USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 63 GLN : amide:sc= -1.37! C(o=-1.4!,f=-6.7!) USER MOD Set 1.2: A 84 ASN : amide:sc= -3.55! C(o=-1.4!,f=-6.7!) USER MOD Set 1.3: A 85 SER OG : rot 80:sc= 2.28 USER MOD Set 1.4: A 89 TYR OH : rot 85:sc= 1.2 USER MOD Set 2.1: A 44 LYS NZ :NH3+ 139:sc= 1.64 (180deg=1.01) USER MOD Set 2.2: A 81 TYR OH : rot -50:sc= -1.76! USER MOD Set 3.1: A 23 ASN : amide:sc= 0.375 K(o=1.7,f=-9!) USER MOD Set 3.2: A 59 TYR OH : rot -8:sc= -0.221 USER MOD Set 3.3: A 95 LYS NZ :NH3+ 148:sc= 1.57 (180deg=0.142) USER MOD Set 4.1: A 37 LYS NZ :NH3+ 179:sc= 2.22 (180deg=1.32) USER MOD Set 4.2: A 78 ASN : amide:sc= 0.688 K(o=2.9,f=-9.9!) USER MOD Set 5.1: A 25 ASN : amide:sc= -1.59! C(o=-0.37!,f=-12!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0) USER MOD Set 6.1: A 18 SER OG : rot -132:sc= 0.094 USER MOD Set 6.2: A 27 TYR OH : rot -83:sc= 0.728 USER MOD Set 7.1: A 5 TYR OH : rot 162:sc= 0.653 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.8 K(o=2.5,f=-5!) USER MOD Set 7.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.254 X(o=0.25,f=-0.063) USER MOD Single : A 7 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 34:sc= 0.691 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -169:sc= 0.87 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -107:sc= -0.847 (180deg=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= 0.853 (180deg=0.292) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -3.9! C(o=-4.4!,f=-3.9!) USER MOD Single : A 50 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.52) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0.569 (180deg=0.524) USER MOD Single : A 76 ASN : amide:sc= -1.26 K(o=-1.3,f=-1.9!) USER MOD Single : A 83 MET CE :methyl -158:sc= -0.0909 (180deg=-0.528) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.44 K(o=-0.44,f=-4.2!) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.987) USER MOD Single : A 97 THR OG1 : rot 144:sc= 0.829 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.356 -27.747 13.524 1.00 0.00 N ATOM 2 CA ALA A 1 4.867 -27.768 13.547 1.00 0.00 C ATOM 3 C ALA A 1 4.289 -27.824 12.131 1.00 0.00 C ATOM 4 O ALA A 1 3.598 -28.779 11.776 1.00 0.00 O ATOM 5 CB ALA A 1 4.330 -26.552 14.294 1.00 0.00 C ATOM 0 H1 ALA A 1 6.718 -27.709 14.498 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.708 -28.607 13.057 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.683 -26.910 13.000 1.00 0.00 H new ATOM 0 HA ALA A 1 4.553 -28.670 14.072 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.240 -26.582 14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.701 -26.562 15.319 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.664 -25.642 13.796 1.00 0.00 H new ATOM 13 N LEU A 2 4.578 -26.798 11.328 1.00 0.00 N ATOM 14 CA LEU A 2 4.087 -26.734 9.952 1.00 0.00 C ATOM 15 C LEU A 2 5.157 -26.177 9.009 1.00 0.00 C ATOM 16 O LEU A 2 6.042 -25.430 9.434 1.00 0.00 O ATOM 17 CB LEU A 2 2.822 -25.871 9.879 1.00 0.00 C ATOM 18 CG LEU A 2 2.993 -24.419 10.337 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.507 -23.458 9.262 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.250 -24.179 11.642 1.00 0.00 C ATOM 0 H LEU A 2 5.149 -26.001 11.608 1.00 0.00 H new ATOM 0 HA LEU A 2 3.846 -27.748 9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.461 -25.870 8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.048 -26.338 10.488 1.00 0.00 H new ATOM 0 HG LEU A 2 4.054 -24.236 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.637 -22.432 9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.084 -23.611 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.452 -23.642 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.383 -23.142 11.951 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.189 -24.381 11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.645 -24.841 12.413 1.00 0.00 H new ATOM 32 N PRO A 3 5.088 -26.534 7.711 1.00 0.00 N ATOM 33 CA PRO A 3 6.051 -26.066 6.708 1.00 0.00 C ATOM 34 C PRO A 3 5.765 -24.638 6.239 1.00 0.00 C ATOM 35 O PRO A 3 4.833 -23.990 6.722 1.00 0.00 O ATOM 36 CB PRO A 3 5.861 -27.060 5.562 1.00 0.00 C ATOM 37 CG PRO A 3 4.434 -27.482 5.658 1.00 0.00 C ATOM 38 CD PRO A 3 4.063 -27.420 7.120 1.00 0.00 C ATOM 0 HA PRO A 3 7.068 -26.028 7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.073 -26.598 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.533 -27.912 5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.795 -26.825 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.301 -28.491 5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.059 -27.019 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.078 -28.409 7.578 1.00 0.00 H new ATOM 46 N LEU A 4 6.571 -24.154 5.292 1.00 0.00 N ATOM 47 CA LEU A 4 6.405 -22.802 4.753 1.00 0.00 C ATOM 48 C LEU A 4 5.091 -22.675 3.976 1.00 0.00 C ATOM 49 O LEU A 4 4.438 -23.677 3.675 1.00 0.00 O ATOM 50 CB LEU A 4 7.590 -22.435 3.851 1.00 0.00 C ATOM 51 CG LEU A 4 7.785 -23.335 2.626 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.447 -22.581 1.349 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.212 -23.861 2.572 1.00 0.00 C ATOM 0 H LEU A 4 7.345 -24.677 4.882 1.00 0.00 H new ATOM 0 HA LEU A 4 6.373 -22.108 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.461 -21.408 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.501 -22.460 4.448 1.00 0.00 H new ATOM 0 HG LEU A 4 7.107 -24.184 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.592 -23.237 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.408 -22.253 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.099 -21.712 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.332 -24.498 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.906 -23.023 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.421 -24.439 3.472 1.00 0.00 H new ATOM 65 N TYR A 5 4.711 -21.435 3.659 1.00 0.00 N ATOM 66 CA TYR A 5 3.474 -21.165 2.922 1.00 0.00 C ATOM 67 C TYR A 5 3.404 -21.982 1.629 1.00 0.00 C ATOM 68 O TYR A 5 4.130 -21.712 0.670 1.00 0.00 O ATOM 69 CB TYR A 5 3.359 -19.670 2.604 1.00 0.00 C ATOM 70 CG TYR A 5 1.949 -19.220 2.284 1.00 0.00 C ATOM 71 CD1 TYR A 5 1.400 -19.434 1.025 1.00 0.00 C ATOM 72 CD2 TYR A 5 1.169 -18.580 3.240 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.114 -19.022 0.728 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.117 -18.166 2.950 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.640 -18.389 1.692 1.00 0.00 C ATOM 76 OH TYR A 5 -1.921 -17.977 1.393 1.00 0.00 O ATOM 0 H TYR A 5 5.244 -20.600 3.902 1.00 0.00 H new ATOM 0 HA TYR A 5 2.638 -21.462 3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.729 -19.098 3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.006 -19.437 1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.987 -19.930 0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.575 -18.403 4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.298 -19.196 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.710 -17.670 3.704 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.415 -17.817 2.224 1.00 0.00 H new ATOM 86 N ASN A 6 2.521 -22.981 1.617 1.00 0.00 N ATOM 87 CA ASN A 6 2.342 -23.844 0.451 1.00 0.00 C ATOM 88 C ASN A 6 0.862 -23.958 0.084 1.00 0.00 C ATOM 89 O ASN A 6 0.452 -23.551 -1.003 1.00 0.00 O ATOM 90 CB ASN A 6 2.925 -25.235 0.723 1.00 0.00 C ATOM 91 CG ASN A 6 4.386 -25.340 0.329 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.709 -25.678 -0.808 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.278 -25.053 1.268 1.00 0.00 N ATOM 0 H ASN A 6 1.917 -23.212 2.405 1.00 0.00 H new ATOM 0 HA ASN A 6 2.873 -23.396 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.820 -25.468 1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.350 -25.980 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.275 -25.109 1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.967 -24.776 2.199 1.00 0.00 H new ATOM 100 N GLN A 7 0.066 -24.511 1.001 1.00 0.00 N ATOM 101 CA GLN A 7 -1.369 -24.676 0.782 1.00 0.00 C ATOM 102 C GLN A 7 -2.164 -24.015 1.908 1.00 0.00 C ATOM 103 O GLN A 7 -2.371 -24.610 2.968 1.00 0.00 O ATOM 104 CB GLN A 7 -1.728 -26.163 0.683 1.00 0.00 C ATOM 105 CG GLN A 7 -1.009 -26.894 -0.443 1.00 0.00 C ATOM 106 CD GLN A 7 -0.364 -28.189 0.016 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.774 -29.275 -0.388 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.651 -28.082 0.865 1.00 0.00 N ATOM 0 H GLN A 7 0.394 -24.853 1.904 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.630 -24.190 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.490 -26.649 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.804 -26.259 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.719 -27.110 -1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.244 -26.241 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.961 -27.161 1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.121 -28.920 1.206 1.00 0.00 H new ATOM 117 N GLN A 8 -2.599 -22.777 1.672 1.00 0.00 N ATOM 118 CA GLN A 8 -3.365 -22.029 2.667 1.00 0.00 C ATOM 119 C GLN A 8 -4.783 -21.746 2.169 1.00 0.00 C ATOM 120 O GLN A 8 -4.984 -20.934 1.263 1.00 0.00 O ATOM 121 CB GLN A 8 -2.653 -20.716 3.004 1.00 0.00 C ATOM 122 CG GLN A 8 -3.180 -20.039 4.261 1.00 0.00 C ATOM 123 CD GLN A 8 -3.996 -18.797 3.956 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.446 -17.720 3.731 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.316 -18.941 3.943 1.00 0.00 N ATOM 0 H GLN A 8 -2.434 -22.272 0.801 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.436 -22.638 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.588 -20.912 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.756 -20.031 2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.795 -20.745 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.341 -19.770 4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.731 -19.853 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.914 -18.140 3.741 1.00 0.00 H new ATOM 134 N VAL A 9 -5.761 -22.424 2.769 1.00 0.00 N ATOM 135 CA VAL A 9 -7.163 -22.253 2.394 1.00 0.00 C ATOM 136 C VAL A 9 -8.047 -22.143 3.637 1.00 0.00 C ATOM 137 O VAL A 9 -8.268 -23.131 4.341 1.00 0.00 O ATOM 138 CB VAL A 9 -7.661 -23.424 1.516 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.071 -23.158 1.009 1.00 0.00 C ATOM 140 CG2 VAL A 9 -6.712 -23.669 0.351 1.00 0.00 C ATOM 0 H VAL A 9 -5.607 -23.098 3.519 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.231 -21.330 1.817 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.683 -24.322 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.400 -23.995 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.747 -23.043 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.077 -22.245 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.083 -24.497 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.651 -22.771 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.721 -23.914 0.734 1.00 0.00 H new ATOM 150 N GLY A 10 -8.548 -20.936 3.902 1.00 0.00 N ATOM 151 CA GLY A 10 -9.400 -20.722 5.062 1.00 0.00 C ATOM 152 C GLY A 10 -9.994 -19.326 5.110 1.00 0.00 C ATOM 153 O GLY A 10 -10.492 -18.823 4.102 1.00 0.00 O ATOM 0 H GLY A 10 -8.379 -20.105 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.207 -21.455 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.821 -20.896 5.969 1.00 0.00 H new ATOM 157 N ASP A 11 -9.943 -18.702 6.287 1.00 0.00 N ATOM 158 CA ASP A 11 -10.484 -17.356 6.471 1.00 0.00 C ATOM 159 C ASP A 11 -9.362 -16.318 6.598 1.00 0.00 C ATOM 160 O ASP A 11 -9.390 -15.460 7.484 1.00 0.00 O ATOM 161 CB ASP A 11 -11.389 -17.323 7.710 1.00 0.00 C ATOM 162 CG ASP A 11 -12.838 -17.625 7.380 1.00 0.00 C ATOM 163 OD1 ASP A 11 -13.116 -18.734 6.878 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.695 -16.750 7.626 1.00 0.00 O ATOM 0 H ASP A 11 -9.532 -19.108 7.128 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.074 -17.100 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.027 -18.048 8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.324 -16.341 8.178 1.00 0.00 H new ATOM 169 N CYS A 12 -8.374 -16.401 5.703 1.00 0.00 N ATOM 170 CA CYS A 12 -7.244 -15.471 5.712 1.00 0.00 C ATOM 171 C CYS A 12 -6.403 -15.599 4.438 1.00 0.00 C ATOM 172 O CYS A 12 -6.594 -16.523 3.644 1.00 0.00 O ATOM 173 CB CYS A 12 -6.367 -15.715 6.944 1.00 0.00 C ATOM 174 SG CYS A 12 -5.724 -17.401 7.077 1.00 0.00 S ATOM 0 H CYS A 12 -8.335 -17.103 4.964 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.647 -14.459 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.528 -15.019 6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.946 -15.488 7.839 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.995 -17.504 8.148 1.00 0.00 H new ATOM 180 N CYS A 13 -5.473 -14.660 4.255 1.00 0.00 N ATOM 181 CA CYS A 13 -4.592 -14.650 3.086 1.00 0.00 C ATOM 182 C CYS A 13 -3.326 -13.827 3.361 1.00 0.00 C ATOM 183 O CYS A 13 -3.060 -13.449 4.505 1.00 0.00 O ATOM 184 CB CYS A 13 -5.340 -14.090 1.869 1.00 0.00 C ATOM 185 SG CYS A 13 -5.158 -15.085 0.370 1.00 0.00 S ATOM 0 H CYS A 13 -5.310 -13.892 4.906 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.289 -15.675 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.399 -14.009 2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.981 -13.081 1.668 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.825 -14.534 -0.600 1.00 0.00 H new ATOM 191 N ILE A 14 -2.549 -13.548 2.311 1.00 0.00 N ATOM 192 CA ILE A 14 -1.317 -12.766 2.448 1.00 0.00 C ATOM 193 C ILE A 14 -1.312 -11.571 1.497 1.00 0.00 C ATOM 194 O ILE A 14 -2.130 -11.490 0.581 1.00 0.00 O ATOM 195 CB ILE A 14 -0.040 -13.611 2.200 1.00 0.00 C ATOM 196 CG1 ILE A 14 -0.379 -15.023 1.709 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.798 -13.682 3.468 1.00 0.00 C ATOM 198 CD1 ILE A 14 -0.551 -15.118 0.207 1.00 0.00 C ATOM 0 H ILE A 14 -2.751 -13.851 1.358 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.300 -12.417 3.481 1.00 0.00 H new ATOM 0 HB ILE A 14 0.535 -13.118 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.412 -15.706 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.297 -15.356 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.691 -14.278 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.089 -12.676 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.214 -14.144 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.789 -16.146 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.361 -14.461 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.374 -14.816 -0.285 1.00 0.00 H new ATOM 210 N ILE A 15 -0.387 -10.640 1.730 1.00 0.00 N ATOM 211 CA ILE A 15 -0.277 -9.439 0.906 1.00 0.00 C ATOM 212 C ILE A 15 1.159 -8.911 0.870 1.00 0.00 C ATOM 213 O ILE A 15 1.922 -9.091 1.819 1.00 0.00 O ATOM 214 CB ILE A 15 -1.231 -8.330 1.431 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.500 -8.277 0.580 1.00 0.00 C ATOM 216 CG2 ILE A 15 -0.554 -6.962 1.460 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.476 -7.203 1.009 1.00 0.00 C ATOM 0 H ILE A 15 0.297 -10.696 2.484 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.565 -9.712 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.497 -8.585 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.222 -8.108 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.997 -9.246 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.256 -6.216 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.316 -7.001 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.238 -6.691 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.351 -7.226 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.784 -7.382 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.997 -6.227 0.938 1.00 0.00 H new ATOM 229 N ARG A 16 1.503 -8.235 -0.223 1.00 0.00 N ATOM 230 CA ARG A 16 2.827 -7.643 -0.389 1.00 0.00 C ATOM 231 C ARG A 16 2.674 -6.169 -0.774 1.00 0.00 C ATOM 232 O ARG A 16 2.637 -5.821 -1.955 1.00 0.00 O ATOM 233 CB ARG A 16 3.629 -8.410 -1.445 1.00 0.00 C ATOM 234 CG ARG A 16 5.114 -8.082 -1.443 1.00 0.00 C ATOM 235 CD ARG A 16 5.970 -9.340 -1.412 1.00 0.00 C ATOM 236 NE ARG A 16 6.164 -9.905 -2.749 1.00 0.00 N ATOM 237 CZ ARG A 16 6.954 -9.373 -3.684 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.630 -8.257 -3.445 1.00 0.00 N ATOM 239 NH2 ARG A 16 7.061 -9.961 -4.867 1.00 0.00 N ATOM 0 H ARG A 16 0.877 -8.083 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 16 3.376 -7.707 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.502 -9.480 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.219 -8.190 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.358 -7.498 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.348 -7.461 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.940 -9.108 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.499 -10.083 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 16 5.662 -10.762 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.549 -7.796 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.231 -7.860 -4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.541 -10.817 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.664 -9.558 -5.584 1.00 0.00 H new ATOM 253 N VAL A 17 2.548 -5.315 0.244 1.00 0.00 N ATOM 254 CA VAL A 17 2.357 -3.877 0.042 1.00 0.00 C ATOM 255 C VAL A 17 3.656 -3.153 -0.324 1.00 0.00 C ATOM 256 O VAL A 17 4.750 -3.571 0.062 1.00 0.00 O ATOM 257 CB VAL A 17 1.750 -3.209 1.302 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.720 -3.257 2.474 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.342 -1.772 1.009 1.00 0.00 C ATOM 0 H VAL A 17 2.575 -5.597 1.224 1.00 0.00 H new ATOM 0 HA VAL A 17 1.666 -3.785 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 17 0.859 -3.773 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.265 -2.781 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.954 -4.295 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.637 -2.730 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.919 -1.324 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.217 -1.202 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.598 -1.760 0.213 1.00 0.00 H new ATOM 269 N SER A 18 3.512 -2.048 -1.058 1.00 0.00 N ATOM 270 CA SER A 18 4.650 -1.229 -1.475 1.00 0.00 C ATOM 271 C SER A 18 4.233 0.234 -1.632 1.00 0.00 C ATOM 272 O SER A 18 3.329 0.550 -2.406 1.00 0.00 O ATOM 273 CB SER A 18 5.235 -1.748 -2.791 1.00 0.00 C ATOM 274 OG SER A 18 4.233 -1.873 -3.787 1.00 0.00 O ATOM 0 H SER A 18 2.609 -1.698 -1.378 1.00 0.00 H new ATOM 0 HA SER A 18 5.414 -1.295 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.013 -1.068 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.708 -2.716 -2.625 1.00 0.00 H new ATOM 0 HG SER A 18 4.312 -2.747 -4.222 1.00 0.00 H new ATOM 280 N LEU A 19 4.894 1.122 -0.893 1.00 0.00 N ATOM 281 CA LEU A 19 4.588 2.551 -0.957 1.00 0.00 C ATOM 282 C LEU A 19 5.403 3.232 -2.058 1.00 0.00 C ATOM 283 O LEU A 19 6.604 2.987 -2.193 1.00 0.00 O ATOM 284 CB LEU A 19 4.861 3.219 0.395 1.00 0.00 C ATOM 285 CG LEU A 19 3.623 3.790 1.092 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.358 3.062 2.402 1.00 0.00 C ATOM 287 CD2 LEU A 19 3.784 5.285 1.328 1.00 0.00 C ATOM 0 H LEU A 19 5.643 0.879 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 19 3.530 2.661 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.329 2.490 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.581 4.024 0.248 1.00 0.00 H new ATOM 0 HG LEU A 19 2.763 3.638 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.474 3.484 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.192 2.003 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.218 3.177 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.894 5.673 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.657 5.462 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.917 5.792 0.372 1.00 0.00 H new ATOM 299 N ASP A 20 4.740 4.080 -2.847 1.00 0.00 N ATOM 300 CA ASP A 20 5.404 4.787 -3.943 1.00 0.00 C ATOM 301 C ASP A 20 4.686 6.099 -4.282 1.00 0.00 C ATOM 302 O ASP A 20 4.072 6.229 -5.344 1.00 0.00 O ATOM 303 CB ASP A 20 5.474 3.879 -5.179 1.00 0.00 C ATOM 304 CG ASP A 20 6.226 4.513 -6.336 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.432 4.800 -6.177 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.607 4.720 -7.401 1.00 0.00 O ATOM 0 H ASP A 20 3.747 4.293 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 20 6.415 5.040 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.959 2.941 -4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.462 3.633 -5.501 1.00 0.00 H new ATOM 311 N VAL A 21 4.775 7.072 -3.376 1.00 0.00 N ATOM 312 CA VAL A 21 4.145 8.379 -3.580 1.00 0.00 C ATOM 313 C VAL A 21 4.915 9.477 -2.841 1.00 0.00 C ATOM 314 O VAL A 21 5.719 10.189 -3.444 1.00 0.00 O ATOM 315 CB VAL A 21 2.664 8.382 -3.127 1.00 0.00 C ATOM 316 CG1 VAL A 21 2.062 9.776 -3.229 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.852 7.397 -3.950 1.00 0.00 C ATOM 0 H VAL A 21 5.277 6.981 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 21 4.172 8.582 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 21 2.634 8.074 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.022 9.748 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.622 10.462 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.111 10.119 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.814 7.413 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.900 7.676 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.258 6.394 -3.822 1.00 0.00 H new ATOM 327 N ASP A 22 4.670 9.602 -1.537 1.00 0.00 N ATOM 328 CA ASP A 22 5.345 10.607 -0.718 1.00 0.00 C ATOM 329 C ASP A 22 6.438 9.973 0.150 1.00 0.00 C ATOM 330 O ASP A 22 7.301 10.675 0.681 1.00 0.00 O ATOM 331 CB ASP A 22 4.328 11.340 0.164 1.00 0.00 C ATOM 332 CG ASP A 22 3.188 11.941 -0.637 1.00 0.00 C ATOM 333 OD1 ASP A 22 3.422 12.937 -1.354 1.00 0.00 O ATOM 334 OD2 ASP A 22 2.059 11.415 -0.547 1.00 0.00 O ATOM 0 H ASP A 22 4.008 9.019 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 22 5.820 11.324 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.923 10.645 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.835 12.131 0.717 1.00 0.00 H new ATOM 339 N ASN A 23 6.399 8.644 0.289 1.00 0.00 N ATOM 340 CA ASN A 23 7.384 7.920 1.087 1.00 0.00 C ATOM 341 C ASN A 23 7.930 6.722 0.309 1.00 0.00 C ATOM 342 O ASN A 23 7.241 5.713 0.139 1.00 0.00 O ATOM 343 CB ASN A 23 6.762 7.452 2.407 1.00 0.00 C ATOM 344 CG ASN A 23 5.933 8.533 3.080 1.00 0.00 C ATOM 345 OD1 ASN A 23 4.721 8.615 2.881 1.00 0.00 O ATOM 346 ND2 ASN A 23 6.583 9.372 3.878 1.00 0.00 N ATOM 0 H ASN A 23 5.692 8.049 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 23 8.210 8.596 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.133 6.582 2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.554 7.133 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.077 10.119 4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.588 9.269 4.016 1.00 0.00 H new ATOM 353 N GLY A 24 9.169 6.846 -0.166 1.00 0.00 N ATOM 354 CA GLY A 24 9.794 5.773 -0.926 1.00 0.00 C ATOM 355 C GLY A 24 10.312 4.655 -0.041 1.00 0.00 C ATOM 356 O GLY A 24 11.515 4.558 0.205 1.00 0.00 O ATOM 0 H GLY A 24 9.753 7.673 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.072 5.366 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.619 6.180 -1.511 1.00 0.00 H new ATOM 360 N ASN A 25 9.399 3.811 0.439 1.00 0.00 N ATOM 361 CA ASN A 25 9.763 2.692 1.306 1.00 0.00 C ATOM 362 C ASN A 25 9.822 1.379 0.525 1.00 0.00 C ATOM 363 O ASN A 25 9.236 1.255 -0.553 1.00 0.00 O ATOM 364 CB ASN A 25 8.763 2.572 2.459 1.00 0.00 C ATOM 365 CG ASN A 25 9.348 1.859 3.664 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.374 0.629 3.720 1.00 0.00 O ATOM 367 ND2 ASN A 25 9.820 2.627 4.638 1.00 0.00 N ATOM 0 H ASN A 25 8.401 3.882 0.241 1.00 0.00 H new ATOM 0 HA ASN A 25 10.756 2.889 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.433 3.568 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.880 2.033 2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.224 2.202 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.779 3.643 4.552 1.00 0.00 H new ATOM 374 N MET A 26 10.534 0.401 1.082 1.00 0.00 N ATOM 375 CA MET A 26 10.679 -0.909 0.449 1.00 0.00 C ATOM 376 C MET A 26 9.411 -1.754 0.610 1.00 0.00 C ATOM 377 O MET A 26 8.505 -1.399 1.370 1.00 0.00 O ATOM 378 CB MET A 26 11.884 -1.650 1.041 1.00 0.00 C ATOM 379 CG MET A 26 13.131 -1.575 0.174 1.00 0.00 C ATOM 380 SD MET A 26 13.068 -2.701 -1.233 1.00 0.00 S ATOM 381 CE MET A 26 14.071 -4.057 -0.630 1.00 0.00 C ATOM 0 H MET A 26 11.021 0.491 1.974 1.00 0.00 H new ATOM 0 HA MET A 26 10.842 -0.749 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.109 -1.234 2.023 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.618 -2.696 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.256 -0.554 -0.188 1.00 0.00 H new ATOM 0 HG3 MET A 26 14.006 -1.808 0.782 1.00 0.00 H new ATOM 0 HE1 MET A 26 14.127 -4.835 -1.391 1.00 0.00 H new ATOM 0 HE2 MET A 26 15.075 -3.696 -0.406 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.623 -4.467 0.275 1.00 0.00 H new ATOM 391 N TYR A 27 9.362 -2.875 -0.116 1.00 0.00 N ATOM 392 CA TYR A 27 8.216 -3.787 -0.071 1.00 0.00 C ATOM 393 C TYR A 27 8.011 -4.353 1.336 1.00 0.00 C ATOM 394 O TYR A 27 8.976 -4.628 2.052 1.00 0.00 O ATOM 395 CB TYR A 27 8.418 -4.943 -1.059 1.00 0.00 C ATOM 396 CG TYR A 27 7.546 -4.867 -2.293 1.00 0.00 C ATOM 397 CD1 TYR A 27 6.173 -5.072 -2.215 1.00 0.00 C ATOM 398 CD2 TYR A 27 8.099 -4.600 -3.539 1.00 0.00 C ATOM 399 CE1 TYR A 27 5.378 -5.012 -3.345 1.00 0.00 C ATOM 400 CE2 TYR A 27 7.310 -4.541 -4.672 1.00 0.00 C ATOM 401 CZ TYR A 27 5.952 -4.747 -4.569 1.00 0.00 C ATOM 402 OH TYR A 27 5.165 -4.693 -5.695 1.00 0.00 O ATOM 0 H TYR A 27 10.107 -3.173 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 27 7.329 -3.217 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.463 -4.963 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.219 -5.884 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.720 -5.281 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.163 -4.436 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.313 -5.172 -3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.756 -4.334 -5.634 1.00 0.00 H new ATOM 0 HH TYR A 27 5.013 -5.601 -6.032 1.00 0.00 H new ATOM 412 N LYS A 28 6.748 -4.538 1.716 1.00 0.00 N ATOM 413 CA LYS A 28 6.405 -5.087 3.028 1.00 0.00 C ATOM 414 C LYS A 28 5.207 -6.030 2.911 1.00 0.00 C ATOM 415 O LYS A 28 4.230 -5.715 2.234 1.00 0.00 O ATOM 416 CB LYS A 28 6.089 -3.963 4.024 1.00 0.00 C ATOM 417 CG LYS A 28 7.231 -2.975 4.234 1.00 0.00 C ATOM 418 CD LYS A 28 8.378 -3.595 5.018 1.00 0.00 C ATOM 419 CE LYS A 28 9.711 -2.959 4.652 1.00 0.00 C ATOM 420 NZ LYS A 28 9.831 -1.566 5.172 1.00 0.00 N ATOM 0 H LYS A 28 5.942 -4.315 1.132 1.00 0.00 H new ATOM 0 HA LYS A 28 7.265 -5.646 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.212 -3.418 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.826 -4.407 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.596 -2.631 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.860 -2.098 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.197 -3.474 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.418 -4.666 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.523 -3.566 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.823 -2.951 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.797 -1.409 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.628 -0.891 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.152 -1.425 5.947 1.00 0.00 H new ATOM 434 N SER A 29 5.283 -7.187 3.564 1.00 0.00 N ATOM 435 CA SER A 29 4.191 -8.158 3.512 1.00 0.00 C ATOM 436 C SER A 29 3.167 -7.894 4.615 1.00 0.00 C ATOM 437 O SER A 29 3.527 -7.597 5.756 1.00 0.00 O ATOM 438 CB SER A 29 4.731 -9.586 3.625 1.00 0.00 C ATOM 439 OG SER A 29 3.680 -10.540 3.593 1.00 0.00 O ATOM 0 H SER A 29 6.081 -7.474 4.131 1.00 0.00 H new ATOM 0 HA SER A 29 3.693 -8.047 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.426 -9.780 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.293 -9.692 4.553 1.00 0.00 H new ATOM 0 HG SER A 29 2.965 -10.219 3.005 1.00 0.00 H new ATOM 445 N ILE A 30 1.890 -8.002 4.257 1.00 0.00 N ATOM 446 CA ILE A 30 0.795 -7.775 5.198 1.00 0.00 C ATOM 447 C ILE A 30 -0.165 -8.966 5.218 1.00 0.00 C ATOM 448 O ILE A 30 -0.400 -9.599 4.189 1.00 0.00 O ATOM 449 CB ILE A 30 -0.003 -6.496 4.841 1.00 0.00 C ATOM 450 CG1 ILE A 30 0.919 -5.405 4.279 1.00 0.00 C ATOM 451 CG2 ILE A 30 -0.755 -5.979 6.058 1.00 0.00 C ATOM 452 CD1 ILE A 30 1.935 -4.885 5.275 1.00 0.00 C ATOM 0 H ILE A 30 1.586 -8.247 3.315 1.00 0.00 H new ATOM 0 HA ILE A 30 1.245 -7.651 6.183 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.726 -6.758 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.446 -5.801 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.309 -4.572 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.310 -5.080 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.449 -6.743 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.045 -5.743 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.548 -4.118 4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.417 -4.458 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.572 -5.705 5.607 1.00 0.00 H new ATOM 464 N LEU A 31 -0.720 -9.265 6.392 1.00 0.00 N ATOM 465 CA LEU A 31 -1.657 -10.380 6.534 1.00 0.00 C ATOM 466 C LEU A 31 -3.055 -9.982 6.057 1.00 0.00 C ATOM 467 O LEU A 31 -3.458 -8.825 6.181 1.00 0.00 O ATOM 468 CB LEU A 31 -1.714 -10.852 7.991 1.00 0.00 C ATOM 469 CG LEU A 31 -0.892 -12.107 8.296 1.00 0.00 C ATOM 470 CD1 LEU A 31 -0.185 -11.972 9.636 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.780 -13.342 8.283 1.00 0.00 C ATOM 0 H LEU A 31 -0.538 -8.753 7.256 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.300 -11.200 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.366 -10.043 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.754 -11.044 8.255 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.135 -12.218 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.394 -12.874 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.483 -11.111 9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.924 -11.834 10.425 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.179 -14.225 8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.559 -13.238 9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.239 -13.450 7.300 1.00 0.00 H new ATOM 483 N VAL A 32 -3.786 -10.949 5.504 1.00 0.00 N ATOM 484 CA VAL A 32 -5.137 -10.704 4.999 1.00 0.00 C ATOM 485 C VAL A 32 -6.162 -11.600 5.693 1.00 0.00 C ATOM 486 O VAL A 32 -5.852 -12.727 6.083 1.00 0.00 O ATOM 487 CB VAL A 32 -5.217 -10.937 3.474 1.00 0.00 C ATOM 488 CG1 VAL A 32 -6.600 -10.589 2.943 1.00 0.00 C ATOM 489 CG2 VAL A 32 -4.150 -10.131 2.749 1.00 0.00 C ATOM 0 H VAL A 32 -3.465 -11.911 5.394 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.369 -9.661 5.216 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.036 -11.995 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.631 -10.761 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.346 -11.215 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.815 -9.540 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.225 -10.310 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.296 -9.070 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.164 -10.435 3.100 1.00 0.00 H new ATOM 499 N THR A 33 -7.384 -11.092 5.837 1.00 0.00 N ATOM 500 CA THR A 33 -8.465 -11.842 6.475 1.00 0.00 C ATOM 501 C THR A 33 -9.518 -12.264 5.447 1.00 0.00 C ATOM 502 O THR A 33 -9.457 -11.862 4.283 1.00 0.00 O ATOM 503 CB THR A 33 -9.118 -11.003 7.578 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.857 -9.929 7.020 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.124 -10.414 8.557 1.00 0.00 C ATOM 0 H THR A 33 -7.652 -10.160 5.519 1.00 0.00 H new ATOM 0 HA THR A 33 -8.036 -12.740 6.919 1.00 0.00 H new ATOM 0 HB THR A 33 -9.766 -11.694 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.268 -9.406 7.740 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.656 -9.833 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.572 -11.218 9.043 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.428 -9.767 8.024 1.00 0.00 H new ATOM 513 N SER A 34 -10.483 -13.073 5.886 1.00 0.00 N ATOM 514 CA SER A 34 -11.554 -13.549 5.006 1.00 0.00 C ATOM 515 C SER A 34 -12.384 -12.385 4.467 1.00 0.00 C ATOM 516 O SER A 34 -12.621 -12.289 3.261 1.00 0.00 O ATOM 517 CB SER A 34 -12.466 -14.531 5.749 1.00 0.00 C ATOM 518 OG SER A 34 -12.482 -14.267 7.143 1.00 0.00 O ATOM 0 H SER A 34 -10.546 -13.413 6.846 1.00 0.00 H new ATOM 0 HA SER A 34 -11.086 -14.061 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.479 -14.461 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.124 -15.551 5.574 1.00 0.00 H new ATOM 0 HG SER A 34 -12.929 -15.003 7.610 1.00 0.00 H new ATOM 524 N GLN A 35 -12.824 -11.502 5.366 1.00 0.00 N ATOM 525 CA GLN A 35 -13.628 -10.345 4.979 1.00 0.00 C ATOM 526 C GLN A 35 -12.834 -9.045 5.132 1.00 0.00 C ATOM 527 O GLN A 35 -13.297 -8.087 5.756 1.00 0.00 O ATOM 528 CB GLN A 35 -14.910 -10.292 5.815 1.00 0.00 C ATOM 529 CG GLN A 35 -16.075 -11.042 5.188 1.00 0.00 C ATOM 530 CD GLN A 35 -17.417 -10.603 5.742 1.00 0.00 C ATOM 531 OE1 GLN A 35 -18.032 -9.666 5.236 1.00 0.00 O ATOM 532 NE2 GLN A 35 -17.879 -11.277 6.789 1.00 0.00 N ATOM 0 H GLN A 35 -12.636 -11.568 6.366 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.896 -10.451 3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.708 -10.709 6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.196 -9.250 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.063 -10.887 4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.948 -12.111 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.337 -12.048 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.776 -11.023 7.204 1.00 0.00 H new ATOM 541 N ASP A 36 -11.634 -9.019 4.551 1.00 0.00 N ATOM 542 CA ASP A 36 -10.769 -7.842 4.613 1.00 0.00 C ATOM 543 C ASP A 36 -11.367 -6.677 3.819 1.00 0.00 C ATOM 544 O ASP A 36 -12.030 -6.882 2.798 1.00 0.00 O ATOM 545 CB ASP A 36 -9.378 -8.189 4.079 1.00 0.00 C ATOM 546 CG ASP A 36 -8.265 -7.492 4.837 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.248 -6.243 4.860 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.405 -8.197 5.403 1.00 0.00 O ATOM 0 H ASP A 36 -11.239 -9.802 4.031 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.686 -7.532 5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.231 -9.267 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.320 -7.916 3.025 1.00 0.00 H new ATOM 553 N LYS A 37 -11.137 -5.454 4.299 1.00 0.00 N ATOM 554 CA LYS A 37 -11.662 -4.255 3.641 1.00 0.00 C ATOM 555 C LYS A 37 -10.591 -3.171 3.511 1.00 0.00 C ATOM 556 O LYS A 37 -9.537 -3.247 4.145 1.00 0.00 O ATOM 557 CB LYS A 37 -12.863 -3.706 4.420 1.00 0.00 C ATOM 558 CG LYS A 37 -13.957 -4.734 4.672 1.00 0.00 C ATOM 559 CD LYS A 37 -14.963 -4.772 3.532 1.00 0.00 C ATOM 560 CE LYS A 37 -15.339 -6.200 3.165 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.570 -6.690 1.988 1.00 0.00 N ATOM 0 H LYS A 37 -10.591 -5.267 5.140 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.979 -4.541 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.516 -3.317 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.287 -2.866 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.509 -5.720 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.471 -4.498 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.859 -4.221 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.545 -4.270 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.155 -6.854 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.406 -6.251 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.842 -7.672 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.778 -6.091 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.552 -6.650 2.197 1.00 0.00 H new ATOM 575 N ALA A 38 -10.879 -2.161 2.683 1.00 0.00 N ATOM 576 CA ALA A 38 -9.956 -1.044 2.451 1.00 0.00 C ATOM 577 C ALA A 38 -9.320 -0.530 3.749 1.00 0.00 C ATOM 578 O ALA A 38 -8.094 -0.512 3.868 1.00 0.00 O ATOM 579 CB ALA A 38 -10.668 0.089 1.728 1.00 0.00 C ATOM 0 H ALA A 38 -11.751 -2.094 2.158 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.148 -1.422 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.971 0.910 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.041 -0.269 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.504 0.439 2.334 1.00 0.00 H new ATOM 585 N PRO A 39 -10.139 -0.102 4.741 1.00 0.00 N ATOM 586 CA PRO A 39 -9.630 0.410 6.021 1.00 0.00 C ATOM 587 C PRO A 39 -8.607 -0.528 6.660 1.00 0.00 C ATOM 588 O PRO A 39 -7.592 -0.078 7.191 1.00 0.00 O ATOM 589 CB PRO A 39 -10.884 0.527 6.905 1.00 0.00 C ATOM 590 CG PRO A 39 -11.982 -0.151 6.152 1.00 0.00 C ATOM 591 CD PRO A 39 -11.608 -0.078 4.700 1.00 0.00 C ATOM 0 HA PRO A 39 -9.105 1.356 5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.724 0.053 7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.130 1.571 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.091 -1.187 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.938 0.341 6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.011 -0.919 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.985 0.831 4.230 1.00 0.00 H new ATOM 599 N ALA A 40 -8.874 -1.834 6.590 1.00 0.00 N ATOM 600 CA ALA A 40 -7.970 -2.835 7.149 1.00 0.00 C ATOM 601 C ALA A 40 -6.683 -2.931 6.329 1.00 0.00 C ATOM 602 O ALA A 40 -5.595 -3.077 6.888 1.00 0.00 O ATOM 603 CB ALA A 40 -8.659 -4.190 7.223 1.00 0.00 C ATOM 0 H ALA A 40 -9.710 -2.221 6.151 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.703 -2.525 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.972 -4.925 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.542 -4.115 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.958 -4.501 6.222 1.00 0.00 H new ATOM 609 N VAL A 41 -6.811 -2.836 5.003 1.00 0.00 N ATOM 610 CA VAL A 41 -5.653 -2.900 4.110 1.00 0.00 C ATOM 611 C VAL A 41 -4.656 -1.794 4.439 1.00 0.00 C ATOM 612 O VAL A 41 -3.483 -2.064 4.700 1.00 0.00 O ATOM 613 CB VAL A 41 -6.053 -2.769 2.624 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.866 -3.077 1.723 1.00 0.00 C ATOM 615 CG2 VAL A 41 -7.228 -3.672 2.291 1.00 0.00 C ATOM 0 H VAL A 41 -7.704 -2.715 4.525 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.199 -3.878 4.266 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.363 -1.739 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.166 -2.980 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.057 -2.377 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.523 -4.095 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.487 -3.558 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.957 -4.709 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.084 -3.397 2.907 1.00 0.00 H new ATOM 625 N ILE A 42 -5.134 -0.548 4.427 1.00 0.00 N ATOM 626 CA ILE A 42 -4.287 0.604 4.726 1.00 0.00 C ATOM 627 C ILE A 42 -3.808 0.568 6.177 1.00 0.00 C ATOM 628 O ILE A 42 -2.657 0.898 6.461 1.00 0.00 O ATOM 629 CB ILE A 42 -5.017 1.940 4.457 1.00 0.00 C ATOM 630 CG1 ILE A 42 -5.560 1.975 3.023 1.00 0.00 C ATOM 631 CG2 ILE A 42 -4.080 3.118 4.696 1.00 0.00 C ATOM 632 CD1 ILE A 42 -7.026 2.341 2.938 1.00 0.00 C ATOM 0 H ILE A 42 -6.103 -0.313 4.213 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.426 0.543 4.061 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.856 2.018 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.981 2.693 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.411 0.998 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.611 4.050 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.736 3.105 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.223 3.042 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.340 2.346 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.616 1.610 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.179 3.331 3.368 1.00 0.00 H new ATOM 644 N ARG A 43 -4.690 0.152 7.090 1.00 0.00 N ATOM 645 CA ARG A 43 -4.342 0.061 8.508 1.00 0.00 C ATOM 646 C ARG A 43 -3.208 -0.942 8.717 1.00 0.00 C ATOM 647 O ARG A 43 -2.165 -0.601 9.274 1.00 0.00 O ATOM 648 CB ARG A 43 -5.567 -0.343 9.337 1.00 0.00 C ATOM 649 CG ARG A 43 -5.328 -0.319 10.841 1.00 0.00 C ATOM 650 CD ARG A 43 -5.268 1.103 11.380 1.00 0.00 C ATOM 651 NE ARG A 43 -6.526 1.826 11.177 1.00 0.00 N ATOM 652 CZ ARG A 43 -6.724 3.095 11.536 1.00 0.00 C ATOM 653 NH1 ARG A 43 -5.757 3.788 12.122 1.00 0.00 N ATOM 654 NH2 ARG A 43 -7.895 3.672 11.306 1.00 0.00 N ATOM 0 H ARG A 43 -5.647 -0.126 6.872 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.005 1.042 8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.392 0.328 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.877 -1.346 9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.125 -0.866 11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.395 -0.834 11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.034 1.077 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.458 1.642 10.889 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.298 1.328 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.853 3.351 12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.917 4.758 12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.643 3.145 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.048 4.643 11.580 1.00 0.00 H new ATOM 668 N LYS A 44 -3.414 -2.176 8.251 1.00 0.00 N ATOM 669 CA LYS A 44 -2.402 -3.225 8.374 1.00 0.00 C ATOM 670 C LYS A 44 -1.128 -2.843 7.616 1.00 0.00 C ATOM 671 O LYS A 44 -0.018 -3.128 8.070 1.00 0.00 O ATOM 672 CB LYS A 44 -2.946 -4.558 7.852 1.00 0.00 C ATOM 673 CG LYS A 44 -4.028 -5.164 8.732 1.00 0.00 C ATOM 674 CD LYS A 44 -4.491 -6.512 8.199 1.00 0.00 C ATOM 675 CE LYS A 44 -5.523 -6.354 7.091 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.964 -6.697 5.752 1.00 0.00 N ATOM 0 H LYS A 44 -4.272 -2.472 7.786 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.155 -3.335 9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.347 -4.409 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.123 -5.267 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.648 -5.284 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.877 -4.483 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.633 -7.068 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.917 -7.098 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.380 -6.994 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.887 -5.327 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.668 -7.237 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.728 -5.823 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.105 -7.271 5.871 1.00 0.00 H new ATOM 690 N ALA A 45 -1.297 -2.187 6.464 1.00 0.00 N ATOM 691 CA ALA A 45 -0.164 -1.753 5.651 1.00 0.00 C ATOM 692 C ALA A 45 0.637 -0.665 6.367 1.00 0.00 C ATOM 693 O ALA A 45 1.868 -0.686 6.354 1.00 0.00 O ATOM 694 CB ALA A 45 -0.641 -1.258 4.292 1.00 0.00 C ATOM 0 H ALA A 45 -2.209 -1.946 6.076 1.00 0.00 H new ATOM 0 HA ALA A 45 0.491 -2.610 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.216 -0.939 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.161 -2.064 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.321 -0.417 4.429 1.00 0.00 H new ATOM 700 N MET A 46 -0.072 0.277 7.000 1.00 0.00 N ATOM 701 CA MET A 46 0.573 1.367 7.734 1.00 0.00 C ATOM 702 C MET A 46 1.389 0.822 8.909 1.00 0.00 C ATOM 703 O MET A 46 2.469 1.330 9.206 1.00 0.00 O ATOM 704 CB MET A 46 -0.471 2.388 8.222 1.00 0.00 C ATOM 705 CG MET A 46 -0.880 2.221 9.680 1.00 0.00 C ATOM 706 SD MET A 46 -2.390 3.115 10.090 1.00 0.00 S ATOM 707 CE MET A 46 -2.292 3.126 11.879 1.00 0.00 C ATOM 0 H MET A 46 -1.091 0.305 7.018 1.00 0.00 H new ATOM 0 HA MET A 46 1.256 1.877 7.054 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.072 3.393 8.082 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.360 2.308 7.596 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.021 1.162 9.894 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.071 2.570 10.322 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.025 2.431 12.288 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.292 2.824 12.190 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.499 4.130 12.249 1.00 0.00 H new ATOM 717 N ASP A 47 0.871 -0.224 9.562 1.00 0.00 N ATOM 718 CA ASP A 47 1.567 -0.842 10.690 1.00 0.00 C ATOM 719 C ASP A 47 2.935 -1.356 10.245 1.00 0.00 C ATOM 720 O ASP A 47 3.943 -1.130 10.917 1.00 0.00 O ATOM 721 CB ASP A 47 0.735 -1.991 11.276 1.00 0.00 C ATOM 722 CG ASP A 47 -0.611 -1.533 11.810 1.00 0.00 C ATOM 723 OD1 ASP A 47 -0.671 -0.455 12.439 1.00 0.00 O ATOM 724 OD2 ASP A 47 -1.606 -2.257 11.601 1.00 0.00 O ATOM 0 H ASP A 47 -0.023 -0.657 9.329 1.00 0.00 H new ATOM 0 HA ASP A 47 1.706 -0.088 11.465 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.577 -2.747 10.507 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.297 -2.466 12.080 1.00 0.00 H new ATOM 729 N LYS A 48 2.961 -2.032 9.093 1.00 0.00 N ATOM 730 CA LYS A 48 4.206 -2.559 8.538 1.00 0.00 C ATOM 731 C LYS A 48 5.065 -1.423 7.983 1.00 0.00 C ATOM 732 O LYS A 48 6.292 -1.445 8.109 1.00 0.00 O ATOM 733 CB LYS A 48 3.919 -3.590 7.439 1.00 0.00 C ATOM 734 CG LYS A 48 4.558 -4.949 7.689 1.00 0.00 C ATOM 735 CD LYS A 48 6.066 -4.838 7.874 1.00 0.00 C ATOM 736 CE LYS A 48 6.452 -4.846 9.347 1.00 0.00 C ATOM 737 NZ LYS A 48 7.278 -3.660 9.717 1.00 0.00 N ATOM 0 H LYS A 48 2.134 -2.226 8.529 1.00 0.00 H new ATOM 0 HA LYS A 48 4.753 -3.054 9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.840 -3.718 7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.277 -3.200 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.115 -5.402 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.342 -5.612 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.558 -5.666 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.424 -3.920 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.549 -4.863 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.006 -5.757 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.182 -3.475 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.276 -3.848 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.952 -2.830 9.182 1.00 0.00 H new ATOM 751 N HIS A 49 4.408 -0.426 7.383 1.00 0.00 N ATOM 752 CA HIS A 49 5.093 0.734 6.823 1.00 0.00 C ATOM 753 C HIS A 49 5.034 1.910 7.800 1.00 0.00 C ATOM 754 O HIS A 49 4.666 3.026 7.426 1.00 0.00 O ATOM 755 CB HIS A 49 4.456 1.132 5.487 1.00 0.00 C ATOM 756 CG HIS A 49 5.075 0.468 4.300 1.00 0.00 C ATOM 757 ND1 HIS A 49 6.176 0.788 3.586 1.00 0.00 N flip ATOM 758 CD2 HIS A 49 4.554 -0.662 3.713 1.00 0.00 C flip ATOM 759 CE1 HIS A 49 6.304 -0.147 2.587 1.00 0.00 C flip ATOM 760 NE2 HIS A 49 5.310 -1.011 2.687 1.00 0.00 N flip ATOM 0 H HIS A 49 3.394 -0.403 7.274 1.00 0.00 H new ATOM 0 HA HIS A 49 6.137 0.470 6.653 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.394 0.888 5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.532 2.213 5.367 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.798 1.578 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.666 -1.182 4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.087 -0.171 1.844 1.00 0.00 H new ATOM 769 N ASN A 50 5.392 1.653 9.058 1.00 0.00 N ATOM 770 CA ASN A 50 5.375 2.690 10.090 1.00 0.00 C ATOM 771 C ASN A 50 6.568 3.641 9.932 1.00 0.00 C ATOM 772 O ASN A 50 7.374 3.811 10.850 1.00 0.00 O ATOM 773 CB ASN A 50 5.369 2.053 11.489 1.00 0.00 C ATOM 774 CG ASN A 50 4.086 2.335 12.252 1.00 0.00 C ATOM 775 OD1 ASN A 50 3.290 1.431 12.499 1.00 0.00 O ATOM 776 ND2 ASN A 50 3.876 3.592 12.635 1.00 0.00 N ATOM 0 H ASN A 50 5.697 0.737 9.387 1.00 0.00 H new ATOM 0 HA ASN A 50 4.463 3.274 9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.502 0.975 11.394 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.218 2.430 12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.031 3.833 13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.560 4.314 12.411 1.00 0.00 H new ATOM 783 N LEU A 51 6.666 4.262 8.755 1.00 0.00 N ATOM 784 CA LEU A 51 7.744 5.201 8.453 1.00 0.00 C ATOM 785 C LEU A 51 7.196 6.391 7.666 1.00 0.00 C ATOM 786 O LEU A 51 7.366 6.476 6.447 1.00 0.00 O ATOM 787 CB LEU A 51 8.856 4.503 7.660 1.00 0.00 C ATOM 788 CG LEU A 51 9.381 3.203 8.277 1.00 0.00 C ATOM 789 CD1 LEU A 51 8.696 1.996 7.652 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.890 3.108 8.113 1.00 0.00 C ATOM 0 H LEU A 51 6.004 4.129 7.990 1.00 0.00 H new ATOM 0 HA LEU A 51 8.166 5.563 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.485 4.287 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.690 5.196 7.548 1.00 0.00 H new ATOM 0 HG LEU A 51 9.150 3.211 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.083 1.083 8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.621 2.058 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.892 1.981 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.246 2.178 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.142 3.124 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.364 3.953 8.612 1.00 0.00 H new ATOM 802 N GLU A 52 6.514 7.296 8.375 1.00 0.00 N ATOM 803 CA GLU A 52 5.907 8.478 7.759 1.00 0.00 C ATOM 804 C GLU A 52 4.792 8.080 6.779 1.00 0.00 C ATOM 805 O GLU A 52 4.436 8.848 5.882 1.00 0.00 O ATOM 806 CB GLU A 52 6.972 9.315 7.040 1.00 0.00 C ATOM 807 CG GLU A 52 8.053 9.859 7.965 1.00 0.00 C ATOM 808 CD GLU A 52 9.443 9.380 7.588 1.00 0.00 C ATOM 809 OE1 GLU A 52 9.767 8.208 7.877 1.00 0.00 O ATOM 810 OE2 GLU A 52 10.208 10.178 7.007 1.00 0.00 O ATOM 0 H GLU A 52 6.368 7.231 9.382 1.00 0.00 H new ATOM 0 HA GLU A 52 5.464 9.080 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.441 8.705 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.485 10.149 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.030 10.949 7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.835 9.557 8.989 1.00 0.00 H new ATOM 817 N GLU A 53 4.244 6.872 6.964 1.00 0.00 N ATOM 818 CA GLU A 53 3.175 6.363 6.107 1.00 0.00 C ATOM 819 C GLU A 53 2.025 5.803 6.952 1.00 0.00 C ATOM 820 O GLU A 53 1.599 4.659 6.765 1.00 0.00 O ATOM 821 CB GLU A 53 3.725 5.278 5.168 1.00 0.00 C ATOM 822 CG GLU A 53 5.017 5.672 4.460 1.00 0.00 C ATOM 823 CD GLU A 53 5.949 4.497 4.211 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.396 3.867 5.194 1.00 0.00 O ATOM 825 OE2 GLU A 53 6.240 4.213 3.031 1.00 0.00 O ATOM 0 H GLU A 53 4.528 6.230 7.704 1.00 0.00 H new ATOM 0 HA GLU A 53 2.789 7.187 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.900 4.368 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.969 5.042 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.772 6.141 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.538 6.419 5.059 1.00 0.00 H new ATOM 832 N GLU A 54 1.534 6.614 7.892 1.00 0.00 N ATOM 833 CA GLU A 54 0.446 6.201 8.777 1.00 0.00 C ATOM 834 C GLU A 54 -0.813 7.047 8.557 1.00 0.00 C ATOM 835 O GLU A 54 -1.160 7.895 9.383 1.00 0.00 O ATOM 836 CB GLU A 54 0.900 6.289 10.238 1.00 0.00 C ATOM 837 CG GLU A 54 -0.116 5.737 11.228 1.00 0.00 C ATOM 838 CD GLU A 54 0.526 4.954 12.357 1.00 0.00 C ATOM 839 OE1 GLU A 54 0.978 3.817 12.108 1.00 0.00 O ATOM 840 OE2 GLU A 54 0.571 5.475 13.492 1.00 0.00 O ATOM 0 H GLU A 54 1.874 7.561 8.059 1.00 0.00 H new ATOM 0 HA GLU A 54 0.192 5.168 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.838 5.745 10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.105 7.331 10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.693 6.562 11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.818 5.093 10.699 1.00 0.00 H new ATOM 847 N GLU A 55 -1.501 6.799 7.443 1.00 0.00 N ATOM 848 CA GLU A 55 -2.731 7.521 7.114 1.00 0.00 C ATOM 849 C GLU A 55 -3.768 6.562 6.521 1.00 0.00 C ATOM 850 O GLU A 55 -3.738 6.260 5.328 1.00 0.00 O ATOM 851 CB GLU A 55 -2.442 8.668 6.138 1.00 0.00 C ATOM 852 CG GLU A 55 -1.485 9.718 6.689 1.00 0.00 C ATOM 853 CD GLU A 55 -0.211 9.849 5.875 1.00 0.00 C ATOM 854 OE1 GLU A 55 0.521 8.842 5.739 1.00 0.00 O ATOM 855 OE2 GLU A 55 0.061 10.960 5.374 1.00 0.00 O ATOM 0 H GLU A 55 -1.227 6.102 6.751 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.135 7.948 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.024 8.255 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.382 9.151 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.991 10.683 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.228 9.462 7.717 1.00 0.00 H new ATOM 862 N PRO A 56 -4.691 6.053 7.362 1.00 0.00 N ATOM 863 CA PRO A 56 -5.732 5.104 6.932 1.00 0.00 C ATOM 864 C PRO A 56 -6.620 5.641 5.809 1.00 0.00 C ATOM 865 O PRO A 56 -6.850 4.956 4.813 1.00 0.00 O ATOM 866 CB PRO A 56 -6.561 4.876 8.202 1.00 0.00 C ATOM 867 CG PRO A 56 -5.657 5.248 9.325 1.00 0.00 C ATOM 868 CD PRO A 56 -4.779 6.348 8.804 1.00 0.00 C ATOM 0 HA PRO A 56 -5.289 4.198 6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.462 5.490 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.883 3.838 8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.228 5.582 10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.062 4.393 9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.212 7.331 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.797 6.339 9.278 1.00 0.00 H new ATOM 876 N GLU A 57 -7.125 6.861 5.984 1.00 0.00 N ATOM 877 CA GLU A 57 -8.003 7.483 4.992 1.00 0.00 C ATOM 878 C GLU A 57 -7.248 8.493 4.122 1.00 0.00 C ATOM 879 O GLU A 57 -7.705 9.621 3.921 1.00 0.00 O ATOM 880 CB GLU A 57 -9.187 8.162 5.693 1.00 0.00 C ATOM 881 CG GLU A 57 -8.773 9.201 6.728 1.00 0.00 C ATOM 882 CD GLU A 57 -8.667 8.628 8.129 1.00 0.00 C ATOM 883 OE1 GLU A 57 -7.571 8.151 8.493 1.00 0.00 O ATOM 884 OE2 GLU A 57 -9.678 8.655 8.860 1.00 0.00 O ATOM 0 H GLU A 57 -6.942 7.439 6.804 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.376 6.698 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.816 8.641 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.795 7.400 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.812 9.629 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.497 10.016 6.728 1.00 0.00 H new ATOM 891 N ASP A 58 -6.091 8.080 3.602 1.00 0.00 N ATOM 892 CA ASP A 58 -5.279 8.949 2.753 1.00 0.00 C ATOM 893 C ASP A 58 -4.403 8.144 1.786 1.00 0.00 C ATOM 894 O ASP A 58 -3.299 8.574 1.440 1.00 0.00 O ATOM 895 CB ASP A 58 -4.401 9.847 3.629 1.00 0.00 C ATOM 896 CG ASP A 58 -4.690 11.321 3.428 1.00 0.00 C ATOM 897 OD1 ASP A 58 -4.377 11.846 2.339 1.00 0.00 O ATOM 898 OD2 ASP A 58 -5.235 11.949 4.359 1.00 0.00 O ATOM 0 H ASP A 58 -5.697 7.151 3.754 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.954 9.560 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.556 9.590 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.352 9.653 3.405 1.00 0.00 H new ATOM 903 N TYR A 59 -4.884 6.974 1.354 1.00 0.00 N ATOM 904 CA TYR A 59 -4.113 6.131 0.441 1.00 0.00 C ATOM 905 C TYR A 59 -4.993 5.431 -0.599 1.00 0.00 C ATOM 906 O TYR A 59 -6.212 5.336 -0.449 1.00 0.00 O ATOM 907 CB TYR A 59 -3.343 5.075 1.236 1.00 0.00 C ATOM 908 CG TYR A 59 -2.040 5.573 1.810 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.026 6.419 2.907 1.00 0.00 C ATOM 910 CD2 TYR A 59 -0.825 5.194 1.259 1.00 0.00 C ATOM 911 CE1 TYR A 59 -0.842 6.875 3.440 1.00 0.00 C ATOM 912 CE2 TYR A 59 0.369 5.645 1.787 1.00 0.00 C ATOM 913 CZ TYR A 59 0.355 6.486 2.878 1.00 0.00 C ATOM 914 OH TYR A 59 1.542 6.943 3.406 1.00 0.00 O ATOM 0 H TYR A 59 -5.793 6.594 1.619 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.426 6.787 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.973 4.715 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.141 4.222 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.961 6.726 3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.812 4.535 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.851 7.535 4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.307 5.340 1.347 1.00 0.00 H new ATOM 0 HH TYR A 59 1.357 7.626 4.084 1.00 0.00 H new ATOM 924 N GLU A 60 -4.339 4.922 -1.640 1.00 0.00 N ATOM 925 CA GLU A 60 -5.002 4.196 -2.718 1.00 0.00 C ATOM 926 C GLU A 60 -4.506 2.751 -2.743 1.00 0.00 C ATOM 927 O GLU A 60 -3.373 2.472 -2.340 1.00 0.00 O ATOM 928 CB GLU A 60 -4.727 4.867 -4.067 1.00 0.00 C ATOM 929 CG GLU A 60 -5.722 5.962 -4.419 1.00 0.00 C ATOM 930 CD GLU A 60 -5.394 6.653 -5.729 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.292 7.235 -5.836 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.236 6.609 -6.651 1.00 0.00 O ATOM 0 H GLU A 60 -3.329 5.002 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.077 4.207 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.723 5.291 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.743 4.109 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.722 5.532 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.741 6.701 -3.618 1.00 0.00 H new ATOM 939 N LEU A 61 -5.352 1.834 -3.204 1.00 0.00 N ATOM 940 CA LEU A 61 -4.981 0.422 -3.257 1.00 0.00 C ATOM 941 C LEU A 61 -4.789 -0.064 -4.692 1.00 0.00 C ATOM 942 O LEU A 61 -5.753 -0.224 -5.441 1.00 0.00 O ATOM 943 CB LEU A 61 -6.036 -0.429 -2.548 1.00 0.00 C ATOM 944 CG LEU A 61 -5.567 -1.082 -1.246 1.00 0.00 C ATOM 945 CD1 LEU A 61 -6.602 -0.895 -0.149 1.00 0.00 C ATOM 946 CD2 LEU A 61 -5.280 -2.559 -1.465 1.00 0.00 C ATOM 0 H LEU A 61 -6.291 2.040 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.026 0.315 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.902 0.197 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.370 -1.211 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.644 -0.595 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.249 -1.367 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.758 0.169 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.543 -1.354 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.948 -3.008 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.187 -3.059 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.500 -2.670 -2.218 1.00 0.00 H new ATOM 958 N LEU A 62 -3.533 -0.311 -5.059 1.00 0.00 N ATOM 959 CA LEU A 62 -3.192 -0.797 -6.396 1.00 0.00 C ATOM 960 C LEU A 62 -2.643 -2.222 -6.314 1.00 0.00 C ATOM 961 O LEU A 62 -2.291 -2.687 -5.232 1.00 0.00 O ATOM 962 CB LEU A 62 -2.158 0.127 -7.049 1.00 0.00 C ATOM 963 CG LEU A 62 -2.586 1.591 -7.183 1.00 0.00 C ATOM 964 CD1 LEU A 62 -2.266 2.364 -5.912 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.907 2.235 -8.383 1.00 0.00 C ATOM 0 H LEU A 62 -2.729 -0.182 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.095 -0.801 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.238 0.086 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.924 -0.259 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.665 1.620 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.578 3.402 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.797 1.918 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.193 2.327 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.222 3.275 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.825 2.192 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.187 1.699 -9.290 1.00 0.00 H new ATOM 977 N GLN A 63 -2.569 -2.917 -7.451 1.00 0.00 N ATOM 978 CA GLN A 63 -2.053 -4.289 -7.466 1.00 0.00 C ATOM 979 C GLN A 63 -1.435 -4.660 -8.812 1.00 0.00 C ATOM 980 O GLN A 63 -1.918 -4.250 -9.869 1.00 0.00 O ATOM 981 CB GLN A 63 -3.160 -5.288 -7.113 1.00 0.00 C ATOM 982 CG GLN A 63 -2.773 -6.255 -6.000 1.00 0.00 C ATOM 983 CD GLN A 63 -2.113 -7.523 -6.515 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.055 -7.478 -7.134 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.732 -8.667 -6.255 1.00 0.00 N ATOM 0 H GLN A 63 -2.855 -2.559 -8.362 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.266 -4.337 -6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.052 -4.739 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.422 -5.858 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.094 -5.753 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.664 -6.521 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.611 -8.665 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.329 -9.549 -6.573 1.00 0.00 H new ATOM 994 N ILE A 64 -0.369 -5.457 -8.750 1.00 0.00 N ATOM 995 CA ILE A 64 0.334 -5.927 -9.939 1.00 0.00 C ATOM 996 C ILE A 64 0.120 -7.432 -10.113 1.00 0.00 C ATOM 997 O ILE A 64 0.557 -8.229 -9.277 1.00 0.00 O ATOM 998 CB ILE A 64 1.848 -5.637 -9.846 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.100 -4.136 -9.670 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.571 -6.159 -11.081 1.00 0.00 C ATOM 1001 CD1 ILE A 64 2.751 -3.784 -8.350 1.00 0.00 C ATOM 0 H ILE A 64 0.030 -5.794 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.071 -5.392 -10.798 1.00 0.00 H new ATOM 0 HB ILE A 64 2.242 -6.156 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.734 -3.784 -10.484 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.152 -3.604 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.636 -5.945 -10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.422 -7.236 -11.162 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.172 -5.670 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.900 -2.706 -8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.108 -4.105 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.715 -4.287 -8.274 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.569 -7.816 -11.188 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.856 -9.226 -11.452 1.00 0.00 C ATOM 1015 C LEU A 65 -0.482 -9.622 -12.882 1.00 0.00 C ATOM 1016 O LEU A 65 -0.003 -8.799 -13.663 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.342 -9.505 -11.202 1.00 0.00 C ATOM 1018 CG LEU A 65 -2.814 -9.262 -9.766 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.231 -8.711 -9.750 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.732 -10.544 -8.957 1.00 0.00 C ATOM 0 H LEU A 65 -0.938 -7.172 -11.888 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.249 -9.826 -10.774 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.931 -8.880 -11.873 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.551 -10.542 -11.467 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.156 -8.522 -9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.546 -8.546 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.260 -7.767 -10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.904 -9.425 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.071 -10.354 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.365 -11.304 -9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.701 -10.896 -8.936 1.00 0.00 H new ATOM 1032 N SER A 66 -0.716 -10.892 -13.217 1.00 0.00 N ATOM 1033 CA SER A 66 -0.420 -11.409 -14.553 1.00 0.00 C ATOM 1034 C SER A 66 -1.533 -11.024 -15.521 1.00 0.00 C ATOM 1035 O SER A 66 -1.309 -10.271 -16.470 1.00 0.00 O ATOM 1036 CB SER A 66 -0.251 -12.933 -14.518 1.00 0.00 C ATOM 1037 OG SER A 66 -1.261 -13.543 -13.729 1.00 0.00 O ATOM 0 H SER A 66 -1.111 -11.583 -12.579 1.00 0.00 H new ATOM 0 HA SER A 66 0.516 -10.968 -14.896 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.289 -13.329 -15.533 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.730 -13.184 -14.115 1.00 0.00 H new ATOM 0 HG SER A 66 -1.131 -14.514 -13.725 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.739 -11.527 -15.257 1.00 0.00 N ATOM 1044 CA ASP A 67 -3.899 -11.217 -16.087 1.00 0.00 C ATOM 1045 C ASP A 67 -4.295 -9.753 -15.897 1.00 0.00 C ATOM 1046 O ASP A 67 -4.686 -9.074 -16.849 1.00 0.00 O ATOM 1047 CB ASP A 67 -5.072 -12.138 -15.735 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.674 -13.603 -15.723 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -4.770 -14.252 -16.784 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -4.259 -14.097 -14.653 1.00 0.00 O ATOM 0 H ASP A 67 -2.936 -12.151 -14.474 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.638 -11.381 -17.133 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.465 -11.863 -14.756 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.876 -11.989 -16.455 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.159 -9.270 -14.660 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.468 -7.885 -14.328 1.00 0.00 C ATOM 1057 C ASP A 68 -3.172 -7.115 -14.072 1.00 0.00 C ATOM 1058 O ASP A 68 -2.930 -6.639 -12.961 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.386 -7.818 -13.100 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.574 -8.753 -13.208 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -7.507 -8.443 -13.979 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -6.570 -9.795 -12.521 1.00 0.00 O ATOM 0 H ASP A 68 -3.834 -9.826 -13.869 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.992 -7.428 -15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.812 -8.068 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.743 -6.796 -12.973 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.340 -7.031 -15.121 1.00 0.00 N ATOM 1068 CA ARG A 69 -1.034 -6.348 -15.075 1.00 0.00 C ATOM 1069 C ARG A 69 -0.926 -5.360 -13.912 1.00 0.00 C ATOM 1070 O ARG A 69 -0.121 -5.556 -13.002 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.744 -5.630 -16.404 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.985 -5.221 -17.194 1.00 0.00 C ATOM 1073 CD ARG A 69 -2.264 -6.170 -18.355 1.00 0.00 C ATOM 1074 NE ARG A 69 -1.100 -6.336 -19.231 1.00 0.00 N ATOM 1075 CZ ARG A 69 -0.276 -7.388 -19.203 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -0.468 -8.381 -18.343 1.00 0.00 N ATOM 1077 NH2 ARG A 69 0.747 -7.443 -20.043 1.00 0.00 N ATOM 0 H ARG A 69 -2.554 -7.437 -16.032 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.286 -7.124 -14.914 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.152 -4.739 -16.198 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.132 -6.282 -17.027 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.848 -5.200 -16.528 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.853 -4.209 -17.577 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.562 -7.142 -17.963 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.103 -5.790 -18.938 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.906 -5.598 -19.908 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.253 -8.347 -17.692 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.169 -9.178 -18.333 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.903 -6.685 -20.707 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.379 -8.244 -20.026 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.743 -4.307 -13.942 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.736 -3.303 -12.881 1.00 0.00 C ATOM 1093 C LYS A 70 -3.124 -2.687 -12.700 1.00 0.00 C ATOM 1094 O LYS A 70 -3.709 -2.162 -13.649 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.708 -2.210 -13.184 1.00 0.00 C ATOM 1096 CG LYS A 70 0.564 -2.324 -12.357 1.00 0.00 C ATOM 1097 CD LYS A 70 1.639 -3.114 -13.089 1.00 0.00 C ATOM 1098 CE LYS A 70 2.734 -2.207 -13.629 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.995 -2.321 -12.841 1.00 0.00 N ATOM 0 H LYS A 70 -2.416 -4.128 -14.688 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.458 -3.799 -11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.448 -2.250 -14.242 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.162 -1.236 -13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.939 -1.327 -12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.339 -2.809 -11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.076 -3.848 -12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.187 -3.668 -13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.933 -2.460 -14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.389 -1.173 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.714 -1.686 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.812 -2.055 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.340 -3.302 -12.877 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.640 -2.759 -11.474 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.959 -2.212 -11.150 1.00 0.00 C ATOM 1115 C LEU A 71 -4.864 -1.195 -10.012 1.00 0.00 C ATOM 1116 O LEU A 71 -3.965 -1.276 -9.176 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.923 -3.342 -10.766 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.560 -4.107 -9.488 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -6.439 -3.665 -8.329 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.685 -5.606 -9.712 1.00 0.00 C ATOM 0 H LEU A 71 -3.163 -3.193 -10.684 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.342 -1.703 -12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.921 -2.921 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.973 -4.051 -11.592 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.524 -3.881 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.165 -4.220 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.299 -2.598 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.484 -3.859 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.424 -6.134 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.711 -5.848 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.010 -5.912 -10.512 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.795 -0.240 -9.987 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.811 0.789 -8.949 1.00 0.00 C ATOM 1134 C LYS A 72 -7.230 1.040 -8.439 1.00 0.00 C ATOM 1135 O LYS A 72 -8.124 1.402 -9.206 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.203 2.090 -9.485 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.325 3.268 -8.528 1.00 0.00 C ATOM 1138 CD LYS A 72 -5.188 4.598 -9.256 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.045 5.431 -8.694 1.00 0.00 C ATOM 1140 NZ LYS A 72 -4.331 6.892 -8.769 1.00 0.00 N ATOM 0 H LYS A 72 -6.546 -0.159 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.211 0.433 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.149 1.923 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.690 2.347 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.289 3.228 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.557 3.193 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.019 4.416 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.120 5.156 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.867 5.149 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.131 5.212 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.543 7.422 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.442 7.173 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.208 7.101 -8.250 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.420 0.852 -7.134 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.719 1.059 -6.499 1.00 0.00 C ATOM 1156 C ILE A 73 -8.645 2.203 -5.484 1.00 0.00 C ATOM 1157 O ILE A 73 -7.689 2.292 -4.710 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.215 -0.226 -5.795 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.223 -1.408 -6.773 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.602 -0.019 -5.200 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.075 -1.179 -8.005 1.00 0.00 C ATOM 0 H ILE A 73 -6.685 0.555 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.429 1.318 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.526 -0.453 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.199 -1.616 -7.085 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.585 -2.295 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.929 -0.937 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.568 0.789 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.304 0.239 -5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.030 -2.058 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.108 -1.001 -7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.701 -0.312 -8.550 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.652 3.101 -5.483 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.698 4.254 -4.565 1.00 0.00 C ATOM 1175 C PRO A 74 -9.846 3.849 -3.094 1.00 0.00 C ATOM 1176 O PRO A 74 -9.751 2.669 -2.749 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.932 5.037 -5.037 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.776 4.033 -5.743 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.820 3.072 -6.385 1.00 0.00 C ATOM 0 HA PRO A 74 -8.771 4.826 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.465 5.479 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.651 5.854 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.437 3.519 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.410 4.511 -6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.245 2.071 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.555 3.383 -7.396 1.00 0.00 H new ATOM 1187 N GLU A 75 -10.074 4.848 -2.232 1.00 0.00 N ATOM 1188 CA GLU A 75 -10.234 4.626 -0.790 1.00 0.00 C ATOM 1189 C GLU A 75 -11.217 3.489 -0.488 1.00 0.00 C ATOM 1190 O GLU A 75 -11.050 2.766 0.494 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.708 5.912 -0.106 1.00 0.00 C ATOM 1192 CG GLU A 75 -9.620 6.966 0.036 1.00 0.00 C ATOM 1193 CD GLU A 75 -9.081 7.067 1.451 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -9.818 7.554 2.334 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -7.923 6.661 1.675 1.00 0.00 O ATOM 0 H GLU A 75 -10.152 5.826 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.259 4.337 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.536 6.332 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.094 5.666 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.801 6.731 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.017 7.935 -0.267 1.00 0.00 H new ATOM 1202 N ASN A 76 -12.236 3.330 -1.336 1.00 0.00 N ATOM 1203 CA ASN A 76 -13.234 2.272 -1.150 1.00 0.00 C ATOM 1204 C ASN A 76 -12.727 0.931 -1.702 1.00 0.00 C ATOM 1205 O ASN A 76 -13.414 0.264 -2.481 1.00 0.00 O ATOM 1206 CB ASN A 76 -14.563 2.659 -1.818 1.00 0.00 C ATOM 1207 CG ASN A 76 -14.389 3.153 -3.246 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -14.208 2.361 -4.170 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -14.439 4.468 -3.435 1.00 0.00 N ATOM 0 H ASN A 76 -12.392 3.917 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.404 2.155 -0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.229 1.796 -1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.047 3.436 -1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.325 4.853 -4.373 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.591 5.092 -2.642 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.522 0.537 -1.287 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.920 -0.717 -1.739 1.00 0.00 C ATOM 1218 C ALA A 77 -11.450 -1.931 -0.964 1.00 0.00 C ATOM 1219 O ALA A 77 -10.686 -2.829 -0.601 1.00 0.00 O ATOM 1220 CB ALA A 77 -9.404 -0.633 -1.633 1.00 0.00 C ATOM 0 H ALA A 77 -10.943 1.070 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.202 -0.860 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.963 -1.571 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.040 0.184 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.121 -0.453 -0.596 1.00 0.00 H new ATOM 1226 N ASN A 78 -12.765 -1.972 -0.740 1.00 0.00 N ATOM 1227 CA ASN A 78 -13.391 -3.093 -0.041 1.00 0.00 C ATOM 1228 C ASN A 78 -13.499 -4.292 -0.985 1.00 0.00 C ATOM 1229 O ASN A 78 -13.285 -5.436 -0.579 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.772 -2.679 0.502 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.896 -3.624 0.102 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.957 -4.764 0.561 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.793 -3.153 -0.755 1.00 0.00 N ATOM 0 H ASN A 78 -13.415 -1.242 -1.033 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.774 -3.381 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.724 -2.626 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.008 -1.677 0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.569 -3.742 -1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.707 -2.202 -1.112 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.816 -4.009 -2.251 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.937 -5.048 -3.274 1.00 0.00 C ATOM 1242 C VAL A 79 -12.574 -5.377 -3.901 1.00 0.00 C ATOM 1243 O VAL A 79 -12.451 -6.339 -4.662 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.921 -4.631 -4.392 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.355 -5.840 -5.208 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -16.133 -3.917 -3.808 1.00 0.00 C ATOM 0 H VAL A 79 -13.994 -3.064 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.324 -5.935 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.403 -3.938 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -16.047 -5.523 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.481 -6.304 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.849 -6.561 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.811 -3.633 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.649 -4.583 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.807 -3.023 -3.276 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.551 -4.575 -3.571 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.196 -4.774 -4.090 1.00 0.00 C ATOM 1258 C PHE A 80 -9.738 -6.226 -3.917 1.00 0.00 C ATOM 1259 O PHE A 80 -9.119 -6.799 -4.815 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.228 -3.822 -3.373 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.783 -4.000 -3.753 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -7.025 -5.018 -3.197 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -7.182 -3.142 -4.660 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.697 -5.177 -3.539 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.854 -3.296 -5.004 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.111 -4.314 -4.444 1.00 0.00 C ATOM 0 H PHE A 80 -11.641 -3.777 -2.942 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.201 -4.555 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.523 -2.795 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.328 -3.965 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.478 -5.695 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.759 -2.344 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.117 -5.975 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.397 -2.620 -5.711 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.072 -4.436 -4.713 1.00 0.00 H new ATOM 1276 N TYR A 81 -10.045 -6.812 -2.758 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.662 -8.192 -2.466 1.00 0.00 C ATOM 1278 C TYR A 81 -10.339 -9.185 -3.413 1.00 0.00 C ATOM 1279 O TYR A 81 -9.733 -10.182 -3.804 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.988 -8.537 -1.014 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.957 -8.020 -0.038 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -7.708 -8.618 0.062 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -9.230 -6.930 0.776 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -6.759 -8.145 0.947 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -8.287 -6.452 1.664 1.00 0.00 C ATOM 1286 CZ TYR A 81 -7.053 -7.063 1.747 1.00 0.00 C ATOM 1287 OH TYR A 81 -6.110 -6.589 2.632 1.00 0.00 O ATOM 0 H TYR A 81 -10.558 -6.351 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.586 -8.273 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.963 -8.122 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.066 -9.619 -0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.475 -9.467 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.195 -6.448 0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.792 -8.621 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.515 -5.603 2.291 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.756 -7.333 3.163 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.589 -8.909 -3.784 1.00 0.00 N ATOM 1298 CA ALA A 82 -12.334 -9.786 -4.689 1.00 0.00 C ATOM 1299 C ALA A 82 -11.865 -9.655 -6.146 1.00 0.00 C ATOM 1300 O ALA A 82 -12.294 -10.426 -7.007 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.825 -9.493 -4.589 1.00 0.00 C ATOM 0 H ALA A 82 -12.107 -8.087 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.141 -10.813 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.371 -10.150 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.162 -9.664 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.011 -8.455 -4.863 1.00 0.00 H new ATOM 1307 N MET A 83 -10.993 -8.679 -6.423 1.00 0.00 N ATOM 1308 CA MET A 83 -10.489 -8.461 -7.779 1.00 0.00 C ATOM 1309 C MET A 83 -8.994 -8.770 -7.891 1.00 0.00 C ATOM 1310 O MET A 83 -8.565 -9.450 -8.825 1.00 0.00 O ATOM 1311 CB MET A 83 -10.754 -7.015 -8.212 1.00 0.00 C ATOM 1312 CG MET A 83 -12.230 -6.687 -8.378 1.00 0.00 C ATOM 1313 SD MET A 83 -12.920 -7.341 -9.910 1.00 0.00 S ATOM 1314 CE MET A 83 -12.121 -6.290 -11.119 1.00 0.00 C ATOM 0 H MET A 83 -10.624 -8.031 -5.727 1.00 0.00 H new ATOM 0 HA MET A 83 -11.020 -9.146 -8.440 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.321 -6.339 -7.474 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.241 -6.828 -9.155 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.785 -7.092 -7.532 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.362 -5.605 -8.357 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.704 -6.287 -12.040 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.052 -5.274 -10.729 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.120 -6.668 -11.325 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.202 -8.255 -6.949 1.00 0.00 N ATOM 1325 CA ASN A 84 -6.753 -8.464 -6.960 1.00 0.00 C ATOM 1326 C ASN A 84 -6.367 -9.910 -6.615 1.00 0.00 C ATOM 1327 O ASN A 84 -5.312 -10.384 -7.036 1.00 0.00 O ATOM 1328 CB ASN A 84 -6.065 -7.481 -5.997 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.746 -8.093 -4.643 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.583 -8.252 -4.280 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.778 -8.440 -3.890 1.00 0.00 N ATOM 0 H ASN A 84 -8.539 -7.691 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.408 -8.275 -7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.142 -7.122 -6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.708 -6.613 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.622 -8.856 -2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.729 -8.291 -4.228 1.00 0.00 H new ATOM 1338 N SER A 85 -7.211 -10.602 -5.844 1.00 0.00 N ATOM 1339 CA SER A 85 -6.927 -11.984 -5.448 1.00 0.00 C ATOM 1340 C SER A 85 -7.181 -12.961 -6.600 1.00 0.00 C ATOM 1341 O SER A 85 -8.129 -13.748 -6.563 1.00 0.00 O ATOM 1342 CB SER A 85 -7.765 -12.380 -4.229 1.00 0.00 C ATOM 1343 OG SER A 85 -7.580 -11.465 -3.162 1.00 0.00 O ATOM 0 H SER A 85 -8.090 -10.231 -5.484 1.00 0.00 H new ATOM 0 HA SER A 85 -5.871 -12.038 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.819 -12.414 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.488 -13.383 -3.904 1.00 0.00 H new ATOM 0 HG SER A 85 -8.131 -10.669 -3.315 1.00 0.00 H new ATOM 1349 N THR A 86 -6.320 -12.909 -7.617 1.00 0.00 N ATOM 1350 CA THR A 86 -6.441 -13.793 -8.778 1.00 0.00 C ATOM 1351 C THR A 86 -5.261 -14.767 -8.851 1.00 0.00 C ATOM 1352 O THR A 86 -5.447 -15.956 -9.110 1.00 0.00 O ATOM 1353 CB THR A 86 -6.548 -12.976 -10.076 1.00 0.00 C ATOM 1354 OG1 THR A 86 -6.717 -13.830 -11.196 1.00 0.00 O ATOM 1355 CG2 THR A 86 -5.348 -12.092 -10.350 1.00 0.00 C ATOM 0 H THR A 86 -5.531 -12.264 -7.661 1.00 0.00 H new ATOM 0 HA THR A 86 -7.355 -14.376 -8.662 1.00 0.00 H new ATOM 0 HB THR A 86 -7.416 -12.333 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.785 -13.291 -12.011 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.501 -11.549 -11.283 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.225 -11.381 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.453 -12.709 -10.432 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.050 -14.256 -8.614 1.00 0.00 N ATOM 1364 CA ALA A 87 -2.842 -15.079 -8.646 1.00 0.00 C ATOM 1365 C ALA A 87 -1.765 -14.503 -7.726 1.00 0.00 C ATOM 1366 O ALA A 87 -1.403 -15.116 -6.721 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.323 -15.202 -10.073 1.00 0.00 C ATOM 0 H ALA A 87 -3.882 -13.274 -8.398 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.096 -16.075 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.423 -15.817 -10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.086 -15.666 -10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.088 -14.211 -10.461 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.269 -13.315 -8.076 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.243 -12.638 -7.284 1.00 0.00 C ATOM 1375 C ASN A 88 -0.882 -11.744 -6.218 1.00 0.00 C ATOM 1376 O ASN A 88 -2.100 -11.551 -6.209 1.00 0.00 O ATOM 1377 CB ASN A 88 0.662 -11.804 -8.199 1.00 0.00 C ATOM 1378 CG ASN A 88 2.044 -11.590 -7.610 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.305 -10.573 -6.971 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.937 -12.552 -7.814 1.00 0.00 N ATOM 0 H ASN A 88 -1.563 -12.801 -8.906 1.00 0.00 H new ATOM 0 HA ASN A 88 0.359 -13.395 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.755 -12.302 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.195 -10.836 -8.383 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.879 -12.462 -7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.680 -13.381 -8.350 1.00 0.00 H new ATOM 1387 N TYR A 89 -0.058 -11.198 -5.322 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.554 -10.325 -4.259 1.00 0.00 C ATOM 1389 C TYR A 89 0.372 -9.123 -4.036 1.00 0.00 C ATOM 1390 O TYR A 89 0.566 -8.677 -2.902 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.723 -11.121 -2.959 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.151 -11.163 -2.462 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.825 -9.995 -2.130 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -2.824 -12.371 -2.326 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.129 -10.029 -1.676 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.129 -12.412 -1.874 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.776 -11.238 -1.550 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.075 -11.275 -1.099 1.00 0.00 O ATOM 0 H TYR A 89 0.951 -11.345 -5.312 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.525 -9.938 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.371 -12.140 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.090 -10.682 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.321 -9.045 -2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.319 -13.292 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.639 -9.112 -1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.640 -13.358 -1.775 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.687 -11.138 -1.852 1.00 0.00 H new ATOM 1408 N ASP A 90 0.931 -8.594 -5.127 1.00 0.00 N ATOM 1409 CA ASP A 90 1.823 -7.439 -5.049 1.00 0.00 C ATOM 1410 C ASP A 90 1.028 -6.150 -5.208 1.00 0.00 C ATOM 1411 O ASP A 90 0.893 -5.618 -6.312 1.00 0.00 O ATOM 1412 CB ASP A 90 2.911 -7.536 -6.125 1.00 0.00 C ATOM 1413 CG ASP A 90 4.215 -8.090 -5.586 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.175 -9.105 -4.859 1.00 0.00 O ATOM 1415 OD2 ASP A 90 5.277 -7.511 -5.894 1.00 0.00 O ATOM 0 H ASP A 90 0.781 -8.947 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 90 2.304 -7.431 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.558 -8.172 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.088 -6.547 -6.548 1.00 0.00 H new ATOM 1420 N PHE A 91 0.486 -5.660 -4.097 1.00 0.00 N ATOM 1421 CA PHE A 91 -0.315 -4.447 -4.116 1.00 0.00 C ATOM 1422 C PHE A 91 0.500 -3.220 -3.709 1.00 0.00 C ATOM 1423 O PHE A 91 1.355 -3.284 -2.823 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.561 -4.632 -3.233 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.562 -3.858 -1.947 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -1.919 -2.519 -1.926 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -1.223 -4.478 -0.760 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.934 -1.813 -0.740 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.238 -3.780 0.430 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.594 -2.444 0.441 1.00 0.00 C ATOM 0 H PHE A 91 0.588 -6.085 -3.176 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.644 -4.265 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.440 -4.345 -3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.665 -5.692 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.188 -2.023 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.943 -5.521 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.211 -0.769 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.972 -4.276 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.606 -1.895 1.371 1.00 0.00 H new ATOM 1440 N VAL A 92 0.225 -2.105 -4.378 1.00 0.00 N ATOM 1441 CA VAL A 92 0.917 -0.849 -4.113 1.00 0.00 C ATOM 1442 C VAL A 92 0.050 0.083 -3.270 1.00 0.00 C ATOM 1443 O VAL A 92 -1.092 0.381 -3.628 1.00 0.00 O ATOM 1444 CB VAL A 92 1.308 -0.127 -5.423 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.241 1.041 -5.139 1.00 0.00 C ATOM 1446 CG2 VAL A 92 1.949 -1.096 -6.407 1.00 0.00 C ATOM 0 H VAL A 92 -0.479 -2.046 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 92 1.825 -1.098 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 92 0.397 0.265 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.503 1.534 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.743 1.753 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.147 0.674 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.215 -0.564 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.847 -1.525 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.245 -1.893 -6.644 1.00 0.00 H new ATOM 1456 N LEU A 93 0.608 0.545 -2.155 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.094 1.454 -1.258 1.00 0.00 C ATOM 1458 C LEU A 93 0.341 2.893 -1.537 1.00 0.00 C ATOM 1459 O LEU A 93 1.314 3.381 -0.963 1.00 0.00 O ATOM 1460 CB LEU A 93 0.186 1.068 0.201 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.436 1.982 1.257 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.952 1.852 1.256 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.125 1.667 2.636 1.00 0.00 C ATOM 0 H LEU A 93 1.551 0.302 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.168 1.379 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.176 0.053 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.265 1.049 0.352 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.180 3.012 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.374 2.511 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.340 2.131 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.229 0.821 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.330 2.328 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.097 0.631 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.205 1.816 2.632 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.373 3.558 -2.443 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.048 4.934 -2.823 1.00 0.00 C ATOM 1477 C LYS A 94 -0.821 5.948 -1.981 1.00 0.00 C ATOM 1478 O LYS A 94 -2.034 5.847 -1.838 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.351 5.150 -4.309 1.00 0.00 C ATOM 1480 CG LYS A 94 0.643 4.470 -5.239 1.00 0.00 C ATOM 1481 CD LYS A 94 0.369 4.810 -6.697 1.00 0.00 C ATOM 1482 CE LYS A 94 0.948 6.165 -7.077 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.417 6.096 -7.327 1.00 0.00 N ATOM 0 H LYS A 94 -1.181 3.168 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 94 1.015 5.089 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.352 4.776 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.358 6.220 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.656 4.777 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.591 3.390 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.797 4.039 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.706 4.811 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.446 6.536 -7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.749 6.881 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.703 6.889 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.926 6.154 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.647 5.197 -7.797 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.109 6.931 -1.431 1.00 0.00 N ATOM 1498 CA LYS A 95 -0.737 7.964 -0.610 1.00 0.00 C ATOM 1499 C LYS A 95 -1.457 8.997 -1.480 1.00 0.00 C ATOM 1500 O LYS A 95 -1.025 9.298 -2.595 1.00 0.00 O ATOM 1501 CB LYS A 95 0.310 8.658 0.270 1.00 0.00 C ATOM 1502 CG LYS A 95 -0.243 9.824 1.081 1.00 0.00 C ATOM 1503 CD LYS A 95 0.366 9.891 2.475 1.00 0.00 C ATOM 1504 CE LYS A 95 1.887 9.929 2.436 1.00 0.00 C ATOM 1505 NZ LYS A 95 2.479 9.977 3.804 1.00 0.00 N ATOM 0 H LYS A 95 0.900 7.033 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.475 7.480 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.741 7.925 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.121 9.020 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.045 10.758 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.326 9.727 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.005 10.777 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.040 9.027 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.258 9.049 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.214 10.800 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.393 9.481 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.623 10.968 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.834 9.516 4.478 1.00 0.00 H new ATOM 1519 N ARG A 96 -2.553 9.538 -0.952 1.00 0.00 N ATOM 1520 CA ARG A 96 -3.343 10.543 -1.657 1.00 0.00 C ATOM 1521 C ARG A 96 -2.562 11.856 -1.778 1.00 0.00 C ATOM 1522 O ARG A 96 -2.555 12.674 -0.857 1.00 0.00 O ATOM 1523 CB ARG A 96 -4.668 10.769 -0.918 1.00 0.00 C ATOM 1524 CG ARG A 96 -5.507 11.913 -1.468 1.00 0.00 C ATOM 1525 CD ARG A 96 -6.467 12.446 -0.415 1.00 0.00 C ATOM 1526 NE ARG A 96 -7.487 11.457 -0.057 1.00 0.00 N ATOM 1527 CZ ARG A 96 -7.872 11.182 1.192 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -7.360 11.838 2.224 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.785 10.247 1.406 1.00 0.00 N ATOM 0 H ARG A 96 -2.916 9.294 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.556 10.184 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.255 9.851 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.455 10.963 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.853 12.716 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.069 11.570 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.907 12.730 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.951 13.348 -0.788 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.935 10.942 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.661 12.565 2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.665 11.616 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.191 9.741 0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.083 10.033 2.358 1.00 0.00 H new ATOM 1543 N THR A 97 -1.899 12.040 -2.920 1.00 0.00 N ATOM 1544 CA THR A 97 -1.105 13.244 -3.169 1.00 0.00 C ATOM 1545 C THR A 97 -1.522 13.924 -4.477 1.00 0.00 C ATOM 1546 O THR A 97 -1.894 13.206 -5.433 1.00 0.00 O ATOM 1547 CB THR A 97 0.391 12.895 -3.192 1.00 0.00 C ATOM 1548 OG1 THR A 97 1.173 14.004 -2.789 1.00 0.00 O ATOM 1549 CG2 THR A 97 0.900 12.450 -4.549 1.00 0.00 C ATOM 1550 OXT THR A 97 -1.473 15.171 -4.534 1.00 0.00 O ATOM 0 H THR A 97 -1.896 11.369 -3.689 1.00 0.00 H new ATOM 0 HA THR A 97 -1.290 13.948 -2.358 1.00 0.00 H new ATOM 0 HB THR A 97 0.491 12.060 -2.499 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.947 13.690 -2.277 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.964 12.222 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.358 11.560 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.745 13.248 -5.275 1.00 0.00 H new