 6.894 -14.056 1.00 0.00 O ATOM 1187 CB ASN A 78 22.808 9.300 -16.281 1.00 0.00 C ATOM 1188 CG ASN A 78 23.213 9.821 -17.646 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.489 9.404 -18.677 1.00 0.00 O flip ATOM 1190 ND2 ASN A 78 24.169 10.588 -17.772 1.00 0.00 N flip ATOM 0 H ASN A 78 23.921 7.169 -17.025 1.00 0.00 H new ATOM 0 HA ASN A 78 24.740 9.395 -15.348 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.001 8.576 -16.396 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.415 10.123 -15.683 1.00 0.00 H new ATOM 0 HD21 ASN A 78 24.698 10.883 -16.951 1.00 0.00 H new ATOM 0 HD22 ASN A 78 24.431 10.928 -18.697 1.00 0.00 H new ATOM 1197 N GLU A 79 23.330 8.980 -13.221 1.00 0.00 N ATOM 1198 CA GLU A 79 22.876 8.578 -11.895 1.00 0.00 C ATOM 1199 C GLU A 79 21.368 8.768 -11.756 1.00 0.00 C ATOM 1200 O GLU A 79 20.790 9.681 -12.348 1.00 0.00 O ATOM 1201 CB GLU A 79 23.605 9.381 -10.817 1.00 0.00 C ATOM 1202 CG GLU A 79 25.110 9.168 -10.813 1.00 0.00 C ATOM 1203 CD GLU A 79 25.805 9.924 -9.697 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.157 10.791 -9.073 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.997 9.648 -9.446 1.00 0.00 O ATOM 0 H GLU A 79 23.508 9.979 -13.321 1.00 0.00 H new ATOM 0 HA GLU A 79 23.105 7.520 -11.765 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.397 10.441 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.205 9.109 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.322 8.104 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.520 9.485 -11.772 1.00 0.00 H new ATOM 1212 N VAL A 80 20.737 7.902 -10.971 1.00 0.00 N ATOM 1213 CA VAL A 80 19.297 7.975 -10.755 1.00 0.00 C ATOM 1214 C VAL A 80 18.941 7.674 -9.309 1.00 0.00 C ATOM 1215 O VAL A 80 19.652 6.958 -8.606 1.00 0.00 O ATOM 1216 CB VAL A 80 18.520 7.015 -11.692 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.357 5.792 -12.035 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.182 6.596 -11.086 1.00 0.00 C ATOM 0 H VAL A 80 21.200 7.141 -10.474 1.00 0.00 H new ATOM 0 HA VAL A 80 19.000 8.997 -10.990 1.00 0.00 H new ATOM 0 HB VAL A 80 18.312 7.560 -12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.789 5.135 -12.693 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.272 6.106 -12.538 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.611 5.257 -11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.667 5.924 -11.772 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.356 6.085 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.568 7.480 -10.914 1.00 0.00 H new ATOM 1228 N VAL A 81 17.825 8.241 -8.891 1.00 0.00 N ATOM 1229 CA VAL A 81 17.322 8.068 -7.544 1.00 0.00 C ATOM 1230 C VAL A 81 16.156 7.078 -7.527 1.00 0.00 C ATOM 1231 O VAL A 81 15.028 7.434 -7.862 1.00 0.00 O ATOM 1232 CB VAL A 81 16.870 9.422 -6.977 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.860 10.083 -7.905 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.308 9.268 -5.572 1.00 0.00 C ATOM 0 H VAL A 81 17.241 8.836 -9.479 1.00 0.00 H new ATOM 0 HA VAL A 81 18.123 7.668 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 81 17.743 10.071 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.553 11.041 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.315 10.244 -8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.988 9.438 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.996 10.242 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.450 8.596 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.075 8.855 -4.917 1.00 0.00 H new ATOM 1244 N PRO A 82 16.415 5.815 -7.146 1.00 0.00 N ATOM 1245 CA PRO A 82 15.380 4.781 -7.102 1.00 0.00 C ATOM 1246 C PRO A 82 14.105 5.260 -6.416 1.00 0.00 C ATOM 1247 O PRO A 82 14.154 6.046 -5.471 1.00 0.00 O ATOM 1248 CB PRO A 82 16.036 3.663 -6.295 1.00 0.00 C ATOM 1249 CG PRO A 82 17.493 3.816 -6.557 1.00 0.00 C ATOM 1250 CD PRO A 82 17.733 5.292 -6.738 1.00 0.00 C ATOM 0 HA PRO A 82 15.064 4.478 -8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.812 3.757 -5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.677 2.683 -6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.081 3.425 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.789 3.261 -7.447 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.080 5.757 -5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.492 5.484 -7.496 1.00 0.00 H new ATOM 1258 N LYS A 83 12.966 4.781 -6.903 1.00 0.00 N ATOM 1259 CA LYS A 83 11.676 5.161 -6.341 1.00 0.00 C ATOM 1260 C LYS A 83 11.248 4.190 -5.248 1.00 0.00 C ATOM 1261 O LYS A 83 11.623 3.017 -5.256 1.00 0.00 O ATOM 1262 CB LYS A 83 10.611 5.217 -7.438 1.00 0.00 C ATOM 1263 CG LYS A 83 11.043 6.003 -8.666 1.00 0.00 C ATOM 1264 CD LYS A 83 10.467 5.406 -9.940 1.00 0.00 C ATOM 1265 CE LYS A 83 10.205 6.476 -10.986 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.906 5.886 -12.321 1.00 0.00 N ATOM 0 H LYS A 83 12.910 4.129 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 83 11.782 6.151 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.357 4.200 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.705 5.665 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.718 7.039 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.131 6.015 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.158 4.665 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.538 4.884 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.368 7.097 -10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.075 7.128 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.733 6.649 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.715 5.313 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.061 5.284 -12.253 1.00 0.00 H new ATOM 1280 N PRO A 84 10.468 4.685 -4.277 1.00 0.00 N ATOM 1281 CA PRO A 84 9.988 3.891 -3.142 1.00 0.00 C ATOM 1282 C PRO A 84 8.909 2.891 -3.538 1.00 0.00 C ATOM 1283 O PRO A 84 8.279 3.025 -4.588 1.00 0.00 O ATOM 1284 CB PRO A 84 9.420 4.947 -2.186 1.00 0.00 C ATOM 1285 CG PRO A 84 9.943 6.241 -2.705 1.00 0.00 C ATOM 1286 CD PRO A 84 10.002 6.067 -4.181 1.00 0.00 C ATOM 0 HA PRO A 84 10.782 3.284 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.330 4.933 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.745 4.770 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.290 7.069 -2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.928 6.462 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.030 6.209 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.690 6.769 -4.652 1.00 0.00 H new ATOM 1294 N GLN A 85 8.699 1.888 -2.692 1.00 0.00 N ATOM 1295 CA GLN A 85 7.691 0.867 -2.953 1.00 0.00 C ATOM 1296 C GLN A 85 6.292 1.472 -2.934 1.00 0.00 C ATOM 1297 O GLN A 85 5.975 2.302 -2.082 1.00 0.00 O ATOM 1298 CB GLN A 85 7.788 -0.255 -1.919 1.00 0.00 C ATOM 1299 CG GLN A 85 8.867 -1.278 -2.230 1.00 0.00 C ATOM 1300 CD GLN A 85 9.084 -2.261 -1.097 1.00 0.00 C ATOM 1301 OE1 GLN A 85 8.695 -2.007 0.043 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.708 -3.392 -1.404 1.00 0.00 N ATOM 0 H GLN A 85 9.213 1.760 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 85 7.877 0.452 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.984 0.181 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.826 -0.763 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.594 -1.825 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.803 -0.760 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.014 -3.562 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.882 -4.091 -0.682 1.00 0.00 H new ATOM 1311 N ARG A 86 5.458 1.056 -3.880 1.00 0.00 N ATOM 1312 CA ARG A 86 4.093 1.557 -3.972 1.00 0.00 C ATOM 1313 C ARG A 86 3.123 0.433 -4.325 1.00 0.00 C ATOM 1314 O ARG A 86 3.247 -0.197 -5.376 1.00 0.00 O ATOM 1315 CB ARG A 86 4.009 2.667 -5.022 1.00 0.00 C ATOM 1316 CG ARG A 86 4.337 4.046 -4.475 1.00 0.00 C ATOM 1317 CD ARG A 86 4.995 4.925 -5.529 1.00 0.00 C ATOM 1318 NE ARG A 86 4.262 4.911 -6.794 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.580 4.141 -7.834 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.609 3.305 -7.768 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.862 4.206 -8.949 1.00 0.00 N ATOM 0 H ARG A 86 5.704 0.372 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 86 3.813 1.961 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.694 2.436 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.004 2.682 -5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.424 4.524 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.000 3.949 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.058 5.948 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.016 4.584 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 86 3.456 5.530 -6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.165 3.247 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.843 2.720 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.069 4.844 -9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.104 3.617 -9.746 1.00 0.00 H new ATOM 1335 N HIS A 87 2.158 0.189 -3.445 1.00 0.00 N ATOM 1336 CA HIS A 87 1.165 -0.856 -3.670 1.00 0.00 C ATOM 1337 C HIS A 87 -0.205 -0.248 -3.944 1.00 0.00 C ATOM 1338 O HIS A 87 -0.472 0.894 -3.569 1.00 0.00 O ATOM 1339 CB HIS A 87 1.089 -1.791 -2.460 1.00 0.00 C ATOM 1340 CG HIS A 87 2.416 -2.353 -2.052 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.031 -3.391 -2.720 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.246 -2.018 -1.036 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.181 -3.670 -2.132 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.335 -2.852 -1.108 1.00 0.00 N ATOM 0 H HIS A 87 2.042 0.700 -2.570 1.00 0.00 H new ATOM 0 HA HIS A 87 1.471 -1.432 -4.543 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.660 -1.248 -1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.411 -2.613 -2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.082 -1.240 -0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.877 -4.437 -2.438 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.133 -2.841 -0.473 1.00 0.00 H new ATOM 1353 N MET A 88 -1.070 -1.012 -4.604 1.00 0.00 N ATOM 1354 CA MET A 88 -2.409 -0.535 -4.930 1.00 0.00 C ATOM 1355 C MET A 88 -3.478 -1.516 -4.458 1.00 0.00 C ATOM 1356 O MET A 88 -3.311 -2.733 -4.560 1.00 0.00 O ATOM 1357 CB MET A 88 -2.538 -0.314 -6.438 1.00 0.00 C ATOM 1358 CG MET A 88 -3.860 0.312 -6.851 1.00 0.00 C ATOM 1359 SD MET A 88 -4.149 0.214 -8.628 1.00 0.00 S ATOM 1360 CE MET A 88 -4.485 1.931 -9.012 1.00 0.00 C ATOM 0 H MET A 88 -0.869 -1.960 -4.922 1.00 0.00 H new ATOM 0 HA MET A 88 -2.562 0.411 -4.411 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.722 0.326 -6.774 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.424 -1.271 -6.948 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.674 -0.188 -6.326 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.875 1.357 -6.541 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.055 2.178 -9.983 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.562 2.093 -9.040 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.042 2.568 -8.247 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.577 -0.976 -3.943 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.684 -1.792 -3.456 1.00 0.00 C ATOM 1372 C PHE A 89 -7.004 -1.046 -3.603 1.00 0.00 C ATOM 1373 O PHE A 89 -7.134 0.095 -3.157 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.459 -2.176 -1.993 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.261 -3.057 -1.779 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.368 -4.433 -1.888 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.026 -2.508 -1.471 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.269 -5.246 -1.692 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.922 -3.315 -1.273 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.044 -4.687 -1.384 1.00 0.00 C ATOM 0 H PHE A 89 -4.726 0.029 -3.852 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.729 -2.701 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.342 -1.268 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.346 -2.687 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.323 -4.876 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.925 -1.436 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.367 -6.318 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.966 -2.874 -1.032 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.183 -5.321 -1.230 1.00 0.00 H new ATOM 1390 N SER A 90 -7.982 -1.688 -4.234 1.00 0.00 N ATOM 1391 CA SER A 90 -9.289 -1.072 -4.442 1.00 0.00 C ATOM 1392 C SER A 90 -10.347 -1.695 -3.535 1.00 0.00 C ATOM 1393 O SER A 90 -10.457 -2.916 -3.439 1.00 0.00 O ATOM 1394 CB SER A 90 -9.711 -1.208 -5.905 1.00 0.00 C ATOM 1395 OG SER A 90 -11.077 -0.873 -6.076 1.00 0.00 O ATOM 0 H SER A 90 -7.895 -2.632 -4.610 1.00 0.00 H new ATOM 0 HA SER A 90 -9.204 -0.015 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.094 -0.559 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.539 -2.230 -6.243 1.00 0.00 H new ATOM 0 HG SER A 90 -11.198 0.089 -5.936 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.127 -0.844 -2.876 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.184 -1.306 -1.982 1.00 0.00 C ATOM 1403 C PHE A 91 -13.536 -0.754 -2.418 1.00 0.00 C ATOM 1404 O PHE A 91 -13.613 0.091 -3.311 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.898 -0.875 -0.541 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.501 -1.178 -0.082 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.420 -0.500 -0.618 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.273 -2.137 0.891 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.134 -0.773 -0.193 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.989 -2.415 1.320 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.918 -1.731 0.778 1.00 0.00 C ATOM 0 H PHE A 91 -11.047 0.171 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.211 -2.395 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.075 0.197 -0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.604 -1.372 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.584 0.251 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.107 -2.673 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.299 -0.238 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.823 -3.166 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.914 -1.945 1.113 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.599 -1.228 -1.780 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.946 -0.772 -2.100 1.00 0.00 C ATOM 1423 C ASN A 92 -16.688 -0.336 -0.841 1.00 0.00 C ATOM 1424 O ASN A 92 -17.918 -0.375 -0.789 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.730 -1.873 -2.809 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.014 -2.393 -4.040 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.453 -1.625 -4.820 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.031 -3.709 -4.220 1.00 0.00 N ATOM 0 H ASN A 92 -14.555 -1.927 -1.039 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.859 0.086 -2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.901 -2.697 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.709 -1.490 -3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.567 -4.119 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.508 -4.310 -3.548 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.933 0.081 0.170 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.518 0.527 1.428 1.00 0.00 C ATOM 1437 C ASN A 93 -15.599 1.526 2.120 1.00 0.00 C ATOM 1438 O ASN A 93 -14.458 1.208 2.451 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.778 -0.668 2.348 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.812 -1.622 1.780 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.886 -1.205 1.347 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.489 -2.910 1.780 1.00 0.00 N ATOM 0 H ASN A 93 -14.914 0.119 0.142 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.467 1.017 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.844 -1.205 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.115 -0.308 3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.143 -3.600 1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.587 -3.210 2.149 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.103 2.738 2.335 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.322 3.783 2.987 1.00 0.00 C ATOM 1451 C ARG A 94 -14.802 3.311 4.337 1.00 0.00 C ATOM 1452 O ARG A 94 -13.709 3.684 4.761 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.165 5.048 3.163 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.414 5.799 1.866 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.751 5.418 1.252 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.114 6.296 0.141 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.295 6.270 -0.471 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.233 5.414 -0.082 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.541 7.104 -1.473 1.00 0.00 N ATOM 0 H ARG A 94 -17.046 3.020 2.068 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.468 4.013 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.123 4.777 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.665 5.713 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.392 6.872 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.613 5.583 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.708 4.387 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.527 5.461 2.017 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.420 6.969 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.050 4.772 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.137 5.398 -0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.825 7.765 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.446 7.084 -1.942 1.00 0.00 H new ATOM 1473 N THR A 95 -15.594 2.488 5.003 1.00 0.00 N ATOM 1474 CA THR A 95 -15.238 1.955 6.294 1.00 0.00 C ATOM 1475 C THR A 95 -14.148 0.898 6.170 1.00 0.00 C ATOM 1476 O THR A 95 -13.093 1.007 6.794 1.00 0.00 O ATOM 1477 CB THR A 95 -16.481 1.364 6.932 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.651 1.814 6.270 1.00 0.00 O ATOM 1479 CG2 THR A 95 -16.622 1.710 8.390 1.00 0.00 C ATOM 0 H THR A 95 -16.501 2.174 4.658 1.00 0.00 H new ATOM 0 HA THR A 95 -14.844 2.756 6.919 1.00 0.00 H new ATOM 0 HB THR A 95 -16.366 0.284 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.890 1.180 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.531 1.257 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.760 1.332 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.678 2.793 8.503 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.400 -0.119 5.352 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.425 -1.183 5.144 1.00 0.00 C ATOM 1489 C VAL A 96 -12.133 -0.609 4.580 1.00 0.00 C ATOM 1490 O VAL A 96 -11.038 -0.998 4.984 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.956 -2.265 4.185 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.947 -3.396 4.041 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.297 -2.796 4.671 1.00 0.00 C ATOM 0 H VAL A 96 -15.266 -0.228 4.825 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.237 -1.644 6.114 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.102 -1.814 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.341 -4.150 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.012 -3.001 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.765 -3.848 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.657 -3.560 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.178 -3.230 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.017 -1.979 4.716 1.00 0.00 H new ATOM 1503 N MET A 97 -12.274 0.327 3.650 1.00 0.00 N ATOM 1504 CA MET A 97 -11.125 0.967 3.031 1.00 0.00 C ATOM 1505 C MET A 97 -10.384 1.832 4.045 1.00 0.00 C ATOM 1506 O MET A 97 -9.156 1.906 4.032 1.00 0.00 O ATOM 1507 CB MET A 97 -11.570 1.818 1.838 1.00 0.00 C ATOM 1508 CG MET A 97 -10.462 2.079 0.829 1.00 0.00 C ATOM 1509 SD MET A 97 -10.235 3.834 0.486 1.00 0.00 S ATOM 1510 CE MET A 97 -10.046 4.476 2.147 1.00 0.00 C ATOM 0 H MET A 97 -13.176 0.659 3.309 1.00 0.00 H new ATOM 0 HA MET A 97 -10.448 0.190 2.676 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.398 1.318 1.335 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.949 2.772 2.204 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.528 1.662 1.205 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.692 1.558 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.968 5.563 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.912 4.195 2.747 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.143 4.062 2.597 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.138 2.485 4.926 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.546 3.339 5.947 1.00 0.00 C ATOM 1522 C ASP A 98 -9.941 2.509 7.070 1.00 0.00 C ATOM 1523 O ASP A 98 -8.953 2.905 7.689 1.00 0.00 O ATOM 1524 CB ASP A 98 -11.587 4.308 6.511 1.00 0.00 C ATOM 1525 CG ASP A 98 -11.841 5.487 5.592 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.052 5.683 4.643 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.830 6.216 5.821 1.00 0.00 O ATOM 0 H ASP A 98 -12.157 2.438 4.952 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.749 3.915 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.522 3.774 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.250 4.674 7.481 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.537 1.354 7.325 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.050 0.463 8.374 1.00 0.00 C ATOM 1534 C ASN A 99 -8.611 0.051 8.094 1.00 0.00 C ATOM 1535 O ASN A 99 -7.780 0.007 8.999 1.00 0.00 O ATOM 1536 CB ASN A 99 -10.939 -0.780 8.479 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.335 -0.450 8.968 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.544 0.542 9.666 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.301 -1.285 8.604 1.00 0.00 N ATOM 0 H ASN A 99 -11.356 1.010 6.823 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.085 0.999 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.003 -1.262 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.478 -1.497 9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.261 -1.116 8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.083 -2.096 8.024 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.323 -0.236 6.830 1.00 0.00 N ATOM 1547 CA ILE A 100 -6.982 -0.632 6.421 1.00 0.00 C ATOM 1548 C ILE A 100 -6.005 0.518 6.613 1.00 0.00 C ATOM 1549 O ILE A 100 -4.961 0.365 7.246 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.955 -1.074 4.944 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.028 -2.132 4.685 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.582 -1.606 4.563 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.762 -3.450 5.378 1.00 0.00 C ATOM 0 H ILE A 100 -9.002 -0.202 6.070 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.686 -1.474 7.047 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.167 -0.203 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.993 -1.747 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.104 -2.305 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.588 -1.912 3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.836 -0.825 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.337 -2.463 5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.565 -4.151 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.813 -3.859 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.716 -3.292 6.455 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.359 1.677 6.068 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.523 2.862 6.184 1.00 0.00 C ATOM 1567 C LYS A 101 -5.434 3.312 7.639 1.00 0.00 C ATOM 1568 O LYS A 101 -4.453 3.930 8.054 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.067 3.990 5.292 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.202 4.796 5.911 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.787 6.236 6.170 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.925 7.043 6.773 1.00 0.00 C ATOM 1573 NZ LYS A 101 -7.444 8.314 7.383 1.00 0.00 N ATOM 0 H LYS A 101 -7.221 1.819 5.541 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.517 2.615 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.249 4.668 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.415 3.558 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.066 4.779 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.511 4.331 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.930 6.253 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.467 6.697 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.660 7.267 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.431 6.446 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.251 8.834 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.762 8.100 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.983 8.896 6.655 1.00 0.00 H new ATOM 1587 N MET A 102 -6.468 2.991 8.408 1.00 0.00 N ATOM 1588 CA MET A 102 -6.520 3.352 9.818 1.00 0.00 C ATOM 1589 C MET A 102 -5.664 2.407 10.647 1.00 0.00 C ATOM 1590 O MET A 102 -4.970 2.830 11.572 1.00 0.00 O ATOM 1591 CB MET A 102 -7.964 3.331 10.325 1.00 0.00 C ATOM 1592 CG MET A 102 -8.722 4.620 10.056 1.00 0.00 C ATOM 1593 SD MET A 102 -10.300 4.694 10.926 1.00 0.00 S ATOM 1594 CE MET A 102 -11.119 3.244 10.266 1.00 0.00 C ATOM 0 H MET A 102 -7.285 2.479 8.076 1.00 0.00 H new ATOM 0 HA MET A 102 -6.125 4.363 9.923 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.494 2.503 9.854 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.961 3.138 11.398 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.106 5.468 10.356 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.898 4.717 8.985 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.189 3.310 10.462 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.950 3.188 9.191 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.717 2.350 10.743 1.00 0.00 H new ATOM 1604 N THR A 103 -5.712 1.121 10.310 1.00 0.00 N ATOM 1605 CA THR A 103 -4.935 0.124 11.027 1.00 0.00 C ATOM 1606 C THR A 103 -3.467 0.183 10.609 1.00 0.00 C ATOM 1607 O THR A 103 -2.571 0.036 11.439 1.00 0.00 O ATOM 1608 CB THR A 103 -5.522 -1.268 10.788 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.068 -1.793 11.984 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.511 -2.256 10.276 1.00 0.00 C ATOM 0 H THR A 103 -6.279 0.750 9.548 1.00 0.00 H new ATOM 0 HA THR A 103 -4.984 0.338 12.095 1.00 0.00 H new ATOM 0 HB THR A 103 -6.293 -1.133 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.458 -2.674 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.991 -3.223 10.127 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.105 -1.903 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.704 -2.359 11.001 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.230 0.404 9.322 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.871 0.487 8.805 1.00 0.00 C ATOM 1620 C LEU A 104 -1.118 1.640 9.460 1.00 0.00 C ATOM 1621 O LEU A 104 0.067 1.521 9.774 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.887 0.661 7.285 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.816 -0.639 6.485 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.317 -0.420 5.066 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.392 -1.176 6.474 1.00 0.00 C ATOM 0 H LEU A 104 -3.959 0.529 8.620 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.356 -0.443 9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.796 1.193 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.047 1.293 6.998 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.459 -1.377 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.259 -1.356 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.352 -0.078 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.700 0.332 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.357 -2.102 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.271 -0.441 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.068 -1.370 7.497 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.815 2.754 9.671 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.211 3.923 10.301 1.00 0.00 C ATOM 1639 C GLN A 105 -0.690 3.570 11.686 1.00 0.00 C ATOM 1640 O GLN A 105 0.315 4.111 12.142 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.225 5.067 10.390 1.00 0.00 C ATOM 1642 CG GLN A 105 -1.801 6.317 9.638 1.00 0.00 C ATOM 1643 CD GLN A 105 -0.434 6.818 10.062 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -0.104 6.829 11.248 1.00 0.00 O ATOM 1645 NE2 GLN A 105 0.369 7.237 9.091 1.00 0.00 N ATOM 0 H GLN A 105 -2.796 2.871 9.415 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.372 4.250 9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.182 4.724 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.383 5.320 11.438 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.791 6.107 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.539 7.103 9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.054 7.210 8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.301 7.586 9.315 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.378 2.642 12.337 1.00 0.00 N ATOM 1655 CA GLN A 106 -0.981 2.193 13.663 1.00 0.00 C ATOM 1656 C GLN A 106 0.351 1.461 13.589 1.00 0.00 C ATOM 1657 O GLN A 106 1.149 1.498 14.525 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.051 1.278 14.262 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.396 1.960 14.459 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.386 1.089 15.205 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.883 1.464 16.268 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -4.680 -0.083 14.653 1.00 0.00 N ATOM 0 H GLN A 106 -2.213 2.186 11.968 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.871 3.066 14.307 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.183 0.414 13.611 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.699 0.903 15.223 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.251 2.891 15.008 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.811 2.225 13.487 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.245 -0.355 13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.340 -0.711 15.111 1.00 0.00 H new ATOM 1671 N ILE A 107 0.586 0.803 12.456 1.00 0.00 N ATOM 1672 CA ILE A 107 1.823 0.066 12.236 1.00 0.00 C ATOM 1673 C ILE A 107 2.997 1.022 12.096 1.00 0.00 C ATOM 1674 O ILE A 107 3.971 0.944 12.844 1.00 0.00 O ATOM 1675 CB ILE A 107 1.742 -0.806 10.968 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.391 -1.524 10.880 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.885 -1.808 10.943 1.00 0.00 C ATOM 1678 CD1 ILE A 107 0.007 -2.267 12.139 1.00 0.00 C ATOM 0 H ILE A 107 -0.069 0.767 11.675 1.00 0.00 H new ATOM 0 HA ILE A 107 1.970 -0.579 13.102 1.00 0.00 H new ATOM 0 HB ILE A 107 1.832 -0.154 10.099 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.384 -0.792 10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.419 -2.228 10.049 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.815 -2.417 10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.836 -1.275 10.948 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.825 -2.451 11.821 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.961 -2.748 11.997 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.760 -3.024 12.359 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.055 -1.565 12.971 1.00 0.00 H new ATOM 1690 N ILE A 108 2.888 1.937 11.139 1.00 0.00 N ATOM 1691 CA ILE A 108 3.936 2.926 10.909 1.00 0.00 C ATOM 1692 C ILE A 108 4.294 3.600 12.213 1.00 0.00 C ATOM 1693 O ILE A 108 5.423 3.523 12.693 1.00 0.00 O ATOM 1694 CB ILE A 108 3.507 4.028 9.914 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.654 3.464 8.779 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.728 4.739 9.356 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.690 4.478 8.209 1.00 0.00 C ATOM 0 H ILE A 108 2.088 2.015 10.512 1.00 0.00 H new ATOM 0 HA ILE A 108 4.785 2.388 10.487 1.00 0.00 H new ATOM 0 HB ILE A 108 2.895 4.746 10.460 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.307 3.104 7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.094 2.603 9.145 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.411 5.513 8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.288 5.195 10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.363 4.020 8.838 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.112 4.019 7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.015 4.819 8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.247 5.328 7.815 1.00 0.00 H new ATOM 1709 N SER A 109 3.296 4.250 12.778 1.00 0.00 N ATOM 1710 CA SER A 109 3.453 4.948 14.048 1.00 0.00 C ATOM 1711 C SER A 109 4.064 4.025 15.098 1.00 0.00 C ATOM 1712 O SER A 109 4.760 4.475 16.008 1.00 0.00 O ATOM 1713 CB SER A 109 2.104 5.479 14.538 1.00 0.00 C ATOM 1714 OG SER A 109 1.495 6.302 13.559 1.00 0.00 O ATOM 0 H SER A 109 2.360 4.312 12.378 1.00 0.00 H new ATOM 0 HA SER A 109 4.126 5.791 13.891 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.446 4.644 14.776 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.245 6.046 15.458 1.00 0.00 H new ATOM 0 HG SER A 109 0.998 5.744 12.925 1.00 0.00 H new ATOM 1720 N ARG A 110 3.807 2.729 14.956 1.00 0.00 N ATOM 1721 CA ARG A 110 4.340 1.739 15.885 1.00 0.00 C ATOM 1722 C ARG A 110 5.852 1.649 15.754 1.00 0.00 C ATOM 1723 O ARG A 110 6.572 1.542 16.745 1.00 0.00 O ATOM 1724 CB ARG A 110 3.707 0.368 15.632 1.00 0.00 C ATOM 1725 CG ARG A 110 2.875 -0.145 16.794 1.00 0.00 C ATOM 1726 CD ARG A 110 2.460 -1.592 16.582 1.00 0.00 C ATOM 1727 NE ARG A 110 1.521 -2.048 17.604 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.870 -2.338 18.855 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.134 -2.220 19.242 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.953 -2.746 19.721 1.00 0.00 N ATOM 0 H ARG A 110 3.234 2.340 14.207 1.00 0.00 H new ATOM 0 HA ARG A 110 4.094 2.054 16.899 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.077 0.427 14.744 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.496 -0.352 15.416 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.447 -0.060 17.718 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.987 0.477 16.910 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.004 -1.698 15.598 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.345 -2.228 16.593 1.00 0.00 H new ATOM 0 HE ARG A 110 0.540 -2.150 17.343 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.843 -1.906 18.579 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.396 -2.443 20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.020 -2.838 19.428 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.220 -2.968 20.680 1.00 0.00 H new ATOM 1744 N TYR A 111 6.320 1.704 14.517 1.00 0.00 N ATOM 1745 CA TYR A 111 7.748 1.641 14.236 1.00 0.00 C ATOM 1746 C TYR A 111 8.376 3.024 14.365 1.00 0.00 C ATOM 1747 O TYR A 111 9.555 3.156 14.694 1.00 0.00 O ATOM 1748 CB TYR A 111 7.990 1.073 12.836 1.00 0.00 C ATOM 1749 CG TYR A 111 7.658 -0.398 12.723 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.574 -1.368 13.109 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.427 -0.816 12.235 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.273 -2.713 13.012 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.117 -2.159 12.134 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.044 -3.103 12.524 1.00 0.00 C ATOM 1755 OH TYR A 111 6.739 -4.441 12.426 1.00 0.00 O ATOM 0 H TYR A 111 5.731 1.792 13.689 1.00 0.00 H new ATOM 0 HA TYR A 111 8.217 0.979 14.964 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.390 1.630 12.116 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.035 1.225 12.565 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.538 -1.066 13.491 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.699 -0.079 11.929 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.996 -3.455 13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.155 -2.467 11.752 1.00 0.00 H new ATOM 0 HH TYR A 111 6.322 -4.743 13.260 1.00 0.00 H new ATOM 1765 N LYS A 112 7.573 4.054 14.116 1.00 0.00 N ATOM 1766 CA LYS A 112 8.036 5.430 14.217 1.00 0.00 C ATOM 1767 C LYS A 112 8.447 5.751 15.649 1.00 0.00 C ATOM 1768 O LYS A 112 9.473 6.388 15.886 1.00 0.00 O ATOM 1769 CB LYS A 112 6.937 6.389 13.765 1.00 0.00 C ATOM 1770 CG LYS A 112 6.575 6.247 12.298 1.00 0.00 C ATOM 1771 CD LYS A 112 6.405 7.603 11.641 1.00 0.00 C ATOM 1772 CE LYS A 112 5.443 7.535 10.466 1.00 0.00 C ATOM 1773 NZ LYS A 112 5.147 8.885 9.912 1.00 0.00 N ATOM 0 H LYS A 112 6.595 3.959 13.842 1.00 0.00 H new ATOM 0 HA LYS A 112 8.904 5.551 13.568 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.046 6.218 14.369 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.259 7.413 13.954 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.353 5.685 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.652 5.675 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.036 8.320 12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.374 7.967 11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.869 6.907 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.514 7.061 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.488 8.795 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.717 9.477 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.030 9.327 9.585 1.00 0.00 H new