USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 741 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 82 SER OG : rot 101:sc= 0.799 USER MOD Set 1.2: A 104 THR OG1 : rot -18:sc= 1.66 USER MOD Set 2.1: A 52 SER OG : rot 103:sc= 1.15 USER MOD Set 2.2: A 83 SER OG : rot 178:sc= 1.08 USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 1.03 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -163:sc= 1.23 (180deg=-0.0322) USER MOD Set 4.1: A 28 SER OG : rot 48:sc= 0.988 USER MOD Set 4.2: A 64 THR OG1 : rot 93:sc= 1.88 USER MOD Set 5.1: A 20 GLN : amide:sc= 0 X(o=0.26,f=0.18) USER MOD Set 5.2: A 53 SER OG : rot 100:sc= 0.256 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00799) USER MOD Single : A 11 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.073) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -4.33! C(o=-4.3!,f=-4.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.11) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 150:sc= 1.99 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0278 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= 1.24 (180deg=-0.174) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 162:sc= -1.14 (180deg=-1.41) USER MOD Single : A 59 SER OG : rot 80:sc= 0.565 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.227) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0716) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 77 LYS NZ :NH3+ 149:sc= 1.2 (180deg=0.387) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 146:sc= 0.215 (180deg=0.00561) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 2.263 -10.632 4.190 1.00 0.00 N ATOM 61 CA LYS A 5 0.807 -10.703 4.194 1.00 0.00 C ATOM 62 C LYS A 5 0.186 -9.330 4.228 1.00 0.00 C ATOM 63 O LYS A 5 0.824 -8.304 4.029 1.00 0.00 O ATOM 64 CB LYS A 5 0.304 -11.602 5.347 1.00 0.00 C ATOM 65 CG LYS A 5 -0.624 -12.643 4.728 1.00 0.00 C ATOM 66 CD LYS A 5 -1.573 -13.246 5.764 1.00 0.00 C ATOM 67 CE LYS A 5 -2.306 -14.460 5.186 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.444 -15.656 5.179 1.00 0.00 N ATOM 0 HA LYS A 5 0.488 -11.165 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.140 -12.084 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.224 -11.011 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.204 -12.183 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.029 -13.436 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.011 -13.542 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.297 -12.495 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.202 -14.659 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.633 -14.240 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.990 -16.476 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.635 -15.497 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.098 -15.840 6.142 1.00 0.00 H new ATOM 78 N LEU A 6 -1.113 -9.349 4.427 1.00 0.00 N ATOM 79 CA LEU A 6 -1.968 -8.250 4.707 1.00 0.00 C ATOM 80 C LEU A 6 -2.643 -8.540 6.047 1.00 0.00 C ATOM 81 O LEU A 6 -2.731 -9.694 6.465 1.00 0.00 O ATOM 82 CB LEU A 6 -2.987 -8.201 3.588 1.00 0.00 C ATOM 83 CG LEU A 6 -2.545 -7.487 2.307 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.778 -7.294 1.462 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.765 -6.196 2.499 1.00 0.00 C ATOM 0 H LEU A 6 -1.633 -10.226 4.390 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.443 -7.297 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.266 -9.223 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.885 -7.710 3.963 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.810 -8.120 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.508 -6.787 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.216 -8.265 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.503 -6.691 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.505 -5.780 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.376 -5.480 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.854 -6.402 3.060 1.00 0.00 H new ATOM 96 N ASP A 7 -3.140 -7.486 6.685 1.00 0.00 N ATOM 97 CA ASP A 7 -3.881 -7.502 7.946 1.00 0.00 C ATOM 98 C ASP A 7 -5.363 -7.298 7.609 1.00 0.00 C ATOM 99 O ASP A 7 -6.187 -8.140 7.952 1.00 0.00 O ATOM 100 CB ASP A 7 -3.387 -6.356 8.854 1.00 0.00 C ATOM 101 CG ASP A 7 -2.324 -6.684 9.903 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.135 -7.859 10.268 1.00 0.00 O ATOM 103 OD2 ASP A 7 -1.637 -5.730 10.345 1.00 0.00 O ATOM 0 H ASP A 7 -3.031 -6.541 6.316 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.732 -8.445 8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.993 -5.567 8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.252 -5.943 9.372 1.00 0.00 H new ATOM 107 N ILE A 8 -5.654 -6.218 6.865 1.00 0.00 N ATOM 108 CA ILE A 8 -6.950 -5.647 6.482 1.00 0.00 C ATOM 109 C ILE A 8 -7.828 -5.281 7.686 1.00 0.00 C ATOM 110 O ILE A 8 -8.061 -6.062 8.601 1.00 0.00 O ATOM 111 CB ILE A 8 -7.674 -6.516 5.435 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.838 -6.602 4.144 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.074 -5.951 5.112 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.474 -7.469 3.046 1.00 0.00 C ATOM 0 H ILE A 8 -4.895 -5.661 6.473 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.739 -4.695 5.994 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.795 -7.514 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.684 -5.596 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.854 -7.004 4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.560 -6.585 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.676 -5.928 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.976 -4.940 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.826 -7.480 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.603 -8.487 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.445 -7.056 2.774 1.00 0.00 H new ATOM 125 N VAL A 9 -8.334 -4.046 7.669 1.00 0.00 N ATOM 126 CA VAL A 9 -9.255 -3.492 8.640 1.00 0.00 C ATOM 127 C VAL A 9 -10.218 -2.592 7.852 1.00 0.00 C ATOM 128 O VAL A 9 -10.045 -1.380 7.736 1.00 0.00 O ATOM 129 CB VAL A 9 -8.496 -2.837 9.828 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.452 -2.607 11.002 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.264 -3.620 10.319 1.00 0.00 C ATOM 0 H VAL A 9 -8.094 -3.378 6.936 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.856 -4.247 9.147 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.117 -1.892 9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.909 -2.148 11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.261 -1.948 10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.867 -3.562 11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.801 -3.086 11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.572 -4.611 10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.546 -3.718 9.504 1.00 0.00 H new ATOM 141 N GLU A 10 -11.228 -3.201 7.231 1.00 0.00 N ATOM 142 CA GLU A 10 -12.338 -2.483 6.616 1.00 0.00 C ATOM 143 C GLU A 10 -12.979 -1.633 7.709 1.00 0.00 C ATOM 144 O GLU A 10 -13.512 -2.168 8.683 1.00 0.00 O ATOM 145 CB GLU A 10 -13.333 -3.467 5.988 1.00 0.00 C ATOM 146 CG GLU A 10 -12.829 -4.008 4.641 1.00 0.00 C ATOM 147 CD GLU A 10 -13.920 -4.809 3.923 1.00 0.00 C ATOM 148 OE1 GLU A 10 -14.960 -4.194 3.582 1.00 0.00 O ATOM 149 OE2 GLU A 10 -13.738 -6.016 3.655 1.00 0.00 O ATOM 0 H GLU A 10 -11.297 -4.215 7.141 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.996 -1.841 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.503 -4.298 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.293 -2.971 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.508 -3.179 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.957 -4.641 4.804 1.00 0.00 H new ATOM 154 N GLN A 11 -12.826 -0.312 7.600 1.00 0.00 N ATOM 155 CA GLN A 11 -13.284 0.650 8.578 1.00 0.00 C ATOM 156 C GLN A 11 -14.614 1.250 8.082 1.00 0.00 C ATOM 157 O GLN A 11 -15.279 0.690 7.210 1.00 0.00 O ATOM 158 CB GLN A 11 -12.174 1.675 8.914 1.00 0.00 C ATOM 159 CG GLN A 11 -11.604 1.515 10.332 1.00 0.00 C ATOM 160 CD GLN A 11 -12.589 1.895 11.436 1.00 0.00 C ATOM 161 OE1 GLN A 11 -12.877 3.072 11.656 1.00 0.00 O ATOM 162 NE2 GLN A 11 -13.136 0.922 12.138 1.00 0.00 N ATOM 0 H GLN A 11 -12.364 0.121 6.800 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.494 0.176 9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.364 1.573 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.575 2.683 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.294 0.480 10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.710 2.132 10.427 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.888 -0.048 11.945 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.807 1.140 12.874 1.00 0.00 H new ATOM 169 N ASP A 12 -15.023 2.370 8.674 1.00 0.00 N ATOM 170 CA ASP A 12 -16.300 3.057 8.484 1.00 0.00 C ATOM 171 C ASP A 12 -16.557 3.468 7.021 1.00 0.00 C ATOM 172 O ASP A 12 -17.493 2.980 6.383 1.00 0.00 O ATOM 173 CB ASP A 12 -16.261 4.273 9.416 1.00 0.00 C ATOM 174 CG ASP A 12 -17.619 4.867 9.767 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.560 4.782 8.956 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.699 5.460 10.870 1.00 0.00 O ATOM 0 H ASP A 12 -14.430 2.856 9.346 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.128 2.389 8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.758 3.986 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.653 5.048 8.950 1.00 0.00 H new ATOM 180 N ASP A 13 -15.696 4.330 6.467 1.00 0.00 N ATOM 181 CA ASP A 13 -15.803 4.900 5.106 1.00 0.00 C ATOM 182 C ASP A 13 -14.476 4.729 4.337 1.00 0.00 C ATOM 183 O ASP A 13 -14.248 5.266 3.250 1.00 0.00 O ATOM 184 CB ASP A 13 -16.221 6.380 5.186 1.00 0.00 C ATOM 185 CG ASP A 13 -17.052 6.885 3.999 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.059 6.257 2.919 1.00 0.00 O ATOM 187 OD2 ASP A 13 -17.655 7.980 4.129 1.00 0.00 O ATOM 0 H ASP A 13 -14.873 4.666 6.967 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.572 4.359 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.793 6.531 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.322 6.992 5.267 1.00 0.00 H new ATOM 191 N LYS A 14 -13.544 3.988 4.941 1.00 0.00 N ATOM 192 CA LYS A 14 -12.134 3.881 4.644 1.00 0.00 C ATOM 193 C LYS A 14 -11.765 2.418 4.820 1.00 0.00 C ATOM 194 O LYS A 14 -12.253 1.775 5.747 1.00 0.00 O ATOM 195 CB LYS A 14 -11.368 4.820 5.602 1.00 0.00 C ATOM 196 CG LYS A 14 -11.649 4.560 7.096 1.00 0.00 C ATOM 197 CD LYS A 14 -11.544 5.801 7.983 1.00 0.00 C ATOM 198 CE LYS A 14 -10.088 6.197 8.210 1.00 0.00 C ATOM 199 NZ LYS A 14 -9.952 7.072 9.392 1.00 0.00 N ATOM 0 H LYS A 14 -13.796 3.391 5.729 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.878 4.184 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.299 4.713 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.629 5.852 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.649 4.139 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.949 3.808 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.080 6.629 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.024 5.607 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.481 5.302 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.706 6.711 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.952 7.326 9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.513 7.936 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.295 6.571 10.236 1.00 0.00 H new ATOM 209 N ALA A 15 -10.971 1.868 3.916 1.00 0.00 N ATOM 210 CA ALA A 15 -10.512 0.488 4.000 1.00 0.00 C ATOM 211 C ALA A 15 -9.058 0.521 4.429 1.00 0.00 C ATOM 212 O ALA A 15 -8.209 0.961 3.654 1.00 0.00 O ATOM 213 CB ALA A 15 -10.671 -0.205 2.649 1.00 0.00 C ATOM 0 H ALA A 15 -10.624 2.368 3.098 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.103 -0.076 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.324 -1.236 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.721 -0.196 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.081 0.321 1.898 1.00 0.00 H new ATOM 219 N ILE A 16 -8.751 0.112 5.659 1.00 0.00 N ATOM 220 CA ILE A 16 -7.343 0.068 6.046 1.00 0.00 C ATOM 221 C ILE A 16 -6.799 -1.238 5.444 1.00 0.00 C ATOM 222 O ILE A 16 -7.241 -2.304 5.864 1.00 0.00 O ATOM 223 CB ILE A 16 -7.266 0.147 7.584 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.927 1.443 8.118 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.845 -0.003 8.134 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.140 1.429 9.633 1.00 0.00 C ATOM 0 H ILE A 16 -9.419 -0.180 6.372 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.739 0.897 5.678 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.830 -0.711 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.304 2.297 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.888 1.584 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.867 0.063 9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.440 -0.970 7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.215 0.792 7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.606 2.364 9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.787 0.594 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.179 1.319 10.135 1.00 0.00 H new ATOM 237 N VAL A 17 -5.894 -1.225 4.459 1.00 0.00 N ATOM 238 CA VAL A 17 -5.114 -2.421 4.129 1.00 0.00 C ATOM 239 C VAL A 17 -3.775 -2.229 4.811 1.00 0.00 C ATOM 240 O VAL A 17 -2.808 -1.729 4.253 1.00 0.00 O ATOM 241 CB VAL A 17 -5.008 -2.706 2.621 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.162 -3.978 2.381 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.408 -2.854 2.014 1.00 0.00 C ATOM 0 H VAL A 17 -5.686 -0.409 3.883 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.613 -3.320 4.491 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.511 -1.868 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.092 -4.172 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.162 -3.832 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.635 -4.828 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.322 -3.056 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.929 -3.680 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.969 -1.932 2.165 1.00 0.00 H new ATOM 253 N ARG A 18 -3.726 -2.607 6.073 1.00 0.00 N ATOM 254 CA ARG A 18 -2.463 -2.753 6.764 1.00 0.00 C ATOM 255 C ARG A 18 -1.695 -3.840 6.008 1.00 0.00 C ATOM 256 O ARG A 18 -2.254 -4.925 5.808 1.00 0.00 O ATOM 257 CB ARG A 18 -2.730 -3.190 8.202 1.00 0.00 C ATOM 258 CG ARG A 18 -2.787 -2.079 9.218 1.00 0.00 C ATOM 259 CD ARG A 18 -3.153 -2.635 10.601 1.00 0.00 C ATOM 260 NE ARG A 18 -1.960 -2.838 11.442 1.00 0.00 N ATOM 261 CZ ARG A 18 -1.227 -1.859 11.997 1.00 0.00 C ATOM 262 NH1 ARG A 18 -1.580 -0.588 11.843 1.00 0.00 N ATOM 263 NH2 ARG A 18 -0.133 -2.142 12.685 1.00 0.00 N ATOM 0 H ARG A 18 -4.547 -2.818 6.640 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.896 -1.823 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.675 -3.732 8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.951 -3.892 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.823 -1.572 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.523 -1.335 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.837 -1.948 11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.681 -3.581 10.484 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.667 -3.799 11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.411 -0.352 11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.020 0.152 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.162 -3.112 12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.416 -1.390 13.102 1.00 0.00 H new ATOM 274 N VAL A 19 -0.457 -3.595 5.590 1.00 0.00 N ATOM 275 CA VAL A 19 0.394 -4.644 5.031 1.00 0.00 C ATOM 276 C VAL A 19 1.149 -5.293 6.186 1.00 0.00 C ATOM 277 O VAL A 19 1.326 -4.659 7.235 1.00 0.00 O ATOM 278 CB VAL A 19 1.326 -3.973 3.997 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.660 -4.680 3.708 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.605 -3.809 2.655 1.00 0.00 C ATOM 0 H VAL A 19 -0.018 -2.675 5.628 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.164 -5.430 4.522 1.00 0.00 H new ATOM 0 HB VAL A 19 1.574 -3.024 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.221 -4.110 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.241 -4.751 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.465 -5.681 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.275 -3.335 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.306 -4.788 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.280 -3.187 2.791 1.00 0.00 H new ATOM 290 N GLN A 20 1.646 -6.515 5.989 1.00 0.00 N ATOM 291 CA GLN A 20 2.792 -7.056 6.710 1.00 0.00 C ATOM 292 C GLN A 20 3.894 -7.534 5.762 1.00 0.00 C ATOM 293 O GLN A 20 3.605 -8.080 4.699 1.00 0.00 O ATOM 294 CB GLN A 20 2.352 -8.208 7.611 1.00 0.00 C ATOM 295 CG GLN A 20 1.541 -7.677 8.798 1.00 0.00 C ATOM 296 CD GLN A 20 2.304 -7.748 10.121 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.862 -8.779 10.500 1.00 0.00 O ATOM 298 NE2 GLN A 20 2.401 -6.643 10.842 1.00 0.00 N ATOM 0 H GLN A 20 1.253 -7.167 5.310 1.00 0.00 H new ATOM 0 HA GLN A 20 3.202 -6.249 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.752 -8.916 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.226 -8.750 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.257 -6.643 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.618 -8.250 8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.940 -5.788 10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.937 -6.646 11.710 1.00 0.00 H new ATOM 305 N GLY A 21 5.148 -7.411 6.198 1.00 0.00 N ATOM 306 CA GLY A 21 6.315 -7.938 5.506 1.00 0.00 C ATOM 307 C GLY A 21 6.917 -6.927 4.546 1.00 0.00 C ATOM 308 O GLY A 21 6.222 -6.057 4.023 1.00 0.00 O ATOM 0 H GLY A 21 5.382 -6.929 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.067 -8.234 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.034 -8.836 4.956 1.00 0.00 H new ATOM 312 N ASP A 22 8.219 -7.062 4.303 1.00 0.00 N ATOM 313 CA ASP A 22 8.919 -6.420 3.195 1.00 0.00 C ATOM 314 C ASP A 22 8.317 -6.809 1.835 1.00 0.00 C ATOM 315 O ASP A 22 7.444 -7.663 1.740 1.00 0.00 O ATOM 316 CB ASP A 22 10.435 -6.650 3.273 1.00 0.00 C ATOM 317 CG ASP A 22 10.883 -8.102 3.146 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.931 -8.793 4.190 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.282 -8.513 2.037 1.00 0.00 O ATOM 0 H ASP A 22 8.830 -7.635 4.885 1.00 0.00 H new ATOM 0 HA ASP A 22 8.771 -5.344 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.915 -6.069 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.797 -6.258 4.223 1.00 0.00 H new ATOM 323 N ILE A 23 8.702 -6.078 0.796 1.00 0.00 N ATOM 324 CA ILE A 23 7.939 -5.814 -0.415 1.00 0.00 C ATOM 325 C ILE A 23 8.856 -5.895 -1.645 1.00 0.00 C ATOM 326 O ILE A 23 9.582 -4.958 -1.991 1.00 0.00 O ATOM 327 CB ILE A 23 7.199 -4.471 -0.221 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.469 -3.975 -1.473 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.084 -3.307 0.222 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.130 -3.345 -1.084 1.00 0.00 C ATOM 0 H ILE A 23 9.616 -5.625 0.777 1.00 0.00 H new ATOM 0 HA ILE A 23 7.175 -6.569 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 23 6.495 -4.733 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.085 -3.245 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.304 -4.805 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.476 -2.409 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.551 -3.548 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.857 -3.133 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.618 -2.995 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.512 -4.087 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.305 -2.503 -0.414 1.00 0.00 H new ATOM 341 N ASP A 24 8.851 -7.050 -2.293 1.00 0.00 N ATOM 342 CA ASP A 24 9.773 -7.416 -3.360 1.00 0.00 C ATOM 343 C ASP A 24 9.105 -8.350 -4.367 1.00 0.00 C ATOM 344 O ASP A 24 7.882 -8.460 -4.393 1.00 0.00 O ATOM 345 CB ASP A 24 11.061 -8.036 -2.798 1.00 0.00 C ATOM 346 CG ASP A 24 10.913 -9.348 -2.028 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.854 -9.994 -2.165 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.886 -9.731 -1.327 1.00 0.00 O ATOM 0 H ASP A 24 8.179 -7.788 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 24 10.050 -6.502 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.748 -8.204 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.530 -7.306 -2.139 1.00 0.00 H new ATOM 352 N ALA A 25 9.892 -8.998 -5.236 1.00 0.00 N ATOM 353 CA ALA A 25 9.435 -9.875 -6.300 1.00 0.00 C ATOM 354 C ALA A 25 8.429 -10.930 -5.827 1.00 0.00 C ATOM 355 O ALA A 25 7.596 -11.331 -6.641 1.00 0.00 O ATOM 356 CB ALA A 25 10.648 -10.552 -6.941 1.00 0.00 C ATOM 0 H ALA A 25 10.908 -8.915 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 25 8.907 -9.258 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.315 -11.213 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.314 -9.793 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.180 -11.133 -6.188 1.00 0.00 H new ATOM 362 N TYR A 26 8.491 -11.353 -4.560 1.00 0.00 N ATOM 363 CA TYR A 26 7.602 -12.348 -3.979 1.00 0.00 C ATOM 364 C TYR A 26 6.199 -11.759 -3.846 1.00 0.00 C ATOM 365 O TYR A 26 5.211 -12.424 -4.166 1.00 0.00 O ATOM 366 CB TYR A 26 8.087 -12.755 -2.576 1.00 0.00 C ATOM 367 CG TYR A 26 9.431 -13.459 -2.443 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.625 -12.870 -2.906 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.504 -14.685 -1.753 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.864 -13.479 -2.676 1.00 0.00 C ATOM 371 CE2 TYR A 26 10.741 -15.314 -1.537 1.00 0.00 C ATOM 372 CZ TYR A 26 11.932 -14.703 -1.979 1.00 0.00 C ATOM 373 OH TYR A 26 13.141 -15.275 -1.734 1.00 0.00 O ATOM 0 H TYR A 26 9.182 -10.999 -3.898 1.00 0.00 H new ATOM 0 HA TYR A 26 7.594 -13.222 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.124 -11.853 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.329 -13.405 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.583 -11.936 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.599 -15.146 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.769 -13.011 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.780 -16.268 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 26 13.013 -16.113 -1.243 1.00 0.00 H new ATOM 382 N ASN A 27 6.095 -10.512 -3.364 1.00 0.00 N ATOM 383 CA ASN A 27 4.802 -9.867 -3.190 1.00 0.00 C ATOM 384 C ASN A 27 4.390 -9.196 -4.490 1.00 0.00 C ATOM 385 O ASN A 27 3.213 -8.864 -4.648 1.00 0.00 O ATOM 386 CB ASN A 27 4.776 -8.905 -1.992 1.00 0.00 C ATOM 387 CG ASN A 27 5.011 -7.419 -2.240 1.00 0.00 C ATOM 388 OD1 ASN A 27 5.469 -6.956 -3.275 1.00 0.00 O ATOM 389 ND2 ASN A 27 4.665 -6.606 -1.263 1.00 0.00 N ATOM 0 H ASN A 27 6.893 -9.938 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 27 4.065 -10.633 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.806 -9.009 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.528 -9.244 -1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.780 -5.598 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.282 -6.984 -0.396 1.00 0.00 H new ATOM 395 N SER A 28 5.332 -9.055 -5.434 1.00 0.00 N ATOM 396 CA SER A 28 5.069 -8.447 -6.720 1.00 0.00 C ATOM 397 C SER A 28 4.007 -9.184 -7.565 1.00 0.00 C ATOM 398 O SER A 28 3.618 -8.687 -8.625 1.00 0.00 O ATOM 399 CB SER A 28 6.396 -8.207 -7.446 1.00 0.00 C ATOM 400 OG SER A 28 6.287 -7.226 -8.463 1.00 0.00 O ATOM 0 H SER A 28 6.296 -9.365 -5.314 1.00 0.00 H new ATOM 0 HA SER A 28 4.598 -7.479 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.151 -7.895 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.742 -9.143 -7.884 1.00 0.00 H new ATOM 0 HG SER A 28 5.816 -6.442 -8.112 1.00 0.00 H new ATOM 405 N SER A 29 3.484 -10.332 -7.126 1.00 0.00 N ATOM 406 CA SER A 29 2.120 -10.717 -7.480 1.00 0.00 C ATOM 407 C SER A 29 1.228 -10.910 -6.260 1.00 0.00 C ATOM 408 O SER A 29 0.054 -10.560 -6.329 1.00 0.00 O ATOM 409 CB SER A 29 2.103 -11.944 -8.375 1.00 0.00 C ATOM 410 OG SER A 29 2.799 -13.015 -7.755 1.00 0.00 O ATOM 0 H SER A 29 3.977 -11.000 -6.534 1.00 0.00 H new ATOM 0 HA SER A 29 1.701 -9.883 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.074 -12.240 -8.579 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.563 -11.709 -9.335 1.00 0.00 H new ATOM 0 HG SER A 29 2.780 -13.800 -8.341 1.00 0.00 H new ATOM 415 N GLU A 30 1.760 -11.461 -5.165 1.00 0.00 N ATOM 416 CA GLU A 30 0.970 -11.869 -4.008 1.00 0.00 C ATOM 417 C GLU A 30 0.167 -10.686 -3.455 1.00 0.00 C ATOM 418 O GLU A 30 -1.055 -10.676 -3.596 1.00 0.00 O ATOM 419 CB GLU A 30 1.882 -12.576 -2.982 1.00 0.00 C ATOM 420 CG GLU A 30 1.137 -13.686 -2.232 1.00 0.00 C ATOM 421 CD GLU A 30 2.053 -14.530 -1.332 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.981 -15.220 -1.818 1.00 0.00 O ATOM 423 OE2 GLU A 30 1.789 -14.579 -0.109 1.00 0.00 O ATOM 0 H GLU A 30 2.759 -11.636 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 30 0.217 -12.603 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.746 -12.999 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.261 -11.845 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.351 -13.239 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.648 -14.339 -2.955 1.00 0.00 H new ATOM 428 N LEU A 31 0.828 -9.646 -2.929 1.00 0.00 N ATOM 429 CA LEU A 31 0.164 -8.425 -2.484 1.00 0.00 C ATOM 430 C LEU A 31 -0.705 -7.854 -3.595 1.00 0.00 C ATOM 431 O LEU A 31 -1.852 -7.481 -3.367 1.00 0.00 O ATOM 432 CB LEU A 31 1.232 -7.425 -2.001 1.00 0.00 C ATOM 433 CG LEU A 31 0.604 -6.091 -1.569 1.00 0.00 C ATOM 434 CD1 LEU A 31 1.540 -5.332 -0.630 1.00 0.00 C ATOM 435 CD2 LEU A 31 0.268 -5.216 -2.769 1.00 0.00 C ATOM 0 H LEU A 31 1.840 -9.633 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.503 -8.642 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.783 -7.856 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.952 -7.247 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.322 -6.326 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.076 -4.390 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.732 -5.935 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.481 -5.129 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.174 -4.281 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.178 -5.002 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.441 -5.737 -3.412 1.00 0.00 H new ATOM 446 N LYS A 32 -0.142 -7.758 -4.794 1.00 0.00 N ATOM 447 CA LYS A 32 -0.778 -7.130 -5.946 1.00 0.00 C ATOM 448 C LYS A 32 -2.179 -7.694 -6.151 1.00 0.00 C ATOM 449 O LYS A 32 -3.111 -6.921 -6.376 1.00 0.00 O ATOM 450 CB LYS A 32 0.111 -7.405 -7.183 1.00 0.00 C ATOM 451 CG LYS A 32 0.048 -6.311 -8.263 1.00 0.00 C ATOM 452 CD LYS A 32 1.123 -6.554 -9.339 1.00 0.00 C ATOM 453 CE LYS A 32 0.780 -7.752 -10.223 1.00 0.00 C ATOM 454 NZ LYS A 32 1.969 -8.329 -10.881 1.00 0.00 N ATOM 0 H LYS A 32 0.789 -8.122 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.878 -6.056 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.145 -7.517 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.187 -8.355 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.940 -6.302 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.196 -5.332 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.225 -5.663 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.087 -6.721 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.296 -8.519 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.062 -7.445 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.706 -9.215 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.339 -7.655 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.700 -8.524 -10.168 1.00 0.00 H new ATOM 464 N GLU A 33 -2.347 -9.013 -6.049 1.00 0.00 N ATOM 465 CA GLU A 33 -3.645 -9.642 -6.213 1.00 0.00 C ATOM 466 C GLU A 33 -4.499 -9.290 -5.010 1.00 0.00 C ATOM 467 O GLU A 33 -5.629 -8.845 -5.186 1.00 0.00 O ATOM 468 CB GLU A 33 -3.498 -11.157 -6.381 1.00 0.00 C ATOM 469 CG GLU A 33 -3.200 -11.489 -7.846 1.00 0.00 C ATOM 470 CD GLU A 33 -3.080 -12.995 -8.050 1.00 0.00 C ATOM 471 OE1 GLU A 33 -4.108 -13.703 -7.948 1.00 0.00 O ATOM 472 OE2 GLU A 33 -1.965 -13.506 -8.302 1.00 0.00 O ATOM 0 H GLU A 33 -1.589 -9.666 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.130 -9.274 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.695 -11.527 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.413 -11.658 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.993 -11.094 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.274 -11.002 -8.152 1.00 0.00 H new ATOM 477 N GLN A 34 -3.938 -9.394 -3.803 1.00 0.00 N ATOM 478 CA GLN A 34 -4.610 -9.088 -2.545 1.00 0.00 C ATOM 479 C GLN A 34 -5.138 -7.659 -2.477 1.00 0.00 C ATOM 480 O GLN A 34 -5.952 -7.376 -1.601 1.00 0.00 O ATOM 481 CB GLN A 34 -3.675 -9.335 -1.347 1.00 0.00 C ATOM 482 CG GLN A 34 -3.179 -10.775 -1.272 1.00 0.00 C ATOM 483 CD GLN A 34 -4.219 -11.726 -0.659 1.00 0.00 C ATOM 484 OE1 GLN A 34 -5.392 -11.384 -0.494 1.00 0.00 O ATOM 485 NE2 GLN A 34 -3.852 -12.939 -0.291 1.00 0.00 N ATOM 0 H GLN A 34 -2.975 -9.703 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.466 -9.761 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.819 -8.664 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.201 -9.088 -0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.922 -11.120 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.265 -10.810 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.886 -13.241 -0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.534 -13.575 0.122 1.00 0.00 H new ATOM 492 N LEU A 35 -4.709 -6.772 -3.376 1.00 0.00 N ATOM 493 CA LEU A 35 -5.281 -5.448 -3.509 1.00 0.00 C ATOM 494 C LEU A 35 -6.161 -5.332 -4.720 1.00 0.00 C ATOM 495 O LEU A 35 -7.230 -4.796 -4.533 1.00 0.00 O ATOM 496 CB LEU A 35 -4.224 -4.383 -3.654 1.00 0.00 C ATOM 497 CG LEU A 35 -3.474 -4.045 -2.365 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.357 -3.026 -2.579 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.434 -3.432 -1.328 1.00 0.00 C ATOM 0 H LEU A 35 -3.951 -6.961 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.856 -5.301 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.502 -4.707 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.692 -3.475 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.048 -4.987 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.861 -2.826 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.633 -3.424 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.779 -2.100 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.884 -3.197 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.872 -2.519 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.227 -4.145 -1.100 1.00 0.00 H new ATOM 510 N ARG A 36 -5.792 -5.714 -5.948 1.00 0.00 N ATOM 511 CA ARG A 36 -6.729 -5.483 -7.051 1.00 0.00 C ATOM 512 C ARG A 36 -8.009 -6.292 -6.876 1.00 0.00 C ATOM 513 O ARG A 36 -9.090 -5.827 -7.237 1.00 0.00 O ATOM 514 CB ARG A 36 -6.093 -5.744 -8.411 1.00 0.00 C ATOM 515 CG ARG A 36 -5.641 -7.184 -8.674 1.00 0.00 C ATOM 516 CD ARG A 36 -5.491 -7.336 -10.181 1.00 0.00 C ATOM 517 NE ARG A 36 -5.204 -8.716 -10.585 1.00 0.00 N ATOM 518 CZ ARG A 36 -4.557 -9.044 -11.706 1.00 0.00 C ATOM 519 NH1 ARG A 36 -4.103 -8.106 -12.535 1.00 0.00 N ATOM 520 NH2 ARG A 36 -4.361 -10.317 -12.007 1.00 0.00 N ATOM 0 H ARG A 36 -4.907 -6.158 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.996 -4.427 -7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.807 -5.461 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.230 -5.087 -8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.697 -7.390 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.371 -7.894 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.407 -7.002 -10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.689 -6.685 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.517 -9.470 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.248 -7.120 -12.318 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.611 -8.374 -13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.704 -11.047 -11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.867 -10.568 -12.863 1.00 0.00 H new ATOM 531 N ASN A 37 -7.885 -7.486 -6.302 1.00 0.00 N ATOM 532 CA ASN A 37 -8.994 -8.373 -6.027 1.00 0.00 C ATOM 533 C ASN A 37 -9.803 -7.809 -4.870 1.00 0.00 C ATOM 534 O ASN A 37 -11.033 -7.855 -4.891 1.00 0.00 O ATOM 535 CB ASN A 37 -8.466 -9.768 -5.671 1.00 0.00 C ATOM 536 CG ASN A 37 -9.600 -10.744 -5.417 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.524 -10.856 -6.217 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.530 -11.482 -4.331 1.00 0.00 N ATOM 0 H ASN A 37 -6.984 -7.866 -6.011 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.630 -8.455 -6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.840 -10.139 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.834 -9.704 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.256 -12.171 -4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.749 -11.366 -3.685 1.00 0.00 H new ATOM 544 N PHE A 38 -9.122 -7.238 -3.871 1.00 0.00 N ATOM 545 CA PHE A 38 -9.790 -6.597 -2.760 1.00 0.00 C ATOM 546 C PHE A 38 -10.479 -5.338 -3.228 1.00 0.00 C ATOM 547 O PHE A 38 -11.662 -5.209 -2.962 1.00 0.00 O ATOM 548 CB PHE A 38 -8.830 -6.281 -1.628 1.00 0.00 C ATOM 549 CG PHE A 38 -9.375 -5.397 -0.527 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.240 -5.939 0.439 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.957 -4.058 -0.418 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.634 -5.171 1.545 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.347 -3.288 0.688 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.155 -3.860 1.691 1.00 0.00 C ATOM 0 H PHE A 38 -8.104 -7.213 -3.820 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.533 -7.294 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.501 -7.220 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.947 -5.801 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.603 -6.950 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.335 -3.623 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.304 -5.588 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.029 -2.259 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.406 -3.289 2.573 1.00 0.00 H new ATOM 563 N ILE A 39 -9.789 -4.426 -3.919 1.00 0.00 N ATOM 564 CA ILE A 39 -10.397 -3.217 -4.480 1.00 0.00 C ATOM 565 C ILE A 39 -11.683 -3.512 -5.264 1.00 0.00 C ATOM 566 O ILE A 39 -12.624 -2.724 -5.171 1.00 0.00 O ATOM 567 CB ILE A 39 -9.324 -2.460 -5.289 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.526 -1.583 -4.298 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.880 -1.617 -6.446 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.135 -1.211 -4.799 1.00 0.00 C ATOM 0 H ILE A 39 -8.789 -4.506 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.734 -2.566 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.686 -3.198 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.088 -0.670 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.432 -2.113 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.058 -1.119 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.408 -2.264 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.568 -0.869 -6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.632 -0.595 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.556 -2.118 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.221 -0.653 -5.731 1.00 0.00 H new ATOM 581 N SER A 40 -11.726 -4.630 -5.991 1.00 0.00 N ATOM 582 CA SER A 40 -12.890 -5.108 -6.723 1.00 0.00 C ATOM 583 C SER A 40 -14.073 -5.321 -5.757 1.00 0.00 C ATOM 584 O SER A 40 -15.169 -4.823 -5.999 1.00 0.00 O ATOM 585 CB SER A 40 -12.444 -6.385 -7.461 1.00 0.00 C ATOM 586 OG SER A 40 -13.218 -6.710 -8.591 1.00 0.00 O ATOM 0 H SER A 40 -10.919 -5.247 -6.087 1.00 0.00 H new ATOM 0 HA SER A 40 -13.253 -4.388 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.406 -6.266 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.475 -7.222 -6.763 1.00 0.00 H new ATOM 0 HG SER A 40 -12.870 -7.529 -9.001 1.00 0.00 H new ATOM 591 N THR A 41 -13.847 -5.998 -4.628 1.00 0.00 N ATOM 592 CA THR A 41 -14.814 -6.117 -3.546 1.00 0.00 C ATOM 593 C THR A 41 -15.105 -4.747 -2.906 1.00 0.00 C ATOM 594 O THR A 41 -16.276 -4.384 -2.750 1.00 0.00 O ATOM 595 CB THR A 41 -14.307 -7.167 -2.533 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.703 -8.462 -2.950 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.797 -6.952 -1.094 1.00 0.00 C ATOM 0 H THR A 41 -12.970 -6.485 -4.442 1.00 0.00 H new ATOM 0 HA THR A 41 -15.770 -6.464 -3.937 1.00 0.00 H new ATOM 0 HB THR A 41 -13.223 -7.057 -2.518 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.379 -9.126 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.393 -7.734 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.460 -5.979 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.886 -6.990 -1.071 1.00 0.00 H new ATOM 605 N THR A 42 -14.070 -4.034 -2.450 1.00 0.00 N ATOM 606 CA THR A 42 -14.088 -3.140 -1.317 1.00 0.00 C ATOM 607 C THR A 42 -15.174 -2.070 -1.446 1.00 0.00 C ATOM 608 O THR A 42 -15.207 -1.247 -2.360 1.00 0.00 O ATOM 609 CB THR A 42 -12.648 -2.650 -1.067 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.393 -2.493 0.314 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.236 -1.393 -1.827 1.00 0.00 C ATOM 0 H THR A 42 -13.153 -4.077 -2.895 1.00 0.00 H new ATOM 0 HA THR A 42 -14.393 -3.653 -0.405 1.00 0.00 H new ATOM 0 HB THR A 42 -12.025 -3.445 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.445 -2.664 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.206 -1.138 -1.577 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.315 -1.574 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.892 -0.568 -1.549 1.00 0.00 H new ATOM 619 N SER A 43 -16.099 -2.106 -0.498 1.00 0.00 N ATOM 620 CA SER A 43 -17.125 -1.112 -0.286 1.00 0.00 C ATOM 621 C SER A 43 -16.456 0.243 -0.049 1.00 0.00 C ATOM 622 O SER A 43 -16.834 1.241 -0.662 1.00 0.00 O ATOM 623 CB SER A 43 -17.942 -1.631 0.909 1.00 0.00 C ATOM 624 OG SER A 43 -18.730 -0.659 1.558 1.00 0.00 O ATOM 0 H SER A 43 -16.151 -2.871 0.175 1.00 0.00 H new ATOM 0 HA SER A 43 -17.792 -0.961 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.593 -2.434 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.257 -2.067 1.636 1.00 0.00 H new ATOM 0 HG SER A 43 -19.215 -1.074 2.301 1.00 0.00 H new ATOM 629 N LYS A 44 -15.451 0.277 0.828 1.00 0.00 N ATOM 630 CA LYS A 44 -14.965 1.525 1.404 1.00 0.00 C ATOM 631 C LYS A 44 -13.948 2.161 0.483 1.00 0.00 C ATOM 632 O LYS A 44 -13.006 1.502 0.044 1.00 0.00 O ATOM 633 CB LYS A 44 -14.374 1.298 2.798 1.00 0.00 C ATOM 634 CG LYS A 44 -15.404 1.433 3.928 1.00 0.00 C ATOM 635 CD LYS A 44 -16.421 0.299 4.055 1.00 0.00 C ATOM 636 CE LYS A 44 -15.730 -0.994 4.496 1.00 0.00 C ATOM 637 NZ LYS A 44 -16.627 -2.169 4.528 1.00 0.00 N ATOM 0 H LYS A 44 -14.957 -0.554 1.155 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.810 2.205 1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.930 0.303 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.569 2.013 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.867 1.518 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.948 2.367 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.190 0.572 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.922 0.143 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.900 -1.200 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.304 -0.847 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.076 -3.032 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.076 -2.237 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.361 -2.066 3.798 1.00 0.00 H new ATOM 647 N LYS A 45 -14.108 3.456 0.228 1.00 0.00 N ATOM 648 CA LYS A 45 -13.265 4.143 -0.743 1.00 0.00 C ATOM 649 C LYS A 45 -11.839 4.293 -0.253 1.00 0.00 C ATOM 650 O LYS A 45 -10.920 4.013 -1.013 1.00 0.00 O ATOM 651 CB LYS A 45 -13.857 5.508 -1.114 1.00 0.00 C ATOM 652 CG LYS A 45 -14.925 5.365 -2.205 1.00 0.00 C ATOM 653 CD LYS A 45 -15.450 6.751 -2.612 1.00 0.00 C ATOM 654 CE LYS A 45 -16.454 6.650 -3.761 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.039 7.968 -4.088 1.00 0.00 N ATOM 0 H LYS A 45 -14.808 4.047 0.677 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.237 3.522 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.295 5.971 -0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.064 6.170 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.504 4.857 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.747 4.748 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.923 7.229 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.615 7.385 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.960 6.242 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.249 5.955 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.715 7.863 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.531 8.346 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.282 8.623 -4.370 1.00 0.00 H new ATOM 665 N LYS A 46 -11.615 4.835 0.946 1.00 0.00 N ATOM 666 CA LYS A 46 -10.279 5.332 1.301 1.00 0.00 C ATOM 667 C LYS A 46 -9.303 4.193 1.572 1.00 0.00 C ATOM 668 O LYS A 46 -9.333 3.683 2.688 1.00 0.00 O ATOM 669 CB LYS A 46 -10.374 6.326 2.467 1.00 0.00 C ATOM 670 CG LYS A 46 -9.071 7.099 2.714 1.00 0.00 C ATOM 671 CD LYS A 46 -9.181 8.013 3.942 1.00 0.00 C ATOM 672 CE LYS A 46 -9.755 9.386 3.582 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.356 10.037 4.761 1.00 0.00 N ATOM 0 H LYS A 46 -12.321 4.941 1.674 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.872 5.871 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.177 7.036 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.646 5.786 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.251 6.395 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.830 7.697 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.815 7.539 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.196 8.138 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.965 10.019 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.507 9.276 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.737 10.965 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.125 9.443 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.631 10.163 5.496 1.00 0.00 H new ATOM 683 N ILE A 47 -8.456 3.780 0.614 1.00 0.00 N ATOM 684 CA ILE A 47 -7.586 2.630 0.861 1.00 0.00 C ATOM 685 C ILE A 47 -6.330 3.167 1.561 1.00 0.00 C ATOM 686 O ILE A 47 -5.478 3.781 0.918 1.00 0.00 O ATOM 687 CB ILE A 47 -7.297 1.787 -0.407 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.511 1.581 -1.349 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.758 0.411 0.024 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.758 0.951 -0.726 1.00 0.00 C ATOM 0 H ILE A 47 -8.359 4.211 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.086 1.909 1.508 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.568 2.355 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.789 2.550 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.193 0.956 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.551 -0.192 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.840 0.543 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.501 -0.094 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.536 0.859 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.511 -0.037 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.116 1.581 0.088 1.00 0.00 H new ATOM 701 N VAL A 48 -6.249 3.037 2.885 1.00 0.00 N ATOM 702 CA VAL A 48 -5.088 3.471 3.667 1.00 0.00 C ATOM 703 C VAL A 48 -4.145 2.280 3.789 1.00 0.00 C ATOM 704 O VAL A 48 -4.629 1.173 4.011 1.00 0.00 O ATOM 705 CB VAL A 48 -5.496 3.961 5.074 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.409 4.906 5.610 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.847 4.691 5.108 1.00 0.00 C ATOM 0 H VAL A 48 -6.991 2.625 3.450 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.606 4.309 3.163 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.602 3.072 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.689 5.257 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.460 4.373 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.306 5.759 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.065 5.005 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.804 5.567 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.632 4.020 4.759 1.00 0.00 H new ATOM 717 N LEU A 49 -2.826 2.457 3.705 1.00 0.00 N ATOM 718 CA LEU A 49 -1.882 1.353 3.525 1.00 0.00 C ATOM 719 C LEU A 49 -0.659 1.463 4.428 1.00 0.00 C ATOM 720 O LEU A 49 0.263 2.223 4.154 1.00 0.00 O ATOM 721 CB LEU A 49 -1.597 1.173 2.022 1.00 0.00 C ATOM 722 CG LEU A 49 -2.550 0.109 1.437 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.194 0.580 0.143 1.00 0.00 C ATOM 724 CD2 LEU A 49 -1.851 -1.237 1.246 1.00 0.00 C ATOM 0 H LEU A 49 -2.381 3.373 3.760 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.332 0.421 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.730 2.121 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.561 0.869 1.872 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.346 -0.036 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.857 -0.197 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.768 1.487 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.419 0.788 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.556 -1.958 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.011 -1.117 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.486 -1.597 2.208 1.00 0.00 H new ATOM 735 N ASP A 50 -0.690 0.721 5.536 1.00 0.00 N ATOM 736 CA ASP A 50 0.243 0.798 6.667 1.00 0.00 C ATOM 737 C ASP A 50 1.524 0.047 6.363 1.00 0.00 C ATOM 738 O ASP A 50 1.409 -1.036 5.780 1.00 0.00 O ATOM 739 CB ASP A 50 -0.370 0.068 7.853 1.00 0.00 C ATOM 740 CG ASP A 50 0.275 0.490 9.167 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.310 -0.108 9.530 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.299 1.378 9.836 1.00 0.00 O ATOM 0 H ASP A 50 -1.406 0.009 5.679 1.00 0.00 H new ATOM 0 HA ASP A 50 0.441 1.852 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.440 0.270 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.253 -1.007 7.719 1.00 0.00 H new ATOM 746 N LEU A 51 2.699 0.570 6.739 1.00 0.00 N ATOM 747 CA LEU A 51 3.985 -0.003 6.360 1.00 0.00 C ATOM 748 C LEU A 51 4.978 -0.182 7.522 1.00 0.00 C ATOM 749 O LEU A 51 6.172 -0.377 7.289 1.00 0.00 O ATOM 750 CB LEU A 51 4.542 0.769 5.150 1.00 0.00 C ATOM 751 CG LEU A 51 3.689 0.553 3.880 1.00 0.00 C ATOM 752 CD1 LEU A 51 4.136 1.505 2.787 1.00 0.00 C ATOM 753 CD2 LEU A 51 3.759 -0.884 3.353 1.00 0.00 C ATOM 0 H LEU A 51 2.778 1.406 7.317 1.00 0.00 H new ATOM 0 HA LEU A 51 3.819 -1.036 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.579 1.833 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.566 0.450 4.957 1.00 0.00 H new ATOM 0 HG LEU A 51 2.655 0.751 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.529 1.346 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.016 2.533 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.184 1.321 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.140 -0.975 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.791 -1.131 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.395 -1.570 4.118 1.00 0.00 H new ATOM 764 N SER A 52 4.517 -0.198 8.773 1.00 0.00 N ATOM 765 CA SER A 52 5.403 -0.400 9.928 1.00 0.00 C ATOM 766 C SER A 52 6.024 -1.814 10.001 1.00 0.00 C ATOM 767 O SER A 52 6.978 -2.037 10.750 1.00 0.00 O ATOM 768 CB SER A 52 4.680 -0.045 11.236 1.00 0.00 C ATOM 769 OG SER A 52 5.001 1.276 11.640 1.00 0.00 O ATOM 0 H SER A 52 3.534 -0.074 9.016 1.00 0.00 H new ATOM 0 HA SER A 52 6.242 0.282 9.787 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.603 -0.138 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.964 -0.749 12.018 1.00 0.00 H new ATOM 0 HG SER A 52 4.253 1.873 11.430 1.00 0.00 H new ATOM 774 N SER A 53 5.557 -2.782 9.211 1.00 0.00 N ATOM 775 CA SER A 53 6.136 -4.118 9.097 1.00 0.00 C ATOM 776 C SER A 53 7.229 -4.150 8.015 1.00 0.00 C ATOM 777 O SER A 53 7.913 -5.163 7.861 1.00 0.00 O ATOM 778 CB SER A 53 5.000 -5.099 8.762 1.00 0.00 C ATOM 779 OG SER A 53 5.279 -6.440 9.107 1.00 0.00 O ATOM 0 H SER A 53 4.740 -2.652 8.615 1.00 0.00 H new ATOM 0 HA SER A 53 6.609 -4.403 10.037 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.095 -4.782 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.791 -5.045 7.694 1.00 0.00 H new ATOM 0 HG SER A 53 4.840 -6.658 9.956 1.00 0.00 H new ATOM 784 N VAL A 54 7.414 -3.082 7.236 1.00 0.00 N ATOM 785 CA VAL A 54 8.067 -3.161 5.935 1.00 0.00 C ATOM 786 C VAL A 54 9.456 -2.524 6.051 1.00 0.00 C ATOM 787 O VAL A 54 9.572 -1.302 6.052 1.00 0.00 O ATOM 788 CB VAL A 54 7.127 -2.504 4.897 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.647 -2.654 3.466 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.724 -3.139 4.962 1.00 0.00 C ATOM 0 H VAL A 54 7.115 -2.141 7.492 1.00 0.00 H new ATOM 0 HA VAL A 54 8.237 -4.183 5.596 1.00 0.00 H new ATOM 0 HB VAL A 54 7.085 -1.444 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.953 -2.177 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.625 -2.180 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.734 -3.712 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.076 -2.665 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.797 -4.205 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.306 -2.996 5.958 1.00 0.00 H new ATOM 800 N SER A 55 10.516 -3.322 6.238 1.00 0.00 N ATOM 801 CA SER A 55 11.879 -2.811 6.399 1.00 0.00 C ATOM 802 C SER A 55 12.731 -2.860 5.141 1.00 0.00 C ATOM 803 O SER A 55 13.830 -2.299 5.144 1.00 0.00 O ATOM 804 CB SER A 55 12.598 -3.601 7.488 1.00 0.00 C ATOM 805 OG SER A 55 12.753 -2.774 8.628 1.00 0.00 O ATOM 0 H SER A 55 10.450 -4.339 6.282 1.00 0.00 H new ATOM 0 HA SER A 55 11.761 -1.759 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.028 -4.494 7.745 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.572 -3.936 7.130 1.00 0.00 H new ATOM 0 HG SER A 55 13.213 -3.274 9.335 1.00 0.00 H new ATOM 810 N TYR A 56 12.275 -3.520 4.088 1.00 0.00 N ATOM 811 CA TYR A 56 12.996 -3.569 2.839 1.00 0.00 C ATOM 812 C TYR A 56 11.990 -3.401 1.714 1.00 0.00 C ATOM 813 O TYR A 56 10.804 -3.673 1.905 1.00 0.00 O ATOM 814 CB TYR A 56 13.753 -4.903 2.788 1.00 0.00 C ATOM 815 CG TYR A 56 14.413 -5.153 1.449 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.719 -4.697 1.206 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.669 -5.752 0.411 1.00 0.00 C ATOM 818 CE1 TYR A 56 16.279 -4.815 -0.075 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.208 -5.829 -0.883 1.00 0.00 C ATOM 820 CZ TYR A 56 15.511 -5.353 -1.132 1.00 0.00 C ATOM 821 OH TYR A 56 16.002 -5.357 -2.397 1.00 0.00 O ATOM 0 H TYR A 56 11.394 -4.035 4.082 1.00 0.00 H new ATOM 0 HA TYR A 56 13.732 -2.771 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.512 -4.915 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.061 -5.717 3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.293 -4.255 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.686 -6.151 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.295 -4.495 -0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.625 -6.253 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 56 15.346 -5.764 -3.001 1.00 0.00 H new ATOM 830 N MET A 57 12.460 -2.915 0.567 1.00 0.00 N ATOM 831 CA MET A 57 11.662 -2.711 -0.619 1.00 0.00 C ATOM 832 C MET A 57 12.601 -2.774 -1.808 1.00 0.00 C ATOM 833 O MET A 57 13.610 -2.061 -1.822 1.00 0.00 O ATOM 834 CB MET A 57 10.960 -1.353 -0.511 1.00 0.00 C ATOM 835 CG MET A 57 10.055 -0.976 -1.683 1.00 0.00 C ATOM 836 SD MET A 57 9.050 0.470 -1.265 1.00 0.00 S ATOM 837 CE MET A 57 7.747 0.337 -2.496 1.00 0.00 C ATOM 0 H MET A 57 13.437 -2.647 0.444 1.00 0.00 H new ATOM 0 HA MET A 57 10.890 -3.472 -0.736 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.363 -1.345 0.401 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.721 -0.580 -0.401 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.660 -0.764 -2.564 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.408 -1.816 -1.936 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.893 0.941 -2.189 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.117 0.694 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.439 -0.705 -2.589 1.00 0.00 H new ATOM 845 N ASP A 58 12.273 -3.620 -2.779 1.00 0.00 N ATOM 846 CA ASP A 58 12.916 -3.589 -4.089 1.00 0.00 C ATOM 847 C ASP A 58 12.169 -2.571 -4.965 1.00 0.00 C ATOM 848 O ASP A 58 11.102 -2.054 -4.617 1.00 0.00 O ATOM 849 CB ASP A 58 12.922 -4.996 -4.728 1.00 0.00 C ATOM 850 CG ASP A 58 14.058 -5.212 -5.749 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.122 -4.502 -6.784 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.888 -6.109 -5.518 1.00 0.00 O ATOM 0 H ASP A 58 11.559 -4.342 -2.682 1.00 0.00 H new ATOM 0 HA ASP A 58 13.958 -3.285 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.009 -5.743 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.965 -5.164 -5.222 1.00 0.00 H new ATOM 856 N SER A 59 12.679 -2.351 -6.164 1.00 0.00 N ATOM 857 CA SER A 59 12.015 -1.778 -7.326 1.00 0.00 C ATOM 858 C SER A 59 10.638 -2.416 -7.562 1.00 0.00 C ATOM 859 O SER A 59 9.708 -1.754 -8.026 1.00 0.00 O ATOM 860 CB SER A 59 12.898 -2.060 -8.560 1.00 0.00 C ATOM 861 OG SER A 59 14.289 -2.084 -8.254 1.00 0.00 O ATOM 0 H SER A 59 13.650 -2.588 -6.369 1.00 0.00 H new ATOM 0 HA SER A 59 11.873 -0.710 -7.159 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.610 -3.017 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.711 -1.297 -9.316 1.00 0.00 H new ATOM 0 HG SER A 59 14.522 -2.949 -7.857 1.00 0.00 H new ATOM 866 N ALA A 60 10.504 -3.709 -7.235 1.00 0.00 N ATOM 867 CA ALA A 60 9.349 -4.509 -7.580 1.00 0.00 C ATOM 868 C ALA A 60 8.208 -4.062 -6.688 1.00 0.00 C ATOM 869 O ALA A 60 7.095 -3.855 -7.164 1.00 0.00 O ATOM 870 CB ALA A 60 9.678 -5.995 -7.392 1.00 0.00 C ATOM 0 H ALA A 60 11.214 -4.225 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 60 9.063 -4.376 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.807 -6.596 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.513 -6.267 -8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.948 -6.179 -6.352 1.00 0.00 H new ATOM 876 N GLY A 61 8.527 -3.836 -5.415 1.00 0.00 N ATOM 877 CA GLY A 61 7.666 -3.270 -4.411 1.00 0.00 C ATOM 878 C GLY A 61 6.903 -2.047 -4.895 1.00 0.00 C ATOM 879 O GLY A 61 5.682 -1.962 -4.782 1.00 0.00 O ATOM 0 H GLY A 61 9.452 -4.061 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.954 -4.028 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.264 -2.997 -3.541 1.00 0.00 H new ATOM 883 N LEU A 62 7.642 -1.079 -5.433 1.00 0.00 N ATOM 884 CA LEU A 62 7.098 0.213 -5.841 1.00 0.00 C ATOM 885 C LEU A 62 6.141 -0.001 -7.010 1.00 0.00 C ATOM 886 O LEU A 62 4.993 0.447 -6.983 1.00 0.00 O ATOM 887 CB LEU A 62 8.263 1.203 -6.068 1.00 0.00 C ATOM 888 CG LEU A 62 8.609 1.654 -7.499 1.00 0.00 C ATOM 889 CD1 LEU A 62 7.471 2.482 -8.101 1.00 0.00 C ATOM 890 CD2 LEU A 62 9.888 2.496 -7.435 1.00 0.00 C ATOM 0 H LEU A 62 8.644 -1.171 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 62 6.489 0.682 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.047 2.099 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.160 0.754 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 62 8.756 0.779 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.740 2.789 -9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.562 1.882 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.300 3.366 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.155 2.829 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.721 3.364 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.699 1.895 -7.024 1.00 0.00 H new ATOM 901 N GLY A 63 6.605 -0.760 -8.001 1.00 0.00 N ATOM 902 CA GLY A 63 5.859 -1.207 -9.162 1.00 0.00 C ATOM 903 C GLY A 63 4.587 -1.972 -8.792 1.00 0.00 C ATOM 904 O GLY A 63 3.676 -2.071 -9.611 1.00 0.00 O ATOM 0 H GLY A 63 7.568 -1.096 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.594 -0.343 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.496 -1.845 -9.774 1.00 0.00 H new ATOM 908 N THR A 64 4.483 -2.490 -7.572 1.00 0.00 N ATOM 909 CA THR A 64 3.391 -3.341 -7.123 1.00 0.00 C ATOM 910 C THR A 64 2.327 -2.502 -6.411 1.00 0.00 C ATOM 911 O THR A 64 1.248 -3.000 -6.115 1.00 0.00 O ATOM 912 CB THR A 64 4.003 -4.475 -6.273 1.00 0.00 C ATOM 913 OG1 THR A 64 4.877 -5.193 -7.126 1.00 0.00 O ATOM 914 CG2 THR A 64 2.991 -5.445 -5.689 1.00 0.00 C ATOM 0 H THR A 64 5.180 -2.322 -6.847 1.00 0.00 H new ATOM 0 HA THR A 64 2.861 -3.808 -7.953 1.00 0.00 H new ATOM 0 HB THR A 64 4.500 -4.017 -5.417 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.784 -4.832 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.511 -6.207 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.300 -4.904 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.435 -5.921 -6.497 1.00 0.00 H new ATOM 922 N LEU A 65 2.582 -1.208 -6.206 1.00 0.00 N ATOM 923 CA LEU A 65 1.679 -0.276 -5.554 1.00 0.00 C ATOM 924 C LEU A 65 1.213 0.765 -6.563 1.00 0.00 C ATOM 925 O LEU A 65 0.022 1.059 -6.643 1.00 0.00 O ATOM 926 CB LEU A 65 2.434 0.387 -4.396 1.00 0.00 C ATOM 927 CG LEU A 65 2.737 -0.555 -3.215 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.754 0.134 -2.303 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.478 -0.897 -2.407 1.00 0.00 C ATOM 0 H LEU A 65 3.455 -0.772 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 65 0.800 -0.792 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.373 0.791 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.848 1.231 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 65 3.130 -1.491 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.984 -0.516 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.666 0.337 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.337 1.072 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.743 -1.563 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.043 0.019 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.753 -1.390 -3.055 1.00 0.00 H new ATOM 940 N VAL A 66 2.122 1.297 -7.383 1.00 0.00 N ATOM 941 CA VAL A 66 1.779 2.254 -8.429 1.00 0.00 C ATOM 942 C VAL A 66 0.800 1.655 -9.460 1.00 0.00 C ATOM 943 O VAL A 66 -0.037 2.362 -10.011 1.00 0.00 O ATOM 944 CB VAL A 66 3.105 2.765 -9.019 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.837 1.711 -9.837 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.913 4.035 -9.852 1.00 0.00 C ATOM 0 H VAL A 66 3.116 1.074 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 66 1.227 3.105 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 66 3.729 3.006 -8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.764 2.132 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.065 0.853 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.207 1.392 -10.667 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.875 4.359 -10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.231 3.829 -10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.495 4.822 -9.224 1.00 0.00 H new ATOM 956 N VAL A 67 0.843 0.339 -9.681 1.00 0.00 N ATOM 957 CA VAL A 67 -0.107 -0.367 -10.543 1.00 0.00 C ATOM 958 C VAL A 67 -1.515 -0.358 -9.924 1.00 0.00 C ATOM 959 O VAL A 67 -2.521 -0.208 -10.622 1.00 0.00 O ATOM 960 CB VAL A 67 0.488 -1.760 -10.846 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.212 -2.769 -9.738 1.00 0.00 C ATOM 962 CG2 VAL A 67 0.061 -2.325 -12.199 1.00 0.00 C ATOM 0 H VAL A 67 1.545 -0.272 -9.263 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.250 0.132 -11.502 1.00 0.00 H new ATOM 0 HB VAL A 67 1.564 -1.594 -10.893 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.652 -3.730 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.650 -2.414 -8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.864 -2.886 -9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.516 -3.305 -12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.024 -2.422 -12.227 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.386 -1.653 -12.993 1.00 0.00 H new ATOM 972 N ILE A 68 -1.604 -0.480 -8.601 1.00 0.00 N ATOM 973 CA ILE A 68 -2.867 -0.491 -7.870 1.00 0.00 C ATOM 974 C ILE A 68 -3.473 0.916 -7.873 1.00 0.00 C ATOM 975 O ILE A 68 -4.694 1.057 -7.816 1.00 0.00 O ATOM 976 CB ILE A 68 -2.652 -0.996 -6.428 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.859 -2.315 -6.321 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.999 -1.134 -5.708 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.564 -3.576 -6.805 1.00 0.00 C ATOM 0 H ILE A 68 -0.787 -0.575 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.561 -1.173 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.035 -0.239 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.934 -2.203 -6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.579 -2.460 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.833 -1.491 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.495 -0.164 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.627 -1.845 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.904 -4.434 -6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.474 -3.729 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.819 -3.468 -7.859 1.00 0.00 H new ATOM 990 N LEU A 69 -2.645 1.961 -7.982 1.00 0.00 N ATOM 991 CA LEU A 69 -3.113 3.343 -7.977 1.00 0.00 C ATOM 992 C LEU A 69 -4.107 3.572 -9.114 1.00 0.00 C ATOM 993 O LEU A 69 -5.048 4.359 -8.976 1.00 0.00 O ATOM 994 CB LEU A 69 -1.902 4.285 -8.081 1.00 0.00 C ATOM 995 CG LEU A 69 -2.246 5.782 -8.088 1.00 0.00 C ATOM 996 CD1 LEU A 69 -3.063 6.180 -6.857 1.00 0.00 C ATOM 997 CD2 LEU A 69 -0.943 6.583 -8.163 1.00 0.00 C ATOM 0 H LEU A 69 -1.634 1.868 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.636 3.554 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.232 4.085 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.354 4.049 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.865 6.001 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.287 7.246 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.994 5.614 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.491 5.964 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.171 7.649 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.322 6.349 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.407 6.322 -9.076 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.928 2.871 -10.238 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.931 2.824 -11.284 1.00 0.00 C ATOM 1010 C LYS A 70 -6.125 1.996 -10.813 1.00 0.00 C ATOM 1011 O LYS A 70 -7.195 2.569 -10.721 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.288 2.395 -12.606 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.271 2.374 -13.781 1.00 0.00 C ATOM 1014 CD LYS A 70 -5.787 3.753 -14.229 1.00 0.00 C ATOM 1015 CE LYS A 70 -5.109 4.230 -15.520 1.00 0.00 C ATOM 1016 NZ LYS A 70 -5.681 5.486 -16.054 1.00 0.00 N ATOM 0 H LYS A 70 -3.088 2.328 -10.439 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.343 3.811 -11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.468 3.074 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.855 1.402 -12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.787 1.892 -14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.126 1.755 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.865 3.704 -14.383 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.611 4.481 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.045 4.375 -15.331 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.195 3.450 -16.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.368 5.620 -17.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.719 5.434 -16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.359 6.288 -15.475 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.980 0.705 -10.500 1.00 0.00 N ATOM 1027 CA ASP A 71 -7.065 -0.194 -10.066 1.00 0.00 C ATOM 1028 C ASP A 71 -8.046 0.444 -9.070 1.00 0.00 C ATOM 1029 O ASP A 71 -9.260 0.313 -9.238 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.534 -1.529 -9.492 1.00 0.00 C ATOM 1031 CG ASP A 71 -6.507 -2.684 -10.500 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -7.442 -2.846 -11.312 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -5.506 -3.435 -10.521 1.00 0.00 O ATOM 0 H ASP A 71 -5.075 0.237 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.621 -0.399 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.525 -1.371 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.154 -1.818 -8.643 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.538 1.157 -8.060 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.291 1.920 -7.087 1.00 0.00 C ATOM 1039 C ALA A 72 -9.139 2.951 -7.820 1.00 0.00 C ATOM 1040 O ALA A 72 -10.361 2.880 -7.746 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.322 2.566 -6.082 1.00 0.00 C ATOM 0 H ALA A 72 -6.532 1.214 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.963 1.275 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.888 3.141 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.754 1.788 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.637 3.228 -6.611 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.509 3.870 -8.558 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.178 4.879 -9.378 1.00 0.00 C ATOM 1049 C LYS A 73 -10.225 4.263 -10.312 1.00 0.00 C ATOM 1050 O LYS A 73 -11.303 4.851 -10.423 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.111 5.697 -10.129 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.652 6.557 -11.289 1.00 0.00 C ATOM 1053 CD LYS A 73 -7.928 6.292 -12.616 1.00 0.00 C ATOM 1054 CE LYS A 73 -6.779 7.277 -12.778 1.00 0.00 C ATOM 1055 NZ LYS A 73 -7.249 8.627 -13.159 1.00 0.00 N ATOM 0 H LYS A 73 -7.492 3.932 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.740 5.554 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.606 6.349 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.360 5.013 -10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.716 6.359 -11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.552 7.611 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.550 5.270 -12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.625 6.391 -13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.221 7.339 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.090 6.907 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.445 9.190 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.963 8.547 -13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.670 9.095 -12.331 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.951 3.126 -10.964 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.899 2.454 -11.851 1.00 0.00 C ATOM 1067 C ILE A 74 -12.218 2.227 -11.097 1.00 0.00 C ATOM 1068 O ILE A 74 -13.282 2.488 -11.650 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.317 1.135 -12.432 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -9.009 1.334 -13.240 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.358 0.447 -13.332 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.383 0.005 -13.690 1.00 0.00 C ATOM 0 H ILE A 74 -9.055 2.645 -10.887 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.095 3.093 -12.712 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.073 0.512 -11.571 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.218 1.948 -14.116 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.290 1.882 -12.631 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.939 -0.476 -13.733 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.249 0.217 -12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.625 1.112 -14.154 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.470 0.204 -14.251 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.146 -0.600 -12.815 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.088 -0.533 -14.323 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.146 1.788 -9.836 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.307 1.509 -8.994 1.00 0.00 C ATOM 1085 C ASN A 75 -13.660 2.690 -8.084 1.00 0.00 C ATOM 1086 O ASN A 75 -14.460 2.554 -7.158 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.079 0.206 -8.205 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.219 -0.744 -8.482 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.258 -0.683 -7.829 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.061 -1.572 -9.499 1.00 0.00 N ATOM 0 H ASN A 75 -11.258 1.614 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.174 1.368 -9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.132 -0.248 -8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.017 0.418 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.820 -2.196 -9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.180 -1.587 -10.012 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.035 3.846 -8.300 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.310 5.090 -7.601 1.00 0.00 C ATOM 1098 C GLY A 76 -12.788 5.084 -6.168 1.00 0.00 C ATOM 1099 O GLY A 76 -13.233 5.890 -5.350 1.00 0.00 O ATOM 0 H GLY A 76 -12.295 3.940 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.855 5.917 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.385 5.267 -7.592 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.872 4.173 -5.827 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.344 4.021 -4.482 1.00 0.00 C ATOM 1105 C LYS A 77 -10.090 4.881 -4.388 1.00 0.00 C ATOM 1106 O LYS A 77 -9.508 5.266 -5.410 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.062 2.538 -4.181 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.138 1.558 -4.681 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.529 1.638 -4.021 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.462 0.626 -4.715 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.854 0.647 -4.223 1.00 0.00 N ATOM 0 H LYS A 77 -11.474 3.512 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.064 4.351 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.107 2.266 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.953 2.416 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.264 1.713 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.759 0.545 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.456 1.416 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.932 2.647 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.464 0.827 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.056 -0.377 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.499 0.388 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.957 -0.034 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.087 1.601 -3.882 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.678 5.214 -3.177 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.569 6.116 -2.905 1.00 0.00 C ATOM 1123 C GLU A 78 -7.289 5.333 -2.618 1.00 0.00 C ATOM 1124 O GLU A 78 -7.262 4.108 -2.711 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.951 7.058 -1.747 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.604 8.510 -2.082 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.573 9.116 -3.105 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -9.748 8.564 -4.214 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -10.259 10.102 -2.747 1.00 0.00 O ATOM 0 H GLU A 78 -10.118 4.854 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.367 6.726 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.018 6.974 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.428 6.756 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.622 9.106 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.588 8.558 -2.474 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.201 6.025 -2.283 1.00 0.00 N ATOM 1135 CA PHE A 79 -4.953 5.392 -1.896 1.00 0.00 C ATOM 1136 C PHE A 79 -4.093 6.364 -1.098 1.00 0.00 C ATOM 1137 O PHE A 79 -3.823 7.481 -1.547 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.222 4.932 -3.150 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.746 4.661 -2.922 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.355 3.541 -2.166 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -1.769 5.553 -3.406 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -0.994 3.272 -1.959 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.409 5.281 -3.200 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.021 4.135 -2.485 1.00 0.00 C ATOM 0 H PHE A 79 -6.166 7.044 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.160 4.529 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.696 4.026 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.329 5.692 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.104 2.887 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.067 6.446 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.695 2.401 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.341 5.953 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.027 3.918 -2.340 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.674 5.936 0.087 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.851 6.664 1.039 1.00 0.00 C ATOM 1155 C ILE A 80 -1.934 5.622 1.670 1.00 0.00 C ATOM 1156 O ILE A 80 -2.409 4.542 2.006 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.756 7.336 2.105 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.765 8.303 1.447 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.887 8.026 3.177 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.844 8.830 2.381 1.00 0.00 C ATOM 0 H ILE A 80 -3.918 5.007 0.429 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.272 7.458 0.567 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.347 6.569 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.218 9.150 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.244 7.793 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.531 8.495 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.252 7.285 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.264 8.786 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.505 9.500 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.422 7.995 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.379 9.373 3.204 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.650 5.912 1.863 1.00 0.00 N ATOM 1172 CA LEU A 81 0.240 5.074 2.657 1.00 0.00 C ATOM 1173 C LEU A 81 0.334 5.670 4.051 1.00 0.00 C ATOM 1174 O LEU A 81 0.246 6.890 4.198 1.00 0.00 O ATOM 1175 CB LEU A 81 1.660 5.048 2.075 1.00 0.00 C ATOM 1176 CG LEU A 81 1.765 4.436 0.674 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.227 4.522 0.242 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.288 2.982 0.647 1.00 0.00 C ATOM 0 H LEU A 81 -0.197 6.738 1.471 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.161 4.061 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.043 6.068 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.305 4.487 2.751 1.00 0.00 H new ATOM 0 HG LEU A 81 1.121 4.988 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.338 4.094 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.541 5.566 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.848 3.968 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.380 2.588 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.899 2.386 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.245 2.935 0.961 1.00 0.00 H new ATOM 1189 N SER A 82 0.618 4.846 5.055 1.00 0.00 N ATOM 1190 CA SER A 82 0.913 5.320 6.394 1.00 0.00 C ATOM 1191 C SER A 82 1.937 4.443 7.109 1.00 0.00 C ATOM 1192 O SER A 82 2.279 3.363 6.627 1.00 0.00 O ATOM 1193 CB SER A 82 -0.398 5.415 7.176 1.00 0.00 C ATOM 1194 OG SER A 82 -0.420 6.625 7.868 1.00 0.00 O ATOM 0 H SER A 82 0.649 3.831 4.958 1.00 0.00 H new ATOM 0 HA SER A 82 1.371 6.307 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.248 5.353 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.484 4.580 7.872 1.00 0.00 H new ATOM 0 HG SER A 82 -0.981 7.268 7.386 1.00 0.00 H new ATOM 1199 N SER A 83 2.380 4.887 8.288 1.00 0.00 N ATOM 1200 CA SER A 83 3.336 4.200 9.150 1.00 0.00 C ATOM 1201 C SER A 83 4.599 3.777 8.392 1.00 0.00 C ATOM 1202 O SER A 83 5.172 2.712 8.622 1.00 0.00 O ATOM 1203 CB SER A 83 2.621 3.065 9.908 1.00 0.00 C ATOM 1204 OG SER A 83 3.008 3.067 11.269 1.00 0.00 O ATOM 0 H SER A 83 2.066 5.774 8.682 1.00 0.00 H new ATOM 0 HA SER A 83 3.712 4.890 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.541 3.189 9.829 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.865 2.105 9.454 1.00 0.00 H new ATOM 0 HG SER A 83 2.523 2.363 11.748 1.00 0.00 H new ATOM 1209 N LEU A 84 5.021 4.607 7.440 1.00 0.00 N ATOM 1210 CA LEU A 84 6.152 4.325 6.588 1.00 0.00 C ATOM 1211 C LEU A 84 7.438 4.358 7.388 1.00 0.00 C ATOM 1212 O LEU A 84 7.820 5.401 7.926 1.00 0.00 O ATOM 1213 CB LEU A 84 6.191 5.333 5.436 1.00 0.00 C ATOM 1214 CG LEU A 84 5.572 4.733 4.172 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.284 5.862 3.188 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.528 3.711 3.540 1.00 0.00 C ATOM 0 H LEU A 84 4.575 5.503 7.244 1.00 0.00 H new ATOM 0 HA LEU A 84 6.048 3.324 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.650 6.236 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.222 5.627 5.238 1.00 0.00 H new ATOM 0 HG LEU A 84 4.646 4.217 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.842 5.450 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.590 6.571 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.214 6.373 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.073 3.294 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.464 4.203 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.727 2.910 4.252 1.00 0.00 H new ATOM 1227 N LYS A 85 8.143 3.223 7.395 1.00 0.00 N ATOM 1228 CA LYS A 85 9.481 3.161 7.945 1.00 0.00 C ATOM 1229 C LYS A 85 10.347 4.178 7.268 1.00 0.00 C ATOM 1230 O LYS A 85 10.232 4.402 6.060 1.00 0.00 O ATOM 1231 CB LYS A 85 10.138 1.799 7.759 1.00 0.00 C ATOM 1232 CG LYS A 85 9.406 0.731 8.553 1.00 0.00 C ATOM 1233 CD LYS A 85 10.408 -0.311 9.056 1.00 0.00 C ATOM 1234 CE LYS A 85 9.576 -1.514 9.432 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.354 -2.605 10.055 1.00 0.00 N ATOM 0 H LYS A 85 7.800 2.338 7.023 1.00 0.00 H new ATOM 0 HA LYS A 85 9.385 3.354 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.141 1.534 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.179 1.846 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.883 1.184 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.651 0.253 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.136 -0.562 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.968 0.063 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.791 -1.201 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.082 -1.896 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.803 -3.486 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.246 -2.736 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.562 -2.362 11.045 1.00 0.00 H new ATOM 1245 N GLU A 86 11.314 4.675 8.019 1.00 0.00 N ATOM 1246 CA GLU A 86 12.221 5.676 7.470 1.00 0.00 C ATOM 1247 C GLU A 86 13.010 5.066 6.302 1.00 0.00 C ATOM 1248 O GLU A 86 13.238 5.720 5.282 1.00 0.00 O ATOM 1249 CB GLU A 86 13.092 6.283 8.584 1.00 0.00 C ATOM 1250 CG GLU A 86 14.268 7.103 8.032 1.00 0.00 C ATOM 1251 CD GLU A 86 14.853 8.078 9.058 1.00 0.00 C ATOM 1252 OE1 GLU A 86 14.150 9.058 9.402 1.00 0.00 O ATOM 1253 OE2 GLU A 86 16.025 7.884 9.449 1.00 0.00 O ATOM 0 H GLU A 86 11.492 4.412 8.988 1.00 0.00 H new ATOM 0 HA GLU A 86 11.663 6.516 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.474 6.920 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.477 5.483 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.052 6.424 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.935 7.662 7.157 1.00 0.00 H new ATOM 1258 N SER A 87 13.308 3.767 6.387 1.00 0.00 N ATOM 1259 CA SER A 87 14.040 3.025 5.365 1.00 0.00 C ATOM 1260 C SER A 87 13.315 2.974 4.019 1.00 0.00 C ATOM 1261 O SER A 87 13.962 2.764 2.998 1.00 0.00 O ATOM 1262 CB SER A 87 14.284 1.593 5.850 1.00 0.00 C ATOM 1263 OG SER A 87 14.795 1.600 7.169 1.00 0.00 O ATOM 0 H SER A 87 13.040 3.192 7.186 1.00 0.00 H new ATOM 0 HA SER A 87 14.980 3.555 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.353 1.027 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.986 1.091 5.184 1.00 0.00 H new ATOM 0 HG SER A 87 14.945 0.678 7.467 1.00 0.00 H new ATOM 1268 N ILE A 88 11.994 3.162 4.007 1.00 0.00 N ATOM 1269 CA ILE A 88 11.129 2.968 2.853 1.00 0.00 C ATOM 1270 C ILE A 88 10.583 4.320 2.415 1.00 0.00 C ATOM 1271 O ILE A 88 10.435 4.597 1.227 1.00 0.00 O ATOM 1272 CB ILE A 88 10.003 1.998 3.241 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.530 0.618 3.719 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.022 1.817 2.077 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.595 -0.026 2.835 1.00 0.00 C ATOM 0 H ILE A 88 11.482 3.465 4.836 1.00 0.00 H new ATOM 0 HA ILE A 88 11.678 2.537 2.016 1.00 0.00 H new ATOM 0 HB ILE A 88 9.483 2.449 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 88 10.939 0.734 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.685 -0.066 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.232 1.126 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.584 2.781 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.552 1.415 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.891 -0.984 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.191 -0.183 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.464 0.629 2.777 1.00 0.00 H new ATOM 1286 N SER A 89 10.340 5.193 3.383 1.00 0.00 N ATOM 1287 CA SER A 89 9.883 6.540 3.155 1.00 0.00 C ATOM 1288 C SER A 89 10.890 7.246 2.237 1.00 0.00 C ATOM 1289 O SER A 89 10.548 7.718 1.151 1.00 0.00 O ATOM 1290 CB SER A 89 9.723 7.231 4.516 1.00 0.00 C ATOM 1291 OG SER A 89 9.277 8.557 4.373 1.00 0.00 O ATOM 0 H SER A 89 10.461 4.970 4.371 1.00 0.00 H new ATOM 0 HA SER A 89 8.914 6.568 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.015 6.672 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.677 7.222 5.044 1.00 0.00 H new ATOM 0 HG SER A 89 9.184 8.968 5.258 1.00 0.00 H new ATOM 1296 N ARG A 90 12.175 7.203 2.619 1.00 0.00 N ATOM 1297 CA ARG A 90 13.277 7.677 1.789 1.00 0.00 C ATOM 1298 C ARG A 90 13.284 7.012 0.424 1.00 0.00 C ATOM 1299 O ARG A 90 13.636 7.677 -0.527 1.00 0.00 O ATOM 1300 CB ARG A 90 14.615 7.401 2.500 1.00 0.00 C ATOM 1301 CG ARG A 90 15.040 5.926 2.397 1.00 0.00 C ATOM 1302 CD ARG A 90 16.245 5.572 3.237 1.00 0.00 C ATOM 1303 NE ARG A 90 16.499 4.124 3.157 1.00 0.00 N ATOM 1304 CZ ARG A 90 17.415 3.418 3.823 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.192 3.991 4.741 1.00 0.00 N ATOM 1306 NH2 ARG A 90 17.537 2.121 3.585 1.00 0.00 N ATOM 0 H ARG A 90 12.474 6.834 3.522 1.00 0.00 H new ATOM 0 HA ARG A 90 13.143 8.748 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.391 8.031 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.529 7.679 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.203 5.296 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.256 5.693 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.118 6.124 2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.076 5.864 4.273 1.00 0.00 H new ATOM 0 HE ARG A 90 15.904 3.598 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.092 4.985 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.887 3.435 5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.934 1.670 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.234 1.573 4.089 1.00 0.00 H new ATOM 1317 N ILE A 91 12.975 5.722 0.305 1.00 0.00 N ATOM 1318 CA ILE A 91 13.137 4.974 -0.927 1.00 0.00 C ATOM 1319 C ILE A 91 12.143 5.556 -1.927 1.00 0.00 C ATOM 1320 O ILE A 91 12.515 5.894 -3.051 1.00 0.00 O ATOM 1321 CB ILE A 91 12.899 3.476 -0.613 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.227 2.769 -0.301 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.086 2.739 -1.686 1.00 0.00 C ATOM 1324 CD1 ILE A 91 13.986 1.336 0.185 1.00 0.00 C ATOM 0 H ILE A 91 12.601 5.166 1.074 1.00 0.00 H new ATOM 0 HA ILE A 91 14.135 5.050 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 91 12.275 3.442 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.853 2.754 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.771 3.328 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.961 1.696 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.107 3.207 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.612 2.789 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.942 0.859 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.380 1.356 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.464 0.772 -0.588 1.00 0.00 H new ATOM 1335 N LEU A 92 10.886 5.714 -1.496 1.00 0.00 N ATOM 1336 CA LEU A 92 9.877 6.346 -2.321 1.00 0.00 C ATOM 1337 C LEU A 92 10.348 7.755 -2.649 1.00 0.00 C ATOM 1338 O LEU A 92 10.273 8.164 -3.800 1.00 0.00 O ATOM 1339 CB LEU A 92 8.522 6.388 -1.606 1.00 0.00 C ATOM 1340 CG LEU A 92 7.923 4.995 -1.322 1.00 0.00 C ATOM 1341 CD1 LEU A 92 6.941 5.121 -0.155 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.234 4.401 -2.566 1.00 0.00 C ATOM 0 H LEU A 92 10.554 5.410 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 92 9.741 5.769 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.636 6.923 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.819 6.958 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 92 8.727 4.307 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.506 4.145 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.468 5.487 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.148 5.821 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.826 3.420 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.427 5.061 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.961 4.302 -3.372 1.00 0.00 H new ATOM 1353 N LYS A 93 10.854 8.514 -1.680 1.00 0.00 N ATOM 1354 CA LYS A 93 11.265 9.879 -1.907 1.00 0.00 C ATOM 1355 C LYS A 93 12.381 9.954 -2.957 1.00 0.00 C ATOM 1356 O LYS A 93 12.229 10.666 -3.951 1.00 0.00 O ATOM 1357 CB LYS A 93 11.578 10.479 -0.532 1.00 0.00 C ATOM 1358 CG LYS A 93 12.223 11.840 -0.694 1.00 0.00 C ATOM 1359 CD LYS A 93 11.799 12.902 0.329 1.00 0.00 C ATOM 1360 CE LYS A 93 12.548 12.710 1.643 1.00 0.00 C ATOM 1361 NZ LYS A 93 12.136 13.696 2.661 1.00 0.00 N ATOM 0 H LYS A 93 10.987 8.192 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 93 10.482 10.491 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.662 10.569 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.244 9.816 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.305 11.718 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.996 12.213 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.999 13.897 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.725 12.838 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.368 11.703 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.620 12.797 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.668 13.531 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.331 14.656 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.118 13.596 2.849 1.00 0.00 H new ATOM 1371 N LEU A 94 13.444 9.176 -2.777 1.00 0.00 N ATOM 1372 CA LEU A 94 14.573 8.969 -3.671 1.00 0.00 C ATOM 1373 C LEU A 94 14.077 8.731 -5.092 1.00 0.00 C ATOM 1374 O LEU A 94 14.415 9.509 -5.986 1.00 0.00 O ATOM 1375 CB LEU A 94 15.427 7.786 -3.156 1.00 0.00 C ATOM 1376 CG LEU A 94 16.368 8.124 -1.982 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.015 6.840 -1.449 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.456 9.113 -2.383 1.00 0.00 C ATOM 0 H LEU A 94 13.544 8.626 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 94 15.202 9.859 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.759 6.983 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.025 7.402 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 94 15.764 8.592 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.679 7.084 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.238 6.158 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.588 6.364 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.094 9.320 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.057 8.687 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 16.997 10.040 -2.726 1.00 0.00 H new ATOM 1389 N THR A 95 13.235 7.720 -5.301 1.00 0.00 N ATOM 1390 CA THR A 95 12.762 7.327 -6.628 1.00 0.00 C ATOM 1391 C THR A 95 11.648 8.237 -7.177 1.00 0.00 C ATOM 1392 O THR A 95 11.041 7.959 -8.212 1.00 0.00 O ATOM 1393 CB THR A 95 12.508 5.800 -6.620 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.702 5.176 -6.168 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.212 5.181 -7.990 1.00 0.00 C ATOM 0 H THR A 95 12.858 7.145 -4.547 1.00 0.00 H new ATOM 0 HA THR A 95 13.529 7.499 -7.383 1.00 0.00 H new ATOM 0 HB THR A 95 11.631 5.645 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.576 4.204 -6.149 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.049 4.109 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.319 5.642 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.058 5.351 -8.656 1.00 0.00 H new ATOM 1403 N HIS A 96 11.441 9.403 -6.559 1.00 0.00 N ATOM 1404 CA HIS A 96 10.409 10.377 -6.891 1.00 0.00 C ATOM 1405 C HIS A 96 9.021 9.751 -6.886 1.00 0.00 C ATOM 1406 O HIS A 96 8.179 10.070 -7.718 1.00 0.00 O ATOM 1407 CB HIS A 96 10.671 11.126 -8.208 1.00 0.00 C ATOM 1408 CG HIS A 96 12.066 11.692 -8.378 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.238 10.973 -8.537 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.382 13.022 -8.433 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.244 11.859 -8.649 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.752 13.110 -8.603 1.00 0.00 N ATOM 0 H HIS A 96 12.020 9.704 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 96 10.451 11.126 -6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.472 10.446 -9.036 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.955 11.944 -8.287 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.691 13.849 -8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.288 11.605 -8.759 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.293 13.971 -8.680 1.00 0.00 H new ATOM 1420 N LEU A 97 8.798 8.845 -5.946 1.00 0.00 N ATOM 1421 CA LEU A 97 7.602 8.061 -5.767 1.00 0.00 C ATOM 1422 C LEU A 97 6.748 8.669 -4.669 1.00 0.00 C ATOM 1423 O LEU A 97 5.529 8.642 -4.766 1.00 0.00 O ATOM 1424 CB LEU A 97 8.024 6.617 -5.431 1.00 0.00 C ATOM 1425 CG LEU A 97 7.421 5.566 -6.357 1.00 0.00 C ATOM 1426 CD1 LEU A 97 5.900 5.551 -6.270 1.00 0.00 C ATOM 1427 CD2 LEU A 97 7.892 5.747 -7.804 1.00 0.00 C ATOM 0 H LEU A 97 9.504 8.629 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 97 7.000 8.052 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.111 6.547 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.733 6.393 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 97 7.781 4.595 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.505 4.790 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.596 5.325 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.510 6.527 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.441 4.979 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.593 6.732 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.978 5.659 -7.847 1.00 0.00 H new ATOM 1438 N ASP A 98 7.356 9.273 -3.644 1.00 0.00 N ATOM 1439 CA ASP A 98 6.588 9.916 -2.579 1.00 0.00 C ATOM 1440 C ASP A 98 5.739 11.059 -3.154 1.00 0.00 C ATOM 1441 O ASP A 98 4.572 11.216 -2.797 1.00 0.00 O ATOM 1442 CB ASP A 98 7.500 10.407 -1.440 1.00 0.00 C ATOM 1443 CG ASP A 98 7.904 11.862 -1.638 1.00 0.00 C ATOM 1444 OD1 ASP A 98 8.827 12.103 -2.450 1.00 0.00 O ATOM 1445 OD2 ASP A 98 7.196 12.746 -1.106 1.00 0.00 O ATOM 0 H ASP A 98 8.368 9.329 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 98 5.916 9.174 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.984 10.298 -0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.393 9.783 -1.392 1.00 0.00 H new ATOM 1449 N LYS A 99 6.313 11.823 -4.091 1.00 0.00 N ATOM 1450 CA LYS A 99 5.696 12.978 -4.733 1.00 0.00 C ATOM 1451 C LYS A 99 4.494 12.641 -5.617 1.00 0.00 C ATOM 1452 O LYS A 99 3.825 13.560 -6.079 1.00 0.00 O ATOM 1453 CB LYS A 99 6.755 13.756 -5.531 1.00 0.00 C ATOM 1454 CG LYS A 99 7.455 12.903 -6.598 1.00 0.00 C ATOM 1455 CD LYS A 99 7.345 13.461 -8.025 1.00 0.00 C ATOM 1456 CE LYS A 99 8.202 14.710 -8.224 1.00 0.00 C ATOM 1457 NZ LYS A 99 7.918 15.367 -9.514 1.00 0.00 N ATOM 0 H LYS A 99 7.257 11.642 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 99 5.297 13.597 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.282 14.612 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.502 14.150 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.509 12.809 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.031 11.899 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.651 12.695 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.303 13.699 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.018 15.411 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.257 14.439 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.518 16.210 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.118 14.706 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.917 15.648 -9.547 1.00 0.00 H new ATOM 1467 N ILE A 100 4.233 11.365 -5.870 1.00 0.00 N ATOM 1468 CA ILE A 100 3.205 10.874 -6.779 1.00 0.00 C ATOM 1469 C ILE A 100 2.258 9.894 -6.067 1.00 0.00 C ATOM 1470 O ILE A 100 1.354 9.325 -6.681 1.00 0.00 O ATOM 1471 CB ILE A 100 3.893 10.282 -8.027 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.971 9.249 -7.706 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.534 11.379 -8.900 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.587 8.617 -8.960 1.00 0.00 C ATOM 0 H ILE A 100 4.756 10.610 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 100 2.565 11.692 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 100 3.088 9.783 -8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.759 9.724 -7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.541 8.464 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.008 10.922 -9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.764 12.076 -9.231 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.283 11.916 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.346 7.892 -8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.808 8.115 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.045 9.394 -9.572 1.00 0.00 H new ATOM 1485 N PHE A 101 2.472 9.685 -4.769 1.00 0.00 N ATOM 1486 CA PHE A 101 1.734 8.862 -3.823 1.00 0.00 C ATOM 1487 C PHE A 101 1.180 9.793 -2.730 1.00 0.00 C ATOM 1488 O PHE A 101 1.207 11.022 -2.871 1.00 0.00 O ATOM 1489 CB PHE A 101 2.722 7.819 -3.265 1.00 0.00 C ATOM 1490 CG PHE A 101 2.869 6.518 -4.037 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.723 6.445 -5.431 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.160 5.339 -3.337 1.00 0.00 C ATOM 1493 CE1 PHE A 101 2.820 5.225 -6.101 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.285 4.110 -3.989 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.100 4.071 -5.371 1.00 0.00 C ATOM 0 H PHE A 101 3.258 10.143 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 101 0.893 8.335 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.705 8.286 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.417 7.575 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.533 7.347 -5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.291 5.382 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.680 5.175 -7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.519 3.212 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.175 3.125 -5.887 1.00 0.00 H new ATOM 1504 N LYS A 102 0.639 9.240 -1.642 1.00 0.00 N ATOM 1505 CA LYS A 102 0.306 9.983 -0.432 1.00 0.00 C ATOM 1506 C LYS A 102 0.866 9.226 0.741 1.00 0.00 C ATOM 1507 O LYS A 102 0.826 8.000 0.731 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.209 10.216 -0.356 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.668 10.972 0.899 1.00 0.00 C ATOM 1510 CD LYS A 102 -3.022 11.681 0.716 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.586 12.041 2.097 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.932 12.645 2.051 1.00 0.00 N ATOM 0 H LYS A 102 0.418 8.246 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 102 0.752 10.977 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.524 10.774 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.716 9.252 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.741 10.272 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.912 11.710 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.898 12.581 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.717 11.033 0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.623 11.141 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.903 12.734 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.473 12.350 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.847 13.681 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.425 12.329 1.191 1.00 0.00 H new ATOM 1522 N ILE A 103 1.450 9.956 1.685 1.00 0.00 N ATOM 1523 CA ILE A 103 2.145 9.411 2.828 1.00 0.00 C ATOM 1524 C ILE A 103 1.560 10.089 4.065 1.00 0.00 C ATOM 1525 O ILE A 103 1.254 11.282 4.026 1.00 0.00 O ATOM 1526 CB ILE A 103 3.680 9.608 2.686 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.283 8.692 1.592 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.398 9.326 4.021 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.268 9.270 0.175 1.00 0.00 C ATOM 0 H ILE A 103 1.448 10.976 1.668 1.00 0.00 H new ATOM 0 HA ILE A 103 2.005 8.333 2.911 1.00 0.00 H new ATOM 0 HB ILE A 103 3.833 10.648 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.314 8.461 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.736 7.749 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.471 9.471 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.027 10.009 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.204 8.298 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.711 8.552 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.240 9.473 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.842 10.196 0.154 1.00 0.00 H new ATOM 1540 N THR A 104 1.427 9.319 5.142 1.00 0.00 N ATOM 1541 CA THR A 104 1.014 9.734 6.468 1.00 0.00 C ATOM 1542 C THR A 104 1.788 8.907 7.502 1.00 0.00 C ATOM 1543 O THR A 104 2.654 8.097 7.162 1.00 0.00 O ATOM 1544 CB THR A 104 -0.521 9.649 6.597 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.055 8.453 6.056 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.225 10.802 5.885 1.00 0.00 C ATOM 0 H THR A 104 1.620 8.318 5.102 1.00 0.00 H new ATOM 0 HA THR A 104 1.258 10.780 6.654 1.00 0.00 H new ATOM 0 HB THR A 104 -0.702 9.688 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.399 8.045 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.304 10.699 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.901 11.749 6.318 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.973 10.783 4.825 1.00 0.00 H new ATOM 1554 N ASP A 105 1.486 9.140 8.773 1.00 0.00 N ATOM 1555 CA ASP A 105 2.249 8.704 9.930 1.00 0.00 C ATOM 1556 C ASP A 105 1.481 7.611 10.631 1.00 0.00 C ATOM 1557 O ASP A 105 1.994 6.523 10.899 1.00 0.00 O ATOM 1558 CB ASP A 105 2.403 9.865 10.919 1.00 0.00 C ATOM 1559 CG ASP A 105 3.728 10.576 10.758 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.772 9.891 10.820 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.742 11.820 10.674 1.00 0.00 O ATOM 0 H ASP A 105 0.654 9.669 9.036 1.00 0.00 H new ATOM 0 HA ASP A 105 3.228 8.355 9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.590 10.576 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.316 9.487 11.938 1.00 0.00 H new ATOM 1565 N THR A 106 0.235 7.931 10.935 1.00 0.00 N ATOM 1566 CA THR A 106 -0.737 7.028 11.486 1.00 0.00 C ATOM 1567 C THR A 106 -1.800 6.908 10.414 1.00 0.00 C ATOM 1568 O THR A 106 -2.141 7.888 9.740 1.00 0.00 O ATOM 1569 CB THR A 106 -1.276 7.567 12.821 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.659 8.929 12.716 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.187 7.493 13.898 1.00 0.00 C ATOM 0 H THR A 106 -0.134 8.871 10.795 1.00 0.00 H new ATOM 0 HA THR A 106 -0.327 6.048 11.729 1.00 0.00 H new ATOM 0 HB THR A 106 -2.139 6.955 13.083 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.999 9.241 13.581 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.580 7.877 14.839 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.124 6.457 14.031 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.670 8.092 13.591 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.353 5.710 10.267 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.472 5.450 9.377 1.00 0.00 C ATOM 1581 C VAL A 107 -4.608 6.428 9.714 1.00 0.00 C ATOM 1582 O VAL A 107 -5.333 6.889 8.836 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.823 3.963 9.563 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -5.245 3.607 9.174 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.837 3.068 8.799 1.00 0.00 C ATOM 0 H VAL A 107 -2.031 4.883 10.770 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.253 5.617 8.322 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.741 3.781 10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.410 2.542 9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.943 4.179 9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.405 3.844 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.106 2.022 8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.877 3.307 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.827 3.239 9.172 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.714 6.800 10.986 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.672 7.752 11.531 1.00 0.00 C ATOM 1597 C GLU A 108 -5.515 9.170 10.960 1.00 0.00 C ATOM 1598 O GLU A 108 -6.485 9.927 10.976 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.553 7.751 13.053 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.005 6.383 13.584 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.310 6.445 14.360 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -7.279 6.864 15.536 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.342 5.983 13.815 1.00 0.00 O ATOM 0 H GLU A 108 -4.097 6.422 11.705 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.670 7.432 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.524 7.950 13.351 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.168 8.543 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.120 5.695 12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.226 5.974 14.228 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.371 9.524 10.373 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.089 10.844 9.808 1.00 0.00 C ATOM 1610 C GLU A 109 -4.493 10.977 8.327 1.00 0.00 C ATOM 1611 O GLU A 109 -4.427 12.076 7.767 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.583 11.116 9.951 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.289 12.574 10.298 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.391 12.835 11.801 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -3.510 12.834 12.377 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -1.323 13.022 12.414 1.00 0.00 O ATOM 0 H GLU A 109 -3.588 8.877 10.275 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.687 11.572 10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.171 10.470 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.079 10.857 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.289 12.835 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.989 13.221 9.769 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.855 9.862 7.685 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.148 9.734 6.258 1.00 0.00 C ATOM 1623 C ALA A 110 -6.194 10.739 5.777 1.00 0.00 C ATOM 1624 O ALA A 110 -5.941 11.453 4.784 1.00 0.00 O ATOM 1625 CB ALA A 110 -5.565 8.287 6.000 1.00 0.00 C ATOM 0 H ALA A 110 -4.957 8.975 8.178 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.256 9.972 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.791 8.157 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.752 7.618 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -6.450 8.052 6.592 1.00 0.00 H new