USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 631 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 Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 GLN : amide:sc= -2.62! K(o=-2.6!,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -125:sc= -2.39! (180deg=-2.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 24 TYR OH : rot -35:sc= 1.71 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-7.5!) USER MOD Single : A 28 ASN : amide:sc= -4.94! C(o=-4.9!,f=-11!) USER MOD Single : A 33 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00432 USER MOD Single : A 36 THR OG1 : rot 149:sc= 0.0072 USER MOD Single : A 38 THR OG1 : rot -34:sc= -0.666 USER MOD Single : A 39 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.0057) USER MOD Single : A 43 ASN : amide:sc= -2.33 K(o=-2.3,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -4.85! C(o=-4.8!,f=-7.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0163 (180deg=-0.337) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= -0.016 (180deg=-0.351) USER MOD Single : A 71 SER OG : rot 180:sc= -0.595 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 170:sc= -0.0893 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -137:sc= -0.253 (180deg=-1.42!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -9.820 10.169 -10.727 1.00 0.00 N ATOM 12 CA PHE A 13 -10.146 9.241 -9.610 1.00 0.00 C ATOM 13 C PHE A 13 -8.915 8.397 -9.273 1.00 0.00 C ATOM 14 O PHE A 13 -8.610 8.161 -8.120 1.00 0.00 O ATOM 15 CB PHE A 13 -11.290 8.312 -10.046 1.00 0.00 C ATOM 16 CG PHE A 13 -12.577 9.100 -10.153 1.00 0.00 C ATOM 17 CD1 PHE A 13 -13.394 9.254 -9.026 1.00 0.00 C ATOM 18 CD2 PHE A 13 -12.955 9.676 -11.375 1.00 0.00 C ATOM 19 CE1 PHE A 13 -14.587 9.982 -9.118 1.00 0.00 C ATOM 20 CE2 PHE A 13 -14.148 10.404 -11.466 1.00 0.00 C ATOM 21 CZ PHE A 13 -14.964 10.557 -10.339 1.00 0.00 C ATOM 0 HA PHE A 13 -10.447 9.815 -8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.053 7.853 -11.006 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.407 7.502 -9.326 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -13.104 8.811 -8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.326 9.558 -12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -15.216 10.100 -8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.439 10.848 -12.407 1.00 0.00 H new ATOM 0 HZ PHE A 13 -15.884 11.118 -10.411 1.00 0.00 H new ATOM 31 N PHE A 14 -8.224 7.933 -10.276 1.00 0.00 N ATOM 32 CA PHE A 14 -7.018 7.086 -10.048 1.00 0.00 C ATOM 33 C PHE A 14 -5.950 7.874 -9.290 1.00 0.00 C ATOM 34 O PHE A 14 -5.329 7.369 -8.376 1.00 0.00 O ATOM 35 CB PHE A 14 -6.452 6.645 -11.405 1.00 0.00 C ATOM 36 CG PHE A 14 -7.405 5.667 -12.052 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.325 4.305 -11.738 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.367 6.121 -12.963 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.208 3.396 -12.334 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.250 5.211 -13.559 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.170 3.850 -13.243 1.00 0.00 C ATOM 0 H PHE A 14 -8.446 8.106 -11.256 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.301 6.215 -9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.309 7.511 -12.051 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.474 6.182 -11.271 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.582 3.955 -11.036 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.428 7.172 -13.206 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.146 2.345 -12.092 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.992 5.560 -14.262 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.852 3.149 -13.701 1.00 0.00 H new ATOM 51 N ASN A 15 -5.725 9.101 -9.669 1.00 0.00 N ATOM 52 CA ASN A 15 -4.685 9.926 -8.988 1.00 0.00 C ATOM 53 C ASN A 15 -5.051 10.126 -7.516 1.00 0.00 C ATOM 54 O ASN A 15 -4.206 10.051 -6.644 1.00 0.00 O ATOM 55 CB ASN A 15 -4.604 11.294 -9.677 1.00 0.00 C ATOM 56 CG ASN A 15 -3.585 12.175 -8.952 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.484 11.745 -8.671 1.00 0.00 O ATOM 58 ND2 ASN A 15 -3.905 13.401 -8.636 1.00 0.00 N ATOM 0 H ASN A 15 -6.220 9.572 -10.426 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.724 9.415 -9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.315 11.170 -10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.583 11.773 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.231 13.996 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.829 13.764 -8.871 1.00 0.00 H new ATOM 65 N GLU A 16 -6.302 10.386 -7.242 1.00 0.00 N ATOM 66 CA GLU A 16 -6.745 10.610 -5.833 1.00 0.00 C ATOM 67 C GLU A 16 -6.612 9.317 -5.023 1.00 0.00 C ATOM 68 O GLU A 16 -6.232 9.341 -3.868 1.00 0.00 O ATOM 69 CB GLU A 16 -8.215 11.062 -5.827 1.00 0.00 C ATOM 70 CG GLU A 16 -8.339 12.438 -6.491 1.00 0.00 C ATOM 71 CD GLU A 16 -7.596 13.486 -5.657 1.00 0.00 C ATOM 72 OE1 GLU A 16 -7.353 13.224 -4.489 1.00 0.00 O ATOM 73 OE2 GLU A 16 -7.279 14.532 -6.201 1.00 0.00 O ATOM 0 H GLU A 16 -7.043 10.453 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.117 11.379 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.830 10.335 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.587 11.107 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.927 12.404 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.390 12.713 -6.585 1.00 0.00 H new ATOM 80 N GLN A 17 -6.929 8.197 -5.615 1.00 0.00 N ATOM 81 CA GLN A 17 -6.829 6.900 -4.881 1.00 0.00 C ATOM 82 C GLN A 17 -5.366 6.600 -4.560 1.00 0.00 C ATOM 83 O GLN A 17 -5.046 6.107 -3.495 1.00 0.00 O ATOM 84 CB GLN A 17 -7.391 5.769 -5.755 1.00 0.00 C ATOM 85 CG GLN A 17 -8.913 5.904 -5.863 1.00 0.00 C ATOM 86 CD GLN A 17 -9.560 5.601 -4.508 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.499 6.263 -4.111 1.00 0.00 O ATOM 88 NE2 GLN A 17 -9.102 4.621 -3.778 1.00 0.00 N ATOM 0 H GLN A 17 -7.254 8.123 -6.579 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.400 6.970 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.942 5.807 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.132 4.802 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.176 6.912 -6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.295 5.219 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.314 4.064 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.532 4.412 -2.877 1.00 0.00 H new ATOM 97 N LYS A 18 -4.480 6.883 -5.477 1.00 0.00 N ATOM 98 CA LYS A 18 -3.033 6.608 -5.244 1.00 0.00 C ATOM 99 C LYS A 18 -2.525 7.448 -4.070 1.00 0.00 C ATOM 100 O LYS A 18 -1.792 6.966 -3.228 1.00 0.00 O ATOM 101 CB LYS A 18 -2.236 6.967 -6.508 1.00 0.00 C ATOM 102 CG LYS A 18 -2.527 5.936 -7.603 1.00 0.00 C ATOM 103 CD LYS A 18 -1.777 6.309 -8.886 1.00 0.00 C ATOM 104 CE LYS A 18 -2.156 5.331 -10.002 1.00 0.00 C ATOM 105 NZ LYS A 18 -1.658 3.968 -9.666 1.00 0.00 N ATOM 0 H LYS A 18 -4.699 7.296 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.902 5.551 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.508 7.965 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.169 6.986 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.223 4.944 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.599 5.893 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.025 7.328 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.701 6.280 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.238 5.312 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.729 5.661 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.065 3.613 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.095 4.010 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.466 3.328 -9.527 1.00 0.00 H new ATOM 119 N GLU A 19 -2.906 8.696 -4.017 1.00 0.00 N ATOM 120 CA GLU A 19 -2.447 9.584 -2.910 1.00 0.00 C ATOM 121 C GLU A 19 -3.057 9.128 -1.585 1.00 0.00 C ATOM 122 O GLU A 19 -2.389 9.084 -0.568 1.00 0.00 O ATOM 123 CB GLU A 19 -2.900 11.022 -3.197 1.00 0.00 C ATOM 124 CG GLU A 19 -2.136 11.567 -4.405 1.00 0.00 C ATOM 125 CD GLU A 19 -2.640 12.972 -4.749 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.543 13.440 -4.074 1.00 0.00 O ATOM 127 OE2 GLU A 19 -2.112 13.556 -5.681 1.00 0.00 O ATOM 0 H GLU A 19 -3.520 9.142 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.360 9.537 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.972 11.045 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.721 11.652 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.068 11.597 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.269 10.904 -5.260 1.00 0.00 H new ATOM 134 N LYS A 20 -4.323 8.801 -1.593 1.00 0.00 N ATOM 135 CA LYS A 20 -5.008 8.357 -0.343 1.00 0.00 C ATOM 136 C LYS A 20 -4.416 7.031 0.132 1.00 0.00 C ATOM 137 O LYS A 20 -4.197 6.824 1.309 1.00 0.00 O ATOM 138 CB LYS A 20 -6.505 8.152 -0.619 1.00 0.00 C ATOM 139 CG LYS A 20 -7.187 9.501 -0.871 1.00 0.00 C ATOM 140 CD LYS A 20 -8.641 9.278 -1.323 1.00 0.00 C ATOM 141 CE LYS A 20 -9.512 8.859 -0.129 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.952 8.916 -0.515 1.00 0.00 N ATOM 0 H LYS A 20 -4.918 8.823 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.869 9.120 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.637 7.502 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.973 7.652 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.168 10.103 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.641 10.057 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.035 10.192 -1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.675 8.509 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.250 7.850 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.326 9.518 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.540 8.632 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.197 9.886 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.124 8.269 -1.311 1.00 0.00 H new ATOM 156 N VAL A 21 -4.179 6.130 -0.781 1.00 0.00 N ATOM 157 CA VAL A 21 -3.623 4.798 -0.413 1.00 0.00 C ATOM 158 C VAL A 21 -2.220 4.962 0.165 1.00 0.00 C ATOM 159 O VAL A 21 -1.871 4.336 1.149 1.00 0.00 O ATOM 160 CB VAL A 21 -3.567 3.916 -1.670 1.00 0.00 C ATOM 161 CG1 VAL A 21 -2.761 2.643 -1.379 1.00 0.00 C ATOM 162 CG2 VAL A 21 -4.994 3.530 -2.084 1.00 0.00 C ATOM 0 H VAL A 21 -4.349 6.262 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.260 4.330 0.338 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.086 4.470 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.725 2.022 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.747 2.914 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.237 2.087 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.957 2.904 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.472 2.979 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.568 4.432 -2.297 1.00 0.00 H new ATOM 172 N THR A 22 -1.413 5.782 -0.449 1.00 0.00 N ATOM 173 CA THR A 22 -0.021 5.982 0.044 1.00 0.00 C ATOM 174 C THR A 22 -0.063 6.539 1.463 1.00 0.00 C ATOM 175 O THR A 22 0.608 6.052 2.352 1.00 0.00 O ATOM 176 CB THR A 22 0.697 6.980 -0.872 1.00 0.00 C ATOM 177 OG1 THR A 22 0.769 6.447 -2.187 1.00 0.00 O ATOM 178 CG2 THR A 22 2.109 7.234 -0.344 1.00 0.00 C ATOM 0 H THR A 22 -1.659 6.326 -1.276 1.00 0.00 H new ATOM 0 HA THR A 22 0.511 5.031 0.042 1.00 0.00 H new ATOM 0 HB THR A 22 0.144 7.919 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.095 6.564 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.619 7.944 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.052 7.644 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.664 6.296 -0.324 1.00 0.00 H new ATOM 186 N LEU A 23 -0.852 7.554 1.676 1.00 0.00 N ATOM 187 CA LEU A 23 -0.959 8.158 3.027 1.00 0.00 C ATOM 188 C LEU A 23 -1.590 7.148 3.984 1.00 0.00 C ATOM 189 O LEU A 23 -1.194 7.031 5.129 1.00 0.00 O ATOM 190 CB LEU A 23 -1.840 9.416 2.957 1.00 0.00 C ATOM 191 CG LEU A 23 -1.908 10.084 4.338 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.501 10.528 4.774 1.00 0.00 C ATOM 193 CD2 LEU A 23 -2.833 11.304 4.269 1.00 0.00 C ATOM 0 H LEU A 23 -1.433 7.994 0.962 1.00 0.00 H new ATOM 0 HA LEU A 23 0.034 8.430 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.434 10.114 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.843 9.150 2.622 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.298 9.371 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.556 11.001 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.155 9.659 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.103 11.239 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.882 11.779 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.444 12.015 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.832 10.987 3.969 1.00 0.00 H new ATOM 205 N TYR A 24 -2.585 6.441 3.521 1.00 0.00 N ATOM 206 CA TYR A 24 -3.280 5.443 4.380 1.00 0.00 C ATOM 207 C TYR A 24 -2.284 4.374 4.822 1.00 0.00 C ATOM 208 O TYR A 24 -2.195 4.038 5.987 1.00 0.00 O ATOM 209 CB TYR A 24 -4.404 4.780 3.570 1.00 0.00 C ATOM 210 CG TYR A 24 -5.133 3.786 4.442 1.00 0.00 C ATOM 211 CD1 TYR A 24 -4.606 2.504 4.639 1.00 0.00 C ATOM 212 CD2 TYR A 24 -6.337 4.149 5.057 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.282 1.586 5.453 1.00 0.00 C ATOM 214 CE2 TYR A 24 -7.014 3.231 5.869 1.00 0.00 C ATOM 215 CZ TYR A 24 -6.486 1.950 6.068 1.00 0.00 C ATOM 216 OH TYR A 24 -7.150 1.047 6.873 1.00 0.00 O ATOM 0 H TYR A 24 -2.950 6.514 2.571 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.697 5.940 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.098 5.537 3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.990 4.278 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.678 2.223 4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.744 5.138 4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.875 0.598 5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.944 3.511 6.342 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.035 0.142 6.514 1.00 0.00 H new ATOM 226 N LEU A 25 -1.540 3.844 3.893 1.00 0.00 N ATOM 227 CA LEU A 25 -0.540 2.792 4.219 1.00 0.00 C ATOM 228 C LEU A 25 0.551 3.374 5.112 1.00 0.00 C ATOM 229 O LEU A 25 1.004 2.745 6.046 1.00 0.00 O ATOM 230 CB LEU A 25 0.107 2.296 2.919 1.00 0.00 C ATOM 231 CG LEU A 25 -0.924 1.526 2.084 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.359 1.277 0.681 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.249 0.177 2.757 1.00 0.00 C ATOM 0 H LEU A 25 -1.584 4.100 2.907 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.038 1.971 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.492 3.141 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.957 1.652 3.148 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.838 2.115 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.090 0.730 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.142 2.231 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.558 0.692 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.982 -0.362 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.339 -0.417 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.656 0.356 3.752 1.00 0.00 H new ATOM 245 N LYS A 26 0.986 4.563 4.808 1.00 0.00 N ATOM 246 CA LYS A 26 2.073 5.205 5.597 1.00 0.00 C ATOM 247 C LYS A 26 1.666 5.343 7.064 1.00 0.00 C ATOM 248 O LYS A 26 2.452 5.086 7.956 1.00 0.00 O ATOM 249 CB LYS A 26 2.354 6.599 5.021 1.00 0.00 C ATOM 250 CG LYS A 26 3.546 7.222 5.750 1.00 0.00 C ATOM 251 CD LYS A 26 3.879 8.582 5.129 1.00 0.00 C ATOM 252 CE LYS A 26 5.084 9.194 5.846 1.00 0.00 C ATOM 253 NZ LYS A 26 5.419 10.509 5.228 1.00 0.00 N ATOM 0 H LYS A 26 0.630 5.126 4.035 1.00 0.00 H new ATOM 0 HA LYS A 26 2.965 4.582 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.564 6.528 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.475 7.234 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.315 7.342 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.410 6.561 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.096 8.465 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.020 9.248 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.862 9.325 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.939 8.521 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.238 10.924 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.648 10.372 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.604 11.150 5.313 1.00 0.00 H new ATOM 267 N HIS A 27 0.459 5.765 7.323 1.00 0.00 N ATOM 268 CA HIS A 27 0.011 5.942 8.736 1.00 0.00 C ATOM 269 C HIS A 27 -0.123 4.579 9.427 1.00 0.00 C ATOM 270 O HIS A 27 0.176 4.442 10.597 1.00 0.00 O ATOM 271 CB HIS A 27 -1.343 6.671 8.764 1.00 0.00 C ATOM 272 CG HIS A 27 -1.140 8.128 8.432 1.00 0.00 C ATOM 273 ND1 HIS A 27 -2.003 9.117 8.885 1.00 0.00 N ATOM 274 CD2 HIS A 27 -0.177 8.781 7.702 1.00 0.00 C ATOM 275 CE1 HIS A 27 -1.544 10.297 8.430 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.434 10.149 7.702 1.00 0.00 N ATOM 0 H HIS A 27 -0.239 5.996 6.616 1.00 0.00 H new ATOM 0 HA HIS A 27 0.754 6.536 9.268 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.027 6.216 8.048 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.800 6.572 9.748 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.654 8.305 7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.016 11.248 8.629 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.109 10.881 7.244 1.00 0.00 H new ATOM 284 N ASN A 28 -0.576 3.577 8.717 1.00 0.00 N ATOM 285 CA ASN A 28 -0.736 2.223 9.333 1.00 0.00 C ATOM 286 C ASN A 28 0.584 1.472 9.208 1.00 0.00 C ATOM 287 O ASN A 28 0.742 0.374 9.717 1.00 0.00 O ATOM 288 CB ASN A 28 -1.823 1.434 8.586 1.00 0.00 C ATOM 289 CG ASN A 28 -3.122 2.238 8.545 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.096 3.449 8.454 1.00 0.00 O ATOM 291 ND2 ASN A 28 -4.266 1.609 8.605 1.00 0.00 N ATOM 0 H ASN A 28 -0.843 3.638 7.734 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.020 2.331 10.380 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.491 1.213 7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.994 0.478 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.139 2.135 8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.285 0.592 8.681 1.00 0.00 H new ATOM 298 N ILE A 29 1.533 2.063 8.529 1.00 0.00 N ATOM 299 CA ILE A 29 2.863 1.417 8.346 1.00 0.00 C ATOM 300 C ILE A 29 3.967 2.479 8.520 1.00 0.00 C ATOM 301 O ILE A 29 4.313 3.180 7.586 1.00 0.00 O ATOM 302 CB ILE A 29 2.958 0.805 6.954 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.733 -0.085 6.709 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.230 -0.042 6.874 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.794 -0.671 5.298 1.00 0.00 C ATOM 0 H ILE A 29 1.439 2.978 8.088 1.00 0.00 H new ATOM 0 HA ILE A 29 2.988 0.628 9.088 1.00 0.00 H new ATOM 0 HB ILE A 29 2.990 1.592 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.702 -0.888 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.819 0.496 6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.310 -0.486 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.099 0.589 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.188 -0.833 7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.922 -1.303 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.804 0.138 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.700 -1.267 5.190 1.00 0.00 H new ATOM 317 N PRO A 30 4.518 2.610 9.708 1.00 0.00 N ATOM 318 CA PRO A 30 5.584 3.618 9.987 1.00 0.00 C ATOM 319 C PRO A 30 6.909 3.220 9.334 1.00 0.00 C ATOM 320 O PRO A 30 7.797 4.028 9.161 1.00 0.00 O ATOM 321 CB PRO A 30 5.702 3.612 11.521 1.00 0.00 C ATOM 322 CG PRO A 30 5.213 2.265 11.948 1.00 0.00 C ATOM 323 CD PRO A 30 4.193 1.814 10.905 1.00 0.00 C ATOM 0 HA PRO A 30 5.344 4.602 9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.732 3.775 11.837 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.103 4.407 11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.039 1.557 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.758 2.315 12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.274 0.745 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.173 1.999 11.241 1.00 0.00 H new ATOM 331 N ASP A 31 7.039 1.970 8.984 1.00 0.00 N ATOM 332 CA ASP A 31 8.297 1.478 8.349 1.00 0.00 C ATOM 333 C ASP A 31 8.150 1.554 6.829 1.00 0.00 C ATOM 334 O ASP A 31 8.992 1.080 6.091 1.00 0.00 O ATOM 335 CB ASP A 31 8.543 0.026 8.775 1.00 0.00 C ATOM 336 CG ASP A 31 8.851 -0.019 10.275 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.121 1.030 10.836 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.814 -1.103 10.834 1.00 0.00 O ATOM 0 H ASP A 31 6.319 1.259 9.112 1.00 0.00 H new ATOM 0 HA ASP A 31 9.140 2.093 8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.666 -0.583 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.374 -0.395 8.209 1.00 0.00 H new ATOM 343 N PHE A 32 7.081 2.146 6.366 1.00 0.00 N ATOM 344 CA PHE A 32 6.847 2.268 4.898 1.00 0.00 C ATOM 345 C PHE A 32 8.040 2.937 4.231 1.00 0.00 C ATOM 346 O PHE A 32 8.812 3.634 4.856 1.00 0.00 O ATOM 347 CB PHE A 32 5.586 3.108 4.654 1.00 0.00 C ATOM 348 CG PHE A 32 5.425 3.377 3.173 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.141 2.323 2.300 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.557 4.682 2.674 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.992 2.567 0.933 1.00 0.00 C ATOM 352 CE2 PHE A 32 5.406 4.927 1.305 1.00 0.00 C ATOM 353 CZ PHE A 32 5.125 3.872 0.434 1.00 0.00 C ATOM 0 H PHE A 32 6.352 2.555 6.950 1.00 0.00 H new ATOM 0 HA PHE A 32 6.716 1.273 4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.710 2.583 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.655 4.050 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.037 1.319 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.775 5.498 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.774 1.751 0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.507 5.932 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.010 4.060 -0.623 1.00 0.00 H new ATOM 363 N ASN A 33 8.188 2.725 2.952 1.00 0.00 N ATOM 364 CA ASN A 33 9.323 3.338 2.205 1.00 0.00 C ATOM 365 C ASN A 33 8.864 3.690 0.790 1.00 0.00 C ATOM 366 O ASN A 33 9.026 4.805 0.336 1.00 0.00 O ATOM 367 CB ASN A 33 10.474 2.334 2.122 1.00 0.00 C ATOM 368 CG ASN A 33 11.746 3.062 1.693 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.974 4.190 2.085 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.588 2.467 0.896 1.00 0.00 N ATOM 0 H ASN A 33 7.565 2.148 2.387 1.00 0.00 H new ATOM 0 HA ASN A 33 9.656 4.239 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.624 1.854 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.234 1.546 1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.438 2.948 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.397 1.521 0.567 1.00 0.00 H new ATOM 377 N THR A 34 8.299 2.743 0.086 1.00 0.00 N ATOM 378 CA THR A 34 7.833 3.012 -1.307 1.00 0.00 C ATOM 379 C THR A 34 6.633 2.134 -1.636 1.00 0.00 C ATOM 380 O THR A 34 6.480 1.054 -1.115 1.00 0.00 O ATOM 381 CB THR A 34 8.968 2.713 -2.287 1.00 0.00 C ATOM 382 OG1 THR A 34 8.476 2.798 -3.616 1.00 0.00 O ATOM 383 CG2 THR A 34 9.524 1.309 -2.033 1.00 0.00 C ATOM 0 H THR A 34 8.140 1.792 0.418 1.00 0.00 H new ATOM 0 HA THR A 34 7.540 4.059 -1.390 1.00 0.00 H new ATOM 0 HB THR A 34 9.767 3.441 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.202 2.608 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.332 1.105 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.905 1.248 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.731 0.574 -2.168 1.00 0.00 H new ATOM 391 N VAL A 35 5.785 2.611 -2.508 1.00 0.00 N ATOM 392 CA VAL A 35 4.564 1.847 -2.908 1.00 0.00 C ATOM 393 C VAL A 35 4.490 1.749 -4.426 1.00 0.00 C ATOM 394 O VAL A 35 4.726 2.706 -5.137 1.00 0.00 O ATOM 395 CB VAL A 35 3.318 2.570 -2.379 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.265 4.004 -2.919 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.068 1.813 -2.822 1.00 0.00 C ATOM 0 H VAL A 35 5.888 3.515 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 35 4.612 0.843 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 35 3.363 2.605 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.376 4.505 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.154 4.547 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.227 3.981 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.181 2.324 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.032 1.775 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.097 0.799 -2.424 1.00 0.00 H new ATOM 407 N THR A 36 4.148 0.587 -4.922 1.00 0.00 N ATOM 408 CA THR A 36 4.032 0.382 -6.398 1.00 0.00 C ATOM 409 C THR A 36 2.587 0.033 -6.742 1.00 0.00 C ATOM 410 O THR A 36 2.082 -1.016 -6.387 1.00 0.00 O ATOM 411 CB THR A 36 4.963 -0.752 -6.831 1.00 0.00 C ATOM 412 OG1 THR A 36 6.298 -0.428 -6.462 1.00 0.00 O ATOM 413 CG2 THR A 36 4.883 -0.920 -8.350 1.00 0.00 C ATOM 0 H THR A 36 3.942 -0.239 -4.360 1.00 0.00 H new ATOM 0 HA THR A 36 4.318 1.294 -6.922 1.00 0.00 H new ATOM 0 HB THR A 36 4.663 -1.680 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.792 -1.251 -6.267 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.545 -1.727 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.859 -1.160 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.188 0.007 -8.835 1.00 0.00 H new ATOM 421 N PHE A 37 1.927 0.925 -7.429 1.00 0.00 N ATOM 422 CA PHE A 37 0.505 0.707 -7.816 1.00 0.00 C ATOM 423 C PHE A 37 0.423 -0.191 -9.046 1.00 0.00 C ATOM 424 O PHE A 37 1.259 -0.141 -9.924 1.00 0.00 O ATOM 425 CB PHE A 37 -0.151 2.057 -8.122 1.00 0.00 C ATOM 426 CG PHE A 37 -0.368 2.814 -6.832 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.479 2.526 -6.032 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.545 3.799 -6.432 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.680 3.221 -4.834 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.344 4.495 -5.234 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.768 4.205 -4.434 1.00 0.00 C ATOM 0 H PHE A 37 2.321 1.812 -7.744 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.017 0.222 -6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.481 2.637 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.103 1.904 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.182 1.766 -6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.404 4.021 -7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.539 2.998 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.047 5.256 -4.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.922 4.740 -3.509 1.00 0.00 H new ATOM 441 N THR A 38 -0.596 -1.007 -9.106 1.00 0.00 N ATOM 442 CA THR A 38 -0.774 -1.923 -10.266 1.00 0.00 C ATOM 443 C THR A 38 -2.252 -2.291 -10.409 1.00 0.00 C ATOM 444 O THR A 38 -2.797 -3.053 -9.638 1.00 0.00 O ATOM 445 CB THR A 38 0.068 -3.183 -10.049 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.194 -3.714 -8.754 1.00 0.00 O ATOM 447 CG2 THR A 38 1.553 -2.829 -10.166 1.00 0.00 C ATOM 0 H THR A 38 -1.320 -1.077 -8.391 1.00 0.00 H new ATOM 0 HA THR A 38 -0.446 -1.428 -11.180 1.00 0.00 H new ATOM 0 HB THR A 38 -0.189 -3.927 -10.803 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.370 -2.980 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.154 -3.725 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.753 -2.424 -11.158 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.810 -2.085 -9.412 1.00 0.00 H new ATOM 455 N ASN A 39 -2.895 -1.736 -11.399 1.00 0.00 N ATOM 456 CA ASN A 39 -4.346 -2.010 -11.641 1.00 0.00 C ATOM 457 C ASN A 39 -4.600 -3.519 -11.644 1.00 0.00 C ATOM 458 O ASN A 39 -4.622 -4.158 -10.613 1.00 0.00 O ATOM 459 CB ASN A 39 -4.760 -1.436 -13.007 1.00 0.00 C ATOM 460 CG ASN A 39 -4.659 0.092 -12.986 1.00 0.00 C ATOM 461 OD1 ASN A 39 -4.624 0.723 -14.024 1.00 0.00 O ATOM 462 ND2 ASN A 39 -4.609 0.716 -11.843 1.00 0.00 N ATOM 0 H ASN A 39 -2.470 -1.091 -12.065 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.928 -1.542 -10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.118 -1.840 -13.790 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.780 -1.738 -13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.541 1.733 -11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.638 0.187 -10.971 1.00 0.00 H new ATOM 469 N GLU A 40 -4.800 -4.079 -12.804 1.00 0.00 N ATOM 470 CA GLU A 40 -5.061 -5.540 -12.918 1.00 0.00 C ATOM 471 C GLU A 40 -6.258 -5.934 -12.056 1.00 0.00 C ATOM 472 O GLU A 40 -6.213 -5.876 -10.843 1.00 0.00 O ATOM 473 CB GLU A 40 -3.822 -6.322 -12.482 1.00 0.00 C ATOM 474 CG GLU A 40 -4.070 -7.821 -12.679 1.00 0.00 C ATOM 475 CD GLU A 40 -2.817 -8.608 -12.291 1.00 0.00 C ATOM 476 OE1 GLU A 40 -1.772 -7.993 -12.159 1.00 0.00 O ATOM 477 OE2 GLU A 40 -2.924 -9.812 -12.132 1.00 0.00 O ATOM 0 H GLU A 40 -4.793 -3.577 -13.692 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.287 -5.778 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.956 -6.006 -13.064 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.597 -6.114 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.915 -8.142 -12.071 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.330 -8.023 -13.718 1.00 0.00 H new ATOM 484 N GLU A 41 -7.321 -6.349 -12.690 1.00 0.00 N ATOM 485 CA GLU A 41 -8.547 -6.776 -11.958 1.00 0.00 C ATOM 486 C GLU A 41 -9.348 -5.562 -11.512 1.00 0.00 C ATOM 487 O GLU A 41 -8.802 -4.559 -11.100 1.00 0.00 O ATOM 488 CB GLU A 41 -8.164 -7.631 -10.739 1.00 0.00 C ATOM 489 CG GLU A 41 -9.292 -8.622 -10.416 1.00 0.00 C ATOM 490 CD GLU A 41 -10.563 -7.859 -10.024 1.00 0.00 C ATOM 491 OE1 GLU A 41 -10.441 -6.795 -9.439 1.00 0.00 O ATOM 492 OE2 GLU A 41 -11.638 -8.358 -10.314 1.00 0.00 O ATOM 0 H GLU A 41 -7.392 -6.411 -13.706 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.163 -7.373 -12.630 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.240 -8.173 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.976 -6.989 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.490 -9.255 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.987 -9.280 -9.602 1.00 0.00 H new ATOM 499 N PHE A 42 -10.648 -5.658 -11.592 1.00 0.00 N ATOM 500 CA PHE A 42 -11.529 -4.527 -11.178 1.00 0.00 C ATOM 501 C PHE A 42 -12.689 -5.040 -10.332 1.00 0.00 C ATOM 502 O PHE A 42 -13.129 -6.167 -10.462 1.00 0.00 O ATOM 503 CB PHE A 42 -12.076 -3.824 -12.416 1.00 0.00 C ATOM 504 CG PHE A 42 -10.942 -3.151 -13.153 1.00 0.00 C ATOM 505 CD1 PHE A 42 -10.551 -1.854 -12.798 1.00 0.00 C ATOM 506 CD2 PHE A 42 -10.285 -3.820 -14.191 1.00 0.00 C ATOM 507 CE1 PHE A 42 -9.502 -1.229 -13.479 1.00 0.00 C ATOM 508 CE2 PHE A 42 -9.236 -3.194 -14.873 1.00 0.00 C ATOM 509 CZ PHE A 42 -8.844 -1.899 -14.518 1.00 0.00 C ATOM 0 H PHE A 42 -11.143 -6.483 -11.931 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.942 -3.825 -10.586 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.571 -4.544 -13.068 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.825 -3.087 -12.128 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.060 -1.337 -11.998 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.587 -4.820 -14.466 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.199 -0.230 -13.204 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.729 -3.711 -15.674 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.034 -1.416 -15.045 1.00 0.00 H new ATOM 519 N ASN A 43 -13.183 -4.200 -9.464 1.00 0.00 N ATOM 520 CA ASN A 43 -14.312 -4.589 -8.583 1.00 0.00 C ATOM 521 C ASN A 43 -15.599 -4.664 -9.411 1.00 0.00 C ATOM 522 O ASN A 43 -15.710 -4.052 -10.455 1.00 0.00 O ATOM 523 CB ASN A 43 -14.464 -3.531 -7.464 1.00 0.00 C ATOM 524 CG ASN A 43 -13.727 -3.998 -6.204 1.00 0.00 C ATOM 525 OD1 ASN A 43 -14.056 -3.587 -5.107 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.746 -4.849 -6.316 1.00 0.00 N ATOM 0 H ASN A 43 -12.845 -3.247 -9.329 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.119 -5.564 -8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.062 -2.575 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.519 -3.373 -7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.253 -5.171 -5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.471 -5.193 -7.236 1.00 0.00 H new ATOM 533 N PRO A 44 -16.566 -5.413 -8.938 1.00 0.00 N ATOM 534 CA PRO A 44 -17.869 -5.580 -9.630 1.00 0.00 C ATOM 535 C PRO A 44 -18.350 -4.292 -10.294 1.00 0.00 C ATOM 536 O PRO A 44 -18.429 -4.197 -11.500 1.00 0.00 O ATOM 537 CB PRO A 44 -18.814 -5.982 -8.495 1.00 0.00 C ATOM 538 CG PRO A 44 -17.954 -6.728 -7.521 1.00 0.00 C ATOM 539 CD PRO A 44 -16.527 -6.181 -7.678 1.00 0.00 C ATOM 0 HA PRO A 44 -17.811 -6.307 -10.440 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.268 -5.107 -8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.628 -6.607 -8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.312 -6.586 -6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.982 -7.799 -7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.249 -5.548 -6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.795 -6.987 -7.726 1.00 0.00 H new ATOM 547 N ILE A 45 -18.672 -3.303 -9.504 1.00 0.00 N ATOM 548 CA ILE A 45 -19.157 -2.006 -10.060 1.00 0.00 C ATOM 549 C ILE A 45 -18.064 -0.956 -9.879 1.00 0.00 C ATOM 550 O ILE A 45 -17.981 -0.003 -10.626 1.00 0.00 O ATOM 551 CB ILE A 45 -20.421 -1.575 -9.304 1.00 0.00 C ATOM 552 CG1 ILE A 45 -21.412 -2.748 -9.263 1.00 0.00 C ATOM 553 CG2 ILE A 45 -21.066 -0.392 -10.027 1.00 0.00 C ATOM 554 CD1 ILE A 45 -21.659 -3.278 -10.682 1.00 0.00 C ATOM 0 H ILE A 45 -18.619 -3.339 -8.486 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.391 -2.113 -11.119 1.00 0.00 H new ATOM 0 HB ILE A 45 -20.158 -1.282 -8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -21.019 -3.545 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -22.353 -2.424 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -21.964 -0.084 -9.492 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -20.362 0.440 -10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -21.332 -0.687 -11.042 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -22.363 -4.109 -10.642 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -22.072 -2.482 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -20.717 -3.620 -11.112 1.00 0.00 H new ATOM 566 N GLY A 46 -17.226 -1.129 -8.892 1.00 0.00 N ATOM 567 CA GLY A 46 -16.129 -0.149 -8.639 1.00 0.00 C ATOM 568 C GLY A 46 -14.851 -0.614 -9.320 1.00 0.00 C ATOM 569 O GLY A 46 -14.873 -1.429 -10.221 1.00 0.00 O ATOM 0 H GLY A 46 -17.255 -1.916 -8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.414 0.834 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.963 -0.045 -7.567 1.00 0.00 H new ATOM 573 N ILE A 47 -13.733 -0.094 -8.883 1.00 0.00 N ATOM 574 CA ILE A 47 -12.418 -0.477 -9.479 1.00 0.00 C ATOM 575 C ILE A 47 -11.520 -1.076 -8.406 1.00 0.00 C ATOM 576 O ILE A 47 -11.560 -0.694 -7.255 1.00 0.00 O ATOM 577 CB ILE A 47 -11.750 0.759 -10.091 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.576 1.853 -9.026 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.615 1.291 -11.235 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.770 3.015 -9.614 1.00 0.00 C ATOM 0 H ILE A 47 -13.675 0.589 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.579 -1.219 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.768 0.479 -10.472 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.551 2.206 -8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.065 1.447 -8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.141 2.170 -11.671 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.723 0.520 -11.998 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.599 1.562 -10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.647 3.791 -8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.790 2.656 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.299 3.426 -10.474 1.00 0.00 H new ATOM 592 N SER A 48 -10.709 -2.022 -8.795 1.00 0.00 N ATOM 593 CA SER A 48 -9.784 -2.690 -7.833 1.00 0.00 C ATOM 594 C SER A 48 -8.349 -2.308 -8.159 1.00 0.00 C ATOM 595 O SER A 48 -7.900 -2.423 -9.282 1.00 0.00 O ATOM 596 CB SER A 48 -9.949 -4.205 -7.941 1.00 0.00 C ATOM 597 OG SER A 48 -9.288 -4.818 -6.845 1.00 0.00 O ATOM 0 H SER A 48 -10.647 -2.366 -9.753 1.00 0.00 H new ATOM 0 HA SER A 48 -10.020 -2.370 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.006 -4.470 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.531 -4.564 -8.882 1.00 0.00 H new ATOM 0 HG SER A 48 -9.390 -5.791 -6.904 1.00 0.00 H new ATOM 603 N ILE A 49 -7.629 -1.852 -7.170 1.00 0.00 N ATOM 604 CA ILE A 49 -6.207 -1.445 -7.373 1.00 0.00 C ATOM 605 C ILE A 49 -5.291 -2.361 -6.576 1.00 0.00 C ATOM 606 O ILE A 49 -5.456 -2.551 -5.386 1.00 0.00 O ATOM 607 CB ILE A 49 -6.015 0.000 -6.912 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.840 0.928 -7.808 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.533 0.369 -7.017 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.850 2.341 -7.221 1.00 0.00 C ATOM 0 H ILE A 49 -7.971 -1.742 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.960 -1.522 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.344 0.106 -5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.420 0.945 -8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.860 0.553 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.390 1.399 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.946 -0.298 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.206 0.269 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.438 2.997 -7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.290 2.318 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.828 2.716 -7.158 1.00 0.00 H new ATOM 622 N ASP A 50 -4.319 -2.924 -7.240 1.00 0.00 N ATOM 623 CA ASP A 50 -3.353 -3.842 -6.572 1.00 0.00 C ATOM 624 C ASP A 50 -1.965 -3.214 -6.572 1.00 0.00 C ATOM 625 O ASP A 50 -1.631 -2.397 -7.407 1.00 0.00 O ATOM 626 CB ASP A 50 -3.308 -5.168 -7.334 1.00 0.00 C ATOM 627 CG ASP A 50 -2.493 -6.184 -6.531 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.023 -5.827 -5.464 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.351 -7.303 -6.996 1.00 0.00 O ATOM 0 H ASP A 50 -4.151 -2.784 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.671 -4.017 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.319 -5.542 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.861 -5.021 -8.317 1.00 0.00 H new ATOM 634 N GLY A 51 -1.157 -3.596 -5.625 1.00 0.00 N ATOM 635 CA GLY A 51 0.223 -3.041 -5.536 1.00 0.00 C ATOM 636 C GLY A 51 0.962 -3.659 -4.348 1.00 0.00 C ATOM 637 O GLY A 51 0.467 -4.546 -3.677 1.00 0.00 O ATOM 0 H GLY A 51 -1.395 -4.275 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.766 -3.246 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.181 -1.958 -5.425 1.00 0.00 H new ATOM 641 N TYR A 52 2.152 -3.188 -4.097 1.00 0.00 N ATOM 642 CA TYR A 52 2.968 -3.719 -2.963 1.00 0.00 C ATOM 643 C TYR A 52 3.883 -2.631 -2.410 1.00 0.00 C ATOM 644 O TYR A 52 4.077 -1.592 -3.012 1.00 0.00 O ATOM 645 CB TYR A 52 3.812 -4.900 -3.444 1.00 0.00 C ATOM 646 CG TYR A 52 4.434 -4.579 -4.783 1.00 0.00 C ATOM 647 CD1 TYR A 52 3.663 -4.675 -5.949 1.00 0.00 C ATOM 648 CD2 TYR A 52 5.779 -4.200 -4.864 1.00 0.00 C ATOM 649 CE1 TYR A 52 4.237 -4.388 -7.194 1.00 0.00 C ATOM 650 CE2 TYR A 52 6.352 -3.916 -6.110 1.00 0.00 C ATOM 651 CZ TYR A 52 5.582 -4.011 -7.274 1.00 0.00 C ATOM 652 OH TYR A 52 6.150 -3.733 -8.501 1.00 0.00 O ATOM 0 H TYR A 52 2.602 -2.448 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 52 2.294 -4.049 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.592 -5.121 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.191 -5.792 -3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.626 -4.970 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.375 -4.127 -3.966 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.641 -4.458 -8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.390 -3.623 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 52 7.090 -3.486 -8.378 1.00 0.00 H new ATOM 662 N ILE A 53 4.441 -2.877 -1.249 1.00 0.00 N ATOM 663 CA ILE A 53 5.349 -1.878 -0.600 1.00 0.00 C ATOM 664 C ILE A 53 6.751 -2.458 -0.413 1.00 0.00 C ATOM 665 O ILE A 53 6.953 -3.655 -0.397 1.00 0.00 O ATOM 666 CB ILE A 53 4.780 -1.495 0.774 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.639 -2.744 1.659 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.409 -0.839 0.596 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.195 -2.328 3.063 1.00 0.00 C ATOM 0 H ILE A 53 4.305 -3.737 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 53 5.415 -1.000 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 53 5.463 -0.795 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.912 -3.430 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.589 -3.276 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.006 -0.568 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.511 0.057 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.732 -1.538 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.095 -3.214 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.938 -1.658 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.235 -1.815 3.004 1.00 0.00 H new ATOM 681 N ASN A 54 7.713 -1.587 -0.268 1.00 0.00 N ATOM 682 CA ASN A 54 9.128 -2.012 -0.067 1.00 0.00 C ATOM 683 C ASN A 54 9.579 -2.908 -1.221 1.00 0.00 C ATOM 684 O ASN A 54 10.323 -3.848 -1.032 1.00 0.00 O ATOM 685 CB ASN A 54 9.260 -2.749 1.266 1.00 0.00 C ATOM 686 CG ASN A 54 9.118 -1.749 2.418 1.00 0.00 C ATOM 687 OD1 ASN A 54 10.050 -1.037 2.738 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.984 -1.660 3.055 1.00 0.00 N ATOM 0 H ASN A 54 7.574 -0.577 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 54 9.768 -1.130 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.495 -3.521 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.226 -3.251 1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.880 -0.994 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.201 -2.257 2.788 1.00 0.00 H new ATOM 695 N ASN A 55 9.126 -2.602 -2.410 1.00 0.00 N ATOM 696 CA ASN A 55 9.497 -3.390 -3.626 1.00 0.00 C ATOM 697 C ASN A 55 9.401 -4.886 -3.344 1.00 0.00 C ATOM 698 O ASN A 55 10.017 -5.691 -4.013 1.00 0.00 O ATOM 699 CB ASN A 55 10.919 -3.024 -4.082 1.00 0.00 C ATOM 700 CG ASN A 55 11.942 -3.334 -2.987 1.00 0.00 C ATOM 701 OD1 ASN A 55 12.018 -4.447 -2.504 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.747 -2.390 -2.578 1.00 0.00 N ATOM 0 H ASN A 55 8.499 -1.819 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 55 8.798 -3.144 -4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.169 -3.579 -4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.962 -1.965 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.438 -2.587 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.684 -1.456 -2.982 1.00 0.00 H new ATOM 709 N ASP A 56 8.617 -5.260 -2.369 1.00 0.00 N ATOM 710 CA ASP A 56 8.455 -6.709 -2.026 1.00 0.00 C ATOM 711 C ASP A 56 7.094 -7.207 -2.509 1.00 0.00 C ATOM 712 O ASP A 56 6.056 -6.802 -2.021 1.00 0.00 O ATOM 713 CB ASP A 56 8.568 -6.889 -0.512 1.00 0.00 C ATOM 714 CG ASP A 56 10.026 -6.695 -0.080 1.00 0.00 C ATOM 715 OD1 ASP A 56 10.887 -6.703 -0.945 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.253 -6.543 1.108 1.00 0.00 O ATOM 0 H ASP A 56 8.075 -4.620 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 56 9.238 -7.287 -2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.928 -6.170 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.222 -7.883 -0.227 1.00 0.00 H new ATOM 721 N LYS A 57 7.108 -8.097 -3.459 1.00 0.00 N ATOM 722 CA LYS A 57 5.844 -8.657 -4.011 1.00 0.00 C ATOM 723 C LYS A 57 5.061 -9.353 -2.900 1.00 0.00 C ATOM 724 O LYS A 57 3.847 -9.406 -2.926 1.00 0.00 O ATOM 725 CB LYS A 57 6.176 -9.678 -5.108 1.00 0.00 C ATOM 726 CG LYS A 57 6.757 -8.954 -6.326 1.00 0.00 C ATOM 727 CD LYS A 57 7.082 -9.974 -7.424 1.00 0.00 C ATOM 728 CE LYS A 57 7.659 -9.250 -8.644 1.00 0.00 C ATOM 729 NZ LYS A 57 7.994 -10.247 -9.700 1.00 0.00 N ATOM 0 H LYS A 57 7.958 -8.467 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 57 5.244 -7.848 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.891 -10.410 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.278 -10.226 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.044 -8.218 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.658 -8.410 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.797 -10.708 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.182 -10.520 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.938 -8.528 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.551 -8.691 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.386 -9.756 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.696 -10.920 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.134 -10.762 -9.977 1.00 0.00 H new ATOM 743 N ASN A 58 5.747 -9.897 -1.934 1.00 0.00 N ATOM 744 CA ASN A 58 5.057 -10.605 -0.819 1.00 0.00 C ATOM 745 C ASN A 58 4.168 -9.618 -0.065 1.00 0.00 C ATOM 746 O ASN A 58 3.077 -9.952 0.357 1.00 0.00 O ATOM 747 CB ASN A 58 6.098 -11.184 0.149 1.00 0.00 C ATOM 748 CG ASN A 58 6.839 -12.342 -0.519 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.258 -13.378 -0.784 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.106 -12.216 -0.804 1.00 0.00 N ATOM 0 H ASN A 58 6.765 -9.881 -1.868 1.00 0.00 H new ATOM 0 HA ASN A 58 4.450 -11.413 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.806 -10.409 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.609 -11.530 1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.608 -12.985 -1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.595 -11.348 -0.583 1.00 0.00 H new ATOM 757 N LEU A 59 4.633 -8.408 0.112 1.00 0.00 N ATOM 758 CA LEU A 59 3.829 -7.389 0.848 1.00 0.00 C ATOM 759 C LEU A 59 2.839 -6.748 -0.123 1.00 0.00 C ATOM 760 O LEU A 59 2.900 -5.563 -0.404 1.00 0.00 O ATOM 761 CB LEU A 59 4.764 -6.312 1.419 1.00 0.00 C ATOM 762 CG LEU A 59 5.914 -6.971 2.190 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.739 -5.892 2.897 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.352 -7.950 3.227 1.00 0.00 C ATOM 0 H LEU A 59 5.539 -8.081 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 59 3.289 -7.863 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.162 -5.698 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.206 -5.647 2.079 1.00 0.00 H new ATOM 0 HG LEU A 59 6.549 -7.516 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.557 -6.360 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.146 -5.202 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.103 -5.345 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.174 -8.415 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.712 -7.412 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.770 -8.721 2.722 1.00 0.00 H new ATOM 776 N SER A 60 1.935 -7.537 -0.640 1.00 0.00 N ATOM 777 CA SER A 60 0.927 -7.017 -1.607 1.00 0.00 C ATOM 778 C SER A 60 -0.317 -6.514 -0.881 1.00 0.00 C ATOM 779 O SER A 60 -0.589 -6.861 0.257 1.00 0.00 O ATOM 780 CB SER A 60 0.529 -8.136 -2.570 1.00 0.00 C ATOM 781 OG SER A 60 -0.435 -8.977 -1.949 1.00 0.00 O ATOM 0 H SER A 60 1.852 -8.532 -0.430 1.00 0.00 H new ATOM 0 HA SER A 60 1.369 -6.185 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.120 -7.712 -3.487 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.407 -8.718 -2.851 1.00 0.00 H new ATOM 0 HG SER A 60 -0.691 -9.693 -2.567 1.00 0.00 H new ATOM 787 N PHE A 61 -1.079 -5.700 -1.564 1.00 0.00 N ATOM 788 CA PHE A 61 -2.332 -5.146 -0.981 1.00 0.00 C ATOM 789 C PHE A 61 -3.325 -4.848 -2.100 1.00 0.00 C ATOM 790 O PHE A 61 -2.951 -4.554 -3.224 1.00 0.00 O ATOM 791 CB PHE A 61 -2.025 -3.859 -0.207 1.00 0.00 C ATOM 792 CG PHE A 61 -1.517 -2.782 -1.142 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.423 -1.938 -1.801 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.140 -2.616 -1.339 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.952 -0.933 -2.657 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.330 -1.610 -2.194 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.575 -0.768 -2.853 1.00 0.00 C ATOM 0 H PHE A 61 -0.881 -5.392 -2.516 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.763 -5.877 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.924 -3.511 0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.280 -4.060 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.485 -2.063 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.560 -3.264 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.651 -0.286 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.392 -1.484 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.212 0.007 -3.511 1.00 0.00 H new ATOM 807 N THR A 62 -4.594 -4.927 -1.793 1.00 0.00 N ATOM 808 CA THR A 62 -5.648 -4.659 -2.818 1.00 0.00 C ATOM 809 C THR A 62 -6.731 -3.763 -2.232 1.00 0.00 C ATOM 810 O THR A 62 -7.210 -3.977 -1.138 1.00 0.00 O ATOM 811 CB THR A 62 -6.261 -5.980 -3.274 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.234 -6.819 -3.785 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.295 -5.709 -4.365 1.00 0.00 C ATOM 0 H THR A 62 -4.949 -5.168 -0.867 1.00 0.00 H new ATOM 0 HA THR A 62 -5.197 -4.154 -3.672 1.00 0.00 H new ATOM 0 HB THR A 62 -6.747 -6.472 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.622 -7.670 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.734 -6.651 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.078 -5.061 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.812 -5.221 -5.211 1.00 0.00 H new ATOM 821 N ALA A 63 -7.121 -2.761 -2.976 1.00 0.00 N ATOM 822 CA ALA A 63 -8.182 -1.815 -2.511 1.00 0.00 C ATOM 823 C ALA A 63 -9.320 -1.785 -3.526 1.00 0.00 C ATOM 824 O ALA A 63 -9.111 -1.735 -4.723 1.00 0.00 O ATOM 825 CB ALA A 63 -7.585 -0.415 -2.372 1.00 0.00 C ATOM 0 H ALA A 63 -6.744 -2.554 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.568 -2.145 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.356 0.277 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.772 -0.437 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.201 -0.086 -3.337 1.00 0.00 H new ATOM 831 N GLY A 64 -10.532 -1.825 -3.037 1.00 0.00 N ATOM 832 CA GLY A 64 -11.730 -1.812 -3.933 1.00 0.00 C ATOM 833 C GLY A 64 -12.325 -0.407 -3.988 1.00 0.00 C ATOM 834 O GLY A 64 -13.204 -0.063 -3.223 1.00 0.00 O ATOM 0 H GLY A 64 -10.747 -1.867 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.449 -2.136 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.476 -2.518 -3.567 1.00 0.00 H new ATOM 838 N LYS A 65 -11.852 0.388 -4.910 1.00 0.00 N ATOM 839 CA LYS A 65 -12.360 1.779 -5.082 1.00 0.00 C ATOM 840 C LYS A 65 -12.185 2.571 -3.785 1.00 0.00 C ATOM 841 O LYS A 65 -11.349 3.445 -3.695 1.00 0.00 O ATOM 842 CB LYS A 65 -13.843 1.741 -5.465 1.00 0.00 C ATOM 843 CG LYS A 65 -14.334 3.163 -5.755 1.00 0.00 C ATOM 844 CD LYS A 65 -15.800 3.122 -6.202 1.00 0.00 C ATOM 845 CE LYS A 65 -16.286 4.542 -6.507 1.00 0.00 C ATOM 846 NZ LYS A 65 -16.325 5.335 -5.246 1.00 0.00 N ATOM 0 H LYS A 65 -11.117 0.124 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.791 2.267 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.987 1.110 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.427 1.301 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.233 3.782 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.720 3.619 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.903 2.494 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.416 2.676 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.622 5.018 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.277 4.509 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.925 6.173 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.715 4.750 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.362 5.636 -4.995 1.00 0.00 H new ATOM 860 N ASP A 66 -12.973 2.272 -2.787 1.00 0.00 N ATOM 861 CA ASP A 66 -12.875 3.006 -1.489 1.00 0.00 C ATOM 862 C ASP A 66 -11.871 2.314 -0.565 1.00 0.00 C ATOM 863 O ASP A 66 -11.920 1.115 -0.343 1.00 0.00 O ATOM 864 CB ASP A 66 -14.253 3.050 -0.822 1.00 0.00 C ATOM 865 CG ASP A 66 -15.154 4.039 -1.569 1.00 0.00 C ATOM 866 OD1 ASP A 66 -14.633 4.807 -2.359 1.00 0.00 O ATOM 867 OD2 ASP A 66 -16.351 4.012 -1.332 1.00 0.00 O ATOM 0 H ASP A 66 -13.687 1.544 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.531 4.023 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.703 2.057 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.154 3.349 0.221 1.00 0.00 H new ATOM 872 N VAL A 67 -10.959 3.082 -0.024 1.00 0.00 N ATOM 873 CA VAL A 67 -9.925 2.521 0.889 1.00 0.00 C ATOM 874 C VAL A 67 -10.613 1.936 2.124 1.00 0.00 C ATOM 875 O VAL A 67 -9.974 1.397 3.007 1.00 0.00 O ATOM 876 CB VAL A 67 -8.951 3.632 1.317 1.00 0.00 C ATOM 877 CG1 VAL A 67 -7.839 3.031 2.187 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.329 4.281 0.072 1.00 0.00 C ATOM 0 H VAL A 67 -10.889 4.087 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.367 1.739 0.374 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.493 4.387 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.149 3.818 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.278 2.572 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.299 2.275 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.639 5.068 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.788 3.527 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.117 4.710 -0.547 1.00 0.00 H new ATOM 888 N LYS A 68 -11.911 2.035 2.178 1.00 0.00 N ATOM 889 CA LYS A 68 -12.674 1.490 3.335 1.00 0.00 C ATOM 890 C LYS A 68 -12.480 -0.022 3.393 1.00 0.00 C ATOM 891 O LYS A 68 -12.300 -0.593 4.451 1.00 0.00 O ATOM 892 CB LYS A 68 -14.161 1.805 3.148 1.00 0.00 C ATOM 893 CG LYS A 68 -14.941 1.348 4.380 1.00 0.00 C ATOM 894 CD LYS A 68 -16.412 1.745 4.234 1.00 0.00 C ATOM 895 CE LYS A 68 -17.183 1.317 5.483 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.222 -0.172 5.556 1.00 0.00 N ATOM 0 H LYS A 68 -12.484 2.477 1.459 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.318 1.941 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.300 2.875 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.540 1.303 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.855 0.268 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.519 1.800 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.496 2.823 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.841 1.273 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.706 1.723 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.196 1.717 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.207 -0.489 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.821 -0.573 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.665 -0.494 6.373 1.00 0.00 H new ATOM 910 N ILE A 69 -12.513 -0.666 2.256 1.00 0.00 N ATOM 911 CA ILE A 69 -12.329 -2.150 2.204 1.00 0.00 C ATOM 912 C ILE A 69 -11.077 -2.464 1.394 1.00 0.00 C ATOM 913 O ILE A 69 -11.022 -2.264 0.191 1.00 0.00 O ATOM 914 CB ILE A 69 -13.557 -2.788 1.546 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.786 -2.525 2.423 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.343 -4.296 1.407 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.055 -2.928 1.668 1.00 0.00 C ATOM 0 H ILE A 69 -12.661 -0.223 1.349 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.217 -2.552 3.211 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.708 -2.356 0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.709 -3.090 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.832 -1.470 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.218 -4.746 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.464 -4.483 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.193 -4.735 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.927 -2.740 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.134 -2.344 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -16.009 -3.988 1.419 1.00 0.00 H new ATOM 929 N PHE A 70 -10.063 -2.954 2.058 1.00 0.00 N ATOM 930 CA PHE A 70 -8.787 -3.290 1.366 1.00 0.00 C ATOM 931 C PHE A 70 -8.202 -4.583 1.930 1.00 0.00 C ATOM 932 O PHE A 70 -8.006 -4.730 3.120 1.00 0.00 O ATOM 933 CB PHE A 70 -7.793 -2.143 1.551 1.00 0.00 C ATOM 934 CG PHE A 70 -7.442 -1.992 3.014 1.00 0.00 C ATOM 935 CD1 PHE A 70 -8.273 -1.248 3.862 1.00 0.00 C ATOM 936 CD2 PHE A 70 -6.279 -2.585 3.520 1.00 0.00 C ATOM 937 CE1 PHE A 70 -7.942 -1.101 5.215 1.00 0.00 C ATOM 938 CE2 PHE A 70 -5.948 -2.437 4.874 1.00 0.00 C ATOM 939 CZ PHE A 70 -6.780 -1.695 5.721 1.00 0.00 C ATOM 0 H PHE A 70 -10.066 -3.137 3.061 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.984 -3.434 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.891 -2.336 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.222 -1.215 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.169 -0.788 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.637 -3.157 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.584 -0.529 5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.051 -2.895 5.264 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.525 -1.581 6.764 1.00 0.00 H new ATOM 949 N SER A 71 -7.914 -5.513 1.062 1.00 0.00 N ATOM 950 CA SER A 71 -7.328 -6.812 1.495 1.00 0.00 C ATOM 951 C SER A 71 -5.818 -6.667 1.639 1.00 0.00 C ATOM 952 O SER A 71 -5.231 -5.687 1.221 1.00 0.00 O ATOM 953 CB SER A 71 -7.645 -7.890 0.452 1.00 0.00 C ATOM 954 OG SER A 71 -6.669 -7.857 -0.580 1.00 0.00 O ATOM 0 H SER A 71 -8.062 -5.426 0.057 1.00 0.00 H new ATOM 0 HA SER A 71 -7.756 -7.101 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.658 -8.873 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.638 -7.724 0.033 1.00 0.00 H new ATOM 0 HG SER A 71 -6.872 -8.548 -1.245 1.00 0.00 H new ATOM 960 N SER A 72 -5.188 -7.641 2.233 1.00 0.00 N ATOM 961 CA SER A 72 -3.712 -7.584 2.428 1.00 0.00 C ATOM 962 C SER A 72 -3.122 -8.990 2.496 1.00 0.00 C ATOM 963 O SER A 72 -3.791 -9.952 2.824 1.00 0.00 O ATOM 964 CB SER A 72 -3.408 -6.838 3.728 1.00 0.00 C ATOM 965 OG SER A 72 -4.213 -7.364 4.775 1.00 0.00 O ATOM 0 H SER A 72 -5.637 -8.482 2.595 1.00 0.00 H new ATOM 0 HA SER A 72 -3.263 -7.062 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.352 -6.940 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.605 -5.773 3.603 1.00 0.00 H new ATOM 0 HG SER A 72 -4.018 -6.888 5.609 1.00 0.00 H new ATOM 971 N SER A 73 -1.858 -9.098 2.178 1.00 0.00 N ATOM 972 CA SER A 73 -1.166 -10.418 2.196 1.00 0.00 C ATOM 973 C SER A 73 -0.867 -10.845 3.633 1.00 0.00 C ATOM 974 O SER A 73 -0.954 -10.068 4.561 1.00 0.00 O ATOM 975 CB SER A 73 0.143 -10.309 1.412 1.00 0.00 C ATOM 976 OG SER A 73 0.882 -9.186 1.873 1.00 0.00 O ATOM 0 H SER A 73 -1.268 -8.313 1.902 1.00 0.00 H new ATOM 0 HA SER A 73 -1.814 -11.165 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.730 -11.219 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.066 -10.207 0.347 1.00 0.00 H new ATOM 0 HG SER A 73 1.781 -9.204 1.483 1.00 0.00 H new ATOM 982 N GLU A 74 -0.524 -12.093 3.805 1.00 0.00 N ATOM 983 CA GLU A 74 -0.225 -12.631 5.162 1.00 0.00 C ATOM 984 C GLU A 74 0.974 -11.894 5.759 1.00 0.00 C ATOM 985 O GLU A 74 0.968 -11.522 6.916 1.00 0.00 O ATOM 986 CB GLU A 74 0.119 -14.122 5.044 1.00 0.00 C ATOM 987 CG GLU A 74 -1.098 -14.896 4.529 1.00 0.00 C ATOM 988 CD GLU A 74 -2.223 -14.832 5.563 1.00 0.00 C ATOM 989 OE1 GLU A 74 -1.929 -14.552 6.713 1.00 0.00 O ATOM 990 OE2 GLU A 74 -3.359 -15.065 5.187 1.00 0.00 O ATOM 0 H GLU A 74 -0.437 -12.773 3.050 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.094 -12.493 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.961 -14.258 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.425 -14.512 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.436 -14.474 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.826 -15.934 4.336 1.00 0.00 H new ATOM 997 N GLU A 75 1.996 -11.689 4.978 1.00 0.00 N ATOM 998 CA GLU A 75 3.210 -10.982 5.480 1.00 0.00 C ATOM 999 C GLU A 75 2.886 -9.508 5.731 1.00 0.00 C ATOM 1000 O GLU A 75 3.346 -8.909 6.689 1.00 0.00 O ATOM 1001 CB GLU A 75 4.323 -11.076 4.424 1.00 0.00 C ATOM 1002 CG GLU A 75 4.840 -12.521 4.315 1.00 0.00 C ATOM 1003 CD GLU A 75 3.932 -13.343 3.395 1.00 0.00 C ATOM 1004 OE1 GLU A 75 2.921 -12.816 2.960 1.00 0.00 O ATOM 1005 OE2 GLU A 75 4.268 -14.486 3.138 1.00 0.00 O ATOM 0 H GLU A 75 2.044 -11.984 4.003 1.00 0.00 H new ATOM 0 HA GLU A 75 3.536 -11.446 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.944 -10.745 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.143 -10.409 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.859 -12.522 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.876 -12.977 5.304 1.00 0.00 H new ATOM 1012 N LEU A 76 2.104 -8.923 4.867 1.00 0.00 N ATOM 1013 CA LEU A 76 1.737 -7.489 5.018 1.00 0.00 C ATOM 1014 C LEU A 76 0.960 -7.295 6.321 1.00 0.00 C ATOM 1015 O LEU A 76 1.078 -6.279 6.978 1.00 0.00 O ATOM 1016 CB LEU A 76 0.877 -7.060 3.820 1.00 0.00 C ATOM 1017 CG LEU A 76 0.408 -5.609 3.993 1.00 0.00 C ATOM 1018 CD1 LEU A 76 1.616 -4.686 4.218 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.340 -5.166 2.728 1.00 0.00 C ATOM 0 H LEU A 76 1.699 -9.385 4.053 1.00 0.00 H new ATOM 0 HA LEU A 76 2.638 -6.877 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.451 -7.156 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.014 -7.720 3.728 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.253 -5.547 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.272 -3.659 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.150 -4.998 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.284 -4.745 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.675 -4.136 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.327 -5.235 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.203 -5.813 2.570 1.00 0.00 H new ATOM 1031 N ASP A 77 0.168 -8.264 6.685 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.627 -8.166 7.940 1.00 0.00 C ATOM 1033 C ASP A 77 0.335 -8.057 9.128 1.00 0.00 C ATOM 1034 O ASP A 77 0.049 -7.420 10.122 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.486 -9.431 8.089 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.512 -9.234 9.208 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -3.444 -8.473 9.003 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.351 -9.849 10.250 1.00 0.00 O ATOM 0 H ASP A 77 0.036 -9.129 6.161 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.273 -7.289 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.996 -9.648 7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.851 -10.288 8.312 1.00 0.00 H new ATOM 1043 N LYS A 78 1.466 -8.695 9.030 1.00 0.00 N ATOM 1044 CA LYS A 78 2.467 -8.652 10.135 1.00 0.00 C ATOM 1045 C LYS A 78 3.142 -7.279 10.172 1.00 0.00 C ATOM 1046 O LYS A 78 3.444 -6.758 11.228 1.00 0.00 O ATOM 1047 CB LYS A 78 3.533 -9.725 9.891 1.00 0.00 C ATOM 1048 CG LYS A 78 2.863 -11.091 9.700 1.00 0.00 C ATOM 1049 CD LYS A 78 2.149 -11.507 10.990 1.00 0.00 C ATOM 1050 CE LYS A 78 1.853 -13.004 10.955 1.00 0.00 C ATOM 1051 NZ LYS A 78 1.218 -13.409 12.242 1.00 0.00 N ATOM 0 H LYS A 78 1.745 -9.252 8.222 1.00 0.00 H new ATOM 0 HA LYS A 78 1.962 -8.834 11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.121 -9.472 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.223 -9.763 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.149 -11.044 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.610 -11.838 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.770 -11.270 11.854 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.221 -10.946 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.192 -13.237 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.774 -13.565 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.014 -14.429 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.865 -13.200 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.331 -12.881 12.373 1.00 0.00 H new ATOM 1065 N MET A 79 3.409 -6.710 9.027 1.00 0.00 N ATOM 1066 CA MET A 79 4.095 -5.381 8.988 1.00 0.00 C ATOM 1067 C MET A 79 3.196 -4.296 9.578 1.00 0.00 C ATOM 1068 O MET A 79 3.514 -3.697 10.586 1.00 0.00 O ATOM 1069 CB MET A 79 4.422 -5.016 7.532 1.00 0.00 C ATOM 1070 CG MET A 79 5.588 -5.869 7.027 1.00 0.00 C ATOM 1071 SD MET A 79 7.100 -5.419 7.918 1.00 0.00 S ATOM 1072 CE MET A 79 7.279 -3.743 7.251 1.00 0.00 C ATOM 0 H MET A 79 3.182 -7.107 8.115 1.00 0.00 H new ATOM 0 HA MET A 79 5.011 -5.446 9.576 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.546 -5.175 6.903 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.677 -3.959 7.462 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.368 -6.927 7.174 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.726 -5.717 5.956 1.00 0.00 H new ATOM 0 HE1 MET A 79 8.324 -3.562 6.998 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.666 -3.640 6.356 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.955 -3.018 7.998 1.00 0.00 H new ATOM 1082 N PHE A 80 2.096 -4.023 8.937 1.00 0.00 N ATOM 1083 CA PHE A 80 1.180 -2.953 9.426 1.00 0.00 C ATOM 1084 C PHE A 80 0.688 -3.277 10.834 1.00 0.00 C ATOM 1085 O PHE A 80 0.525 -4.422 11.207 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.011 -2.816 8.450 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.222 -3.551 8.991 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -1.151 -4.927 9.215 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.396 -2.854 9.287 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -2.258 -5.612 9.733 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.500 -3.535 9.804 1.00 0.00 C ATOM 1092 CZ PHE A 80 -3.433 -4.914 10.027 1.00 0.00 C ATOM 0 H PHE A 80 1.788 -4.498 8.088 1.00 0.00 H new ATOM 0 HA PHE A 80 1.718 -2.006 9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.251 -1.763 8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.261 -3.219 7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.242 -5.464 8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.450 -1.789 9.116 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.204 -6.677 9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.407 -2.996 10.032 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.288 -5.439 10.426 1.00 0.00 H new ATOM 1102 N GLN A 81 0.431 -2.258 11.601 1.00 0.00 N ATOM 1103 CA GLN A 81 -0.063 -2.463 12.990 1.00 0.00 C ATOM 1104 C GLN A 81 -1.564 -2.755 12.987 1.00 0.00 C ATOM 1105 O GLN A 81 -1.996 -3.845 12.662 1.00 0.00 O ATOM 1106 CB GLN A 81 0.200 -1.198 13.811 1.00 0.00 C ATOM 1107 CG GLN A 81 1.706 -1.030 14.015 1.00 0.00 C ATOM 1108 CD GLN A 81 1.985 0.264 14.784 1.00 0.00 C ATOM 1109 OE1 GLN A 81 1.714 1.344 14.299 1.00 0.00 O ATOM 1110 NE2 GLN A 81 2.524 0.198 15.972 1.00 0.00 N ATOM 0 H GLN A 81 0.543 -1.283 11.324 1.00 0.00 H new ATOM 0 HA GLN A 81 0.462 -3.312 13.428 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.208 -0.327 13.298 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.304 -1.266 14.775 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.105 -1.883 14.564 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.212 -1.007 13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.751 -0.709 16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.717 1.054 16.493 1.00 0.00 H new ATOM 1119 N GLU A 82 -2.360 -1.788 13.374 1.00 0.00 N ATOM 1120 CA GLU A 82 -3.837 -1.988 13.433 1.00 0.00 C ATOM 1121 C GLU A 82 -4.504 -1.282 12.246 1.00 0.00 C ATOM 1122 O GLU A 82 -4.047 -0.247 11.797 1.00 0.00 O ATOM 1123 CB GLU A 82 -4.380 -1.393 14.740 1.00 0.00 C ATOM 1124 CG GLU A 82 -3.991 -2.298 15.913 1.00 0.00 C ATOM 1125 CD GLU A 82 -4.324 -1.604 17.236 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -3.593 -0.700 17.609 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -5.301 -1.990 17.857 1.00 0.00 O ATOM 0 H GLU A 82 -2.043 -0.860 13.654 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.056 -3.055 13.392 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.978 -0.391 14.891 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.464 -1.296 14.685 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.524 -3.246 15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.926 -2.527 15.870 1.00 0.00 H new ATOM 1134 N PRO A 83 -5.588 -1.827 11.746 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.326 -1.227 10.601 1.00 0.00 C ATOM 1136 C PRO A 83 -7.046 0.061 10.994 1.00 0.00 C ATOM 1137 O PRO A 83 -7.526 0.209 12.100 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.324 -2.320 10.188 1.00 0.00 C ATOM 1139 CG PRO A 83 -7.530 -3.148 11.418 1.00 0.00 C ATOM 1140 CD PRO A 83 -6.227 -3.071 12.213 1.00 0.00 C ATOM 0 HA PRO A 83 -5.657 -0.937 9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.263 -1.886 9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.932 -2.923 9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.366 -2.769 12.006 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.765 -4.180 11.157 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.417 -3.042 13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.594 -3.938 12.024 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.119 0.983 10.080 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.798 2.280 10.346 1.00 0.00 C ATOM 1150 C ARG A 84 -9.287 2.173 10.066 1.00 0.00 C ATOM 1151 O ARG A 84 -9.760 1.231 9.465 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.181 3.364 9.463 1.00 0.00 C ATOM 1153 CG ARG A 84 -5.789 3.736 9.993 1.00 0.00 C ATOM 1154 CD ARG A 84 -5.925 4.757 11.132 1.00 0.00 C ATOM 1155 NE ARG A 84 -4.572 5.193 11.575 1.00 0.00 N ATOM 1156 CZ ARG A 84 -3.945 4.558 12.535 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -4.493 3.523 13.117 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -2.769 4.967 12.913 1.00 0.00 N ATOM 0 H ARG A 84 -6.730 0.892 9.142 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.664 2.540 11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.106 3.010 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.823 4.245 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.275 2.844 10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.182 4.152 9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.504 5.617 10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.468 4.315 11.968 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.128 5.994 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.416 3.203 12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.997 3.036 13.863 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.342 5.776 12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.275 4.478 13.659 1.00 0.00 H new ATOM 1172 N LYS A 85 -10.025 3.142 10.525 1.00 0.00 N ATOM 1173 CA LYS A 85 -11.501 3.142 10.333 1.00 0.00 C ATOM 1174 C LYS A 85 -11.840 3.802 8.997 1.00 0.00 C ATOM 1175 O LYS A 85 -12.977 3.798 8.565 1.00 0.00 O ATOM 1176 CB LYS A 85 -12.156 3.920 11.480 1.00 0.00 C ATOM 1177 CG LYS A 85 -12.006 3.132 12.782 1.00 0.00 C ATOM 1178 CD LYS A 85 -12.654 3.910 13.932 1.00 0.00 C ATOM 1179 CE LYS A 85 -12.541 3.102 15.228 1.00 0.00 C ATOM 1180 NZ LYS A 85 -13.162 3.866 16.350 1.00 0.00 N ATOM 0 H LYS A 85 -9.662 3.948 11.034 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.874 2.118 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.691 4.901 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.211 4.088 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.475 2.153 12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.951 2.960 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.165 4.877 14.051 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.702 4.108 13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.037 2.138 15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.494 2.897 15.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.084 3.316 17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.670 4.775 16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.165 4.040 16.138 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.856 4.345 8.332 1.00 0.00 N ATOM 1195 CA GLY A 86 -11.105 4.988 7.008 1.00 0.00 C ATOM 1196 C GLY A 86 -10.082 6.099 6.746 1.00 0.00 C ATOM 1197 O GLY A 86 -9.236 6.415 7.572 1.00 0.00 O ATOM 0 H GLY A 86 -9.887 4.371 8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.047 4.240 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.113 5.401 6.982 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.165 6.687 5.583 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.231 7.781 5.200 1.00 0.00 C ATOM 1203 C TYR A 87 -9.434 8.972 6.143 1.00 0.00 C ATOM 1204 O TYR A 87 -8.498 9.663 6.511 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.526 8.212 3.758 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.503 9.235 3.329 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.162 8.860 3.191 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -8.889 10.558 3.077 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.206 9.804 2.800 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -7.934 11.501 2.685 1.00 0.00 C ATOM 1211 CZ TYR A 87 -6.593 11.125 2.548 1.00 0.00 C ATOM 1212 OH TYR A 87 -5.651 12.058 2.165 1.00 0.00 O ATOM 0 H TYR A 87 -10.855 6.449 4.870 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.201 7.431 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.495 7.348 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.529 8.632 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.864 7.840 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.923 10.849 3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.171 9.514 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.231 12.520 2.488 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.086 12.925 2.029 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.657 9.221 6.522 1.00 0.00 N ATOM 1223 CA ASP A 88 -10.950 10.363 7.435 1.00 0.00 C ATOM 1224 C ASP A 88 -10.417 10.040 8.832 1.00 0.00 C ATOM 1225 O ASP A 88 -10.202 10.918 9.642 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.470 10.581 7.510 1.00 0.00 C ATOM 1227 CG ASP A 88 -12.972 11.166 6.189 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.150 11.632 5.419 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.174 11.140 5.971 1.00 0.00 O ATOM 0 H ASP A 88 -11.472 8.679 6.237 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.470 11.266 7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.973 9.636 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.710 11.255 8.332 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.211 8.781 9.115 1.00 0.00 N ATOM 1235 CA GLU A 89 -9.700 8.376 10.455 1.00 0.00 C ATOM 1236 C GLU A 89 -8.228 8.762 10.584 1.00 0.00 C ATOM 1237 O GLU A 89 -7.813 9.353 11.563 1.00 0.00 O ATOM 1238 CB GLU A 89 -9.834 6.856 10.597 1.00 0.00 C ATOM 1239 CG GLU A 89 -9.534 6.438 12.042 1.00 0.00 C ATOM 1240 CD GLU A 89 -10.681 6.871 12.959 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -11.691 7.321 12.444 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -10.529 6.743 14.163 1.00 0.00 O ATOM 0 H GLU A 89 -10.377 8.010 8.468 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.275 8.879 11.233 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.841 6.544 10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.147 6.356 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.401 5.358 12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.600 6.891 12.374 1.00 0.00 H new ATOM 1249 N ILE A 90 -7.436 8.426 9.599 1.00 0.00 N ATOM 1250 CA ILE A 90 -5.982 8.757 9.654 1.00 0.00 C ATOM 1251 C ILE A 90 -5.796 10.275 9.715 1.00 0.00 C ATOM 1252 O ILE A 90 -4.961 10.775 10.446 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.270 8.189 8.414 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.058 8.538 7.140 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.146 6.669 8.546 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.272 8.127 5.881 1.00 0.00 C ATOM 0 H ILE A 90 -7.735 7.935 8.756 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.547 8.311 10.548 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.276 8.630 8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.023 8.031 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.261 9.609 7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.642 6.267 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.568 6.427 9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.140 6.229 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.849 8.383 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.318 8.654 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.092 7.052 5.899 1.00 0.00 H new ATOM 1268 N LEU A 91 -6.564 11.005 8.957 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.440 12.491 8.971 1.00 0.00 C ATOM 1270 C LEU A 91 -6.846 13.030 10.344 1.00 0.00 C ATOM 1271 O LEU A 91 -6.239 13.949 10.862 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.360 13.085 7.887 1.00 0.00 C ATOM 1273 CG LEU A 91 -6.671 13.000 6.512 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.724 12.985 5.397 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -5.752 14.219 6.322 1.00 0.00 C ATOM 0 H LEU A 91 -7.275 10.637 8.326 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.407 12.774 8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.306 12.544 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.592 14.123 8.124 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.084 12.083 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.228 12.925 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.377 12.121 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.317 13.898 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.264 14.159 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.344 15.133 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.996 14.230 7.107 1.00 0.00 H new ATOM 1287 N GLU A 92 -7.878 12.475 10.921 1.00 0.00 N ATOM 1288 CA GLU A 92 -8.353 12.949 12.254 1.00 0.00 C ATOM 1289 C GLU A 92 -7.315 12.613 13.323 1.00 0.00 C ATOM 1290 O GLU A 92 -7.073 13.385 14.229 1.00 0.00 O ATOM 1291 CB GLU A 92 -9.678 12.256 12.599 1.00 0.00 C ATOM 1292 CG GLU A 92 -10.278 12.887 13.862 1.00 0.00 C ATOM 1293 CD GLU A 92 -9.554 12.356 15.104 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -9.294 11.164 15.150 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -9.274 13.150 15.985 1.00 0.00 O ATOM 0 H GLU A 92 -8.417 11.706 10.522 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.500 14.029 12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.376 12.350 11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.512 11.190 12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.189 13.972 13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.342 12.657 13.924 1.00 0.00 H new