USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 947 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 130 SER OG : rot -171:sc= 0.917 USER MOD Set 1.2: A 132 LYS NZ :NH3+ -164:sc= 0.831! (180deg=-1.04!) USER MOD Set 2.1: A 113 SER OG : rot -97:sc= -4.25! USER MOD Set 2.2: A 116 HIS : no HD1:sc= -11.4! C(o=-16!,f=-21!) USER MOD Set 3.1: A 31 SER OG : rot 68:sc= 1.25 USER MOD Set 3.2: A 108 TYR OH : rot 180:sc= 0.478 USER MOD Set 4.1: A 55 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-2.1) USER MOD Set 4.2: A 57 GLN : amide:sc= 0 X(o=-1.7,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -8.62! (180deg=-9.49!) USER MOD Single : A 29 TYR OH : rot -136:sc= 0.193 USER MOD Single : A 30 CYS SG : rot 77:sc= -0.575 USER MOD Single : A 35 HIS : no HE2:sc= -11.2! C(o=-11!,f=-14!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -100:sc= -0.605 USER MOD Single : A 52 SER OG : rot 65:sc= 1.05 USER MOD Single : A 54 GLN : amide:sc= -4.81! C(o=-4.8!,f=-11!) USER MOD Single : A 59 GLN : amide:sc= -0.748 K(o=-0.75,f=-0.016) USER MOD Single : A 61 SER OG : rot -59:sc= 0.851 USER MOD Single : A 64 SER OG : rot 72:sc= 1.09 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 139:sc= -2.74 (180deg=-6.13!) USER MOD Single : A 72 SER OG : rot 88:sc= 0.28 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -72:sc= 1.04 USER MOD Single : A 77 GLN : amide:sc= -0.325 K(o=-0.32,f=-1) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -106:sc= -5.94! (180deg=-14.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -3.74! USER MOD Single : A 90 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 92 THR OG1 : rot 67:sc= 0.991 USER MOD Single : A 94 ASN : amide:sc= -4.3! K(o=-4.3!,f=-1.1) USER MOD Single : A 97 CYS SG : rot 36:sc= -1.92! USER MOD Single : A 106 ASN : amide:sc= -0.0158 X(o=-0.016,f=0.23) USER MOD Single : A 107 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-2.8!) USER MOD Single : A 109 ASN : amide:sc= 0.788 K(o=0.79,f=-0.91) USER MOD Single : A 110 THR OG1 : rot 150:sc= -1.22 USER MOD Single : A 111 TYR OH : rot 70:sc= -0.138 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.12) USER MOD Single : A 126 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.2) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.0008) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot -148:sc= 1.13 USER MOD Single : A 138 HIS : no HD1:sc= -3.55! C(o=-3.6!,f=-6.5!) USER MOD Single : A 139 TYR OH : rot 180:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -8.023 -5.823 8.925 1.00 0.00 N ATOM 38 CA LYS A 26 -7.023 -6.499 8.116 1.00 0.00 C ATOM 39 C LYS A 26 -5.663 -5.830 8.330 1.00 0.00 C ATOM 40 O LYS A 26 -5.575 -4.605 8.404 1.00 0.00 O ATOM 41 CB LYS A 26 -7.461 -6.548 6.651 1.00 0.00 C ATOM 42 CG LYS A 26 -6.350 -7.114 5.765 1.00 0.00 C ATOM 43 CD LYS A 26 -6.151 -6.251 4.517 1.00 0.00 C ATOM 44 CE LYS A 26 -4.844 -5.460 4.601 1.00 0.00 C ATOM 45 NZ LYS A 26 -4.609 -4.714 3.345 1.00 0.00 N ATOM 0 HA LYS A 26 -6.920 -7.538 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.356 -7.163 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.725 -5.546 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.419 -7.163 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.599 -8.134 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.141 -6.885 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.990 -5.564 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.885 -4.766 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.012 -6.139 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.794 -4.079 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.414 -5.385 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.453 -4.153 3.111 1.00 0.00 H new ATOM 59 N LEU A 27 -4.637 -6.663 8.422 1.00 0.00 N ATOM 60 CA LEU A 27 -3.287 -6.167 8.625 1.00 0.00 C ATOM 61 C LEU A 27 -2.381 -6.694 7.510 1.00 0.00 C ATOM 62 O LEU A 27 -2.002 -7.864 7.514 1.00 0.00 O ATOM 63 CB LEU A 27 -2.795 -6.513 10.032 1.00 0.00 C ATOM 64 CG LEU A 27 -1.673 -7.551 10.114 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.406 -7.045 9.422 1.00 0.00 C ATOM 66 CD2 LEU A 27 -1.410 -7.960 11.564 1.00 0.00 C ATOM 0 H LEU A 27 -4.714 -7.678 8.360 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.268 -5.079 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.451 -5.596 10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.643 -6.877 10.613 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.995 -8.445 9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.375 -7.802 9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.620 -6.845 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.069 -6.128 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.609 -8.698 11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.118 -7.083 12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.316 -8.390 11.991 1.00 0.00 H new ATOM 78 N LEU A 28 -2.061 -5.805 6.581 1.00 0.00 N ATOM 79 CA LEU A 28 -1.207 -6.166 5.462 1.00 0.00 C ATOM 80 C LEU A 28 0.243 -6.260 5.942 1.00 0.00 C ATOM 81 O LEU A 28 0.533 -5.998 7.108 1.00 0.00 O ATOM 82 CB LEU A 28 -1.408 -5.192 4.299 1.00 0.00 C ATOM 83 CG LEU A 28 -1.889 -5.809 2.984 1.00 0.00 C ATOM 84 CD1 LEU A 28 -2.030 -4.741 1.897 1.00 0.00 C ATOM 85 CD2 LEU A 28 -0.973 -6.954 2.548 1.00 0.00 C ATOM 0 H LEU A 28 -2.378 -4.835 6.580 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.480 -7.148 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.128 -4.433 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.464 -4.679 4.113 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.879 -6.234 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.373 -5.206 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.753 -3.990 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.064 -4.265 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.337 -7.375 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.040 -6.576 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.968 -7.728 3.315 1.00 0.00 H new ATOM 97 N TYR A 29 1.115 -6.635 5.018 1.00 0.00 N ATOM 98 CA TYR A 29 2.528 -6.767 5.332 1.00 0.00 C ATOM 99 C TYR A 29 3.351 -7.003 4.065 1.00 0.00 C ATOM 100 O TYR A 29 2.824 -7.468 3.055 1.00 0.00 O ATOM 101 CB TYR A 29 2.645 -7.994 6.239 1.00 0.00 C ATOM 102 CG TYR A 29 4.049 -8.600 6.286 1.00 0.00 C ATOM 103 CD1 TYR A 29 5.104 -7.860 6.778 1.00 0.00 C ATOM 104 CD2 TYR A 29 4.260 -9.888 5.836 1.00 0.00 C ATOM 105 CE1 TYR A 29 6.426 -8.431 6.823 1.00 0.00 C ATOM 106 CE2 TYR A 29 5.581 -10.459 5.881 1.00 0.00 C ATOM 107 CZ TYR A 29 6.599 -9.702 6.372 1.00 0.00 C ATOM 108 OH TYR A 29 7.847 -10.241 6.414 1.00 0.00 O ATOM 0 H TYR A 29 0.871 -6.852 4.052 1.00 0.00 H new ATOM 0 HA TYR A 29 2.903 -5.860 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.346 -7.716 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.943 -8.755 5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.939 -6.852 7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.434 -10.467 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.260 -7.862 7.206 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.760 -11.466 5.533 1.00 0.00 H new ATOM 0 HH TYR A 29 8.032 -10.704 5.570 1.00 0.00 H new ATOM 118 N CYS A 30 4.631 -6.673 4.159 1.00 0.00 N ATOM 119 CA CYS A 30 5.533 -6.844 3.032 1.00 0.00 C ATOM 120 C CYS A 30 5.948 -8.315 2.968 1.00 0.00 C ATOM 121 O CYS A 30 6.419 -8.875 3.957 1.00 0.00 O ATOM 122 CB CYS A 30 6.743 -5.913 3.130 1.00 0.00 C ATOM 123 SG CYS A 30 6.209 -4.171 2.961 1.00 0.00 S ATOM 0 H CYS A 30 5.065 -6.288 4.998 1.00 0.00 H new ATOM 0 HA CYS A 30 5.022 -6.571 2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.246 -6.056 4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.465 -6.158 2.351 1.00 0.00 H new ATOM 0 HG CYS A 30 5.677 -3.770 4.077 1.00 0.00 H new ATOM 129 N SER A 31 5.758 -8.900 1.794 1.00 0.00 N ATOM 130 CA SER A 31 6.106 -10.295 1.588 1.00 0.00 C ATOM 131 C SER A 31 7.276 -10.682 2.495 1.00 0.00 C ATOM 132 O SER A 31 7.077 -11.016 3.662 1.00 0.00 O ATOM 133 CB SER A 31 6.459 -10.564 0.124 1.00 0.00 C ATOM 134 OG SER A 31 7.153 -11.798 -0.041 1.00 0.00 O ATOM 0 H SER A 31 5.367 -8.433 0.976 1.00 0.00 H new ATOM 0 HA SER A 31 5.239 -10.905 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.546 -10.579 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.074 -9.749 -0.256 1.00 0.00 H new ATOM 0 HG SER A 31 6.548 -12.543 0.160 1.00 0.00 H new ATOM 168 N HIS A 35 8.259 -4.565 5.665 1.00 0.00 N ATOM 169 CA HIS A 35 7.573 -3.797 6.690 1.00 0.00 C ATOM 170 C HIS A 35 6.063 -4.004 6.561 1.00 0.00 C ATOM 171 O HIS A 35 5.605 -4.728 5.678 1.00 0.00 O ATOM 172 CB HIS A 35 7.977 -2.323 6.626 1.00 0.00 C ATOM 173 CG HIS A 35 9.464 -2.088 6.742 1.00 0.00 C ATOM 174 ND1 HIS A 35 10.394 -2.789 5.994 1.00 0.00 N ATOM 175 CD2 HIS A 35 10.172 -1.223 7.524 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.604 -2.358 6.320 1.00 0.00 C ATOM 177 NE2 HIS A 35 11.464 -1.388 7.269 1.00 0.00 N ATOM 0 HA HIS A 35 7.871 -4.152 7.676 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.625 -1.901 5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.471 -1.783 7.426 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.184 -3.514 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.752 -0.523 8.231 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.537 -2.712 5.907 1.00 0.00 H new ATOM 185 N PHE A 36 5.330 -3.354 7.454 1.00 0.00 N ATOM 186 CA PHE A 36 3.881 -3.458 7.451 1.00 0.00 C ATOM 187 C PHE A 36 3.233 -2.079 7.316 1.00 0.00 C ATOM 188 O PHE A 36 3.194 -1.310 8.276 1.00 0.00 O ATOM 189 CB PHE A 36 3.474 -4.071 8.793 1.00 0.00 C ATOM 190 CG PHE A 36 3.981 -5.498 9.004 1.00 0.00 C ATOM 191 CD1 PHE A 36 5.313 -5.732 9.151 1.00 0.00 C ATOM 192 CD2 PHE A 36 3.100 -6.534 9.046 1.00 0.00 C ATOM 193 CE1 PHE A 36 5.783 -7.057 9.348 1.00 0.00 C ATOM 194 CE2 PHE A 36 3.571 -7.859 9.242 1.00 0.00 C ATOM 195 CZ PHE A 36 4.903 -8.093 9.389 1.00 0.00 C ATOM 0 H PHE A 36 5.713 -2.754 8.184 1.00 0.00 H new ATOM 0 HA PHE A 36 3.553 -4.068 6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.850 -3.440 9.598 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.387 -4.068 8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.013 -4.910 9.118 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.042 -6.348 8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.840 -7.242 9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.872 -8.681 9.274 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.261 -9.101 9.538 1.00 0.00 H new ATOM 205 N LEU A 37 2.740 -1.807 6.117 1.00 0.00 N ATOM 206 CA LEU A 37 2.095 -0.533 5.844 1.00 0.00 C ATOM 207 C LEU A 37 1.270 -0.113 7.061 1.00 0.00 C ATOM 208 O LEU A 37 0.733 -0.959 7.774 1.00 0.00 O ATOM 209 CB LEU A 37 1.285 -0.610 4.548 1.00 0.00 C ATOM 210 CG LEU A 37 1.701 0.358 3.439 1.00 0.00 C ATOM 211 CD1 LEU A 37 1.136 -0.081 2.087 1.00 0.00 C ATOM 212 CD2 LEU A 37 1.304 1.794 3.787 1.00 0.00 C ATOM 0 H LEU A 37 2.774 -2.447 5.323 1.00 0.00 H new ATOM 0 HA LEU A 37 2.841 0.245 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.353 -1.626 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.237 -0.429 4.787 1.00 0.00 H new ATOM 0 HG LEU A 37 2.788 0.335 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.447 0.624 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.510 -1.075 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.047 -0.106 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.611 2.462 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.223 1.852 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.795 2.093 4.713 1.00 0.00 H new ATOM 224 N ARG A 38 1.195 1.195 7.263 1.00 0.00 N ATOM 225 CA ARG A 38 0.444 1.738 8.382 1.00 0.00 C ATOM 226 C ARG A 38 -0.224 3.055 7.983 1.00 0.00 C ATOM 227 O ARG A 38 0.427 3.946 7.441 1.00 0.00 O ATOM 228 CB ARG A 38 1.352 1.979 9.589 1.00 0.00 C ATOM 229 CG ARG A 38 2.599 2.770 9.188 1.00 0.00 C ATOM 230 CD ARG A 38 3.155 3.557 10.377 1.00 0.00 C ATOM 231 NE ARG A 38 3.474 2.635 11.490 1.00 0.00 N ATOM 232 CZ ARG A 38 3.892 3.034 12.699 1.00 0.00 C ATOM 233 NH1 ARG A 38 4.044 4.339 12.958 1.00 0.00 N ATOM 234 NH2 ARG A 38 4.158 2.126 13.648 1.00 0.00 N ATOM 0 H ARG A 38 1.642 1.894 6.670 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.318 1.009 8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.804 2.523 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.647 1.024 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.361 2.088 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.354 3.455 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.050 4.101 10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.427 4.298 10.705 1.00 0.00 H new ATOM 0 HE ARG A 38 3.369 1.634 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.842 5.029 12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.362 4.643 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.042 1.132 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.476 2.429 14.569 1.00 0.00 H new ATOM 248 N ILE A 39 -1.515 3.137 8.268 1.00 0.00 N ATOM 249 CA ILE A 39 -2.279 4.331 7.947 1.00 0.00 C ATOM 250 C ILE A 39 -2.581 5.100 9.234 1.00 0.00 C ATOM 251 O ILE A 39 -3.362 4.641 10.067 1.00 0.00 O ATOM 252 CB ILE A 39 -3.527 3.967 7.140 1.00 0.00 C ATOM 253 CG1 ILE A 39 -3.497 4.623 5.758 1.00 0.00 C ATOM 254 CG2 ILE A 39 -4.800 4.317 7.913 1.00 0.00 C ATOM 255 CD1 ILE A 39 -2.288 4.146 4.951 1.00 0.00 C ATOM 0 H ILE A 39 -2.052 2.396 8.718 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.697 4.995 7.308 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.531 2.888 6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.415 4.387 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.461 5.707 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.673 4.048 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.818 3.765 8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.817 5.387 8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.290 4.627 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.372 4.406 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.339 3.065 4.823 1.00 0.00 H new ATOM 267 N LEU A 40 -1.946 6.256 9.358 1.00 0.00 N ATOM 268 CA LEU A 40 -2.138 7.093 10.530 1.00 0.00 C ATOM 269 C LEU A 40 -3.347 8.004 10.309 1.00 0.00 C ATOM 270 O LEU A 40 -3.570 8.488 9.201 1.00 0.00 O ATOM 271 CB LEU A 40 -0.851 7.851 10.863 1.00 0.00 C ATOM 272 CG LEU A 40 0.457 7.128 10.534 1.00 0.00 C ATOM 273 CD1 LEU A 40 1.593 8.128 10.303 1.00 0.00 C ATOM 274 CD2 LEU A 40 0.806 6.105 11.616 1.00 0.00 C ATOM 0 H LEU A 40 -1.298 6.633 8.666 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.356 6.480 11.404 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.863 8.800 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.856 8.085 11.928 1.00 0.00 H new ATOM 0 HG LEU A 40 0.318 6.577 9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.511 7.588 10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.337 8.783 9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.741 8.725 11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.740 5.606 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.919 6.613 12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.008 5.366 11.689 1.00 0.00 H new ATOM 286 N PRO A 41 -4.117 8.214 11.410 1.00 0.00 N ATOM 287 CA PRO A 41 -5.298 9.058 11.348 1.00 0.00 C ATOM 288 C PRO A 41 -4.913 10.537 11.292 1.00 0.00 C ATOM 289 O PRO A 41 -5.775 11.410 11.376 1.00 0.00 O ATOM 290 CB PRO A 41 -6.103 8.700 12.587 1.00 0.00 C ATOM 291 CG PRO A 41 -5.130 8.014 13.532 1.00 0.00 C ATOM 292 CD PRO A 41 -3.884 7.656 12.739 1.00 0.00 C ATOM 0 HA PRO A 41 -5.886 8.892 10.445 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.531 9.591 13.046 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.934 8.041 12.336 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.877 8.672 14.363 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.581 7.118 13.960 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.989 8.080 13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.739 6.577 12.695 1.00 0.00 H new ATOM 300 N ASP A 42 -3.617 10.774 11.151 1.00 0.00 N ATOM 301 CA ASP A 42 -3.107 12.132 11.083 1.00 0.00 C ATOM 302 C ASP A 42 -3.025 12.569 9.619 1.00 0.00 C ATOM 303 O ASP A 42 -3.172 13.751 9.311 1.00 0.00 O ATOM 304 CB ASP A 42 -1.703 12.225 11.683 1.00 0.00 C ATOM 305 CG ASP A 42 -1.639 12.821 13.091 1.00 0.00 C ATOM 306 OD1 ASP A 42 -2.069 13.987 13.233 1.00 0.00 O ATOM 307 OD2 ASP A 42 -1.163 12.099 13.993 1.00 0.00 O ATOM 0 H ASP A 42 -2.905 10.047 11.082 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.783 12.774 11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.268 11.226 11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.081 12.827 11.021 1.00 0.00 H new ATOM 312 N GLY A 43 -2.790 11.592 8.756 1.00 0.00 N ATOM 313 CA GLY A 43 -2.686 11.860 7.331 1.00 0.00 C ATOM 314 C GLY A 43 -1.281 11.543 6.815 1.00 0.00 C ATOM 315 O GLY A 43 -0.855 12.083 5.795 1.00 0.00 O ATOM 0 H GLY A 43 -2.669 10.613 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.419 11.262 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.922 12.906 7.136 1.00 0.00 H new ATOM 319 N THR A 44 -0.601 10.669 7.542 1.00 0.00 N ATOM 320 CA THR A 44 0.747 10.274 7.170 1.00 0.00 C ATOM 321 C THR A 44 0.826 8.757 6.986 1.00 0.00 C ATOM 322 O THR A 44 0.266 8.002 7.780 1.00 0.00 O ATOM 323 CB THR A 44 1.707 10.808 8.234 1.00 0.00 C ATOM 324 OG1 THR A 44 2.096 12.087 7.740 1.00 0.00 O ATOM 325 CG2 THR A 44 3.016 10.018 8.291 1.00 0.00 C ATOM 0 H THR A 44 -0.958 10.223 8.387 1.00 0.00 H new ATOM 0 HA THR A 44 1.034 10.702 6.209 1.00 0.00 H new ATOM 0 HB THR A 44 1.221 10.777 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.719 12.506 8.371 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.661 10.438 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.802 8.975 8.525 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.519 10.077 7.326 1.00 0.00 H new ATOM 333 N VAL A 45 1.525 8.356 5.935 1.00 0.00 N ATOM 334 CA VAL A 45 1.685 6.943 5.637 1.00 0.00 C ATOM 335 C VAL A 45 3.152 6.550 5.821 1.00 0.00 C ATOM 336 O VAL A 45 4.019 7.414 5.945 1.00 0.00 O ATOM 337 CB VAL A 45 1.157 6.641 4.233 1.00 0.00 C ATOM 338 CG1 VAL A 45 0.766 5.168 4.100 1.00 0.00 C ATOM 339 CG2 VAL A 45 -0.019 7.554 3.882 1.00 0.00 C ATOM 0 H VAL A 45 1.987 8.985 5.279 1.00 0.00 H new ATOM 0 HA VAL A 45 1.097 6.338 6.328 1.00 0.00 H new ATOM 0 HB VAL A 45 1.960 6.840 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.394 4.980 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.638 4.542 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.013 4.932 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.376 7.319 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.825 7.401 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.305 8.594 3.917 1.00 0.00 H new ATOM 349 N ASP A 46 3.385 5.245 5.833 1.00 0.00 N ATOM 350 CA ASP A 46 4.733 4.728 6.000 1.00 0.00 C ATOM 351 C ASP A 46 4.672 3.210 6.187 1.00 0.00 C ATOM 352 O ASP A 46 3.615 2.603 6.024 1.00 0.00 O ATOM 353 CB ASP A 46 5.405 5.330 7.235 1.00 0.00 C ATOM 354 CG ASP A 46 4.463 6.062 8.193 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.345 5.541 8.397 1.00 0.00 O ATOM 356 OD2 ASP A 46 4.881 7.125 8.698 1.00 0.00 O ATOM 0 H ASP A 46 2.664 4.531 5.730 1.00 0.00 H new ATOM 0 HA ASP A 46 5.308 4.992 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.907 4.532 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.177 6.026 6.907 1.00 0.00 H new ATOM 361 N GLY A 47 5.819 2.642 6.528 1.00 0.00 N ATOM 362 CA GLY A 47 5.909 1.207 6.739 1.00 0.00 C ATOM 363 C GLY A 47 6.774 0.886 7.960 1.00 0.00 C ATOM 364 O GLY A 47 7.813 1.510 8.171 1.00 0.00 O ATOM 0 H GLY A 47 6.694 3.149 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.910 0.793 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.332 0.731 5.854 1.00 0.00 H new ATOM 368 N THR A 48 6.313 -0.087 8.732 1.00 0.00 N ATOM 369 CA THR A 48 7.031 -0.498 9.927 1.00 0.00 C ATOM 370 C THR A 48 7.619 -1.899 9.740 1.00 0.00 C ATOM 371 O THR A 48 6.895 -2.842 9.423 1.00 0.00 O ATOM 372 CB THR A 48 6.072 -0.395 11.114 1.00 0.00 C ATOM 373 OG1 THR A 48 5.422 0.859 10.927 1.00 0.00 O ATOM 374 CG2 THR A 48 6.806 -0.240 12.448 1.00 0.00 C ATOM 0 H THR A 48 5.451 -0.603 8.554 1.00 0.00 H new ATOM 0 HA THR A 48 7.882 0.155 10.121 1.00 0.00 H new ATOM 0 HB THR A 48 5.440 -1.283 11.149 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.835 1.532 11.508 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.079 -0.171 13.257 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.450 -1.104 12.611 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.412 0.666 12.427 1.00 0.00 H new ATOM 382 N ARG A 49 8.925 -1.990 9.943 1.00 0.00 N ATOM 383 CA ARG A 49 9.617 -3.259 9.801 1.00 0.00 C ATOM 384 C ARG A 49 8.733 -4.405 10.296 1.00 0.00 C ATOM 385 O ARG A 49 8.487 -5.363 9.566 1.00 0.00 O ATOM 386 CB ARG A 49 10.930 -3.261 10.588 1.00 0.00 C ATOM 387 CG ARG A 49 11.901 -4.305 10.032 1.00 0.00 C ATOM 388 CD ARG A 49 13.299 -4.125 10.626 1.00 0.00 C ATOM 389 NE ARG A 49 13.803 -5.420 11.136 1.00 0.00 N ATOM 390 CZ ARG A 49 13.414 -5.974 12.292 1.00 0.00 C ATOM 391 NH1 ARG A 49 12.515 -5.351 13.065 1.00 0.00 N ATOM 392 NH2 ARG A 49 13.925 -7.153 12.675 1.00 0.00 N ATOM 0 H ARG A 49 9.522 -1.205 10.205 1.00 0.00 H new ATOM 0 HA ARG A 49 9.839 -3.398 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.387 -2.273 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.728 -3.470 11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.532 -5.306 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.950 -4.220 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.978 -3.734 9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.269 -3.394 11.434 1.00 0.00 H new ATOM 0 HE ARG A 49 14.489 -5.922 10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.126 -4.454 12.774 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.219 -5.773 13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.610 -7.628 12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.629 -7.575 13.555 1.00 0.00 H new ATOM 406 N ASP A 50 8.279 -4.268 11.534 1.00 0.00 N ATOM 407 CA ASP A 50 7.427 -5.280 12.135 1.00 0.00 C ATOM 408 C ASP A 50 6.238 -4.600 12.815 1.00 0.00 C ATOM 409 O ASP A 50 6.390 -3.985 13.870 1.00 0.00 O ATOM 410 CB ASP A 50 8.186 -6.079 13.196 1.00 0.00 C ATOM 411 CG ASP A 50 9.294 -6.985 12.654 1.00 0.00 C ATOM 412 OD1 ASP A 50 10.069 -6.489 11.808 1.00 0.00 O ATOM 413 OD2 ASP A 50 9.341 -8.152 13.099 1.00 0.00 O ATOM 0 H ASP A 50 8.485 -3.471 12.137 1.00 0.00 H new ATOM 0 HA ASP A 50 7.095 -5.954 11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.624 -5.382 13.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.473 -6.692 13.747 1.00 0.00 H new ATOM 418 N ARG A 51 5.080 -4.734 12.185 1.00 0.00 N ATOM 419 CA ARG A 51 3.865 -4.140 12.716 1.00 0.00 C ATOM 420 C ARG A 51 3.992 -3.935 14.227 1.00 0.00 C ATOM 421 O ARG A 51 4.390 -4.848 14.950 1.00 0.00 O ATOM 422 CB ARG A 51 2.649 -5.023 12.429 1.00 0.00 C ATOM 423 CG ARG A 51 3.074 -6.466 12.146 1.00 0.00 C ATOM 424 CD ARG A 51 3.870 -7.043 13.318 1.00 0.00 C ATOM 425 NE ARG A 51 3.088 -6.924 14.569 1.00 0.00 N ATOM 426 CZ ARG A 51 3.552 -7.262 15.780 1.00 0.00 C ATOM 427 NH1 ARG A 51 4.796 -7.741 15.911 1.00 0.00 N ATOM 428 NH2 ARG A 51 2.771 -7.121 16.860 1.00 0.00 N ATOM 0 H ARG A 51 4.958 -5.246 11.311 1.00 0.00 H new ATOM 0 HA ARG A 51 3.724 -3.177 12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.970 -5.001 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.101 -4.627 11.574 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.192 -7.080 11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.678 -6.500 11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.108 -8.089 13.126 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.818 -6.514 13.420 1.00 0.00 H new ATOM 0 HE ARG A 51 2.136 -6.562 14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.390 -7.849 15.089 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.149 -7.998 16.833 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.824 -6.757 16.760 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.124 -7.378 17.782 1.00 0.00 H new ATOM 442 N SER A 52 3.646 -2.731 14.660 1.00 0.00 N ATOM 443 CA SER A 52 3.717 -2.395 16.072 1.00 0.00 C ATOM 444 C SER A 52 3.268 -0.948 16.287 1.00 0.00 C ATOM 445 O SER A 52 3.945 -0.180 16.969 1.00 0.00 O ATOM 446 CB SER A 52 5.131 -2.599 16.617 1.00 0.00 C ATOM 447 OG SER A 52 5.925 -1.421 16.496 1.00 0.00 O ATOM 0 H SER A 52 3.316 -1.977 14.058 1.00 0.00 H new ATOM 0 HA SER A 52 3.049 -3.062 16.617 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.077 -2.893 17.665 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.612 -3.417 16.081 1.00 0.00 H new ATOM 0 HG SER A 52 5.550 -0.714 17.062 1.00 0.00 H new ATOM 453 N ASP A 53 2.129 -0.620 15.694 1.00 0.00 N ATOM 454 CA ASP A 53 1.582 0.720 15.813 1.00 0.00 C ATOM 455 C ASP A 53 0.183 0.643 16.427 1.00 0.00 C ATOM 456 O ASP A 53 -0.254 -0.425 16.853 1.00 0.00 O ATOM 457 CB ASP A 53 1.461 1.389 14.443 1.00 0.00 C ATOM 458 CG ASP A 53 1.709 2.899 14.436 1.00 0.00 C ATOM 459 OD1 ASP A 53 2.375 3.369 15.383 1.00 0.00 O ATOM 460 OD2 ASP A 53 1.226 3.549 13.484 1.00 0.00 O ATOM 0 H ASP A 53 1.570 -1.260 15.130 1.00 0.00 H new ATOM 0 HA ASP A 53 2.255 1.304 16.441 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.168 0.917 13.761 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.463 1.198 14.049 1.00 0.00 H new ATOM 465 N GLN A 54 -0.481 1.789 16.453 1.00 0.00 N ATOM 466 CA GLN A 54 -1.822 1.865 17.008 1.00 0.00 C ATOM 467 C GLN A 54 -2.840 1.299 16.015 1.00 0.00 C ATOM 468 O GLN A 54 -3.869 0.758 16.417 1.00 0.00 O ATOM 469 CB GLN A 54 -2.175 3.302 17.396 1.00 0.00 C ATOM 470 CG GLN A 54 -2.952 3.997 16.276 1.00 0.00 C ATOM 471 CD GLN A 54 -2.104 4.111 15.008 1.00 0.00 C ATOM 472 OE1 GLN A 54 -0.903 3.897 15.012 1.00 0.00 O ATOM 473 NE2 GLN A 54 -2.794 4.458 13.925 1.00 0.00 N ATOM 0 H GLN A 54 -0.115 2.673 16.099 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.853 1.261 17.915 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.770 3.300 18.309 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.263 3.859 17.611 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.863 3.438 16.060 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.258 4.991 16.603 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.798 4.623 13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.319 4.560 13.028 1.00 0.00 H new ATOM 482 N HIS A 55 -2.517 1.444 14.739 1.00 0.00 N ATOM 483 CA HIS A 55 -3.390 0.954 13.686 1.00 0.00 C ATOM 484 C HIS A 55 -2.659 1.015 12.343 1.00 0.00 C ATOM 485 O HIS A 55 -2.514 2.088 11.758 1.00 0.00 O ATOM 486 CB HIS A 55 -4.713 1.723 13.675 1.00 0.00 C ATOM 487 CG HIS A 55 -5.802 1.081 14.500 1.00 0.00 C ATOM 488 ND1 HIS A 55 -6.207 -0.230 14.318 1.00 0.00 N ATOM 489 CD2 HIS A 55 -6.566 1.582 15.514 1.00 0.00 C ATOM 490 CE1 HIS A 55 -7.172 -0.494 15.187 1.00 0.00 C ATOM 491 NE2 HIS A 55 -7.393 0.630 15.926 1.00 0.00 N ATOM 0 H HIS A 55 -1.663 1.894 14.410 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.644 -0.089 13.876 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.538 2.733 14.046 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.059 1.817 12.645 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.507 2.584 15.913 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.692 -1.435 15.291 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.081 0.724 16.673 1.00 0.00 H new ATOM 499 N ILE A 56 -2.216 -0.150 11.893 1.00 0.00 N ATOM 500 CA ILE A 56 -1.504 -0.243 10.631 1.00 0.00 C ATOM 501 C ILE A 56 -2.327 -1.076 9.646 1.00 0.00 C ATOM 502 O ILE A 56 -1.902 -1.305 8.514 1.00 0.00 O ATOM 503 CB ILE A 56 -0.087 -0.777 10.853 1.00 0.00 C ATOM 504 CG1 ILE A 56 -0.107 -2.277 11.156 1.00 0.00 C ATOM 505 CG2 ILE A 56 0.634 0.018 11.943 1.00 0.00 C ATOM 506 CD1 ILE A 56 -0.427 -3.086 9.897 1.00 0.00 C ATOM 0 H ILE A 56 -2.337 -1.038 12.381 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.382 0.746 10.189 1.00 0.00 H new ATOM 0 HB ILE A 56 0.477 -0.643 9.930 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.860 -2.584 11.554 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.850 -2.486 11.926 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.639 -0.382 12.081 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.698 1.065 11.648 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.080 -0.062 12.878 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.435 -4.149 10.140 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.405 -2.793 9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.331 -2.893 9.138 1.00 0.00 H new ATOM 518 N GLN A 57 -3.490 -1.506 10.112 1.00 0.00 N ATOM 519 CA GLN A 57 -4.376 -2.308 9.286 1.00 0.00 C ATOM 520 C GLN A 57 -4.590 -1.636 7.928 1.00 0.00 C ATOM 521 O GLN A 57 -4.459 -0.419 7.806 1.00 0.00 O ATOM 522 CB GLN A 57 -5.711 -2.554 9.992 1.00 0.00 C ATOM 523 CG GLN A 57 -5.624 -3.763 10.924 1.00 0.00 C ATOM 524 CD GLN A 57 -6.144 -3.418 12.321 1.00 0.00 C ATOM 525 OE1 GLN A 57 -7.337 -3.369 12.573 1.00 0.00 O ATOM 526 NE2 GLN A 57 -5.186 -3.181 13.212 1.00 0.00 N ATOM 0 H GLN A 57 -3.839 -1.314 11.051 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.906 -3.277 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.993 -1.670 10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.494 -2.717 9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.204 -4.588 10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.590 -4.102 10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.206 -3.239 12.935 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.431 -2.941 14.173 1.00 0.00 H new ATOM 535 N LEU A 58 -4.915 -2.458 6.941 1.00 0.00 N ATOM 536 CA LEU A 58 -5.148 -1.959 5.597 1.00 0.00 C ATOM 537 C LEU A 58 -6.258 -2.779 4.937 1.00 0.00 C ATOM 538 O LEU A 58 -6.800 -3.700 5.547 1.00 0.00 O ATOM 539 CB LEU A 58 -3.842 -1.938 4.799 1.00 0.00 C ATOM 540 CG LEU A 58 -2.811 -0.892 5.229 1.00 0.00 C ATOM 541 CD1 LEU A 58 -1.608 -1.554 5.904 1.00 0.00 C ATOM 542 CD2 LEU A 58 -2.394 -0.016 4.046 1.00 0.00 C ATOM 0 H LEU A 58 -5.022 -3.467 7.046 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.492 -0.925 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.381 -2.923 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.083 -1.772 3.749 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.275 -0.238 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.890 -0.789 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.941 -2.100 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.135 -2.245 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.661 0.719 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.955 -0.640 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.269 0.498 3.648 1.00 0.00 H new ATOM 554 N GLN A 59 -6.564 -2.416 3.700 1.00 0.00 N ATOM 555 CA GLN A 59 -7.599 -3.107 2.952 1.00 0.00 C ATOM 556 C GLN A 59 -7.556 -2.694 1.479 1.00 0.00 C ATOM 557 O GLN A 59 -7.293 -1.534 1.164 1.00 0.00 O ATOM 558 CB GLN A 59 -8.981 -2.843 3.554 1.00 0.00 C ATOM 559 CG GLN A 59 -10.014 -3.834 3.014 1.00 0.00 C ATOM 560 CD GLN A 59 -10.746 -4.539 4.157 1.00 0.00 C ATOM 561 OE1 GLN A 59 -11.961 -4.503 4.266 1.00 0.00 O ATOM 562 NE2 GLN A 59 -9.943 -5.181 5.000 1.00 0.00 N ATOM 0 H GLN A 59 -6.113 -1.652 3.197 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.410 -4.179 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.929 -2.922 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.294 -1.825 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.733 -3.309 2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.520 -4.573 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.934 -5.171 4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.336 -5.683 5.796 1.00 0.00 H new ATOM 571 N LEU A 60 -7.816 -3.665 0.617 1.00 0.00 N ATOM 572 CA LEU A 60 -7.810 -3.417 -0.815 1.00 0.00 C ATOM 573 C LEU A 60 -9.242 -3.489 -1.347 1.00 0.00 C ATOM 574 O LEU A 60 -10.120 -4.063 -0.703 1.00 0.00 O ATOM 575 CB LEU A 60 -6.843 -4.371 -1.520 1.00 0.00 C ATOM 576 CG LEU A 60 -5.592 -4.762 -0.731 1.00 0.00 C ATOM 577 CD1 LEU A 60 -5.072 -6.132 -1.170 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.516 -3.679 -0.839 1.00 0.00 C ATOM 0 H LEU A 60 -8.032 -4.626 0.882 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.442 -2.413 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.385 -5.281 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.529 -3.911 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.863 -4.843 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.182 -6.385 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.842 -6.885 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.821 -6.103 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.637 -3.981 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.241 -3.542 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.902 -2.741 -0.440 1.00 0.00 H new ATOM 590 N SER A 61 -9.435 -2.898 -2.517 1.00 0.00 N ATOM 591 CA SER A 61 -10.746 -2.888 -3.143 1.00 0.00 C ATOM 592 C SER A 61 -10.604 -3.039 -4.659 1.00 0.00 C ATOM 593 O SER A 61 -11.136 -2.232 -5.420 1.00 0.00 O ATOM 594 CB SER A 61 -11.507 -1.604 -2.807 1.00 0.00 C ATOM 595 OG SER A 61 -12.548 -1.340 -3.743 1.00 0.00 O ATOM 0 H SER A 61 -8.705 -2.423 -3.048 1.00 0.00 H new ATOM 0 HA SER A 61 -11.317 -3.730 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.931 -1.685 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.812 -0.764 -2.791 1.00 0.00 H new ATOM 0 HG SER A 61 -12.167 -1.264 -4.643 1.00 0.00 H new ATOM 601 N ALA A 62 -9.883 -4.079 -5.053 1.00 0.00 N ATOM 602 CA ALA A 62 -9.664 -4.346 -6.464 1.00 0.00 C ATOM 603 C ALA A 62 -10.957 -4.078 -7.237 1.00 0.00 C ATOM 604 O ALA A 62 -12.015 -4.596 -6.882 1.00 0.00 O ATOM 605 CB ALA A 62 -9.166 -5.782 -6.641 1.00 0.00 C ATOM 0 H ALA A 62 -9.443 -4.746 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.897 -3.683 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.002 -5.982 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.230 -5.912 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.911 -6.476 -6.252 1.00 0.00 H new ATOM 611 N GLU A 63 -10.830 -3.268 -8.278 1.00 0.00 N ATOM 612 CA GLU A 63 -11.975 -2.925 -9.103 1.00 0.00 C ATOM 613 C GLU A 63 -11.745 -3.379 -10.546 1.00 0.00 C ATOM 614 O GLU A 63 -12.607 -3.195 -11.404 1.00 0.00 O ATOM 615 CB GLU A 63 -12.266 -1.424 -9.040 1.00 0.00 C ATOM 616 CG GLU A 63 -11.122 -0.617 -9.657 1.00 0.00 C ATOM 617 CD GLU A 63 -11.649 0.375 -10.696 1.00 0.00 C ATOM 618 OE1 GLU A 63 -12.821 0.784 -10.547 1.00 0.00 O ATOM 619 OE2 GLU A 63 -10.868 0.703 -11.615 1.00 0.00 O ATOM 0 H GLU A 63 -9.951 -2.839 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.848 -3.448 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.195 -1.208 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.411 -1.121 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.588 -0.079 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.406 -1.293 -10.125 1.00 0.00 H new ATOM 626 N SER A 64 -10.577 -3.963 -10.770 1.00 0.00 N ATOM 627 CA SER A 64 -10.222 -4.445 -12.094 1.00 0.00 C ATOM 628 C SER A 64 -8.704 -4.600 -12.205 1.00 0.00 C ATOM 629 O SER A 64 -7.958 -3.664 -11.922 1.00 0.00 O ATOM 630 CB SER A 64 -10.740 -3.500 -13.180 1.00 0.00 C ATOM 631 OG SER A 64 -11.974 -3.947 -13.734 1.00 0.00 O ATOM 0 H SER A 64 -9.864 -4.113 -10.056 1.00 0.00 H new ATOM 0 HA SER A 64 -10.691 -5.418 -12.242 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.872 -2.503 -12.760 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.996 -3.416 -13.972 1.00 0.00 H new ATOM 0 HG SER A 64 -12.691 -3.824 -13.077 1.00 0.00 H new ATOM 637 N VAL A 65 -8.292 -5.790 -12.618 1.00 0.00 N ATOM 638 CA VAL A 65 -6.876 -6.080 -12.770 1.00 0.00 C ATOM 639 C VAL A 65 -6.167 -4.851 -13.341 1.00 0.00 C ATOM 640 O VAL A 65 -6.729 -4.133 -14.166 1.00 0.00 O ATOM 641 CB VAL A 65 -6.688 -7.332 -13.628 1.00 0.00 C ATOM 642 CG1 VAL A 65 -7.601 -8.465 -13.154 1.00 0.00 C ATOM 643 CG2 VAL A 65 -6.923 -7.023 -15.108 1.00 0.00 C ATOM 0 H VAL A 65 -8.914 -6.564 -12.852 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.424 -6.295 -11.802 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.656 -7.663 -13.514 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.447 -9.343 -13.781 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.366 -8.713 -12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.641 -8.147 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.783 -7.930 -15.696 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.940 -6.655 -15.246 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.214 -6.264 -15.438 1.00 0.00 H new ATOM 653 N GLY A 66 -4.942 -4.647 -12.879 1.00 0.00 N ATOM 654 CA GLY A 66 -4.149 -3.517 -13.334 1.00 0.00 C ATOM 655 C GLY A 66 -4.653 -2.211 -12.717 1.00 0.00 C ATOM 656 O GLY A 66 -4.181 -1.131 -13.070 1.00 0.00 O ATOM 0 H GLY A 66 -4.479 -5.245 -12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.104 -3.670 -13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.193 -3.451 -14.421 1.00 0.00 H new ATOM 660 N GLU A 67 -5.604 -2.352 -11.806 1.00 0.00 N ATOM 661 CA GLU A 67 -6.177 -1.196 -11.136 1.00 0.00 C ATOM 662 C GLU A 67 -7.054 -1.642 -9.965 1.00 0.00 C ATOM 663 O GLU A 67 -8.158 -2.145 -10.167 1.00 0.00 O ATOM 664 CB GLU A 67 -6.971 -0.332 -12.118 1.00 0.00 C ATOM 665 CG GLU A 67 -6.609 1.147 -11.963 1.00 0.00 C ATOM 666 CD GLU A 67 -7.447 2.017 -12.903 1.00 0.00 C ATOM 667 OE1 GLU A 67 -7.962 1.452 -13.892 1.00 0.00 O ATOM 668 OE2 GLU A 67 -7.553 3.228 -12.610 1.00 0.00 O ATOM 0 H GLU A 67 -5.993 -3.249 -11.516 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.363 -0.587 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.768 -0.655 -13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.039 -0.469 -11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.771 1.459 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.550 1.290 -12.176 1.00 0.00 H new ATOM 675 N VAL A 68 -6.529 -1.441 -8.765 1.00 0.00 N ATOM 676 CA VAL A 68 -7.250 -1.815 -7.560 1.00 0.00 C ATOM 677 C VAL A 68 -7.297 -0.620 -6.606 1.00 0.00 C ATOM 678 O VAL A 68 -6.575 0.358 -6.795 1.00 0.00 O ATOM 679 CB VAL A 68 -6.613 -3.057 -6.933 1.00 0.00 C ATOM 680 CG1 VAL A 68 -6.813 -4.285 -7.824 1.00 0.00 C ATOM 681 CG2 VAL A 68 -5.128 -2.824 -6.645 1.00 0.00 C ATOM 0 H VAL A 68 -5.613 -1.024 -8.601 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.280 -2.080 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.113 -3.248 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.351 -5.154 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.879 -4.469 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.352 -4.109 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.699 -3.721 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.608 -2.596 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.018 -1.988 -5.954 1.00 0.00 H new ATOM 691 N TYR A 69 -8.152 -0.739 -5.601 1.00 0.00 N ATOM 692 CA TYR A 69 -8.302 0.319 -4.617 1.00 0.00 C ATOM 693 C TYR A 69 -7.795 -0.132 -3.245 1.00 0.00 C ATOM 694 O TYR A 69 -7.551 -1.318 -3.029 1.00 0.00 O ATOM 695 CB TYR A 69 -9.803 0.600 -4.525 1.00 0.00 C ATOM 696 CG TYR A 69 -10.308 1.621 -5.547 1.00 0.00 C ATOM 697 CD1 TYR A 69 -9.761 2.887 -5.586 1.00 0.00 C ATOM 698 CD2 TYR A 69 -11.311 1.275 -6.429 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.237 3.848 -6.547 1.00 0.00 C ATOM 700 CE2 TYR A 69 -11.787 2.235 -7.391 1.00 0.00 C ATOM 701 CZ TYR A 69 -11.226 3.474 -7.402 1.00 0.00 C ATOM 702 OH TYR A 69 -11.675 4.382 -8.311 1.00 0.00 O ATOM 0 H TYR A 69 -8.748 -1.552 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.729 1.199 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.346 -0.335 -4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.034 0.960 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.976 3.157 -4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.739 0.284 -6.398 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.818 4.843 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -12.571 1.977 -8.087 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.381 3.977 -8.857 1.00 0.00 H new ATOM 712 N ILE A 70 -7.651 0.839 -2.355 1.00 0.00 N ATOM 713 CA ILE A 70 -7.177 0.556 -1.010 1.00 0.00 C ATOM 714 C ILE A 70 -7.839 1.524 -0.027 1.00 0.00 C ATOM 715 O ILE A 70 -7.851 2.733 -0.254 1.00 0.00 O ATOM 716 CB ILE A 70 -5.648 0.583 -0.964 1.00 0.00 C ATOM 717 CG1 ILE A 70 -5.053 -0.477 -1.894 1.00 0.00 C ATOM 718 CG2 ILE A 70 -5.140 0.436 0.471 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.524 -0.453 -1.846 1.00 0.00 C ATOM 0 H ILE A 70 -7.854 1.822 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.464 -0.451 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.312 1.555 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.414 -1.464 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.391 -0.301 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.050 0.458 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.522 1.257 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.485 -0.512 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.127 -1.216 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.165 0.527 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.189 -0.654 -0.828 1.00 0.00 H new ATOM 731 N LYS A 71 -8.373 0.957 1.044 1.00 0.00 N ATOM 732 CA LYS A 71 -9.035 1.754 2.062 1.00 0.00 C ATOM 733 C LYS A 71 -8.739 1.161 3.441 1.00 0.00 C ATOM 734 O LYS A 71 -9.443 0.262 3.898 1.00 0.00 O ATOM 735 CB LYS A 71 -10.528 1.883 1.755 1.00 0.00 C ATOM 736 CG LYS A 71 -11.095 3.185 2.325 1.00 0.00 C ATOM 737 CD LYS A 71 -12.233 2.903 3.309 1.00 0.00 C ATOM 738 CE LYS A 71 -11.692 2.351 4.629 1.00 0.00 C ATOM 739 NZ LYS A 71 -10.677 3.266 5.197 1.00 0.00 N ATOM 0 H LYS A 71 -8.361 -0.046 1.229 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.645 2.772 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.685 1.855 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.064 1.033 2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.304 3.741 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.459 3.814 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.792 3.820 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.929 2.189 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.510 2.221 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.252 1.367 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.811 3.337 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.726 2.897 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.780 4.208 4.768 1.00 0.00 H new ATOM 753 N SER A 72 -7.696 1.688 4.065 1.00 0.00 N ATOM 754 CA SER A 72 -7.298 1.221 5.383 1.00 0.00 C ATOM 755 C SER A 72 -8.437 1.440 6.381 1.00 0.00 C ATOM 756 O SER A 72 -8.444 2.427 7.115 1.00 0.00 O ATOM 757 CB SER A 72 -6.031 1.934 5.860 1.00 0.00 C ATOM 758 OG SER A 72 -5.785 1.715 7.246 1.00 0.00 O ATOM 0 H SER A 72 -7.114 2.434 3.683 1.00 0.00 H new ATOM 0 HA SER A 72 -7.080 0.155 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.177 1.583 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.125 3.004 5.673 1.00 0.00 H new ATOM 0 HG SER A 72 -5.251 0.901 7.359 1.00 0.00 H new ATOM 764 N THR A 73 -9.373 0.502 6.376 1.00 0.00 N ATOM 765 CA THR A 73 -10.514 0.579 7.272 1.00 0.00 C ATOM 766 C THR A 73 -10.051 0.860 8.703 1.00 0.00 C ATOM 767 O THR A 73 -9.515 -0.023 9.370 1.00 0.00 O ATOM 768 CB THR A 73 -11.311 -0.720 7.136 1.00 0.00 C ATOM 769 OG1 THR A 73 -11.977 -0.852 8.388 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.411 -1.954 7.060 1.00 0.00 C ATOM 0 H THR A 73 -9.364 -0.315 5.766 1.00 0.00 H new ATOM 0 HA THR A 73 -11.169 1.409 7.007 1.00 0.00 H new ATOM 0 HB THR A 73 -11.935 -0.671 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.519 -1.669 8.386 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.027 -2.848 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.753 -1.872 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.810 -2.023 7.967 1.00 0.00 H new ATOM 778 N GLU A 74 -10.275 2.093 9.132 1.00 0.00 N ATOM 779 CA GLU A 74 -9.887 2.502 10.471 1.00 0.00 C ATOM 780 C GLU A 74 -10.077 4.010 10.642 1.00 0.00 C ATOM 781 O GLU A 74 -10.402 4.479 11.732 1.00 0.00 O ATOM 782 CB GLU A 74 -8.444 2.094 10.773 1.00 0.00 C ATOM 783 CG GLU A 74 -8.363 1.280 12.066 1.00 0.00 C ATOM 784 CD GLU A 74 -9.327 0.092 12.028 1.00 0.00 C ATOM 785 OE1 GLU A 74 -8.912 -0.959 11.495 1.00 0.00 O ATOM 786 OE2 GLU A 74 -10.458 0.263 12.532 1.00 0.00 O ATOM 0 H GLU A 74 -10.721 2.823 8.576 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.532 1.991 11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.047 1.507 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.821 2.984 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.344 0.921 12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.600 1.918 12.917 1.00 0.00 H new ATOM 793 N THR A 75 -9.867 4.729 9.549 1.00 0.00 N ATOM 794 CA THR A 75 -10.011 6.174 9.564 1.00 0.00 C ATOM 795 C THR A 75 -10.390 6.687 8.173 1.00 0.00 C ATOM 796 O THR A 75 -9.937 7.752 7.755 1.00 0.00 O ATOM 797 CB THR A 75 -8.709 6.774 10.098 1.00 0.00 C ATOM 798 OG1 THR A 75 -8.841 8.170 9.848 1.00 0.00 O ATOM 799 CG2 THR A 75 -7.491 6.360 9.270 1.00 0.00 C ATOM 0 H THR A 75 -9.598 4.337 8.647 1.00 0.00 H new ATOM 0 HA THR A 75 -10.823 6.483 10.223 1.00 0.00 H new ATOM 0 HB THR A 75 -8.566 6.466 11.134 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.761 8.339 8.886 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.594 6.813 9.691 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.392 5.275 9.286 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.619 6.697 8.241 1.00 0.00 H new ATOM 807 N GLY A 76 -11.218 5.906 7.495 1.00 0.00 N ATOM 808 CA GLY A 76 -11.663 6.268 6.160 1.00 0.00 C ATOM 809 C GLY A 76 -10.534 6.926 5.365 1.00 0.00 C ATOM 810 O GLY A 76 -10.650 8.080 4.955 1.00 0.00 O ATOM 0 H GLY A 76 -11.592 5.024 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.011 5.378 5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.510 6.950 6.228 1.00 0.00 H new ATOM 814 N GLN A 77 -9.468 6.165 5.171 1.00 0.00 N ATOM 815 CA GLN A 77 -8.319 6.660 4.433 1.00 0.00 C ATOM 816 C GLN A 77 -8.045 5.771 3.218 1.00 0.00 C ATOM 817 O GLN A 77 -7.880 4.559 3.355 1.00 0.00 O ATOM 818 CB GLN A 77 -7.086 6.751 5.334 1.00 0.00 C ATOM 819 CG GLN A 77 -6.549 8.183 5.385 1.00 0.00 C ATOM 820 CD GLN A 77 -6.080 8.543 6.796 1.00 0.00 C ATOM 821 OE1 GLN A 77 -5.447 7.761 7.486 1.00 0.00 O ATOM 822 NE2 GLN A 77 -6.425 9.767 7.185 1.00 0.00 N ATOM 0 H GLN A 77 -9.376 5.208 5.512 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.545 7.666 4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.341 6.418 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.310 6.081 4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.721 8.290 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.326 8.878 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.956 10.371 6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.159 10.102 8.111 1.00 0.00 H new ATOM 831 N TYR A 78 -8.005 6.407 2.056 1.00 0.00 N ATOM 832 CA TYR A 78 -7.754 5.689 0.818 1.00 0.00 C ATOM 833 C TYR A 78 -6.295 5.839 0.383 1.00 0.00 C ATOM 834 O TYR A 78 -5.814 6.954 0.186 1.00 0.00 O ATOM 835 CB TYR A 78 -8.657 6.335 -0.235 1.00 0.00 C ATOM 836 CG TYR A 78 -10.093 5.807 -0.230 1.00 0.00 C ATOM 837 CD1 TYR A 78 -11.042 6.396 0.581 1.00 0.00 C ATOM 838 CD2 TYR A 78 -10.440 4.743 -1.038 1.00 0.00 C ATOM 839 CE1 TYR A 78 -12.394 5.900 0.585 1.00 0.00 C ATOM 840 CE2 TYR A 78 -11.792 4.247 -1.033 1.00 0.00 C ATOM 841 CZ TYR A 78 -12.702 4.850 -0.222 1.00 0.00 C ATOM 842 OH TYR A 78 -13.979 4.381 -0.218 1.00 0.00 O ATOM 0 H TYR A 78 -8.142 7.412 1.946 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.954 4.625 0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.676 7.412 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.223 6.170 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.771 7.229 1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.698 4.283 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -13.146 6.352 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.077 3.415 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 78 -14.054 3.630 -0.843 1.00 0.00 H new ATOM 852 N LEU A 79 -5.631 4.701 0.245 1.00 0.00 N ATOM 853 CA LEU A 79 -4.237 4.692 -0.164 1.00 0.00 C ATOM 854 C LEU A 79 -4.116 5.299 -1.563 1.00 0.00 C ATOM 855 O LEU A 79 -4.902 4.979 -2.453 1.00 0.00 O ATOM 856 CB LEU A 79 -3.655 3.281 -0.053 1.00 0.00 C ATOM 857 CG LEU A 79 -2.237 3.183 0.512 1.00 0.00 C ATOM 858 CD1 LEU A 79 -1.412 4.418 0.142 1.00 0.00 C ATOM 859 CD2 LEU A 79 -2.264 2.944 2.023 1.00 0.00 C ATOM 0 H LEU A 79 -6.033 3.778 0.409 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.640 5.312 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.317 2.685 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.662 2.828 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.748 2.321 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.408 4.322 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.350 4.503 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.889 5.310 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.243 2.878 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.779 3.770 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.789 2.013 2.235 1.00 0.00 H new ATOM 871 N ALA A 80 -3.125 6.166 -1.713 1.00 0.00 N ATOM 872 CA ALA A 80 -2.891 6.821 -2.989 1.00 0.00 C ATOM 873 C ALA A 80 -1.413 7.202 -3.098 1.00 0.00 C ATOM 874 O ALA A 80 -0.636 6.957 -2.177 1.00 0.00 O ATOM 875 CB ALA A 80 -3.817 8.032 -3.118 1.00 0.00 C ATOM 0 H ALA A 80 -2.475 6.430 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.119 6.147 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.642 8.524 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.855 7.704 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.615 8.733 -2.308 1.00 0.00 H new ATOM 881 N MET A 81 -1.071 7.795 -4.232 1.00 0.00 N ATOM 882 CA MET A 81 0.300 8.212 -4.474 1.00 0.00 C ATOM 883 C MET A 81 0.344 9.491 -5.312 1.00 0.00 C ATOM 884 O MET A 81 -0.036 9.484 -6.482 1.00 0.00 O ATOM 885 CB MET A 81 1.052 7.097 -5.203 1.00 0.00 C ATOM 886 CG MET A 81 2.228 6.590 -4.365 1.00 0.00 C ATOM 887 SD MET A 81 2.502 4.856 -4.686 1.00 0.00 S ATOM 888 CE MET A 81 4.213 4.717 -4.196 1.00 0.00 C ATOM 0 H MET A 81 -1.719 7.997 -4.993 1.00 0.00 H new ATOM 0 HA MET A 81 0.774 8.413 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.371 6.273 -5.416 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.416 7.466 -6.162 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.127 7.159 -4.603 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.024 6.745 -3.306 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.840 4.628 -5.083 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.504 5.604 -3.634 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.342 3.833 -3.571 1.00 0.00 H new ATOM 898 N ASP A 82 0.812 10.558 -4.682 1.00 0.00 N ATOM 899 CA ASP A 82 0.911 11.842 -5.355 1.00 0.00 C ATOM 900 C ASP A 82 2.048 11.791 -6.378 1.00 0.00 C ATOM 901 O ASP A 82 2.762 10.793 -6.467 1.00 0.00 O ATOM 902 CB ASP A 82 1.220 12.963 -4.361 1.00 0.00 C ATOM 903 CG ASP A 82 0.172 13.162 -3.264 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.022 13.231 -3.626 1.00 0.00 O ATOM 905 OD2 ASP A 82 0.589 13.240 -2.088 1.00 0.00 O ATOM 0 H ASP A 82 1.127 10.560 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.045 12.043 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.181 12.756 -3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.329 13.897 -4.912 1.00 0.00 H new ATOM 910 N THR A 83 2.180 12.878 -7.123 1.00 0.00 N ATOM 911 CA THR A 83 3.217 12.969 -8.136 1.00 0.00 C ATOM 912 C THR A 83 4.589 12.684 -7.522 1.00 0.00 C ATOM 913 O THR A 83 5.535 12.351 -8.234 1.00 0.00 O ATOM 914 CB THR A 83 3.120 14.349 -8.791 1.00 0.00 C ATOM 915 OG1 THR A 83 1.909 14.292 -9.541 1.00 0.00 O ATOM 916 CG2 THR A 83 4.203 14.574 -9.847 1.00 0.00 C ATOM 0 H THR A 83 1.586 13.703 -7.045 1.00 0.00 H new ATOM 0 HA THR A 83 3.079 12.215 -8.911 1.00 0.00 H new ATOM 0 HB THR A 83 3.196 15.121 -8.025 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.766 15.147 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.088 15.568 -10.280 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.186 14.491 -9.383 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.108 13.823 -10.632 1.00 0.00 H new ATOM 924 N ASP A 84 4.653 12.824 -6.206 1.00 0.00 N ATOM 925 CA ASP A 84 5.893 12.586 -5.487 1.00 0.00 C ATOM 926 C ASP A 84 5.960 11.116 -5.067 1.00 0.00 C ATOM 927 O ASP A 84 6.790 10.740 -4.241 1.00 0.00 O ATOM 928 CB ASP A 84 5.971 13.443 -4.223 1.00 0.00 C ATOM 929 CG ASP A 84 6.587 14.830 -4.418 1.00 0.00 C ATOM 930 OD1 ASP A 84 7.834 14.896 -4.461 1.00 0.00 O ATOM 931 OD2 ASP A 84 5.796 15.793 -4.520 1.00 0.00 O ATOM 0 H ASP A 84 3.866 13.099 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 84 6.720 12.844 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.965 13.562 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.552 12.906 -3.474 1.00 0.00 H new ATOM 936 N GLY A 85 5.074 10.325 -5.655 1.00 0.00 N ATOM 937 CA GLY A 85 5.022 8.905 -5.351 1.00 0.00 C ATOM 938 C GLY A 85 5.078 8.665 -3.841 1.00 0.00 C ATOM 939 O GLY A 85 5.485 7.593 -3.395 1.00 0.00 O ATOM 0 H GLY A 85 4.387 10.640 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.106 8.476 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.855 8.395 -5.835 1.00 0.00 H new ATOM 943 N LEU A 86 4.665 9.680 -3.097 1.00 0.00 N ATOM 944 CA LEU A 86 4.663 9.592 -1.646 1.00 0.00 C ATOM 945 C LEU A 86 3.290 9.115 -1.170 1.00 0.00 C ATOM 946 O LEU A 86 2.320 9.870 -1.205 1.00 0.00 O ATOM 947 CB LEU A 86 5.101 10.921 -1.029 1.00 0.00 C ATOM 948 CG LEU A 86 5.733 10.839 0.362 1.00 0.00 C ATOM 949 CD1 LEU A 86 5.869 12.229 0.986 1.00 0.00 C ATOM 950 CD2 LEU A 86 4.953 9.880 1.263 1.00 0.00 C ATOM 0 H LEU A 86 4.329 10.568 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 86 5.391 8.855 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.815 11.394 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.232 11.577 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 86 6.740 10.434 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.321 12.142 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.500 12.852 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.883 12.685 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.423 9.840 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.926 10.231 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.953 8.884 0.820 1.00 0.00 H new ATOM 962 N LEU A 87 3.251 7.864 -0.735 1.00 0.00 N ATOM 963 CA LEU A 87 2.013 7.277 -0.252 1.00 0.00 C ATOM 964 C LEU A 87 1.238 8.323 0.552 1.00 0.00 C ATOM 965 O LEU A 87 1.722 8.809 1.573 1.00 0.00 O ATOM 966 CB LEU A 87 2.297 5.990 0.524 1.00 0.00 C ATOM 967 CG LEU A 87 2.603 4.751 -0.320 1.00 0.00 C ATOM 968 CD1 LEU A 87 3.974 4.869 -0.988 1.00 0.00 C ATOM 969 CD2 LEU A 87 2.480 3.475 0.515 1.00 0.00 C ATOM 0 H LEU A 87 4.058 7.240 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 87 1.379 6.983 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.141 6.169 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.435 5.772 1.155 1.00 0.00 H new ATOM 0 HG LEU A 87 1.861 4.687 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.167 3.976 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.989 5.746 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.744 4.970 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.703 2.609 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.185 3.514 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.465 3.391 0.904 1.00 0.00 H new ATOM 981 N TYR A 88 0.048 8.637 0.063 1.00 0.00 N ATOM 982 CA TYR A 88 -0.798 9.616 0.724 1.00 0.00 C ATOM 983 C TYR A 88 -2.267 9.188 0.683 1.00 0.00 C ATOM 984 O TYR A 88 -2.631 8.277 -0.059 1.00 0.00 O ATOM 985 CB TYR A 88 -0.637 10.916 -0.067 1.00 0.00 C ATOM 986 CG TYR A 88 -1.616 11.060 -1.234 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.340 10.456 -2.445 1.00 0.00 C ATOM 988 CD2 TYR A 88 -2.774 11.793 -1.077 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.262 10.592 -3.543 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.695 11.929 -2.175 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.394 11.322 -3.354 1.00 0.00 C ATOM 992 OH TYR A 88 -4.264 11.450 -4.391 1.00 0.00 O ATOM 0 H TYR A 88 -0.351 8.231 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.513 9.725 1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.768 11.760 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.381 10.971 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.433 9.882 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.990 12.265 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.059 10.125 -4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.605 12.500 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.028 11.997 -4.112 1.00 0.00 H new ATOM 1002 N GLY A 89 -3.070 9.865 1.490 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.490 9.566 1.556 1.00 0.00 C ATOM 1004 C GLY A 89 -5.319 10.709 0.966 1.00 0.00 C ATOM 1005 O GLY A 89 -4.872 11.855 0.938 1.00 0.00 O ATOM 0 H GLY A 89 -2.764 10.620 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.697 8.644 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.782 9.398 2.593 1.00 0.00 H new ATOM 1009 N SER A 90 -6.512 10.358 0.509 1.00 0.00 N ATOM 1010 CA SER A 90 -7.407 11.340 -0.079 1.00 0.00 C ATOM 1011 C SER A 90 -8.848 10.827 -0.034 1.00 0.00 C ATOM 1012 O SER A 90 -9.092 9.633 -0.203 1.00 0.00 O ATOM 1013 CB SER A 90 -7.003 11.661 -1.519 1.00 0.00 C ATOM 1014 OG SER A 90 -6.864 13.063 -1.734 1.00 0.00 O ATOM 0 H SER A 90 -6.880 9.407 0.534 1.00 0.00 H new ATOM 0 HA SER A 90 -7.336 12.259 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.061 11.163 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.752 11.262 -2.203 1.00 0.00 H new ATOM 0 HG SER A 90 -6.604 13.227 -2.664 1.00 0.00 H new ATOM 1020 N GLN A 91 -9.766 11.755 0.196 1.00 0.00 N ATOM 1021 CA GLN A 91 -11.176 11.412 0.266 1.00 0.00 C ATOM 1022 C GLN A 91 -11.765 11.300 -1.142 1.00 0.00 C ATOM 1023 O GLN A 91 -12.970 11.113 -1.301 1.00 0.00 O ATOM 1024 CB GLN A 91 -11.948 12.433 1.104 1.00 0.00 C ATOM 1025 CG GLN A 91 -13.399 11.994 1.303 1.00 0.00 C ATOM 1026 CD GLN A 91 -14.370 13.031 0.734 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -15.043 12.809 -0.259 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -14.403 14.172 1.416 1.00 0.00 N ATOM 0 H GLN A 91 -9.560 12.744 0.336 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.271 10.443 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.464 12.553 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.923 13.406 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.562 11.033 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.597 11.850 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.813 14.291 2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.019 14.928 1.116 1.00 0.00 H new ATOM 1037 N THR A 92 -10.887 11.420 -2.127 1.00 0.00 N ATOM 1038 CA THR A 92 -11.306 11.335 -3.516 1.00 0.00 C ATOM 1039 C THR A 92 -10.665 10.121 -4.193 1.00 0.00 C ATOM 1040 O THR A 92 -9.559 10.213 -4.723 1.00 0.00 O ATOM 1041 CB THR A 92 -10.961 12.661 -4.196 1.00 0.00 C ATOM 1042 OG1 THR A 92 -9.553 12.589 -4.406 1.00 0.00 O ATOM 1043 CG2 THR A 92 -11.138 13.861 -3.263 1.00 0.00 C ATOM 0 H THR A 92 -9.888 11.575 -1.991 1.00 0.00 H new ATOM 0 HA THR A 92 -12.382 11.182 -3.596 1.00 0.00 H new ATOM 0 HB THR A 92 -11.589 12.790 -5.077 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.356 11.892 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.880 14.777 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.175 13.914 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.485 13.748 -2.397 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.407 8.982 -4.151 1.00 0.00 N ATOM 1052 CA PRO A 93 -10.923 7.751 -4.754 1.00 0.00 C ATOM 1053 C PRO A 93 -11.032 7.808 -6.279 1.00 0.00 C ATOM 1054 O PRO A 93 -12.121 7.664 -6.833 1.00 0.00 O ATOM 1055 CB PRO A 93 -11.773 6.652 -4.138 1.00 0.00 C ATOM 1056 CG PRO A 93 -13.002 7.343 -3.570 1.00 0.00 C ATOM 1057 CD PRO A 93 -12.721 8.836 -3.532 1.00 0.00 C ATOM 0 HA PRO A 93 -9.865 7.574 -4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.053 5.910 -4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.225 6.126 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.876 7.135 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.221 6.970 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.480 9.396 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.721 9.213 -2.509 1.00 0.00 H new ATOM 1065 N ASN A 94 -9.888 8.017 -6.914 1.00 0.00 N ATOM 1066 CA ASN A 94 -9.841 8.095 -8.364 1.00 0.00 C ATOM 1067 C ASN A 94 -8.568 7.411 -8.866 1.00 0.00 C ATOM 1068 O ASN A 94 -7.830 6.813 -8.084 1.00 0.00 O ATOM 1069 CB ASN A 94 -9.815 9.549 -8.838 1.00 0.00 C ATOM 1070 CG ASN A 94 -11.126 10.260 -8.497 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -11.906 10.628 -9.361 1.00 0.00 O ATOM 1072 ND2 ASN A 94 -11.325 10.434 -7.193 1.00 0.00 N ATOM 0 H ASN A 94 -8.987 8.135 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.732 7.604 -8.757 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.981 10.073 -8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.649 9.581 -9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.171 10.900 -6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.632 10.102 -6.523 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.348 7.522 -10.168 1.00 0.00 N ATOM 1080 CA GLU A 95 -7.176 6.922 -10.783 1.00 0.00 C ATOM 1081 C GLU A 95 -5.964 7.057 -9.860 1.00 0.00 C ATOM 1082 O GLU A 95 -5.075 6.207 -9.868 1.00 0.00 O ATOM 1083 CB GLU A 95 -6.896 7.546 -12.152 1.00 0.00 C ATOM 1084 CG GLU A 95 -7.577 6.751 -13.267 1.00 0.00 C ATOM 1085 CD GLU A 95 -8.922 7.375 -13.644 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -8.890 8.470 -14.247 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -9.951 6.744 -13.320 1.00 0.00 O ATOM 0 H GLU A 95 -8.962 8.019 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.373 5.861 -10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.252 8.576 -12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.821 7.578 -12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.929 6.719 -14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.728 5.721 -12.944 1.00 0.00 H new ATOM 1094 N GLU A 96 -5.967 8.132 -9.085 1.00 0.00 N ATOM 1095 CA GLU A 96 -4.879 8.390 -8.158 1.00 0.00 C ATOM 1096 C GLU A 96 -4.924 7.394 -6.997 1.00 0.00 C ATOM 1097 O GLU A 96 -3.936 6.717 -6.716 1.00 0.00 O ATOM 1098 CB GLU A 96 -4.923 9.831 -7.646 1.00 0.00 C ATOM 1099 CG GLU A 96 -3.670 10.164 -6.834 1.00 0.00 C ATOM 1100 CD GLU A 96 -3.384 11.667 -6.858 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -4.335 12.421 -7.157 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -2.221 12.028 -6.577 1.00 0.00 O ATOM 0 H GLU A 96 -6.706 8.835 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.937 8.258 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.007 10.517 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.810 9.974 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.801 9.832 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.816 9.621 -7.238 1.00 0.00 H new ATOM 1109 N CYS A 97 -6.080 7.337 -6.353 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.267 6.435 -5.229 1.00 0.00 C ATOM 1111 C CYS A 97 -5.960 5.012 -5.699 1.00 0.00 C ATOM 1112 O CYS A 97 -5.257 4.268 -5.017 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.674 6.550 -4.639 1.00 0.00 C ATOM 1114 SG CYS A 97 -8.011 5.126 -3.541 1.00 0.00 S ATOM 0 H CYS A 97 -6.897 7.901 -6.588 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.584 6.706 -4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.768 7.481 -4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.412 6.584 -5.441 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.920 4.789 -2.920 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.503 4.676 -6.860 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.296 3.355 -7.428 1.00 0.00 C ATOM 1122 C LEU A 98 -4.813 2.991 -7.335 1.00 0.00 C ATOM 1123 O LEU A 98 -3.982 3.836 -7.004 1.00 0.00 O ATOM 1124 CB LEU A 98 -6.856 3.290 -8.851 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.220 2.613 -9.004 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -8.934 3.099 -10.267 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -8.083 1.090 -8.973 1.00 0.00 C ATOM 0 H LEU A 98 -7.086 5.296 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.845 2.605 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.931 4.306 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.138 2.763 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.840 2.897 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.901 2.603 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.084 4.177 -10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.327 2.864 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.067 0.634 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.439 0.766 -9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.646 0.783 -8.023 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.525 1.732 -7.632 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.157 1.246 -7.585 1.00 0.00 C ATOM 1141 C PHE A 99 -2.937 0.128 -8.606 1.00 0.00 C ATOM 1142 O PHE A 99 -3.314 -1.018 -8.369 1.00 0.00 O ATOM 1143 CB PHE A 99 -2.928 0.687 -6.179 1.00 0.00 C ATOM 1144 CG PHE A 99 -1.863 1.437 -5.377 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.697 1.807 -5.973 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -2.081 1.735 -4.068 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.291 2.503 -5.229 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -1.092 2.431 -3.324 1.00 0.00 C ATOM 1149 CZ PHE A 99 0.073 2.801 -3.920 1.00 0.00 C ATOM 0 H PHE A 99 -5.216 1.034 -7.906 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.467 2.057 -7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.869 0.716 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.638 -0.361 -6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.523 1.571 -7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.006 1.442 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.216 2.796 -5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.265 2.667 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.825 3.331 -3.354 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.327 0.501 -9.722 1.00 0.00 N ATOM 1160 CA LEU A 100 -2.052 -0.455 -10.781 1.00 0.00 C ATOM 1161 C LEU A 100 -1.527 -1.754 -10.165 1.00 0.00 C ATOM 1162 O LEU A 100 -0.335 -1.874 -9.883 1.00 0.00 O ATOM 1163 CB LEU A 100 -1.113 0.155 -11.823 1.00 0.00 C ATOM 1164 CG LEU A 100 -1.692 0.325 -13.229 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -1.053 1.517 -13.945 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -1.559 -0.967 -14.037 1.00 0.00 C ATOM 0 H LEU A 100 -2.015 1.453 -9.916 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.968 -0.703 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.790 1.132 -11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.223 -0.470 -11.891 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.757 0.538 -13.136 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.482 1.615 -14.942 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.243 2.427 -13.377 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.022 1.358 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.978 -0.819 -15.032 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.506 -1.236 -14.123 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.098 -1.769 -13.532 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.441 -2.693 -9.975 1.00 0.00 N ATOM 1179 CA GLU A 101 -2.085 -3.978 -9.398 1.00 0.00 C ATOM 1180 C GLU A 101 -2.199 -5.083 -10.451 1.00 0.00 C ATOM 1181 O GLU A 101 -3.029 -5.000 -11.355 1.00 0.00 O ATOM 1182 CB GLU A 101 -2.954 -4.292 -8.178 1.00 0.00 C ATOM 1183 CG GLU A 101 -2.511 -5.594 -7.509 1.00 0.00 C ATOM 1184 CD GLU A 101 -3.471 -6.738 -7.845 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -4.676 -6.442 -7.991 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -2.977 -7.881 -7.947 1.00 0.00 O ATOM 0 H GLU A 101 -3.428 -2.590 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.049 -3.928 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.892 -3.472 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.998 -4.372 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.504 -5.851 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.468 -5.456 -6.429 1.00 0.00 H new ATOM 1193 N ARG A 102 -1.354 -6.091 -10.298 1.00 0.00 N ATOM 1194 CA ARG A 102 -1.349 -7.211 -11.225 1.00 0.00 C ATOM 1195 C ARG A 102 -1.128 -8.523 -10.470 1.00 0.00 C ATOM 1196 O ARG A 102 -2.084 -9.153 -10.020 1.00 0.00 O ATOM 1197 CB ARG A 102 -0.254 -7.047 -12.281 1.00 0.00 C ATOM 1198 CG ARG A 102 0.825 -6.073 -11.805 1.00 0.00 C ATOM 1199 CD ARG A 102 0.563 -4.662 -12.336 1.00 0.00 C ATOM 1200 NE ARG A 102 1.770 -3.823 -12.162 1.00 0.00 N ATOM 1201 CZ ARG A 102 2.921 -4.017 -12.819 1.00 0.00 C ATOM 1202 NH1 ARG A 102 3.029 -5.022 -13.699 1.00 0.00 N ATOM 1203 NH2 ARG A 102 3.965 -3.206 -12.597 1.00 0.00 N ATOM 0 H ARG A 102 -0.668 -6.156 -9.546 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.318 -7.234 -11.724 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.196 -8.016 -12.497 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.692 -6.684 -13.211 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.850 -6.057 -10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.803 -6.416 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.290 -4.706 -13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.279 -4.216 -11.807 1.00 0.00 H new ATOM 0 HE ARG A 102 1.722 -3.048 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.235 -5.639 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.905 -5.170 -14.199 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.883 -2.441 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.841 -3.354 -13.098 1.00 0.00 H new ATOM 1217 N LEU A 103 0.138 -8.896 -10.355 1.00 0.00 N ATOM 1218 CA LEU A 103 0.497 -10.122 -9.662 1.00 0.00 C ATOM 1219 C LEU A 103 2.015 -10.309 -9.718 1.00 0.00 C ATOM 1220 O LEU A 103 2.602 -10.324 -10.799 1.00 0.00 O ATOM 1221 CB LEU A 103 -0.290 -11.307 -10.227 1.00 0.00 C ATOM 1222 CG LEU A 103 -0.986 -12.201 -9.200 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -1.251 -13.594 -9.775 1.00 0.00 C ATOM 1224 CD2 LEU A 103 -0.188 -12.262 -7.896 1.00 0.00 C ATOM 0 H LEU A 103 0.928 -8.371 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 103 0.222 -10.059 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.044 -10.922 -10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.391 -11.924 -10.813 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.955 -11.760 -8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.747 -14.209 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.890 -13.509 -10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.305 -14.057 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.705 -12.904 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.804 -12.666 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.094 -11.259 -7.480 1.00 0.00 H new ATOM 1236 N GLU A 104 2.606 -10.447 -8.541 1.00 0.00 N ATOM 1237 CA GLU A 104 4.044 -10.632 -8.442 1.00 0.00 C ATOM 1238 C GLU A 104 4.372 -12.100 -8.162 1.00 0.00 C ATOM 1239 O GLU A 104 5.242 -12.680 -8.810 1.00 0.00 O ATOM 1240 CB GLU A 104 4.641 -9.722 -7.367 1.00 0.00 C ATOM 1241 CG GLU A 104 6.160 -9.617 -7.520 1.00 0.00 C ATOM 1242 CD GLU A 104 6.801 -11.005 -7.587 1.00 0.00 C ATOM 1243 OE1 GLU A 104 6.803 -11.681 -6.536 1.00 0.00 O ATOM 1244 OE2 GLU A 104 7.275 -11.358 -8.689 1.00 0.00 O ATOM 0 H GLU A 104 2.115 -10.434 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 104 4.493 -10.355 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.195 -8.730 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.397 -10.112 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.400 -9.057 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.576 -9.060 -6.680 1.00 0.00 H new ATOM 1251 N GLU A 105 3.657 -12.659 -7.196 1.00 0.00 N ATOM 1252 CA GLU A 105 3.862 -14.048 -6.823 1.00 0.00 C ATOM 1253 C GLU A 105 2.523 -14.787 -6.772 1.00 0.00 C ATOM 1254 O GLU A 105 1.664 -14.581 -7.628 1.00 0.00 O ATOM 1255 CB GLU A 105 4.597 -14.154 -5.485 1.00 0.00 C ATOM 1256 CG GLU A 105 5.375 -15.468 -5.389 1.00 0.00 C ATOM 1257 CD GLU A 105 5.227 -16.092 -4.000 1.00 0.00 C ATOM 1258 OE1 GLU A 105 4.106 -16.003 -3.454 1.00 0.00 O ATOM 1259 OE2 GLU A 105 6.239 -16.644 -3.516 1.00 0.00 O ATOM 0 H GLU A 105 2.936 -12.175 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 105 4.487 -14.519 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.282 -13.313 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.880 -14.091 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.014 -16.165 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.429 -15.287 -5.600 1.00 0.00 H new ATOM 1266 N ASN A 106 2.387 -15.632 -5.761 1.00 0.00 N ATOM 1267 CA ASN A 106 1.167 -16.402 -5.588 1.00 0.00 C ATOM 1268 C ASN A 106 0.558 -16.084 -4.221 1.00 0.00 C ATOM 1269 O ASN A 106 0.238 -16.990 -3.454 1.00 0.00 O ATOM 1270 CB ASN A 106 1.452 -17.904 -5.640 1.00 0.00 C ATOM 1271 CG ASN A 106 0.254 -18.671 -6.203 1.00 0.00 C ATOM 1272 OD1 ASN A 106 -0.802 -18.756 -5.597 1.00 0.00 O ATOM 1273 ND2 ASN A 106 0.475 -19.222 -7.393 1.00 0.00 N ATOM 0 H ASN A 106 3.102 -15.800 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 106 0.483 -16.136 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.330 -18.090 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.684 -18.269 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.263 -19.754 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 106 1.383 -19.112 -7.845 1.00 0.00 H new ATOM 1280 N HIS A 107 0.416 -14.793 -3.958 1.00 0.00 N ATOM 1281 CA HIS A 107 -0.149 -14.344 -2.697 1.00 0.00 C ATOM 1282 C HIS A 107 -0.184 -12.815 -2.666 1.00 0.00 C ATOM 1283 O HIS A 107 -1.215 -12.220 -2.356 1.00 0.00 O ATOM 1284 CB HIS A 107 0.615 -14.943 -1.515 1.00 0.00 C ATOM 1285 CG HIS A 107 0.024 -16.231 -0.992 1.00 0.00 C ATOM 1286 ND1 HIS A 107 0.765 -17.163 -0.286 1.00 0.00 N ATOM 1287 CD2 HIS A 107 -1.242 -16.731 -1.078 1.00 0.00 C ATOM 1288 CE1 HIS A 107 -0.029 -18.175 0.032 1.00 0.00 C ATOM 1289 NE2 HIS A 107 -1.273 -17.905 -0.460 1.00 0.00 N ATOM 0 H HIS A 107 0.683 -14.044 -4.597 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.176 -14.699 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.647 -15.124 -1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.643 -14.213 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.078 -16.252 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.258 -19.058 0.584 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -2.092 -18.506 -0.368 1.00 0.00 H new ATOM 1297 N TYR A 108 0.955 -12.222 -2.992 1.00 0.00 N ATOM 1298 CA TYR A 108 1.068 -10.773 -3.005 1.00 0.00 C ATOM 1299 C TYR A 108 0.408 -10.183 -4.253 1.00 0.00 C ATOM 1300 O TYR A 108 0.227 -10.879 -5.251 1.00 0.00 O ATOM 1301 CB TYR A 108 2.567 -10.467 -3.043 1.00 0.00 C ATOM 1302 CG TYR A 108 3.422 -11.444 -2.233 1.00 0.00 C ATOM 1303 CD1 TYR A 108 3.343 -11.451 -0.855 1.00 0.00 C ATOM 1304 CD2 TYR A 108 4.272 -12.318 -2.880 1.00 0.00 C ATOM 1305 CE1 TYR A 108 4.148 -12.370 -0.093 1.00 0.00 C ATOM 1306 CE2 TYR A 108 5.076 -13.237 -2.118 1.00 0.00 C ATOM 1307 CZ TYR A 108 4.975 -13.218 -0.762 1.00 0.00 C ATOM 1308 OH TYR A 108 5.735 -14.086 -0.042 1.00 0.00 O ATOM 0 H TYR A 108 1.808 -12.719 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 108 0.575 -10.342 -2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 108 2.904 -10.479 -4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 108 2.731 -9.458 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.678 -10.767 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 108 4.334 -12.312 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 108 4.096 -12.386 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 108 5.745 -13.926 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 108 6.276 -14.630 -0.651 1.00 0.00 H new ATOM 1318 N ASN A 109 0.066 -8.907 -4.155 1.00 0.00 N ATOM 1319 CA ASN A 109 -0.571 -8.216 -5.263 1.00 0.00 C ATOM 1320 C ASN A 109 0.102 -6.857 -5.465 1.00 0.00 C ATOM 1321 O ASN A 109 -0.554 -5.819 -5.400 1.00 0.00 O ATOM 1322 CB ASN A 109 -2.054 -7.971 -4.981 1.00 0.00 C ATOM 1323 CG ASN A 109 -2.838 -9.285 -4.992 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -2.872 -10.026 -4.023 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -3.466 -9.531 -6.138 1.00 0.00 N ATOM 0 H ASN A 109 0.218 -8.333 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.471 -8.840 -6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.168 -7.483 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.463 -7.293 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.018 -10.382 -6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.396 -8.868 -6.910 1.00 0.00 H new ATOM 1332 N THR A 110 1.404 -6.907 -5.707 1.00 0.00 N ATOM 1333 CA THR A 110 2.174 -5.693 -5.918 1.00 0.00 C ATOM 1334 C THR A 110 1.353 -4.673 -6.712 1.00 0.00 C ATOM 1335 O THR A 110 0.502 -5.048 -7.517 1.00 0.00 O ATOM 1336 CB THR A 110 3.488 -6.078 -6.601 1.00 0.00 C ATOM 1337 OG1 THR A 110 3.082 -6.872 -7.712 1.00 0.00 O ATOM 1338 CG2 THR A 110 4.331 -7.031 -5.751 1.00 0.00 C ATOM 0 H THR A 110 1.945 -7.770 -5.762 1.00 0.00 H new ATOM 0 HA THR A 110 2.413 -5.207 -4.972 1.00 0.00 H new ATOM 0 HB THR A 110 4.063 -5.177 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.728 -6.769 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.252 -7.273 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.573 -6.554 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.769 -7.946 -5.564 1.00 0.00 H new ATOM 1346 N TYR A 111 1.639 -3.405 -6.456 1.00 0.00 N ATOM 1347 CA TYR A 111 0.938 -2.329 -7.136 1.00 0.00 C ATOM 1348 C TYR A 111 1.918 -1.262 -7.630 1.00 0.00 C ATOM 1349 O TYR A 111 3.119 -1.357 -7.384 1.00 0.00 O ATOM 1350 CB TYR A 111 0.008 -1.706 -6.094 1.00 0.00 C ATOM 1351 CG TYR A 111 -0.645 -2.723 -5.155 1.00 0.00 C ATOM 1352 CD1 TYR A 111 0.131 -3.435 -4.263 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -2.009 -2.929 -5.201 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -0.483 -4.392 -3.379 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -2.623 -3.886 -4.318 1.00 0.00 C ATOM 1356 CZ TYR A 111 -1.830 -4.571 -3.451 1.00 0.00 C ATOM 1357 OH TYR A 111 -2.410 -5.475 -2.617 1.00 0.00 O ATOM 0 H TYR A 111 2.346 -3.099 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 111 0.398 -2.711 -8.003 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.574 -0.989 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.774 -1.147 -6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.198 -3.275 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.616 -2.372 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.112 -4.955 -2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.689 -4.056 -4.343 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.380 -5.138 -1.697 1.00 0.00 H new ATOM 1367 N ILE A 112 1.368 -0.272 -8.317 1.00 0.00 N ATOM 1368 CA ILE A 112 2.179 0.811 -8.847 1.00 0.00 C ATOM 1369 C ILE A 112 1.297 2.042 -9.065 1.00 0.00 C ATOM 1370 O ILE A 112 0.281 1.969 -9.755 1.00 0.00 O ATOM 1371 CB ILE A 112 2.923 0.357 -10.105 1.00 0.00 C ATOM 1372 CG1 ILE A 112 4.392 0.060 -9.795 1.00 0.00 C ATOM 1373 CG2 ILE A 112 2.770 1.381 -11.232 1.00 0.00 C ATOM 1374 CD1 ILE A 112 5.062 -0.667 -10.963 1.00 0.00 C ATOM 0 H ILE A 112 0.371 -0.197 -8.519 1.00 0.00 H new ATOM 0 HA ILE A 112 2.952 1.094 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 112 2.473 -0.573 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.920 0.991 -9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.461 -0.550 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.308 1.034 -12.114 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.714 1.500 -11.475 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.179 2.339 -10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.105 -0.866 -10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.547 -1.609 -11.149 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.012 -0.044 -11.856 1.00 0.00 H new ATOM 1386 N SER A 113 1.718 3.146 -8.465 1.00 0.00 N ATOM 1387 CA SER A 113 0.980 4.391 -8.585 1.00 0.00 C ATOM 1388 C SER A 113 0.378 4.510 -9.986 1.00 0.00 C ATOM 1389 O SER A 113 1.097 4.748 -10.956 1.00 0.00 O ATOM 1390 CB SER A 113 1.877 5.595 -8.288 1.00 0.00 C ATOM 1391 OG SER A 113 1.139 6.813 -8.243 1.00 0.00 O ATOM 0 H SER A 113 2.561 3.204 -7.894 1.00 0.00 H new ATOM 0 HA SER A 113 0.175 4.383 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.384 5.443 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.651 5.668 -9.052 1.00 0.00 H new ATOM 0 HG SER A 113 1.210 7.271 -9.107 1.00 0.00 H new ATOM 1397 N LYS A 114 -0.934 4.340 -10.049 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.641 4.425 -11.315 1.00 0.00 C ATOM 1399 C LYS A 114 -1.607 5.870 -11.817 1.00 0.00 C ATOM 1400 O LYS A 114 -1.708 6.116 -13.018 1.00 0.00 O ATOM 1401 CB LYS A 114 -3.054 3.854 -11.181 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.486 3.150 -12.469 1.00 0.00 C ATOM 1403 CD LYS A 114 -4.703 3.840 -13.089 1.00 0.00 C ATOM 1404 CE LYS A 114 -5.228 3.050 -14.290 1.00 0.00 C ATOM 1405 NZ LYS A 114 -4.365 3.271 -15.472 1.00 0.00 N ATOM 0 H LYS A 114 -1.527 4.144 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.146 3.813 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.088 3.151 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.754 4.657 -10.949 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.661 3.150 -13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.724 2.108 -12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.490 3.938 -12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.433 4.849 -13.402 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.259 1.988 -14.049 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.250 3.356 -14.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.735 2.728 -16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.356 4.283 -15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.397 2.957 -15.258 1.00 0.00 H new ATOM 1419 N LYS A 115 -1.464 6.788 -10.872 1.00 0.00 N ATOM 1420 CA LYS A 115 -1.416 8.201 -11.203 1.00 0.00 C ATOM 1421 C LYS A 115 -0.119 8.500 -11.959 1.00 0.00 C ATOM 1422 O LYS A 115 0.059 9.598 -12.483 1.00 0.00 O ATOM 1423 CB LYS A 115 -1.604 9.053 -9.946 1.00 0.00 C ATOM 1424 CG LYS A 115 -2.516 10.249 -10.226 1.00 0.00 C ATOM 1425 CD LYS A 115 -1.894 11.546 -9.705 1.00 0.00 C ATOM 1426 CE LYS A 115 -1.051 12.223 -10.788 1.00 0.00 C ATOM 1427 NZ LYS A 115 -1.858 13.223 -11.523 1.00 0.00 N ATOM 0 H LYS A 115 -1.380 6.580 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.240 8.464 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.032 8.444 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.635 9.405 -9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.694 10.332 -11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.485 10.091 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.681 12.224 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.272 11.332 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.186 12.707 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.670 11.474 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.271 13.673 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.670 12.752 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.201 13.947 -10.860 1.00 0.00 H new ATOM 1441 N HIS A 116 0.752 7.502 -11.991 1.00 0.00 N ATOM 1442 CA HIS A 116 2.027 7.644 -12.674 1.00 0.00 C ATOM 1443 C HIS A 116 2.811 6.334 -12.575 1.00 0.00 C ATOM 1444 O HIS A 116 3.837 6.271 -11.899 1.00 0.00 O ATOM 1445 CB HIS A 116 2.804 8.844 -12.130 1.00 0.00 C ATOM 1446 CG HIS A 116 2.329 9.322 -10.778 1.00 0.00 C ATOM 1447 ND1 HIS A 116 2.324 8.512 -9.656 1.00 0.00 N ATOM 1448 CD2 HIS A 116 1.845 10.533 -10.381 1.00 0.00 C ATOM 1449 CE1 HIS A 116 1.855 9.214 -8.635 1.00 0.00 C ATOM 1450 NE2 HIS A 116 1.558 10.467 -9.087 1.00 0.00 N ATOM 0 H HIS A 116 0.600 6.592 -11.555 1.00 0.00 H new ATOM 0 HA HIS A 116 1.857 7.845 -13.732 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.859 8.579 -12.060 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.728 9.666 -12.842 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.717 11.400 -11.013 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.730 8.858 -7.623 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.178 11.227 -8.523 1.00 0.00 H new ATOM 1458 N ALA A 117 2.298 5.321 -13.257 1.00 0.00 N ATOM 1459 CA ALA A 117 2.937 4.016 -13.254 1.00 0.00 C ATOM 1460 C ALA A 117 4.046 3.994 -14.307 1.00 0.00 C ATOM 1461 O ALA A 117 4.646 2.951 -14.560 1.00 0.00 O ATOM 1462 CB ALA A 117 1.885 2.931 -13.492 1.00 0.00 C ATOM 0 H ALA A 117 1.447 5.377 -13.816 1.00 0.00 H new ATOM 0 HA ALA A 117 3.397 3.816 -12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.365 1.952 -13.490 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.137 2.970 -12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.403 3.097 -14.456 1.00 0.00 H new ATOM 1468 N GLU A 118 4.286 5.158 -14.892 1.00 0.00 N ATOM 1469 CA GLU A 118 5.313 5.286 -15.913 1.00 0.00 C ATOM 1470 C GLU A 118 6.703 5.212 -15.279 1.00 0.00 C ATOM 1471 O GLU A 118 7.695 4.995 -15.973 1.00 0.00 O ATOM 1472 CB GLU A 118 5.140 6.583 -16.706 1.00 0.00 C ATOM 1473 CG GLU A 118 6.284 6.772 -17.703 1.00 0.00 C ATOM 1474 CD GLU A 118 5.789 7.445 -18.985 1.00 0.00 C ATOM 1475 OE1 GLU A 118 4.646 7.134 -19.384 1.00 0.00 O ATOM 1476 OE2 GLU A 118 6.564 8.256 -19.536 1.00 0.00 O ATOM 0 H GLU A 118 3.787 6.022 -14.679 1.00 0.00 H new ATOM 0 HA GLU A 118 5.209 4.456 -16.612 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.189 6.564 -17.238 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.106 7.430 -16.021 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.069 7.377 -17.250 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.725 5.805 -17.943 1.00 0.00 H new ATOM 1483 N LYS A 119 6.731 5.398 -13.967 1.00 0.00 N ATOM 1484 CA LYS A 119 7.984 5.355 -13.232 1.00 0.00 C ATOM 1485 C LYS A 119 8.070 4.039 -12.456 1.00 0.00 C ATOM 1486 O LYS A 119 9.076 3.764 -11.803 1.00 0.00 O ATOM 1487 CB LYS A 119 8.131 6.598 -12.352 1.00 0.00 C ATOM 1488 CG LYS A 119 9.413 7.361 -12.691 1.00 0.00 C ATOM 1489 CD LYS A 119 9.374 8.780 -12.121 1.00 0.00 C ATOM 1490 CE LYS A 119 10.137 9.754 -13.021 1.00 0.00 C ATOM 1491 NZ LYS A 119 11.028 10.617 -12.214 1.00 0.00 N ATOM 0 H LYS A 119 5.906 5.579 -13.394 1.00 0.00 H new ATOM 0 HA LYS A 119 8.830 5.377 -13.919 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.268 7.250 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.145 6.305 -11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.275 6.828 -12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.540 7.403 -13.773 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.339 9.107 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.809 8.786 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.724 9.199 -13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.432 10.370 -13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.538 11.272 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.461 11.161 -11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.712 10.026 -11.701 1.00 0.00 H new ATOM 1505 N ASN A 120 7.002 3.261 -12.553 1.00 0.00 N ATOM 1506 CA ASN A 120 6.944 1.981 -11.868 1.00 0.00 C ATOM 1507 C ASN A 120 6.873 2.217 -10.358 1.00 0.00 C ATOM 1508 O ASN A 120 7.183 1.324 -9.571 1.00 0.00 O ATOM 1509 CB ASN A 120 8.193 1.145 -12.157 1.00 0.00 C ATOM 1510 CG ASN A 120 7.848 -0.081 -13.005 1.00 0.00 C ATOM 1511 OD1 ASN A 120 8.353 -1.172 -12.799 1.00 0.00 O ATOM 1512 ND2 ASN A 120 6.963 0.159 -13.968 1.00 0.00 N ATOM 0 H ASN A 120 6.170 3.492 -13.096 1.00 0.00 H new ATOM 0 HA ASN A 120 6.062 1.448 -12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.931 1.755 -12.677 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.647 0.827 -11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.668 -0.595 -14.589 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.579 1.097 -14.086 1.00 0.00 H new ATOM 1519 N TRP A 121 6.463 3.425 -9.999 1.00 0.00 N ATOM 1520 CA TRP A 121 6.347 3.790 -8.598 1.00 0.00 C ATOM 1521 C TRP A 121 5.461 2.749 -7.910 1.00 0.00 C ATOM 1522 O TRP A 121 4.235 2.840 -7.962 1.00 0.00 O ATOM 1523 CB TRP A 121 5.820 5.218 -8.445 1.00 0.00 C ATOM 1524 CG TRP A 121 6.831 6.299 -8.832 1.00 0.00 C ATOM 1525 CD1 TRP A 121 8.155 6.172 -8.989 1.00 0.00 C ATOM 1526 CD2 TRP A 121 6.543 7.687 -9.106 1.00 0.00 C ATOM 1527 NE1 TRP A 121 8.740 7.371 -9.343 1.00 0.00 N ATOM 1528 CE2 TRP A 121 7.729 8.321 -9.417 1.00 0.00 C ATOM 1529 CE3 TRP A 121 5.321 8.383 -9.093 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 7.809 9.682 -9.736 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 5.419 9.742 -9.415 1.00 0.00 C ATOM 1532 CH2 TRP A 121 6.605 10.395 -9.729 1.00 0.00 C ATOM 0 H TRP A 121 6.207 4.163 -10.655 1.00 0.00 H new ATOM 0 HA TRP A 121 7.325 3.788 -8.117 1.00 0.00 H new ATOM 0 HB2 TRP A 121 4.927 5.333 -9.060 1.00 0.00 H new ATOM 0 HB3 TRP A 121 5.516 5.373 -7.410 1.00 0.00 H new ATOM 0 HD1 TRP A 121 8.697 5.247 -8.855 1.00 0.00 H new ATOM 0 HE1 TRP A 121 9.732 7.530 -9.518 1.00 0.00 H new ATOM 0 HE3 TRP A 121 4.382 7.907 -8.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 8.750 10.156 -9.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.509 10.324 -9.420 1.00 0.00 H new ATOM 0 HH2 TRP A 121 6.597 11.449 -9.967 1.00 0.00 H new ATOM 1543 N PHE A 122 6.116 1.785 -7.280 1.00 0.00 N ATOM 1544 CA PHE A 122 5.403 0.728 -6.583 1.00 0.00 C ATOM 1545 C PHE A 122 4.903 1.211 -5.220 1.00 0.00 C ATOM 1546 O PHE A 122 5.193 2.334 -4.811 1.00 0.00 O ATOM 1547 CB PHE A 122 6.396 -0.417 -6.372 1.00 0.00 C ATOM 1548 CG PHE A 122 6.399 -1.453 -7.497 1.00 0.00 C ATOM 1549 CD1 PHE A 122 5.547 -2.513 -7.448 1.00 0.00 C ATOM 1550 CD2 PHE A 122 7.253 -1.315 -8.547 1.00 0.00 C ATOM 1551 CE1 PHE A 122 5.550 -3.475 -8.493 1.00 0.00 C ATOM 1552 CE2 PHE A 122 7.255 -2.277 -9.591 1.00 0.00 C ATOM 1553 CZ PHE A 122 6.404 -3.337 -9.542 1.00 0.00 C ATOM 0 H PHE A 122 7.133 1.714 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 122 4.538 0.414 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.399 -0.001 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.164 -0.917 -5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 122 4.869 -2.623 -6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 122 7.929 -0.474 -8.586 1.00 0.00 H new ATOM 0 HE1 PHE A 122 4.874 -4.316 -8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.933 -2.167 -10.425 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.407 -4.069 -10.336 1.00 0.00 H new ATOM 1563 N VAL A 123 4.160 0.339 -4.555 1.00 0.00 N ATOM 1564 CA VAL A 123 3.617 0.662 -3.246 1.00 0.00 C ATOM 1565 C VAL A 123 4.390 -0.108 -2.174 1.00 0.00 C ATOM 1566 O VAL A 123 3.859 -0.382 -1.098 1.00 0.00 O ATOM 1567 CB VAL A 123 2.114 0.379 -3.219 1.00 0.00 C ATOM 1568 CG1 VAL A 123 1.830 -1.100 -3.491 1.00 0.00 C ATOM 1569 CG2 VAL A 123 1.496 0.821 -1.891 1.00 0.00 C ATOM 0 H VAL A 123 3.921 -0.591 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 123 3.738 1.724 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 123 1.649 0.961 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.754 -1.274 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.219 -1.371 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.314 -1.710 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.427 0.608 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 123 1.968 0.279 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.652 1.891 -1.755 1.00 0.00 H new ATOM 1579 N GLY A 124 5.631 -0.434 -2.503 1.00 0.00 N ATOM 1580 CA GLY A 124 6.482 -1.166 -1.581 1.00 0.00 C ATOM 1581 C GLY A 124 7.458 -0.226 -0.871 1.00 0.00 C ATOM 1582 O GLY A 124 8.453 0.200 -1.457 1.00 0.00 O ATOM 0 H GLY A 124 6.068 -0.205 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.866 -1.681 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.038 -1.931 -2.123 1.00 0.00 H new ATOM 1586 N LEU A 125 7.140 0.070 0.381 1.00 0.00 N ATOM 1587 CA LEU A 125 7.977 0.952 1.177 1.00 0.00 C ATOM 1588 C LEU A 125 9.380 0.352 1.290 1.00 0.00 C ATOM 1589 O LEU A 125 9.562 -0.698 1.903 1.00 0.00 O ATOM 1590 CB LEU A 125 7.319 1.238 2.528 1.00 0.00 C ATOM 1591 CG LEU A 125 5.792 1.339 2.524 1.00 0.00 C ATOM 1592 CD1 LEU A 125 5.162 0.130 3.218 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.328 2.660 3.139 1.00 0.00 C ATOM 0 H LEU A 125 6.315 -0.285 0.864 1.00 0.00 H new ATOM 0 HA LEU A 125 8.083 1.921 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.609 0.451 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.724 2.173 2.916 1.00 0.00 H new ATOM 0 HG LEU A 125 5.451 1.330 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.076 0.226 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.454 -0.782 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.507 0.083 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.239 2.706 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.679 2.725 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.734 3.492 2.564 1.00 0.00 H new ATOM 1605 N LYS A 126 10.335 1.046 0.689 1.00 0.00 N ATOM 1606 CA LYS A 126 11.716 0.595 0.715 1.00 0.00 C ATOM 1607 C LYS A 126 11.934 -0.297 1.938 1.00 0.00 C ATOM 1608 O LYS A 126 11.807 0.159 3.074 1.00 0.00 O ATOM 1609 CB LYS A 126 12.671 1.789 0.646 1.00 0.00 C ATOM 1610 CG LYS A 126 14.086 1.339 0.275 1.00 0.00 C ATOM 1611 CD LYS A 126 15.137 2.199 0.979 1.00 0.00 C ATOM 1612 CE LYS A 126 16.531 1.584 0.839 1.00 0.00 C ATOM 1613 NZ LYS A 126 17.574 2.619 1.018 1.00 0.00 N ATOM 0 H LYS A 126 10.180 1.917 0.181 1.00 0.00 H new ATOM 0 HA LYS A 126 11.936 -0.011 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.309 2.507 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.689 2.301 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.223 0.293 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.221 1.405 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.134 3.203 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.884 2.298 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.663 0.795 1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.634 1.121 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.163 2.670 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.123 3.541 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 18.170 2.374 1.834 1.00 0.00 H new ATOM 1627 N LYS A 127 12.259 -1.552 1.666 1.00 0.00 N ATOM 1628 CA LYS A 127 12.496 -2.512 2.730 1.00 0.00 C ATOM 1629 C LYS A 127 13.682 -2.046 3.577 1.00 0.00 C ATOM 1630 O LYS A 127 14.709 -2.721 3.638 1.00 0.00 O ATOM 1631 CB LYS A 127 12.666 -3.919 2.155 1.00 0.00 C ATOM 1632 CG LYS A 127 13.664 -3.920 0.994 1.00 0.00 C ATOM 1633 CD LYS A 127 14.924 -4.709 1.355 1.00 0.00 C ATOM 1634 CE LYS A 127 16.024 -4.492 0.314 1.00 0.00 C ATOM 1635 NZ LYS A 127 17.327 -4.965 0.831 1.00 0.00 N ATOM 0 H LYS A 127 12.364 -1.926 0.723 1.00 0.00 H new ATOM 0 HA LYS A 127 11.632 -2.566 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.011 -4.596 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.702 -4.294 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.199 -4.356 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.933 -2.895 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.282 -4.400 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.686 -5.771 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.775 -5.025 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.089 -3.434 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.063 -4.810 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.570 -4.438 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.266 -5.980 1.051 1.00 0.00 H new ATOM 1649 N ASN A 128 13.502 -0.895 4.208 1.00 0.00 N ATOM 1650 CA ASN A 128 14.545 -0.331 5.048 1.00 0.00 C ATOM 1651 C ASN A 128 13.929 0.150 6.364 1.00 0.00 C ATOM 1652 O ASN A 128 14.477 -0.097 7.437 1.00 0.00 O ATOM 1653 CB ASN A 128 15.209 0.869 4.370 1.00 0.00 C ATOM 1654 CG ASN A 128 16.591 1.140 4.968 1.00 0.00 C ATOM 1655 OD1 ASN A 128 16.733 1.727 6.028 1.00 0.00 O ATOM 1656 ND2 ASN A 128 17.598 0.682 4.231 1.00 0.00 N ATOM 0 H ASN A 128 12.649 -0.338 4.154 1.00 0.00 H new ATOM 0 HA ASN A 128 15.292 -1.105 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.302 0.682 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 128 14.579 1.751 4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.560 0.814 4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 128 17.409 0.199 3.353 1.00 0.00 H new ATOM 1663 N GLY A 129 12.798 0.829 6.238 1.00 0.00 N ATOM 1664 CA GLY A 129 12.102 1.346 7.403 1.00 0.00 C ATOM 1665 C GLY A 129 11.922 2.863 7.306 1.00 0.00 C ATOM 1666 O GLY A 129 12.478 3.611 8.108 1.00 0.00 O ATOM 0 H GLY A 129 12.347 1.033 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.128 0.866 7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.662 1.100 8.305 1.00 0.00 H new ATOM 1670 N SER A 130 11.142 3.271 6.316 1.00 0.00 N ATOM 1671 CA SER A 130 10.881 4.684 6.102 1.00 0.00 C ATOM 1672 C SER A 130 10.185 4.891 4.756 1.00 0.00 C ATOM 1673 O SER A 130 10.691 4.463 3.719 1.00 0.00 O ATOM 1674 CB SER A 130 12.175 5.498 6.161 1.00 0.00 C ATOM 1675 OG SER A 130 12.414 6.210 4.950 1.00 0.00 O ATOM 0 H SER A 130 10.682 2.647 5.653 1.00 0.00 H new ATOM 0 HA SER A 130 10.226 5.035 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.123 6.202 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 130 13.014 4.831 6.361 1.00 0.00 H new ATOM 0 HG SER A 130 13.312 6.601 4.972 1.00 0.00 H new ATOM 1681 N CYS A 131 9.035 5.547 4.815 1.00 0.00 N ATOM 1682 CA CYS A 131 8.265 5.815 3.612 1.00 0.00 C ATOM 1683 C CYS A 131 9.200 6.429 2.569 1.00 0.00 C ATOM 1684 O CYS A 131 10.117 7.173 2.914 1.00 0.00 O ATOM 1685 CB CYS A 131 7.062 6.716 3.901 1.00 0.00 C ATOM 1686 SG CYS A 131 5.809 6.530 2.579 1.00 0.00 S ATOM 0 H CYS A 131 8.618 5.900 5.676 1.00 0.00 H new ATOM 0 HA CYS A 131 7.854 4.883 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.626 6.456 4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.383 7.756 3.966 1.00 0.00 H new ATOM 0 HG CYS A 131 4.791 7.297 2.835 1.00 0.00 H new ATOM 1692 N LYS A 132 8.936 6.095 1.314 1.00 0.00 N ATOM 1693 CA LYS A 132 9.743 6.604 0.219 1.00 0.00 C ATOM 1694 C LYS A 132 8.842 7.349 -0.769 1.00 0.00 C ATOM 1695 O LYS A 132 7.618 7.278 -0.673 1.00 0.00 O ATOM 1696 CB LYS A 132 10.554 5.475 -0.419 1.00 0.00 C ATOM 1697 CG LYS A 132 12.042 5.617 -0.093 1.00 0.00 C ATOM 1698 CD LYS A 132 12.287 5.496 1.412 1.00 0.00 C ATOM 1699 CE LYS A 132 13.264 6.569 1.897 1.00 0.00 C ATOM 1700 NZ LYS A 132 12.589 7.505 2.824 1.00 0.00 N ATOM 0 H LYS A 132 8.174 5.478 1.032 1.00 0.00 H new ATOM 0 HA LYS A 132 10.476 7.322 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.190 4.513 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.412 5.486 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.608 4.849 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.405 6.581 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 132 11.342 5.591 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.684 4.507 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.110 6.099 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.663 7.118 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.165 8.364 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 11.656 7.759 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 12.471 7.050 3.752 1.00 0.00 H new ATOM 1714 N ARG A 133 9.483 8.045 -1.696 1.00 0.00 N ATOM 1715 CA ARG A 133 8.756 8.801 -2.701 1.00 0.00 C ATOM 1716 C ARG A 133 8.809 8.081 -4.050 1.00 0.00 C ATOM 1717 O ARG A 133 9.388 7.001 -4.158 1.00 0.00 O ATOM 1718 CB ARG A 133 9.336 10.208 -2.859 1.00 0.00 C ATOM 1719 CG ARG A 133 10.864 10.165 -2.935 1.00 0.00 C ATOM 1720 CD ARG A 133 11.431 11.529 -3.333 1.00 0.00 C ATOM 1721 NE ARG A 133 11.436 12.437 -2.164 1.00 0.00 N ATOM 1722 CZ ARG A 133 10.389 13.186 -1.790 1.00 0.00 C ATOM 1723 NH1 ARG A 133 9.248 13.140 -2.491 1.00 0.00 N ATOM 1724 NH2 ARG A 133 10.484 13.980 -0.715 1.00 0.00 N ATOM 0 H ARG A 133 10.499 8.101 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 133 7.721 8.882 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 133 8.936 10.671 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 133 9.027 10.829 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.272 9.865 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.175 9.412 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.444 11.412 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.833 11.960 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 133 12.289 12.497 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 133 9.176 12.535 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 133 8.451 13.710 -2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.353 14.014 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 133 9.688 14.550 -0.430 1.00 0.00 H new ATOM 1738 N GLY A 134 8.196 8.707 -5.044 1.00 0.00 N ATOM 1739 CA GLY A 134 8.166 8.139 -6.381 1.00 0.00 C ATOM 1740 C GLY A 134 9.546 7.616 -6.785 1.00 0.00 C ATOM 1741 O GLY A 134 9.719 6.420 -7.010 1.00 0.00 O ATOM 0 H GLY A 134 7.716 9.602 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.440 7.327 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.836 8.895 -7.094 1.00 0.00 H new ATOM 1745 N PRO A 135 10.518 8.564 -6.868 1.00 0.00 N ATOM 1746 CA PRO A 135 11.877 8.212 -7.242 1.00 0.00 C ATOM 1747 C PRO A 135 12.602 7.520 -6.085 1.00 0.00 C ATOM 1748 O PRO A 135 13.681 7.948 -5.680 1.00 0.00 O ATOM 1749 CB PRO A 135 12.526 9.524 -7.649 1.00 0.00 C ATOM 1750 CG PRO A 135 11.660 10.621 -7.050 1.00 0.00 C ATOM 1751 CD PRO A 135 10.349 9.991 -6.609 1.00 0.00 C ATOM 0 HA PRO A 135 11.915 7.494 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.548 9.586 -7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.576 9.615 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 135 12.164 11.086 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 135 11.478 11.407 -7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 135 10.153 10.181 -5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 135 9.506 10.398 -7.168 1.00 0.00 H new ATOM 1759 N ARG A 136 11.979 6.462 -5.587 1.00 0.00 N ATOM 1760 CA ARG A 136 12.551 5.707 -4.485 1.00 0.00 C ATOM 1761 C ARG A 136 11.624 4.554 -4.094 1.00 0.00 C ATOM 1762 O ARG A 136 11.499 4.225 -2.916 1.00 0.00 O ATOM 1763 CB ARG A 136 12.782 6.602 -3.266 1.00 0.00 C ATOM 1764 CG ARG A 136 14.276 6.753 -2.972 1.00 0.00 C ATOM 1765 CD ARG A 136 14.880 5.427 -2.505 1.00 0.00 C ATOM 1766 NE ARG A 136 16.146 5.675 -1.779 1.00 0.00 N ATOM 1767 CZ ARG A 136 17.121 4.767 -1.639 1.00 0.00 C ATOM 1768 NH1 ARG A 136 16.982 3.546 -2.174 1.00 0.00 N ATOM 1769 NH2 ARG A 136 18.236 5.080 -0.965 1.00 0.00 N ATOM 0 H ARG A 136 11.084 6.110 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 136 13.510 5.310 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.341 7.583 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.278 6.177 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 136 14.793 7.097 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.424 7.514 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.176 4.905 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 136 15.064 4.780 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 136 16.285 6.594 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 136 16.134 3.308 -2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 136 17.725 2.855 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 136 18.342 6.009 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 136 18.978 4.389 -0.858 1.00 0.00 H new ATOM 1783 N THR A 137 10.999 3.971 -5.106 1.00 0.00 N ATOM 1784 CA THR A 137 10.088 2.861 -4.883 1.00 0.00 C ATOM 1785 C THR A 137 9.914 2.047 -6.167 1.00 0.00 C ATOM 1786 O THR A 137 9.161 2.439 -7.058 1.00 0.00 O ATOM 1787 CB THR A 137 8.774 3.429 -4.342 1.00 0.00 C ATOM 1788 OG1 THR A 137 7.867 2.333 -4.412 1.00 0.00 O ATOM 1789 CG2 THR A 137 8.162 4.478 -5.273 1.00 0.00 C ATOM 0 H THR A 137 11.105 4.246 -6.082 1.00 0.00 H new ATOM 0 HA THR A 137 10.487 2.165 -4.145 1.00 0.00 H new ATOM 0 HB THR A 137 8.947 3.871 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 137 6.962 2.668 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 137 7.232 4.848 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 137 8.860 5.306 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.958 4.028 -6.244 1.00 0.00 H new ATOM 1797 N HIS A 138 10.624 0.930 -6.222 1.00 0.00 N ATOM 1798 CA HIS A 138 10.558 0.057 -7.382 1.00 0.00 C ATOM 1799 C HIS A 138 10.723 -1.398 -6.939 1.00 0.00 C ATOM 1800 O HIS A 138 10.728 -1.691 -5.745 1.00 0.00 O ATOM 1801 CB HIS A 138 11.585 0.476 -8.436 1.00 0.00 C ATOM 1802 CG HIS A 138 11.599 1.958 -8.725 1.00 0.00 C ATOM 1803 ND1 HIS A 138 11.994 2.901 -7.791 1.00 0.00 N ATOM 1804 CD2 HIS A 138 11.264 2.650 -9.852 1.00 0.00 C ATOM 1805 CE1 HIS A 138 11.896 4.102 -8.342 1.00 0.00 C ATOM 1806 NE2 HIS A 138 11.442 3.944 -9.619 1.00 0.00 N ATOM 0 H HIS A 138 11.248 0.609 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 138 9.580 0.148 -7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 138 12.577 0.172 -8.103 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.381 -0.062 -9.362 1.00 0.00 H new ATOM 0 HD2 HIS A 138 10.913 2.218 -10.777 1.00 0.00 H new ATOM 0 HE1 HIS A 138 12.134 5.041 -7.864 1.00 0.00 H new ATOM 0 HE2 HIS A 138 11.268 4.697 -10.285 1.00 0.00 H new ATOM 1814 N TYR A 139 10.853 -2.272 -7.927 1.00 0.00 N ATOM 1815 CA TYR A 139 11.017 -3.690 -7.654 1.00 0.00 C ATOM 1816 C TYR A 139 12.239 -3.940 -6.769 1.00 0.00 C ATOM 1817 O TYR A 139 12.665 -3.056 -6.028 1.00 0.00 O ATOM 1818 CB TYR A 139 11.241 -4.357 -9.013 1.00 0.00 C ATOM 1819 CG TYR A 139 10.234 -5.463 -9.337 1.00 0.00 C ATOM 1820 CD1 TYR A 139 8.902 -5.299 -9.014 1.00 0.00 C ATOM 1821 CD2 TYR A 139 10.658 -6.624 -9.951 1.00 0.00 C ATOM 1822 CE1 TYR A 139 7.955 -6.340 -9.319 1.00 0.00 C ATOM 1823 CE2 TYR A 139 9.710 -7.664 -10.256 1.00 0.00 C ATOM 1824 CZ TYR A 139 8.406 -7.471 -9.925 1.00 0.00 C ATOM 1825 OH TYR A 139 7.511 -8.454 -10.213 1.00 0.00 O ATOM 0 H TYR A 139 10.848 -2.026 -8.917 1.00 0.00 H new ATOM 0 HA TYR A 139 10.145 -4.084 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 139 11.193 -3.596 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 139 12.247 -4.776 -9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 139 8.570 -4.391 -8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 139 11.700 -6.752 -10.203 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.910 -6.225 -9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 139 10.028 -8.577 -10.737 1.00 0.00 H new ATOM 0 HH TYR A 139 7.974 -9.202 -10.645 1.00 0.00 H new ATOM 1891 N ILE A 144 7.112 -4.155 -2.186 1.00 0.00 N ATOM 1892 CA ILE A 144 6.024 -4.058 -3.143 1.00 0.00 C ATOM 1893 C ILE A 144 5.063 -5.231 -2.937 1.00 0.00 C ATOM 1894 O ILE A 144 3.850 -5.076 -3.069 1.00 0.00 O ATOM 1895 CB ILE A 144 6.571 -3.955 -4.568 1.00 0.00 C ATOM 1896 CG1 ILE A 144 7.181 -5.284 -5.019 1.00 0.00 C ATOM 1897 CG2 ILE A 144 7.563 -2.797 -4.692 1.00 0.00 C ATOM 1898 CD1 ILE A 144 7.816 -5.154 -6.404 1.00 0.00 C ATOM 0 HA ILE A 144 5.453 -3.144 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 144 5.739 -3.739 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 144 7.933 -5.606 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.410 -6.054 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 144 7.937 -2.746 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 144 7.063 -1.861 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 144 8.397 -2.957 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 144 8.242 -6.113 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 144 7.056 -4.856 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 144 8.603 -4.401 -6.374 1.00 0.00 H new ATOM 1910 N LEU A 145 5.642 -6.379 -2.615 1.00 0.00 N ATOM 1911 CA LEU A 145 4.852 -7.578 -2.389 1.00 0.00 C ATOM 1912 C LEU A 145 4.157 -7.476 -1.030 1.00 0.00 C ATOM 1913 O LEU A 145 4.812 -7.504 0.011 1.00 0.00 O ATOM 1914 CB LEU A 145 5.720 -8.828 -2.543 1.00 0.00 C ATOM 1915 CG LEU A 145 6.164 -9.164 -3.969 1.00 0.00 C ATOM 1916 CD1 LEU A 145 7.415 -8.372 -4.354 1.00 0.00 C ATOM 1917 CD2 LEU A 145 6.365 -10.671 -4.139 1.00 0.00 C ATOM 0 H LEU A 145 6.648 -6.504 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 145 4.069 -7.667 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.610 -8.707 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.169 -9.680 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 145 5.370 -8.865 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.710 -8.629 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.202 -7.305 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.226 -8.617 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 145 6.680 -10.883 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 145 7.130 -11.017 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 145 5.428 -11.189 -3.934 1.00 0.00 H new ATOM 1929 N PHE A 146 2.838 -7.360 -1.083 1.00 0.00 N ATOM 1930 CA PHE A 146 2.046 -7.254 0.131 1.00 0.00 C ATOM 1931 C PHE A 146 1.199 -8.510 0.344 1.00 0.00 C ATOM 1932 O PHE A 146 0.418 -8.892 -0.526 1.00 0.00 O ATOM 1933 CB PHE A 146 1.118 -6.051 -0.044 1.00 0.00 C ATOM 1934 CG PHE A 146 1.769 -4.708 0.293 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.571 -4.597 1.386 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.546 -3.626 -0.500 1.00 0.00 C ATOM 1937 CE1 PHE A 146 3.175 -3.350 1.699 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.150 -2.380 -0.187 1.00 0.00 C ATOM 1939 CZ PHE A 146 2.952 -2.268 0.906 1.00 0.00 C ATOM 0 H PHE A 146 2.298 -7.337 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 146 2.702 -7.140 0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 146 0.766 -6.024 -1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.241 -6.187 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.748 -5.456 2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 146 0.909 -3.715 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.811 -3.261 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 146 1.973 -1.521 -0.817 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.412 -1.320 1.144 1.00 0.00 H new ATOM 1949 N LEU A 147 1.382 -9.118 1.507 1.00 0.00 N ATOM 1950 CA LEU A 147 0.644 -10.323 1.846 1.00 0.00 C ATOM 1951 C LEU A 147 -0.368 -10.003 2.948 1.00 0.00 C ATOM 1952 O LEU A 147 -0.007 -9.915 4.121 1.00 0.00 O ATOM 1953 CB LEU A 147 1.606 -11.457 2.205 1.00 0.00 C ATOM 1954 CG LEU A 147 1.004 -12.863 2.236 1.00 0.00 C ATOM 1955 CD1 LEU A 147 0.622 -13.264 3.663 1.00 0.00 C ATOM 1956 CD2 LEU A 147 -0.180 -12.974 1.274 1.00 0.00 C ATOM 0 H LEU A 147 2.031 -8.799 2.226 1.00 0.00 H new ATOM 0 HA LEU A 147 0.077 -10.677 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.427 -11.451 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 147 2.036 -11.246 3.184 1.00 0.00 H new ATOM 0 HG LEU A 147 1.763 -13.567 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 147 0.196 -14.267 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 147 1.510 -13.250 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -0.113 -12.560 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.589 -13.983 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -0.950 -12.258 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 147 0.155 -12.760 0.259 1.00 0.00 H new ATOM 1968 N PRO A 148 -1.648 -9.834 2.521 1.00 0.00 N ATOM 1969 CA PRO A 148 -2.715 -9.526 3.459 1.00 0.00 C ATOM 1970 C PRO A 148 -3.111 -10.764 4.265 1.00 0.00 C ATOM 1971 O PRO A 148 -3.233 -11.856 3.712 1.00 0.00 O ATOM 1972 CB PRO A 148 -3.848 -8.988 2.601 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.552 -9.446 1.183 1.00 0.00 C ATOM 1974 CD PRO A 148 -2.112 -9.931 1.141 1.00 0.00 C ATOM 0 HA PRO A 148 -2.418 -8.793 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.811 -9.370 2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.898 -7.901 2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.233 -10.245 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.700 -8.627 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.050 -10.955 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.506 -9.316 0.475 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.300 -10.553 5.559 1.00 0.00 N ATOM 1983 CA LEU A 149 -3.679 -11.639 6.447 1.00 0.00 C ATOM 1984 C LEU A 149 -4.881 -11.206 7.290 1.00 0.00 C ATOM 1985 O LEU A 149 -4.760 -11.018 8.499 1.00 0.00 O ATOM 1986 CB LEU A 149 -2.479 -12.096 7.278 1.00 0.00 C ATOM 1987 CG LEU A 149 -1.388 -11.049 7.514 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -0.809 -11.170 8.925 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.303 -11.136 6.439 1.00 0.00 C ATOM 0 H LEU A 149 -3.198 -9.646 6.014 1.00 0.00 H new ATOM 0 HA LEU A 149 -3.989 -12.511 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.842 -12.438 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -2.028 -12.957 6.785 1.00 0.00 H new ATOM 0 HG LEU A 149 -1.840 -10.060 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.036 -10.415 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -1.602 -11.020 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -0.376 -12.162 9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.460 -10.381 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 149 0.152 -12.126 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.747 -10.963 5.459 1.00 0.00 H new ATOM 2001 N PRO A 150 -6.043 -11.058 6.599 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.266 -10.651 7.271 1.00 0.00 C ATOM 2003 C PRO A 150 -7.856 -11.806 8.083 1.00 0.00 C ATOM 2004 O PRO A 150 -7.367 -12.932 8.012 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.186 -10.176 6.159 1.00 0.00 C ATOM 2006 CG PRO A 150 -7.626 -10.765 4.874 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.224 -11.272 5.167 1.00 0.00 C ATOM 0 HA PRO A 150 -7.102 -9.858 8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.209 -10.511 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.211 -9.087 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.259 -11.578 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.603 -10.011 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.122 -12.326 4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.477 -10.728 4.588 1.00 0.00 H new ATOM 2015 N VAL A 151 -8.898 -11.486 8.836 1.00 0.00 N ATOM 2016 CA VAL A 151 -9.559 -12.483 9.660 1.00 0.00 C ATOM 2017 C VAL A 151 -10.974 -12.005 9.995 1.00 0.00 C ATOM 2018 O VAL A 151 -11.530 -12.376 11.027 1.00 0.00 O ATOM 2019 CB VAL A 151 -8.717 -12.776 10.904 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -7.462 -13.571 10.541 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -8.355 -11.483 11.638 1.00 0.00 C ATOM 0 H VAL A 151 -9.301 -10.551 8.893 1.00 0.00 H new ATOM 0 HA VAL A 151 -9.653 -13.424 9.118 1.00 0.00 H new ATOM 0 HB VAL A 151 -9.317 -13.387 11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -6.881 -13.766 11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -7.750 -14.517 10.083 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -6.858 -12.997 9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -7.757 -11.719 12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -7.783 -10.835 10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -9.267 -10.972 11.946 1.00 0.00 H new