USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 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 57 CYS SG : rot 2:sc= 0.13 USER MOD Set 1.2: A 138 SER OG : rot -67:sc= -1.04! USER MOD Set 2.1: A 129 GLN :FLIP amide:sc= -0.0532 F(o=-2.6,f=-1.6) USER MOD Set 2.2: A 130 MET CE :methyl 149:sc= -1.57 (180deg=-3.59!) USER MOD Set 3.1: A 59 HIS : no HE2:sc= -2.27 X(o=-12,f=-12) USER MOD Set 3.2: A 115 SER OG : rot -70:sc= -1.07 USER MOD Set 3.3: A 152 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 157 HIS : no HE2:sc= -8.17! C(o=-12!,f=-12!) USER MOD Single : A 58 SER OG : rot 170:sc=0.000637 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 2.57 (180deg=1.81) USER MOD Single : A 64 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-6.7!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.66 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -97:sc= -0.243 USER MOD Single : A 71 SER OG : rot 180:sc= -0.399 USER MOD Single : A 72 SER OG : rot -18:sc= -0.799 USER MOD Single : A 75 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.68) USER MOD Single : A 77 LYS NZ :NH3+ 147:sc= -0.396 (180deg=-1.51!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 92 TYR OH : rot -18:sc= -0.0292 USER MOD Single : A 94 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.088) USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= 0.116 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -61:sc= 1.23 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.8!) USER MOD Single : A 111 SER OG : rot -83:sc= 0.574 USER MOD Single : A 113 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.039) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 146 MET CE :methyl -140:sc= -0.896 (180deg=-2.72!) USER MOD Single : A 147 SER OG : rot 120:sc= -0.0432 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 29.634 5.814 6.540 1.00 0.00 N ATOM 2 CA GLY A 50 30.231 4.889 7.543 1.00 0.00 C ATOM 3 C GLY A 50 31.603 4.395 7.131 1.00 0.00 C ATOM 4 O GLY A 50 32.418 5.161 6.617 1.00 0.00 O ATOM 0 HA2 GLY A 50 30.305 5.398 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 50 29.568 4.035 7.685 1.00 0.00 H new ATOM 10 N GLU A 51 31.860 3.111 7.359 1.00 0.00 N ATOM 11 CA GLU A 51 33.143 2.513 7.008 1.00 0.00 C ATOM 12 C GLU A 51 32.968 1.435 5.939 1.00 0.00 C ATOM 13 O GLU A 51 32.629 0.294 6.250 1.00 0.00 O ATOM 14 CB GLU A 51 33.803 1.913 8.253 1.00 0.00 C ATOM 15 CG GLU A 51 35.116 2.582 8.625 1.00 0.00 C ATOM 16 CD GLU A 51 34.920 3.800 9.506 1.00 0.00 C ATOM 17 OE1 GLU A 51 34.006 3.778 10.358 1.00 0.00 O ATOM 18 OE2 GLU A 51 35.681 4.778 9.346 1.00 0.00 O ATOM 0 H GLU A 51 31.196 2.464 7.785 1.00 0.00 H new ATOM 0 HA GLU A 51 33.785 3.296 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 51 33.113 1.991 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 51 33.981 0.851 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 51 35.752 1.863 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.640 2.876 7.716 1.00 0.00 H new ATOM 25 N PRO A 52 33.196 1.784 4.659 1.00 0.00 N ATOM 26 CA PRO A 52 33.058 0.833 3.550 1.00 0.00 C ATOM 27 C PRO A 52 34.110 -0.269 3.601 1.00 0.00 C ATOM 28 O PRO A 52 35.175 -0.099 4.196 1.00 0.00 O ATOM 29 CB PRO A 52 33.252 1.701 2.304 1.00 0.00 C ATOM 30 CG PRO A 52 34.036 2.876 2.774 1.00 0.00 C ATOM 31 CD PRO A 52 33.605 3.121 4.193 1.00 0.00 C ATOM 0 HA PRO A 52 32.099 0.315 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 52 33.784 1.158 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 52 32.294 2.008 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 52 35.106 2.678 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 52 33.842 3.749 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 52 34.418 3.526 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 52 32.783 3.834 4.246 1.00 0.00 H new ATOM 39 N ALA A 53 33.805 -1.400 2.973 1.00 0.00 N ATOM 40 CA ALA A 53 34.725 -2.532 2.946 1.00 0.00 C ATOM 41 C ALA A 53 35.893 -2.284 1.993 1.00 0.00 C ATOM 42 O ALA A 53 36.832 -3.079 1.933 1.00 0.00 O ATOM 43 CB ALA A 53 33.983 -3.800 2.553 1.00 0.00 C ATOM 0 H ALA A 53 32.928 -1.557 2.476 1.00 0.00 H new ATOM 0 HA ALA A 53 35.136 -2.653 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.679 -4.639 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 53 33.193 -3.999 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.544 -3.673 1.563 1.00 0.00 H new ATOM 49 N ARG A 54 35.833 -1.184 1.246 1.00 0.00 N ATOM 50 CA ARG A 54 36.888 -0.847 0.300 1.00 0.00 C ATOM 51 C ARG A 54 37.166 0.658 0.310 1.00 0.00 C ATOM 52 O ARG A 54 36.291 1.457 0.641 1.00 0.00 O ATOM 53 CB ARG A 54 36.496 -1.323 -1.109 1.00 0.00 C ATOM 54 CG ARG A 54 36.754 -0.308 -2.217 1.00 0.00 C ATOM 55 CD ARG A 54 36.458 -0.892 -3.588 1.00 0.00 C ATOM 56 NE ARG A 54 35.024 -1.041 -3.824 1.00 0.00 N ATOM 57 CZ ARG A 54 34.225 -0.044 -4.196 1.00 0.00 C ATOM 58 NH1 ARG A 54 34.714 1.178 -4.374 1.00 0.00 N ATOM 59 NH2 ARG A 54 32.933 -0.267 -4.390 1.00 0.00 N ATOM 0 H ARG A 54 35.065 -0.513 1.279 1.00 0.00 H new ATOM 0 HA ARG A 54 37.805 -1.356 0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 54 37.046 -2.236 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.437 -1.580 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.135 0.574 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.793 0.020 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.886 -0.248 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.943 -1.864 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 54 34.610 -1.965 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.707 1.356 -4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.096 1.938 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.551 -1.203 -4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.321 0.497 -4.675 1.00 0.00 H new ATOM 73 N VAL A 55 38.389 1.033 -0.058 1.00 0.00 N ATOM 74 CA VAL A 55 38.780 2.438 -0.092 1.00 0.00 C ATOM 75 C VAL A 55 39.873 2.681 -1.131 1.00 0.00 C ATOM 76 O VAL A 55 40.499 1.741 -1.618 1.00 0.00 O ATOM 77 CB VAL A 55 39.284 2.915 1.282 1.00 0.00 C ATOM 78 CG1 VAL A 55 38.158 2.883 2.304 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.459 2.066 1.744 1.00 0.00 C ATOM 0 H VAL A 55 39.125 0.384 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 55 37.890 3.006 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 55 39.626 3.945 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.533 3.223 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.351 3.538 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.782 1.864 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.802 2.418 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 55 40.146 1.025 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.272 2.146 1.022 1.00 0.00 H new ATOM 89 N ARG A 56 40.102 3.952 -1.460 1.00 0.00 N ATOM 90 CA ARG A 56 41.122 4.318 -2.436 1.00 0.00 C ATOM 91 C ARG A 56 42.305 4.985 -1.746 1.00 0.00 C ATOM 92 O ARG A 56 42.180 6.083 -1.204 1.00 0.00 O ATOM 93 CB ARG A 56 40.536 5.259 -3.492 1.00 0.00 C ATOM 94 CG ARG A 56 41.111 5.048 -4.884 1.00 0.00 C ATOM 95 CD ARG A 56 41.329 6.368 -5.606 1.00 0.00 C ATOM 96 NE ARG A 56 40.072 7.075 -5.852 1.00 0.00 N ATOM 97 CZ ARG A 56 39.474 7.147 -7.041 1.00 0.00 C ATOM 98 NH1 ARG A 56 40.004 6.551 -8.104 1.00 0.00 N ATOM 99 NH2 ARG A 56 38.337 7.817 -7.167 1.00 0.00 N ATOM 0 H ARG A 56 39.594 4.743 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 56 41.469 3.409 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.455 5.121 -3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.715 6.290 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 56 42.058 4.513 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 56 40.435 4.422 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 56 41.990 7.000 -5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 56 41.832 6.183 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 56 39.625 7.543 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 56 40.877 6.032 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 56 39.537 6.613 -9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 56 37.923 8.275 -6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 56 37.877 7.874 -8.075 1.00 0.00 H new ATOM 113 N CYS A 57 43.449 4.313 -1.759 1.00 0.00 N ATOM 114 CA CYS A 57 44.647 4.844 -1.122 1.00 0.00 C ATOM 115 C CYS A 57 45.888 4.599 -1.970 1.00 0.00 C ATOM 116 O CYS A 57 45.974 3.612 -2.702 1.00 0.00 O ATOM 117 CB CYS A 57 44.842 4.208 0.254 1.00 0.00 C ATOM 118 SG CYS A 57 43.542 4.608 1.444 1.00 0.00 S ATOM 0 H CYS A 57 43.573 3.403 -2.202 1.00 0.00 H new ATOM 0 HA CYS A 57 44.510 5.920 -1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 57 44.893 3.125 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.801 4.530 0.659 1.00 0.00 H new ATOM 0 HG CYS A 57 42.638 5.344 0.868 1.00 0.00 H new ATOM 124 N SER A 58 46.857 5.495 -1.841 1.00 0.00 N ATOM 125 CA SER A 58 48.115 5.381 -2.563 1.00 0.00 C ATOM 126 C SER A 58 49.245 5.174 -1.568 1.00 0.00 C ATOM 127 O SER A 58 49.125 5.558 -0.405 1.00 0.00 O ATOM 128 CB SER A 58 48.372 6.635 -3.400 1.00 0.00 C ATOM 129 OG SER A 58 47.166 7.333 -3.660 1.00 0.00 O ATOM 0 H SER A 58 46.794 6.315 -1.238 1.00 0.00 H new ATOM 0 HA SER A 58 48.062 4.528 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.068 7.289 -2.875 1.00 0.00 H new ATOM 0 HB3 SER A 58 48.844 6.356 -4.342 1.00 0.00 H new ATOM 0 HG SER A 58 47.372 8.206 -4.054 1.00 0.00 H new ATOM 135 N HIS A 59 50.337 4.561 -2.007 1.00 0.00 N ATOM 136 CA HIS A 59 51.454 4.318 -1.107 1.00 0.00 C ATOM 137 C HIS A 59 52.802 4.426 -1.817 1.00 0.00 C ATOM 138 O HIS A 59 52.878 4.433 -3.045 1.00 0.00 O ATOM 139 CB HIS A 59 51.310 2.945 -0.438 1.00 0.00 C ATOM 140 CG HIS A 59 51.871 1.810 -1.244 1.00 0.00 C ATOM 141 ND1 HIS A 59 52.508 0.725 -0.677 1.00 0.00 N ATOM 142 CD2 HIS A 59 51.899 1.602 -2.583 1.00 0.00 C ATOM 143 CE1 HIS A 59 52.904 -0.099 -1.632 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.546 0.410 -2.796 1.00 0.00 N ATOM 0 H HIS A 59 50.472 4.229 -2.962 1.00 0.00 H new ATOM 0 HA HIS A 59 51.429 5.094 -0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.809 2.970 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.254 2.754 -0.248 1.00 0.00 H new ATOM 0 HD1 HIS A 59 52.651 0.581 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 59 51.489 2.253 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 59 53.431 -1.030 -1.485 1.00 0.00 H new ATOM 153 N LEU A 60 53.860 4.506 -1.018 1.00 0.00 N ATOM 154 CA LEU A 60 55.218 4.610 -1.533 1.00 0.00 C ATOM 155 C LEU A 60 56.154 3.712 -0.732 1.00 0.00 C ATOM 156 O LEU A 60 56.314 3.891 0.475 1.00 0.00 O ATOM 157 CB LEU A 60 55.705 6.058 -1.459 1.00 0.00 C ATOM 158 CG LEU A 60 56.911 6.386 -2.341 1.00 0.00 C ATOM 159 CD1 LEU A 60 57.347 7.823 -2.125 1.00 0.00 C ATOM 160 CD2 LEU A 60 58.064 5.439 -2.054 1.00 0.00 C ATOM 0 H LEU A 60 53.800 4.501 0.000 1.00 0.00 H new ATOM 0 HA LEU A 60 55.218 4.289 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 54.882 6.716 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 60 55.959 6.286 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 60 56.615 6.260 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.206 8.042 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 56.527 8.494 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 60 57.622 7.967 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.910 5.692 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 60 58.359 5.531 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 60 57.752 4.414 -2.254 1.00 0.00 H new ATOM 172 N LEU A 61 56.770 2.749 -1.405 1.00 0.00 N ATOM 173 CA LEU A 61 57.688 1.831 -0.743 1.00 0.00 C ATOM 174 C LEU A 61 59.128 2.325 -0.857 1.00 0.00 C ATOM 175 O LEU A 61 59.533 2.864 -1.888 1.00 0.00 O ATOM 176 CB LEU A 61 57.570 0.430 -1.357 1.00 0.00 C ATOM 177 CG LEU A 61 58.703 -0.540 -1.008 1.00 0.00 C ATOM 178 CD1 LEU A 61 58.604 -0.976 0.444 1.00 0.00 C ATOM 179 CD2 LEU A 61 58.674 -1.750 -1.929 1.00 0.00 C ATOM 0 H LEU A 61 56.652 2.583 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 61 57.419 1.785 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.626 -0.010 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 61 57.522 0.530 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 61 59.652 -0.023 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.417 -1.665 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 61 58.675 -0.102 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 61 57.649 -1.474 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.486 -2.427 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.721 -2.267 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.794 -1.424 -2.962 1.00 0.00 H new ATOM 191 N VAL A 62 59.898 2.122 0.205 1.00 0.00 N ATOM 192 CA VAL A 62 61.298 2.526 0.226 1.00 0.00 C ATOM 193 C VAL A 62 62.105 1.579 1.109 1.00 0.00 C ATOM 194 O VAL A 62 62.241 1.800 2.314 1.00 0.00 O ATOM 195 CB VAL A 62 61.469 3.973 0.739 1.00 0.00 C ATOM 196 CG1 VAL A 62 62.939 4.308 0.954 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.835 4.961 -0.227 1.00 0.00 C ATOM 0 H VAL A 62 59.575 1.679 1.065 1.00 0.00 H new ATOM 0 HA VAL A 62 61.665 2.482 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 62 60.960 4.051 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 62 63.030 5.332 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.364 3.625 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.477 4.207 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.966 5.975 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 62 61.313 4.874 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.771 4.744 -0.323 1.00 0.00 H new ATOM 207 N LYS A 63 62.634 0.521 0.506 1.00 0.00 N ATOM 208 CA LYS A 63 63.420 -0.462 1.241 1.00 0.00 C ATOM 209 C LYS A 63 64.615 0.186 1.921 1.00 0.00 C ATOM 210 O LYS A 63 65.020 1.296 1.574 1.00 0.00 O ATOM 211 CB LYS A 63 63.893 -1.574 0.302 1.00 0.00 C ATOM 212 CG LYS A 63 62.774 -2.488 -0.175 1.00 0.00 C ATOM 213 CD LYS A 63 62.821 -2.691 -1.680 1.00 0.00 C ATOM 214 CE LYS A 63 61.736 -3.649 -2.147 1.00 0.00 C ATOM 215 NZ LYS A 63 62.273 -5.014 -2.403 1.00 0.00 N ATOM 0 H LYS A 63 62.533 0.322 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 63 62.781 -0.892 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.377 -1.124 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 63 64.647 -2.173 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 63 62.853 -3.453 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 63 61.811 -2.062 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 62.701 -1.731 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 63 63.799 -3.080 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 63 60.951 -3.703 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 63 61.278 -3.263 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 61.496 -5.705 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 62.719 -5.041 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 62.979 -5.251 -1.677 1.00 0.00 H new ATOM 229 N HIS A 64 65.173 -0.523 2.892 1.00 0.00 N ATOM 230 CA HIS A 64 66.321 -0.033 3.636 1.00 0.00 C ATOM 231 C HIS A 64 67.337 -1.153 3.849 1.00 0.00 C ATOM 232 O HIS A 64 67.122 -2.287 3.425 1.00 0.00 O ATOM 233 CB HIS A 64 65.874 0.546 4.979 1.00 0.00 C ATOM 234 CG HIS A 64 64.829 -0.272 5.677 1.00 0.00 C ATOM 235 ND1 HIS A 64 64.991 -1.609 5.968 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.610 0.070 6.160 1.00 0.00 C ATOM 237 CE1 HIS A 64 63.922 -2.054 6.600 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.068 -1.056 6.730 1.00 0.00 N ATOM 0 H HIS A 64 64.846 -1.444 3.183 1.00 0.00 H new ATOM 0 HA HIS A 64 66.798 0.758 3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 64 66.743 0.639 5.630 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.486 1.552 4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.150 1.046 6.107 1.00 0.00 H new ATOM 0 HE1 HIS A 64 63.771 -3.064 6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.154 -1.112 7.180 1.00 0.00 H new ATOM 247 N SER A 65 68.447 -0.826 4.500 1.00 0.00 N ATOM 248 CA SER A 65 69.501 -1.804 4.756 1.00 0.00 C ATOM 249 C SER A 65 68.968 -3.032 5.492 1.00 0.00 C ATOM 250 O SER A 65 69.524 -4.124 5.376 1.00 0.00 O ATOM 251 CB SER A 65 70.626 -1.161 5.570 1.00 0.00 C ATOM 252 OG SER A 65 70.945 0.126 5.073 1.00 0.00 O ATOM 0 H SER A 65 68.642 0.108 4.861 1.00 0.00 H new ATOM 0 HA SER A 65 69.887 -2.133 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 65 70.326 -1.086 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 71.511 -1.796 5.537 1.00 0.00 H new ATOM 0 HG SER A 65 71.665 0.515 5.611 1.00 0.00 H new ATOM 258 N GLN A 66 67.899 -2.847 6.260 1.00 0.00 N ATOM 259 CA GLN A 66 67.310 -3.943 7.026 1.00 0.00 C ATOM 260 C GLN A 66 66.169 -4.635 6.276 1.00 0.00 C ATOM 261 O GLN A 66 65.476 -5.479 6.847 1.00 0.00 O ATOM 262 CB GLN A 66 66.793 -3.426 8.370 1.00 0.00 C ATOM 263 CG GLN A 66 67.896 -2.984 9.317 1.00 0.00 C ATOM 264 CD GLN A 66 67.356 -2.391 10.604 1.00 0.00 C ATOM 265 OE1 GLN A 66 67.412 -1.179 10.815 1.00 0.00 O ATOM 266 NE2 GLN A 66 66.830 -3.246 11.475 1.00 0.00 N ATOM 0 H GLN A 66 67.423 -1.952 6.369 1.00 0.00 H new ATOM 0 HA GLN A 66 68.098 -4.680 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.120 -2.587 8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 66 66.206 -4.209 8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 66 68.531 -3.838 9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 66 68.525 -2.247 8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 66 66.804 -4.243 11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 66 66.452 -2.906 12.359 1.00 0.00 H new ATOM 275 N SER A 67 65.967 -4.291 5.006 1.00 0.00 N ATOM 276 CA SER A 67 64.900 -4.906 4.223 1.00 0.00 C ATOM 277 C SER A 67 65.189 -6.380 3.974 1.00 0.00 C ATOM 278 O SER A 67 66.329 -6.761 3.705 1.00 0.00 O ATOM 279 CB SER A 67 64.717 -4.181 2.891 1.00 0.00 C ATOM 280 OG SER A 67 65.947 -4.062 2.200 1.00 0.00 O ATOM 0 H SER A 67 66.521 -3.598 4.503 1.00 0.00 H new ATOM 0 HA SER A 67 63.977 -4.823 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 67 64.001 -4.724 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.299 -3.190 3.068 1.00 0.00 H new ATOM 0 HG SER A 67 66.333 -3.178 2.370 1.00 0.00 H new ATOM 286 N ARG A 68 64.151 -7.209 4.053 1.00 0.00 N ATOM 287 CA ARG A 68 64.306 -8.641 3.823 1.00 0.00 C ATOM 288 C ARG A 68 64.887 -8.902 2.436 1.00 0.00 C ATOM 289 O ARG A 68 65.539 -9.920 2.203 1.00 0.00 O ATOM 290 CB ARG A 68 62.961 -9.357 3.976 1.00 0.00 C ATOM 291 CG ARG A 68 61.946 -8.997 2.901 1.00 0.00 C ATOM 292 CD ARG A 68 60.909 -10.096 2.730 1.00 0.00 C ATOM 293 NE ARG A 68 60.170 -9.964 1.477 1.00 0.00 N ATOM 294 CZ ARG A 68 59.059 -10.641 1.197 1.00 0.00 C ATOM 295 NH1 ARG A 68 58.556 -11.497 2.079 1.00 0.00 N ATOM 296 NH2 ARG A 68 58.447 -10.462 0.034 1.00 0.00 N ATOM 0 H ARG A 68 63.199 -6.915 4.273 1.00 0.00 H new ATOM 0 HA ARG A 68 64.997 -9.034 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 68 63.129 -10.434 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.542 -9.117 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 68 61.449 -8.063 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 68 62.460 -8.828 1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 68 61.403 -11.067 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 68 60.211 -10.069 3.567 1.00 0.00 H new ATOM 0 HE ARG A 68 60.526 -9.315 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 68 59.021 -11.638 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 57.704 -12.014 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 68 58.828 -9.805 -0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 68 57.596 -10.981 -0.180 1.00 0.00 H new ATOM 310 N ARG A 69 64.650 -7.966 1.520 1.00 0.00 N ATOM 311 CA ARG A 69 65.149 -8.076 0.156 1.00 0.00 C ATOM 312 C ARG A 69 65.318 -6.690 -0.459 1.00 0.00 C ATOM 313 O ARG A 69 64.429 -6.198 -1.154 1.00 0.00 O ATOM 314 CB ARG A 69 64.198 -8.919 -0.696 1.00 0.00 C ATOM 315 CG ARG A 69 64.908 -9.764 -1.745 1.00 0.00 C ATOM 316 CD ARG A 69 64.382 -9.483 -3.145 1.00 0.00 C ATOM 317 NE ARG A 69 63.611 -10.607 -3.676 1.00 0.00 N ATOM 318 CZ ARG A 69 62.715 -10.497 -4.656 1.00 0.00 C ATOM 319 NH1 ARG A 69 62.467 -9.317 -5.210 1.00 0.00 N ATOM 320 NH2 ARG A 69 62.065 -11.570 -5.082 1.00 0.00 N ATOM 0 H ARG A 69 64.112 -7.119 1.702 1.00 0.00 H new ATOM 0 HA ARG A 69 66.121 -8.569 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.622 -9.574 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 69 63.487 -8.259 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 69 65.979 -9.562 -1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 69 64.775 -10.820 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 69 63.756 -8.591 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 69 65.218 -9.270 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 69 63.769 -11.530 -3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.964 -8.487 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 69 61.780 -9.240 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.251 -12.480 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 69 61.379 -11.486 -5.832 1.00 0.00 H new ATOM 334 N PRO A 70 66.464 -6.038 -0.202 1.00 0.00 N ATOM 335 CA PRO A 70 66.745 -4.697 -0.727 1.00 0.00 C ATOM 336 C PRO A 70 67.033 -4.706 -2.224 1.00 0.00 C ATOM 337 O PRO A 70 68.186 -4.774 -2.648 1.00 0.00 O ATOM 338 CB PRO A 70 67.983 -4.264 0.061 1.00 0.00 C ATOM 339 CG PRO A 70 68.665 -5.537 0.424 1.00 0.00 C ATOM 340 CD PRO A 70 67.573 -6.554 0.622 1.00 0.00 C ATOM 0 HA PRO A 70 65.894 -4.025 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 70 68.631 -3.625 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.708 -3.695 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 70 69.351 -5.850 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 70 69.256 -5.417 1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.886 -7.546 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 70 67.288 -6.637 1.671 1.00 0.00 H new ATOM 348 N SER A 71 65.970 -4.633 -3.021 1.00 0.00 N ATOM 349 CA SER A 71 66.096 -4.630 -4.474 1.00 0.00 C ATOM 350 C SER A 71 64.746 -4.365 -5.133 1.00 0.00 C ATOM 351 O SER A 71 63.707 -4.792 -4.629 1.00 0.00 O ATOM 352 CB SER A 71 66.662 -5.965 -4.962 1.00 0.00 C ATOM 353 OG SER A 71 66.978 -5.912 -6.342 1.00 0.00 O ATOM 0 H SER A 71 65.009 -4.575 -2.683 1.00 0.00 H new ATOM 0 HA SER A 71 66.782 -3.830 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 71 67.556 -6.215 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 71 65.937 -6.758 -4.782 1.00 0.00 H new ATOM 0 HG SER A 71 67.339 -6.777 -6.628 1.00 0.00 H new ATOM 359 N SER A 72 64.768 -3.660 -6.259 1.00 0.00 N ATOM 360 CA SER A 72 63.542 -3.341 -6.982 1.00 0.00 C ATOM 361 C SER A 72 63.850 -2.867 -8.400 1.00 0.00 C ATOM 362 O SER A 72 65.008 -2.787 -8.803 1.00 0.00 O ATOM 363 CB SER A 72 62.750 -2.266 -6.234 1.00 0.00 C ATOM 364 OG SER A 72 62.392 -2.707 -4.936 1.00 0.00 O ATOM 0 H SER A 72 65.619 -3.299 -6.690 1.00 0.00 H new ATOM 0 HA SER A 72 62.942 -4.249 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 72 63.345 -1.356 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 72 61.851 -2.014 -6.797 1.00 0.00 H new ATOM 0 HG SER A 72 62.463 -3.683 -4.891 1.00 0.00 H new ATOM 370 N TRP A 73 62.805 -2.550 -9.152 1.00 0.00 N ATOM 371 CA TRP A 73 62.966 -2.084 -10.525 1.00 0.00 C ATOM 372 C TRP A 73 63.771 -0.786 -10.584 1.00 0.00 C ATOM 373 O TRP A 73 64.245 -0.391 -11.650 1.00 0.00 O ATOM 374 CB TRP A 73 61.598 -1.877 -11.181 1.00 0.00 C ATOM 375 CG TRP A 73 60.702 -0.951 -10.416 1.00 0.00 C ATOM 376 CD1 TRP A 73 59.968 -1.252 -9.305 1.00 0.00 C ATOM 377 CD2 TRP A 73 60.441 0.426 -10.709 1.00 0.00 C ATOM 378 NE1 TRP A 73 59.269 -0.147 -8.887 1.00 0.00 N ATOM 379 CE2 TRP A 73 59.543 0.895 -9.733 1.00 0.00 C ATOM 380 CE3 TRP A 73 60.881 1.308 -11.700 1.00 0.00 C ATOM 381 CZ2 TRP A 73 59.076 2.206 -9.719 1.00 0.00 C ATOM 382 CZ3 TRP A 73 60.416 2.611 -11.685 1.00 0.00 C ATOM 383 CH2 TRP A 73 59.522 3.048 -10.700 1.00 0.00 C ATOM 0 H TRP A 73 61.837 -2.606 -8.836 1.00 0.00 H new ATOM 0 HA TRP A 73 63.516 -2.850 -11.071 1.00 0.00 H new ATOM 0 HB2 TRP A 73 61.742 -1.482 -12.187 1.00 0.00 H new ATOM 0 HB3 TRP A 73 61.104 -2.843 -11.286 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.941 -2.219 -8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.648 -0.108 -8.079 1.00 0.00 H new ATOM 0 HE3 TRP A 73 61.571 0.979 -12.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 58.386 2.546 -8.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 60.748 3.302 -12.445 1.00 0.00 H new ATOM 0 HH2 TRP A 73 59.177 4.071 -10.715 1.00 0.00 H new ATOM 394 N ARG A 74 63.920 -0.119 -9.440 1.00 0.00 N ATOM 395 CA ARG A 74 64.663 1.135 -9.383 1.00 0.00 C ATOM 396 C ARG A 74 66.070 0.932 -8.822 1.00 0.00 C ATOM 397 O ARG A 74 66.971 1.727 -9.093 1.00 0.00 O ATOM 398 CB ARG A 74 63.909 2.158 -8.531 1.00 0.00 C ATOM 399 CG ARG A 74 62.769 2.841 -9.269 1.00 0.00 C ATOM 400 CD ARG A 74 63.281 3.714 -10.404 1.00 0.00 C ATOM 401 NE ARG A 74 63.184 5.137 -10.087 1.00 0.00 N ATOM 402 CZ ARG A 74 63.186 6.105 -11.003 1.00 0.00 C ATOM 403 NH1 ARG A 74 63.282 5.807 -12.292 1.00 0.00 N ATOM 404 NH2 ARG A 74 63.093 7.372 -10.627 1.00 0.00 N ATOM 0 H ARG A 74 63.537 -0.426 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 74 64.757 1.508 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.512 1.660 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.611 2.916 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.089 2.088 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.196 3.450 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.319 3.460 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.710 3.504 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 74 63.110 5.406 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.355 4.833 -12.586 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.283 6.552 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.020 7.606 -9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.095 8.113 -11.328 1.00 0.00 H new ATOM 418 N GLN A 75 66.259 -0.126 -8.036 1.00 0.00 N ATOM 419 CA GLN A 75 67.568 -0.405 -7.446 1.00 0.00 C ATOM 420 C GLN A 75 67.812 -1.903 -7.326 1.00 0.00 C ATOM 421 O GLN A 75 66.896 -2.710 -7.455 1.00 0.00 O ATOM 422 CB GLN A 75 67.683 0.249 -6.068 1.00 0.00 C ATOM 423 CG GLN A 75 69.113 0.374 -5.563 1.00 0.00 C ATOM 424 CD GLN A 75 70.046 0.989 -6.586 1.00 0.00 C ATOM 425 OE1 GLN A 75 69.681 1.932 -7.290 1.00 0.00 O ATOM 426 NE2 GLN A 75 71.259 0.457 -6.677 1.00 0.00 N ATOM 0 H GLN A 75 65.531 -0.798 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 75 68.325 0.015 -8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 75 67.234 1.242 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 75 67.104 -0.333 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 75 69.122 0.982 -4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 75 69.484 -0.613 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 75 71.520 -0.323 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 75 71.930 0.829 -7.349 1.00 0.00 H new ATOM 435 N GLU A 76 69.062 -2.265 -7.072 1.00 0.00 N ATOM 436 CA GLU A 76 69.436 -3.668 -6.931 1.00 0.00 C ATOM 437 C GLU A 76 70.059 -3.937 -5.564 1.00 0.00 C ATOM 438 O GLU A 76 69.846 -4.996 -4.974 1.00 0.00 O ATOM 439 CB GLU A 76 70.413 -4.070 -8.039 1.00 0.00 C ATOM 440 CG GLU A 76 70.166 -5.468 -8.585 1.00 0.00 C ATOM 441 CD GLU A 76 71.299 -5.960 -9.462 1.00 0.00 C ATOM 442 OE1 GLU A 76 72.102 -5.121 -9.923 1.00 0.00 O ATOM 443 OE2 GLU A 76 71.385 -7.185 -9.691 1.00 0.00 O ATOM 0 H GLU A 76 69.834 -1.608 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 76 68.530 -4.268 -7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.341 -3.351 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.431 -4.013 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 76 70.028 -6.160 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 76 69.239 -5.471 -9.159 1.00 0.00 H new ATOM 450 N LYS A 77 70.828 -2.975 -5.067 1.00 0.00 N ATOM 451 CA LYS A 77 71.481 -3.112 -3.772 1.00 0.00 C ATOM 452 C LYS A 77 71.111 -1.952 -2.853 1.00 0.00 C ATOM 453 O LYS A 77 71.859 -0.982 -2.728 1.00 0.00 O ATOM 454 CB LYS A 77 72.999 -3.172 -3.946 1.00 0.00 C ATOM 455 CG LYS A 77 73.548 -2.099 -4.871 1.00 0.00 C ATOM 456 CD LYS A 77 75.053 -2.232 -5.049 1.00 0.00 C ATOM 457 CE LYS A 77 75.399 -2.948 -6.345 1.00 0.00 C ATOM 458 NZ LYS A 77 74.697 -2.352 -7.515 1.00 0.00 N ATOM 0 H LYS A 77 71.014 -2.092 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 77 71.137 -4.040 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.472 -3.075 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.273 -4.152 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 77 73.058 -2.169 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 77 73.314 -1.114 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 77 75.510 -1.242 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 77 75.473 -2.780 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 77 76.476 -2.904 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 77 75.132 -4.001 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 75.301 -2.429 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 73.805 -2.860 -7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 74.494 -1.350 -7.325 1.00 0.00 H new ATOM 472 N ILE A 78 69.952 -2.058 -2.211 1.00 0.00 N ATOM 473 CA ILE A 78 69.484 -1.018 -1.304 1.00 0.00 C ATOM 474 C ILE A 78 70.082 -1.198 0.087 1.00 0.00 C ATOM 475 O ILE A 78 69.719 -2.120 0.817 1.00 0.00 O ATOM 476 CB ILE A 78 67.947 -1.011 -1.200 1.00 0.00 C ATOM 477 CG1 ILE A 78 67.321 -1.022 -2.595 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.475 0.201 -0.410 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.807 -1.011 -2.582 1.00 0.00 C ATOM 0 H ILE A 78 69.320 -2.854 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 78 69.812 -0.064 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 78 67.628 -1.910 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 78 67.677 -0.154 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 78 67.665 -1.907 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.387 0.192 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 78 67.899 0.168 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.801 1.112 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.434 -1.020 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.441 -1.892 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.454 -0.113 -2.075 1.00 0.00 H new ATOM 491 N THR A 79 70.999 -0.307 0.446 1.00 0.00 N ATOM 492 CA THR A 79 71.651 -0.359 1.748 1.00 0.00 C ATOM 493 C THR A 79 71.490 0.969 2.480 1.00 0.00 C ATOM 494 O THR A 79 72.424 1.464 3.108 1.00 0.00 O ATOM 495 CB THR A 79 73.136 -0.692 1.589 1.00 0.00 C ATOM 496 OG1 THR A 79 73.826 0.375 0.962 1.00 0.00 O ATOM 497 CG2 THR A 79 73.385 -1.942 0.773 1.00 0.00 C ATOM 0 H THR A 79 71.308 0.462 -0.149 1.00 0.00 H new ATOM 0 HA THR A 79 71.176 -1.143 2.337 1.00 0.00 H new ATOM 0 HB THR A 79 73.504 -0.859 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 79 74.774 0.143 0.871 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.458 -2.121 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 79 72.908 -2.794 1.258 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.969 -1.813 -0.226 1.00 0.00 H new ATOM 505 N ARG A 80 70.293 1.536 2.392 1.00 0.00 N ATOM 506 CA ARG A 80 70.001 2.808 3.047 1.00 0.00 C ATOM 507 C ARG A 80 69.545 2.574 4.484 1.00 0.00 C ATOM 508 O ARG A 80 68.536 1.911 4.724 1.00 0.00 O ATOM 509 CB ARG A 80 68.924 3.615 2.289 1.00 0.00 C ATOM 510 CG ARG A 80 68.528 3.057 0.924 1.00 0.00 C ATOM 511 CD ARG A 80 69.356 3.667 -0.194 1.00 0.00 C ATOM 512 NE ARG A 80 70.716 3.133 -0.230 1.00 0.00 N ATOM 513 CZ ARG A 80 71.714 3.692 -0.908 1.00 0.00 C ATOM 514 NH1 ARG A 80 71.508 4.801 -1.609 1.00 0.00 N ATOM 515 NH2 ARG A 80 72.920 3.143 -0.888 1.00 0.00 N ATOM 0 H ARG A 80 69.509 1.137 1.875 1.00 0.00 H new ATOM 0 HA ARG A 80 70.923 3.389 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 80 68.031 3.672 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 80 69.285 4.635 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 80 68.656 1.975 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 80 67.471 3.254 0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 80 68.868 3.477 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 80 69.396 4.749 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 80 70.911 2.281 0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 80 70.582 5.227 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 80 72.276 5.227 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 80 73.084 2.291 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 80 73.685 3.573 -1.409 1.00 0.00 H new ATOM 529 N THR A 81 70.292 3.124 5.436 1.00 0.00 N ATOM 530 CA THR A 81 69.958 2.971 6.847 1.00 0.00 C ATOM 531 C THR A 81 68.579 3.552 7.142 1.00 0.00 C ATOM 532 O THR A 81 67.906 4.061 6.246 1.00 0.00 O ATOM 533 CB THR A 81 71.011 3.653 7.724 1.00 0.00 C ATOM 534 OG1 THR A 81 71.355 4.926 7.203 1.00 0.00 O ATOM 535 CG2 THR A 81 72.287 2.847 7.860 1.00 0.00 C ATOM 0 H THR A 81 71.130 3.678 5.257 1.00 0.00 H new ATOM 0 HA THR A 81 69.943 1.906 7.077 1.00 0.00 H new ATOM 0 HB THR A 81 70.552 3.745 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 81 72.028 5.345 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 81 72.992 3.386 8.494 1.00 0.00 H new ATOM 0 HG22 THR A 81 72.060 1.880 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.728 2.695 6.875 1.00 0.00 H new ATOM 543 N LYS A 82 68.164 3.470 8.401 1.00 0.00 N ATOM 544 CA LYS A 82 66.861 3.986 8.813 1.00 0.00 C ATOM 545 C LYS A 82 66.700 5.450 8.413 1.00 0.00 C ATOM 546 O LYS A 82 65.790 5.802 7.662 1.00 0.00 O ATOM 547 CB LYS A 82 66.686 3.840 10.325 1.00 0.00 C ATOM 548 CG LYS A 82 65.282 3.435 10.739 1.00 0.00 C ATOM 549 CD LYS A 82 65.290 2.627 12.028 1.00 0.00 C ATOM 550 CE LYS A 82 63.985 2.784 12.793 1.00 0.00 C ATOM 551 NZ LYS A 82 64.078 3.841 13.839 1.00 0.00 N ATOM 0 H LYS A 82 68.709 3.052 9.155 1.00 0.00 H new ATOM 0 HA LYS A 82 66.093 3.403 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 82 67.393 3.097 10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 82 66.938 4.786 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 82 64.670 4.327 10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 82 64.822 2.848 9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 82 65.453 1.574 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 82 66.121 2.949 12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 82 63.184 3.032 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 82 63.721 1.835 13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 63.169 3.917 14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 64.825 3.593 14.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 64.305 4.752 13.392 1.00 0.00 H new ATOM 565 N GLU A 83 67.588 6.299 8.920 1.00 0.00 N ATOM 566 CA GLU A 83 67.548 7.727 8.621 1.00 0.00 C ATOM 567 C GLU A 83 67.471 7.980 7.116 1.00 0.00 C ATOM 568 O GLU A 83 66.629 8.743 6.648 1.00 0.00 O ATOM 569 CB GLU A 83 68.782 8.423 9.198 1.00 0.00 C ATOM 570 CG GLU A 83 68.606 8.880 10.637 1.00 0.00 C ATOM 571 CD GLU A 83 68.227 7.746 11.567 1.00 0.00 C ATOM 572 OE1 GLU A 83 69.089 6.883 11.833 1.00 0.00 O ATOM 573 OE2 GLU A 83 67.066 7.718 12.027 1.00 0.00 O ATOM 0 H GLU A 83 68.347 6.022 9.542 1.00 0.00 H new ATOM 0 HA GLU A 83 66.650 8.137 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.632 7.742 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.025 9.286 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.533 9.336 10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.836 9.651 10.678 1.00 0.00 H new ATOM 580 N GLU A 84 68.364 7.341 6.368 1.00 0.00 N ATOM 581 CA GLU A 84 68.405 7.504 4.917 1.00 0.00 C ATOM 582 C GLU A 84 67.060 7.167 4.277 1.00 0.00 C ATOM 583 O GLU A 84 66.457 8.001 3.603 1.00 0.00 O ATOM 584 CB GLU A 84 69.500 6.623 4.315 1.00 0.00 C ATOM 585 CG GLU A 84 70.901 6.993 4.779 1.00 0.00 C ATOM 586 CD GLU A 84 71.233 8.451 4.529 1.00 0.00 C ATOM 587 OE1 GLU A 84 70.712 9.018 3.547 1.00 0.00 O ATOM 588 OE2 GLU A 84 72.014 9.025 5.316 1.00 0.00 O ATOM 0 H GLU A 84 69.069 6.705 6.741 1.00 0.00 H new ATOM 0 HA GLU A 84 68.627 8.551 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.303 5.583 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 84 69.455 6.694 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 84 70.995 6.781 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.628 6.365 4.263 1.00 0.00 H new ATOM 595 N ALA A 85 66.597 5.942 4.485 1.00 0.00 N ATOM 596 CA ALA A 85 65.327 5.500 3.920 1.00 0.00 C ATOM 597 C ALA A 85 64.171 6.372 4.399 1.00 0.00 C ATOM 598 O ALA A 85 63.284 6.731 3.622 1.00 0.00 O ATOM 599 CB ALA A 85 65.072 4.043 4.273 1.00 0.00 C ATOM 0 H ALA A 85 67.081 5.236 5.040 1.00 0.00 H new ATOM 0 HA ALA A 85 65.391 5.597 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 85 64.121 3.726 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 85 65.875 3.425 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 85 65.037 3.932 5.357 1.00 0.00 H new ATOM 605 N LEU A 86 64.180 6.710 5.685 1.00 0.00 N ATOM 606 CA LEU A 86 63.128 7.538 6.265 1.00 0.00 C ATOM 607 C LEU A 86 63.188 8.963 5.723 1.00 0.00 C ATOM 608 O LEU A 86 62.153 9.569 5.440 1.00 0.00 O ATOM 609 CB LEU A 86 63.243 7.548 7.792 1.00 0.00 C ATOM 610 CG LEU A 86 61.915 7.480 8.549 1.00 0.00 C ATOM 611 CD1 LEU A 86 61.151 8.788 8.406 1.00 0.00 C ATOM 612 CD2 LEU A 86 61.075 6.313 8.052 1.00 0.00 C ATOM 0 H LEU A 86 64.903 6.424 6.345 1.00 0.00 H new ATOM 0 HA LEU A 86 62.166 7.109 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 86 63.861 6.704 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 86 63.768 8.454 8.094 1.00 0.00 H new ATOM 0 HG LEU A 86 62.130 7.322 9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.209 8.721 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 86 61.748 9.604 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 60.948 8.977 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 86 60.135 6.281 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 86 60.869 6.439 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 86 61.618 5.381 8.208 1.00 0.00 H new ATOM 624 N GLU A 87 64.399 9.499 5.575 1.00 0.00 N ATOM 625 CA GLU A 87 64.566 10.855 5.063 1.00 0.00 C ATOM 626 C GLU A 87 63.918 10.990 3.684 1.00 0.00 C ATOM 627 O GLU A 87 63.489 12.076 3.292 1.00 0.00 O ATOM 628 CB GLU A 87 66.054 11.244 5.018 1.00 0.00 C ATOM 629 CG GLU A 87 66.806 10.766 3.783 1.00 0.00 C ATOM 630 CD GLU A 87 67.706 11.837 3.201 1.00 0.00 C ATOM 631 OE1 GLU A 87 67.225 12.971 2.993 1.00 0.00 O ATOM 632 OE2 GLU A 87 68.895 11.543 2.952 1.00 0.00 O ATOM 0 H GLU A 87 65.270 9.019 5.800 1.00 0.00 H new ATOM 0 HA GLU A 87 64.064 11.544 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.132 12.330 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.546 10.842 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 87 67.406 9.893 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 87 66.089 10.447 3.026 1.00 0.00 H new ATOM 639 N LEU A 88 63.837 9.874 2.963 1.00 0.00 N ATOM 640 CA LEU A 88 63.227 9.859 1.640 1.00 0.00 C ATOM 641 C LEU A 88 61.708 9.924 1.763 1.00 0.00 C ATOM 642 O LEU A 88 61.064 10.810 1.203 1.00 0.00 O ATOM 643 CB LEU A 88 63.633 8.593 0.879 1.00 0.00 C ATOM 644 CG LEU A 88 64.836 8.749 -0.056 1.00 0.00 C ATOM 645 CD1 LEU A 88 66.119 8.902 0.746 1.00 0.00 C ATOM 646 CD2 LEU A 88 64.933 7.559 -0.999 1.00 0.00 C ATOM 0 H LEU A 88 64.187 8.968 3.275 1.00 0.00 H new ATOM 0 HA LEU A 88 63.578 10.730 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 88 63.856 7.809 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 88 62.780 8.252 0.293 1.00 0.00 H new ATOM 0 HG LEU A 88 64.696 9.651 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 88 66.963 9.012 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 88 66.048 9.785 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 88 66.267 8.019 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 88 65.793 7.685 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 88 65.051 6.644 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 88 64.025 7.494 -1.598 1.00 0.00 H new ATOM 658 N ILE A 89 61.149 8.979 2.513 1.00 0.00 N ATOM 659 CA ILE A 89 59.706 8.914 2.731 1.00 0.00 C ATOM 660 C ILE A 89 59.171 10.266 3.215 1.00 0.00 C ATOM 661 O ILE A 89 58.160 10.762 2.715 1.00 0.00 O ATOM 662 CB ILE A 89 59.361 7.782 3.742 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.451 6.730 3.088 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.732 8.322 5.024 1.00 0.00 C ATOM 665 CD1 ILE A 89 59.177 5.831 2.109 1.00 0.00 C ATOM 0 H ILE A 89 61.676 8.243 2.983 1.00 0.00 H new ATOM 0 HA ILE A 89 59.221 8.682 1.783 1.00 0.00 H new ATOM 0 HB ILE A 89 60.300 7.306 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 89 58.000 6.116 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.637 7.237 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.510 7.494 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.427 9.007 5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 89 57.810 8.851 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 89 58.475 5.113 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 89 59.605 6.435 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 89 59.974 5.297 2.627 1.00 0.00 H new ATOM 677 N ASN A 90 59.864 10.863 4.182 1.00 0.00 N ATOM 678 CA ASN A 90 59.466 12.159 4.721 1.00 0.00 C ATOM 679 C ASN A 90 59.548 13.239 3.647 1.00 0.00 C ATOM 680 O ASN A 90 58.559 13.914 3.354 1.00 0.00 O ATOM 681 CB ASN A 90 60.354 12.535 5.909 1.00 0.00 C ATOM 682 CG ASN A 90 59.944 13.847 6.548 1.00 0.00 C ATOM 683 OD1 ASN A 90 58.756 14.118 6.729 1.00 0.00 O ATOM 684 ND2 ASN A 90 60.926 14.671 6.893 1.00 0.00 N ATOM 0 H ASN A 90 60.703 10.469 4.607 1.00 0.00 H new ATOM 0 HA ASN A 90 58.433 12.084 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 90 60.311 11.742 6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 90 61.390 12.605 5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 90 60.710 15.569 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 90 61.897 14.406 6.725 1.00 0.00 H new ATOM 691 N GLY A 91 60.729 13.394 3.055 1.00 0.00 N ATOM 692 CA GLY A 91 60.908 14.391 2.013 1.00 0.00 C ATOM 693 C GLY A 91 59.832 14.297 0.950 1.00 0.00 C ATOM 694 O GLY A 91 59.407 15.308 0.389 1.00 0.00 O ATOM 0 H GLY A 91 61.563 12.850 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.894 15.386 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.887 14.262 1.551 1.00 0.00 H new ATOM 698 N TYR A 92 59.385 13.075 0.683 1.00 0.00 N ATOM 699 CA TYR A 92 58.345 12.837 -0.305 1.00 0.00 C ATOM 700 C TYR A 92 57.020 13.425 0.169 1.00 0.00 C ATOM 701 O TYR A 92 56.258 13.982 -0.619 1.00 0.00 O ATOM 702 CB TYR A 92 58.202 11.335 -0.565 1.00 0.00 C ATOM 703 CG TYR A 92 59.432 10.712 -1.190 1.00 0.00 C ATOM 704 CD1 TYR A 92 60.168 11.392 -2.152 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.857 9.445 -0.814 1.00 0.00 C ATOM 706 CE1 TYR A 92 61.295 10.829 -2.718 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.982 8.874 -1.376 1.00 0.00 C ATOM 708 CZ TYR A 92 61.697 9.569 -2.326 1.00 0.00 C ATOM 709 OH TYR A 92 62.819 9.003 -2.886 1.00 0.00 O ATOM 0 H TYR A 92 59.730 12.231 1.141 1.00 0.00 H new ATOM 0 HA TYR A 92 58.626 13.328 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.987 10.830 0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 92 57.347 11.167 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.854 12.377 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 92 59.299 8.897 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 92 61.858 11.372 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 92 61.299 7.887 -1.072 1.00 0.00 H new ATOM 0 HH TYR A 92 63.039 9.469 -3.719 1.00 0.00 H new ATOM 719 N ILE A 93 56.763 13.309 1.470 1.00 0.00 N ATOM 720 CA ILE A 93 55.539 13.843 2.057 1.00 0.00 C ATOM 721 C ILE A 93 55.456 15.352 1.839 1.00 0.00 C ATOM 722 O ILE A 93 54.379 15.899 1.599 1.00 0.00 O ATOM 723 CB ILE A 93 55.462 13.528 3.573 1.00 0.00 C ATOM 724 CG1 ILE A 93 54.933 12.112 3.794 1.00 0.00 C ATOM 725 CG2 ILE A 93 54.583 14.537 4.303 1.00 0.00 C ATOM 726 CD1 ILE A 93 55.120 11.614 5.211 1.00 0.00 C ATOM 0 H ILE A 93 57.385 12.851 2.136 1.00 0.00 H new ATOM 0 HA ILE A 93 54.696 13.362 1.561 1.00 0.00 H new ATOM 0 HB ILE A 93 56.470 13.599 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 93 53.872 12.086 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 93 55.439 11.432 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 93 54.549 14.289 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 93 54.996 15.538 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 93 53.574 14.506 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 93 54.722 10.603 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 93 56.182 11.608 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 93 54.591 12.272 5.901 1.00 0.00 H new ATOM 738 N GLN A 94 56.602 16.022 1.930 1.00 0.00 N ATOM 739 CA GLN A 94 56.662 17.468 1.751 1.00 0.00 C ATOM 740 C GLN A 94 56.302 17.871 0.322 1.00 0.00 C ATOM 741 O GLN A 94 55.349 18.620 0.101 1.00 0.00 O ATOM 742 CB GLN A 94 58.058 17.988 2.098 1.00 0.00 C ATOM 743 CG GLN A 94 58.177 19.502 2.032 1.00 0.00 C ATOM 744 CD GLN A 94 58.031 20.159 3.390 1.00 0.00 C ATOM 745 OE1 GLN A 94 57.226 21.072 3.568 1.00 0.00 O ATOM 746 NE2 GLN A 94 58.811 19.693 4.359 1.00 0.00 N ATOM 0 H GLN A 94 57.502 15.585 2.127 1.00 0.00 H new ATOM 0 HA GLN A 94 55.931 17.914 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 94 58.322 17.655 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 94 58.782 17.545 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.144 19.768 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 94 57.414 19.894 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 94 59.465 18.934 4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 94 58.756 20.094 5.295 1.00 0.00 H new ATOM 755 N LYS A 95 57.072 17.376 -0.644 1.00 0.00 N ATOM 756 CA LYS A 95 56.838 17.691 -2.054 1.00 0.00 C ATOM 757 C LYS A 95 55.364 17.541 -2.424 1.00 0.00 C ATOM 758 O LYS A 95 54.781 18.415 -3.070 1.00 0.00 O ATOM 759 CB LYS A 95 57.694 16.789 -2.945 1.00 0.00 C ATOM 760 CG LYS A 95 59.182 16.873 -2.646 1.00 0.00 C ATOM 761 CD LYS A 95 59.861 15.521 -2.798 1.00 0.00 C ATOM 762 CE LYS A 95 61.368 15.667 -2.938 1.00 0.00 C ATOM 763 NZ LYS A 95 62.069 14.362 -2.795 1.00 0.00 N ATOM 0 H LYS A 95 57.864 16.755 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 95 57.121 18.731 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 95 57.366 15.757 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 95 57.526 17.058 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 95 59.649 17.593 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 95 59.329 17.243 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 95 59.634 14.899 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 95 59.461 15.008 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 95 61.602 16.100 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 95 61.737 16.362 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 62.741 14.414 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 61.372 13.612 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 62.584 14.147 -3.672 1.00 0.00 H new ATOM 777 N ILE A 96 54.765 16.431 -2.009 1.00 0.00 N ATOM 778 CA ILE A 96 53.361 16.168 -2.294 1.00 0.00 C ATOM 779 C ILE A 96 52.473 17.267 -1.718 1.00 0.00 C ATOM 780 O ILE A 96 51.630 17.829 -2.416 1.00 0.00 O ATOM 781 CB ILE A 96 52.923 14.806 -1.725 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.798 13.697 -2.309 1.00 0.00 C ATOM 783 CG2 ILE A 96 51.452 14.543 -2.027 1.00 0.00 C ATOM 784 CD1 ILE A 96 53.852 12.452 -1.449 1.00 0.00 C ATOM 0 H ILE A 96 55.231 15.698 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 96 53.249 16.149 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 96 53.046 14.821 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 96 53.421 13.430 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.810 14.078 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 96 51.164 13.576 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 96 50.842 15.325 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 96 51.297 14.540 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 96 54.491 11.708 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 96 54.257 12.704 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 96 52.847 12.046 -1.333 1.00 0.00 H new ATOM 796 N LYS A 97 52.672 17.566 -0.439 1.00 0.00 N ATOM 797 CA LYS A 97 51.892 18.598 0.235 1.00 0.00 C ATOM 798 C LYS A 97 52.237 19.988 -0.298 1.00 0.00 C ATOM 799 O LYS A 97 51.469 20.934 -0.121 1.00 0.00 O ATOM 800 CB LYS A 97 52.135 18.547 1.744 1.00 0.00 C ATOM 801 CG LYS A 97 51.232 19.482 2.536 1.00 0.00 C ATOM 802 CD LYS A 97 52.019 20.288 3.560 1.00 0.00 C ATOM 803 CE LYS A 97 51.432 20.143 4.956 1.00 0.00 C ATOM 804 NZ LYS A 97 50.132 20.857 5.090 1.00 0.00 N ATOM 0 H LYS A 97 53.366 17.109 0.152 1.00 0.00 H new ATOM 0 HA LYS A 97 50.838 18.405 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 97 51.984 17.526 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 97 53.175 18.802 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 97 50.721 20.161 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 97 50.462 18.901 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 97 53.057 19.957 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 97 52.021 21.339 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 97 51.290 19.086 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 97 52.138 20.534 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 49.766 20.733 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 50.271 21.870 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 49.450 20.467 4.409 1.00 0.00 H new ATOM 818 N SER A 98 53.390 20.110 -0.951 1.00 0.00 N ATOM 819 CA SER A 98 53.817 21.390 -1.501 1.00 0.00 C ATOM 820 C SER A 98 53.188 21.633 -2.869 1.00 0.00 C ATOM 821 O SER A 98 53.113 22.769 -3.336 1.00 0.00 O ATOM 822 CB SER A 98 55.344 21.443 -1.607 1.00 0.00 C ATOM 823 OG SER A 98 55.793 20.894 -2.834 1.00 0.00 O ATOM 0 H SER A 98 54.041 19.341 -1.111 1.00 0.00 H new ATOM 0 HA SER A 98 53.482 22.176 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 98 55.681 22.476 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 98 55.788 20.894 -0.776 1.00 0.00 H new ATOM 0 HG SER A 98 55.529 19.952 -2.887 1.00 0.00 H new ATOM 829 N GLY A 99 52.744 20.557 -3.512 1.00 0.00 N ATOM 830 CA GLY A 99 52.137 20.678 -4.824 1.00 0.00 C ATOM 831 C GLY A 99 53.151 20.545 -5.944 1.00 0.00 C ATOM 832 O GLY A 99 52.817 20.717 -7.115 1.00 0.00 O ATOM 0 H GLY A 99 52.794 19.605 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 99 51.370 19.912 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 99 51.637 21.643 -4.903 1.00 0.00 H new ATOM 836 N GLU A 100 54.394 20.235 -5.583 1.00 0.00 N ATOM 837 CA GLU A 100 55.456 20.078 -6.567 1.00 0.00 C ATOM 838 C GLU A 100 55.451 18.665 -7.138 1.00 0.00 C ATOM 839 O GLU A 100 55.673 18.469 -8.332 1.00 0.00 O ATOM 840 CB GLU A 100 56.817 20.383 -5.936 1.00 0.00 C ATOM 841 CG GLU A 100 57.983 20.212 -6.895 1.00 0.00 C ATOM 842 CD GLU A 100 59.269 20.816 -6.363 1.00 0.00 C ATOM 843 OE1 GLU A 100 59.197 21.638 -5.427 1.00 0.00 O ATOM 844 OE2 GLU A 100 60.348 20.466 -6.886 1.00 0.00 O ATOM 0 H GLU A 100 54.688 20.088 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 100 55.278 20.784 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 100 56.813 21.406 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 100 56.965 19.729 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 100 58.137 19.150 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 100 57.735 20.677 -7.849 1.00 0.00 H new ATOM 851 N GLU A 101 55.197 17.683 -6.278 1.00 0.00 N ATOM 852 CA GLU A 101 55.165 16.292 -6.710 1.00 0.00 C ATOM 853 C GLU A 101 54.037 15.531 -6.022 1.00 0.00 C ATOM 854 O GLU A 101 54.232 14.949 -4.957 1.00 0.00 O ATOM 855 CB GLU A 101 56.506 15.614 -6.420 1.00 0.00 C ATOM 856 CG GLU A 101 57.451 15.599 -7.609 1.00 0.00 C ATOM 857 CD GLU A 101 58.636 14.678 -7.400 1.00 0.00 C ATOM 858 OE1 GLU A 101 59.374 14.874 -6.411 1.00 0.00 O ATOM 859 OE2 GLU A 101 58.827 13.759 -8.225 1.00 0.00 O ATOM 0 H GLU A 101 55.012 17.824 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 101 54.983 16.277 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 101 56.990 16.126 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 101 56.323 14.588 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 101 56.905 15.286 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 101 57.811 16.611 -7.795 1.00 0.00 H new ATOM 866 N ASP A 102 52.859 15.533 -6.642 1.00 0.00 N ATOM 867 CA ASP A 102 51.704 14.832 -6.087 1.00 0.00 C ATOM 868 C ASP A 102 52.093 13.418 -5.677 1.00 0.00 C ATOM 869 O ASP A 102 53.073 12.873 -6.176 1.00 0.00 O ATOM 870 CB ASP A 102 50.562 14.788 -7.105 1.00 0.00 C ATOM 871 CG ASP A 102 51.036 14.408 -8.493 1.00 0.00 C ATOM 872 OD1 ASP A 102 51.424 15.317 -9.258 1.00 0.00 O ATOM 873 OD2 ASP A 102 51.023 13.202 -8.817 1.00 0.00 O ATOM 0 H ASP A 102 52.680 16.010 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 102 51.363 15.375 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 102 49.811 14.072 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 102 50.077 15.763 -7.145 1.00 0.00 H new ATOM 878 N PHE A 103 51.332 12.830 -4.761 1.00 0.00 N ATOM 879 CA PHE A 103 51.618 11.487 -4.290 1.00 0.00 C ATOM 880 C PHE A 103 51.723 10.508 -5.456 1.00 0.00 C ATOM 881 O PHE A 103 52.596 9.642 -5.477 1.00 0.00 O ATOM 882 CB PHE A 103 50.536 11.037 -3.316 1.00 0.00 C ATOM 883 CG PHE A 103 50.974 9.911 -2.427 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.339 8.687 -2.963 1.00 0.00 C ATOM 885 CD2 PHE A 103 51.039 10.085 -1.055 1.00 0.00 C ATOM 886 CE1 PHE A 103 51.763 7.655 -2.143 1.00 0.00 C ATOM 887 CE2 PHE A 103 51.457 9.059 -0.232 1.00 0.00 C ATOM 888 CZ PHE A 103 51.822 7.842 -0.776 1.00 0.00 C ATOM 0 H PHE A 103 50.514 13.264 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 103 52.579 11.500 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 103 50.237 11.884 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 103 49.656 10.726 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.292 8.536 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 103 50.759 11.035 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 103 52.047 6.705 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 103 51.499 9.207 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.153 7.039 -0.134 1.00 0.00 H new ATOM 898 N GLU A 104 50.830 10.659 -6.427 1.00 0.00 N ATOM 899 CA GLU A 104 50.823 9.795 -7.600 1.00 0.00 C ATOM 900 C GLU A 104 52.164 9.846 -8.325 1.00 0.00 C ATOM 901 O GLU A 104 52.873 8.845 -8.406 1.00 0.00 O ATOM 902 CB GLU A 104 49.700 10.207 -8.555 1.00 0.00 C ATOM 903 CG GLU A 104 48.376 10.475 -7.860 1.00 0.00 C ATOM 904 CD GLU A 104 47.188 10.327 -8.790 1.00 0.00 C ATOM 905 OE1 GLU A 104 47.051 9.253 -9.412 1.00 0.00 O ATOM 906 OE2 GLU A 104 46.396 11.287 -8.898 1.00 0.00 O ATOM 0 H GLU A 104 50.101 11.372 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 104 50.651 8.772 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 104 50.005 11.103 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 104 49.559 9.421 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 104 48.264 9.787 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 104 48.385 11.483 -7.446 1.00 0.00 H new ATOM 913 N SER A 105 52.507 11.020 -8.847 1.00 0.00 N ATOM 914 CA SER A 105 53.763 11.197 -9.566 1.00 0.00 C ATOM 915 C SER A 105 54.955 11.023 -8.631 1.00 0.00 C ATOM 916 O SER A 105 56.022 10.573 -9.046 1.00 0.00 O ATOM 917 CB SER A 105 53.812 12.581 -10.217 1.00 0.00 C ATOM 918 OG SER A 105 54.779 12.625 -11.253 1.00 0.00 O ATOM 0 H SER A 105 51.933 11.861 -8.785 1.00 0.00 H new ATOM 0 HA SER A 105 53.817 10.434 -10.343 1.00 0.00 H new ATOM 0 HB2 SER A 105 52.831 12.831 -10.621 1.00 0.00 H new ATOM 0 HB3 SER A 105 54.048 13.332 -9.463 1.00 0.00 H new ATOM 0 HG SER A 105 54.789 13.519 -11.653 1.00 0.00 H new ATOM 924 N LEU A 106 54.761 11.373 -7.366 1.00 0.00 N ATOM 925 CA LEU A 106 55.812 11.248 -6.370 1.00 0.00 C ATOM 926 C LEU A 106 56.165 9.774 -6.168 1.00 0.00 C ATOM 927 O LEU A 106 57.269 9.332 -6.514 1.00 0.00 O ATOM 928 CB LEU A 106 55.329 11.900 -5.060 1.00 0.00 C ATOM 929 CG LEU A 106 56.123 11.592 -3.785 1.00 0.00 C ATOM 930 CD1 LEU A 106 55.726 10.237 -3.224 1.00 0.00 C ATOM 931 CD2 LEU A 106 57.620 11.659 -4.036 1.00 0.00 C ATOM 0 H LEU A 106 53.882 11.746 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 106 56.716 11.758 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 106 55.326 12.981 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 106 54.295 11.598 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 106 55.880 12.355 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 106 56.300 10.035 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 106 54.662 10.239 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 106 55.931 9.463 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 106 58.154 11.436 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 106 57.894 10.930 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 106 57.887 12.659 -4.377 1.00 0.00 H new ATOM 943 N ALA A 107 55.207 9.004 -5.652 1.00 0.00 N ATOM 944 CA ALA A 107 55.409 7.575 -5.433 1.00 0.00 C ATOM 945 C ALA A 107 56.058 6.926 -6.638 1.00 0.00 C ATOM 946 O ALA A 107 57.014 6.181 -6.504 1.00 0.00 O ATOM 947 CB ALA A 107 54.088 6.885 -5.122 1.00 0.00 C ATOM 0 H ALA A 107 54.286 9.347 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 107 56.075 7.463 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.262 5.821 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 107 53.653 7.320 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.402 7.019 -5.958 1.00 0.00 H new ATOM 953 N SER A 108 55.531 7.214 -7.811 1.00 0.00 N ATOM 954 CA SER A 108 56.063 6.649 -9.039 1.00 0.00 C ATOM 955 C SER A 108 57.578 6.838 -9.152 1.00 0.00 C ATOM 956 O SER A 108 58.316 5.873 -9.352 1.00 0.00 O ATOM 957 CB SER A 108 55.378 7.290 -10.249 1.00 0.00 C ATOM 958 OG SER A 108 56.140 7.103 -11.428 1.00 0.00 O ATOM 0 H SER A 108 54.734 7.837 -7.942 1.00 0.00 H new ATOM 0 HA SER A 108 55.861 5.578 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.387 6.856 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 108 55.238 8.356 -10.069 1.00 0.00 H new ATOM 0 HG SER A 108 55.679 7.521 -12.185 1.00 0.00 H new ATOM 964 N GLN A 109 58.035 8.085 -9.035 1.00 0.00 N ATOM 965 CA GLN A 109 59.459 8.395 -9.179 1.00 0.00 C ATOM 966 C GLN A 109 60.299 7.822 -8.051 1.00 0.00 C ATOM 967 O GLN A 109 61.525 7.774 -8.151 1.00 0.00 O ATOM 968 CB GLN A 109 59.662 9.910 -9.243 1.00 0.00 C ATOM 969 CG GLN A 109 59.905 10.432 -10.648 1.00 0.00 C ATOM 970 CD GLN A 109 61.373 10.678 -10.935 1.00 0.00 C ATOM 971 OE1 GLN A 109 62.213 10.608 -10.038 1.00 0.00 O ATOM 972 NE2 GLN A 109 61.690 10.969 -12.191 1.00 0.00 N ATOM 0 H GLN A 109 57.444 8.894 -8.842 1.00 0.00 H new ATOM 0 HA GLN A 109 59.792 7.929 -10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 109 58.783 10.404 -8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 109 60.508 10.182 -8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 109 59.513 9.716 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 109 59.351 11.361 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 109 60.961 11.017 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 109 62.662 11.145 -12.444 1.00 0.00 H new ATOM 981 N PHE A 110 59.654 7.396 -6.985 1.00 0.00 N ATOM 982 CA PHE A 110 60.381 6.838 -5.855 1.00 0.00 C ATOM 983 C PHE A 110 59.773 5.515 -5.395 1.00 0.00 C ATOM 984 O PHE A 110 60.193 4.952 -4.384 1.00 0.00 O ATOM 985 CB PHE A 110 60.422 7.856 -4.719 1.00 0.00 C ATOM 986 CG PHE A 110 60.801 9.234 -5.190 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.126 9.564 -5.420 1.00 0.00 C ATOM 988 CD2 PHE A 110 59.830 10.195 -5.408 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.476 10.829 -5.857 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.173 11.463 -5.844 1.00 0.00 C ATOM 991 CZ PHE A 110 61.499 11.779 -6.067 1.00 0.00 C ATOM 0 H PHE A 110 58.640 7.423 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 110 61.402 6.622 -6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.445 7.897 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.136 7.525 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 110 62.896 8.824 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 110 58.792 9.953 -5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 110 63.513 11.072 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 110 59.405 12.204 -6.010 1.00 0.00 H new ATOM 0 HZ PHE A 110 61.770 12.768 -6.405 1.00 0.00 H new ATOM 1001 N SER A 111 58.774 5.024 -6.131 1.00 0.00 N ATOM 1002 CA SER A 111 58.115 3.772 -5.769 1.00 0.00 C ATOM 1003 C SER A 111 59.056 2.580 -5.906 1.00 0.00 C ATOM 1004 O SER A 111 59.261 2.066 -7.005 1.00 0.00 O ATOM 1005 CB SER A 111 56.876 3.548 -6.643 1.00 0.00 C ATOM 1006 OG SER A 111 56.451 2.197 -6.592 1.00 0.00 O ATOM 0 H SER A 111 58.408 5.470 -6.972 1.00 0.00 H new ATOM 0 HA SER A 111 57.816 3.853 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 111 56.069 4.199 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 111 57.100 3.823 -7.674 1.00 0.00 H new ATOM 0 HG SER A 111 56.980 1.664 -7.221 1.00 0.00 H new ATOM 1012 N ASP A 112 59.614 2.128 -4.786 1.00 0.00 N ATOM 1013 CA ASP A 112 60.510 0.980 -4.804 1.00 0.00 C ATOM 1014 C ASP A 112 59.728 -0.313 -5.053 1.00 0.00 C ATOM 1015 O ASP A 112 60.319 -1.372 -5.261 1.00 0.00 O ATOM 1016 CB ASP A 112 61.278 0.883 -3.484 1.00 0.00 C ATOM 1017 CG ASP A 112 62.146 2.099 -3.229 1.00 0.00 C ATOM 1018 OD1 ASP A 112 61.603 3.223 -3.219 1.00 0.00 O ATOM 1019 OD2 ASP A 112 63.368 1.927 -3.040 1.00 0.00 O ATOM 0 H ASP A 112 59.462 2.536 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 112 61.223 1.116 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.570 0.767 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 112 61.903 -0.010 -3.495 1.00 0.00 H new ATOM 1024 N CYS A 113 58.397 -0.217 -5.031 1.00 0.00 N ATOM 1025 CA CYS A 113 57.543 -1.379 -5.255 1.00 0.00 C ATOM 1026 C CYS A 113 56.903 -1.337 -6.641 1.00 0.00 C ATOM 1027 O CYS A 113 56.943 -0.316 -7.333 1.00 0.00 O ATOM 1028 CB CYS A 113 56.444 -1.447 -4.191 1.00 0.00 C ATOM 1029 SG CYS A 113 55.929 -3.128 -3.770 1.00 0.00 S ATOM 0 H CYS A 113 57.891 0.652 -4.861 1.00 0.00 H new ATOM 0 HA CYS A 113 58.172 -2.267 -5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 113 56.796 -0.949 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 113 55.576 -0.890 -4.544 1.00 0.00 H new ATOM 0 HG CYS A 113 55.000 -3.083 -2.862 1.00 0.00 H new ATOM 1035 N SER A 114 56.298 -2.454 -7.028 1.00 0.00 N ATOM 1036 CA SER A 114 55.634 -2.557 -8.322 1.00 0.00 C ATOM 1037 C SER A 114 54.454 -1.590 -8.429 1.00 0.00 C ATOM 1038 O SER A 114 53.778 -1.541 -9.457 1.00 0.00 O ATOM 1039 CB SER A 114 55.152 -3.990 -8.556 1.00 0.00 C ATOM 1040 OG SER A 114 53.972 -4.259 -7.818 1.00 0.00 O ATOM 0 H SER A 114 56.254 -3.302 -6.463 1.00 0.00 H new ATOM 0 HA SER A 114 56.361 -2.288 -9.088 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.963 -4.144 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 114 55.934 -4.692 -8.266 1.00 0.00 H new ATOM 0 HG SER A 114 53.684 -5.180 -7.986 1.00 0.00 H new ATOM 1046 N SER A 115 54.209 -0.812 -7.372 1.00 0.00 N ATOM 1047 CA SER A 115 53.115 0.149 -7.375 1.00 0.00 C ATOM 1048 C SER A 115 53.287 1.142 -8.516 1.00 0.00 C ATOM 1049 O SER A 115 52.312 1.707 -9.014 1.00 0.00 O ATOM 1050 CB SER A 115 53.055 0.889 -6.037 1.00 0.00 C ATOM 1051 OG SER A 115 51.726 0.948 -5.546 1.00 0.00 O ATOM 0 H SER A 115 54.753 -0.832 -6.509 1.00 0.00 H new ATOM 0 HA SER A 115 52.179 -0.391 -7.519 1.00 0.00 H new ATOM 0 HB2 SER A 115 53.693 0.385 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 115 53.446 1.899 -6.159 1.00 0.00 H new ATOM 0 HG SER A 115 51.197 1.554 -6.106 1.00 0.00 H new ATOM 1057 N ALA A 116 54.538 1.344 -8.933 1.00 0.00 N ATOM 1058 CA ALA A 116 54.850 2.263 -10.028 1.00 0.00 C ATOM 1059 C ALA A 116 53.863 2.115 -11.185 1.00 0.00 C ATOM 1060 O ALA A 116 53.594 3.074 -11.908 1.00 0.00 O ATOM 1061 CB ALA A 116 56.270 2.030 -10.518 1.00 0.00 C ATOM 0 H ALA A 116 55.353 0.883 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 116 54.763 3.280 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.491 2.719 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 116 56.970 2.199 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.369 1.004 -10.874 1.00 0.00 H new ATOM 1067 N LYS A 117 53.320 0.910 -11.354 1.00 0.00 N ATOM 1068 CA LYS A 117 52.358 0.647 -12.421 1.00 0.00 C ATOM 1069 C LYS A 117 51.215 1.657 -12.377 1.00 0.00 C ATOM 1070 O LYS A 117 50.659 2.030 -13.410 1.00 0.00 O ATOM 1071 CB LYS A 117 51.801 -0.774 -12.299 1.00 0.00 C ATOM 1072 CG LYS A 117 51.018 -1.013 -11.018 1.00 0.00 C ATOM 1073 CD LYS A 117 50.142 -2.250 -11.122 1.00 0.00 C ATOM 1074 CE LYS A 117 49.806 -2.812 -9.750 1.00 0.00 C ATOM 1075 NZ LYS A 117 48.929 -4.011 -9.839 1.00 0.00 N ATOM 0 H LYS A 117 53.530 0.103 -10.767 1.00 0.00 H new ATOM 0 HA LYS A 117 52.875 0.745 -13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 117 51.155 -0.976 -13.153 1.00 0.00 H new ATOM 0 HB3 LYS A 117 52.626 -1.484 -12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 117 51.710 -1.125 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 117 50.397 -0.143 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 117 49.221 -2.002 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 117 50.653 -3.010 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 117 50.727 -3.074 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 117 49.312 -2.044 -9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 48.724 -4.363 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 48.039 -3.756 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 49.411 -4.754 -10.385 1.00 0.00 H new ATOM 1089 N ALA A 118 50.875 2.099 -11.170 1.00 0.00 N ATOM 1090 CA ALA A 118 49.807 3.074 -10.981 1.00 0.00 C ATOM 1091 C ALA A 118 50.323 4.327 -10.275 1.00 0.00 C ATOM 1092 O ALA A 118 49.541 5.180 -9.858 1.00 0.00 O ATOM 1093 CB ALA A 118 48.663 2.455 -10.190 1.00 0.00 C ATOM 0 H ALA A 118 51.325 1.796 -10.306 1.00 0.00 H new ATOM 0 HA ALA A 118 49.439 3.368 -11.964 1.00 0.00 H new ATOM 0 HB1 ALA A 118 47.872 3.193 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 118 48.269 1.596 -10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 118 49.028 2.133 -9.215 1.00 0.00 H new ATOM 1099 N ARG A 119 51.645 4.433 -10.149 1.00 0.00 N ATOM 1100 CA ARG A 119 52.265 5.581 -9.499 1.00 0.00 C ATOM 1101 C ARG A 119 51.900 5.625 -8.019 1.00 0.00 C ATOM 1102 O ARG A 119 51.691 6.698 -7.453 1.00 0.00 O ATOM 1103 CB ARG A 119 51.847 6.886 -10.187 1.00 0.00 C ATOM 1104 CG ARG A 119 51.559 6.747 -11.676 1.00 0.00 C ATOM 1105 CD ARG A 119 52.531 7.566 -12.512 1.00 0.00 C ATOM 1106 NE ARG A 119 52.055 8.930 -12.725 1.00 0.00 N ATOM 1107 CZ ARG A 119 51.008 9.241 -13.488 1.00 0.00 C ATOM 1108 NH1 ARG A 119 50.325 8.287 -14.108 1.00 0.00 N ATOM 1109 NH2 ARG A 119 50.644 10.508 -13.629 1.00 0.00 N ATOM 0 H ARG A 119 52.306 3.735 -10.490 1.00 0.00 H new ATOM 0 HA ARG A 119 53.346 5.474 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 119 50.957 7.275 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 119 52.637 7.624 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 119 51.625 5.698 -11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 119 50.539 7.070 -11.882 1.00 0.00 H new ATOM 0 HD2 ARG A 119 53.501 7.594 -12.016 1.00 0.00 H new ATOM 0 HD3 ARG A 119 52.680 7.079 -13.476 1.00 0.00 H new ATOM 0 HE ARG A 119 52.554 9.690 -12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 119 50.601 7.311 -14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 119 49.524 8.530 -14.691 1.00 0.00 H new ATOM 0 HH21 ARG A 119 51.165 11.244 -13.153 1.00 0.00 H new ATOM 0 HH22 ARG A 119 49.842 10.746 -14.213 1.00 0.00 H new ATOM 1123 N GLY A 120 51.830 4.451 -7.399 1.00 0.00 N ATOM 1124 CA GLY A 120 51.496 4.373 -5.988 1.00 0.00 C ATOM 1125 C GLY A 120 50.008 4.221 -5.747 1.00 0.00 C ATOM 1126 O GLY A 120 49.587 3.411 -4.919 1.00 0.00 O ATOM 0 H GLY A 120 51.999 3.551 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.020 3.529 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 120 51.852 5.272 -5.484 1.00 0.00 H new ATOM 1130 N ASP A 121 49.207 4.999 -6.468 1.00 0.00 N ATOM 1131 CA ASP A 121 47.757 4.942 -6.323 1.00 0.00 C ATOM 1132 C ASP A 121 47.243 3.523 -6.553 1.00 0.00 C ATOM 1133 O ASP A 121 47.094 3.083 -7.693 1.00 0.00 O ATOM 1134 CB ASP A 121 47.088 5.908 -7.305 1.00 0.00 C ATOM 1135 CG ASP A 121 46.345 7.027 -6.600 1.00 0.00 C ATOM 1136 OD1 ASP A 121 45.152 6.839 -6.282 1.00 0.00 O ATOM 1137 OD2 ASP A 121 46.956 8.091 -6.368 1.00 0.00 O ATOM 0 H ASP A 121 49.537 5.675 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 121 47.505 5.239 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.845 6.336 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 121 46.393 5.356 -7.937 1.00 0.00 H new ATOM 1142 N LEU A 122 46.976 2.813 -5.462 1.00 0.00 N ATOM 1143 CA LEU A 122 46.479 1.445 -5.544 1.00 0.00 C ATOM 1144 C LEU A 122 45.005 1.412 -5.947 1.00 0.00 C ATOM 1145 O LEU A 122 44.448 0.344 -6.197 1.00 0.00 O ATOM 1146 CB LEU A 122 46.667 0.733 -4.202 1.00 0.00 C ATOM 1147 CG LEU A 122 48.032 0.942 -3.542 1.00 0.00 C ATOM 1148 CD1 LEU A 122 48.072 0.275 -2.176 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.140 0.403 -4.433 1.00 0.00 C ATOM 0 H LEU A 122 47.095 3.162 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 122 47.053 0.927 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 122 45.893 1.075 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 122 46.512 -0.336 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 122 48.190 2.012 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 122 49.050 0.434 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.301 0.707 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 122 47.894 -0.794 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.104 0.559 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 122 48.986 -0.663 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.125 0.926 -5.389 1.00 0.00 H new ATOM 1161 N GLY A 123 44.378 2.585 -6.004 1.00 0.00 N ATOM 1162 CA GLY A 123 42.977 2.656 -6.376 1.00 0.00 C ATOM 1163 C GLY A 123 42.068 2.097 -5.301 1.00 0.00 C ATOM 1164 O GLY A 123 42.532 1.703 -4.230 1.00 0.00 O ATOM 0 H GLY A 123 44.815 3.484 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.708 3.694 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 123 42.821 2.105 -7.303 1.00 0.00 H new ATOM 1168 N ALA A 124 40.772 2.061 -5.584 1.00 0.00 N ATOM 1169 CA ALA A 124 39.799 1.546 -4.630 1.00 0.00 C ATOM 1170 C ALA A 124 39.986 0.050 -4.409 1.00 0.00 C ATOM 1171 O ALA A 124 39.680 -0.759 -5.287 1.00 0.00 O ATOM 1172 CB ALA A 124 38.384 1.838 -5.112 1.00 0.00 C ATOM 0 H ALA A 124 40.371 2.382 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 124 39.959 2.050 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 124 37.666 1.448 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.249 2.915 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.223 1.360 -6.078 1.00 0.00 H new ATOM 1178 N PHE A 125 40.491 -0.316 -3.233 1.00 0.00 N ATOM 1179 CA PHE A 125 40.715 -1.721 -2.908 1.00 0.00 C ATOM 1180 C PHE A 125 39.916 -2.139 -1.686 1.00 0.00 C ATOM 1181 O PHE A 125 39.205 -1.338 -1.084 1.00 0.00 O ATOM 1182 CB PHE A 125 42.195 -1.993 -2.650 1.00 0.00 C ATOM 1183 CG PHE A 125 42.823 -1.038 -1.674 1.00 0.00 C ATOM 1184 CD1 PHE A 125 42.628 -1.196 -0.311 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.609 0.015 -2.117 1.00 0.00 C ATOM 1186 CE1 PHE A 125 43.204 -0.323 0.592 1.00 0.00 C ATOM 1187 CE2 PHE A 125 44.188 0.891 -1.218 1.00 0.00 C ATOM 1188 CZ PHE A 125 43.985 0.721 0.139 1.00 0.00 C ATOM 0 H PHE A 125 40.751 0.337 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 125 40.383 -2.304 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.308 -3.010 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 125 42.735 -1.940 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 125 42.018 -2.011 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 125 43.771 0.152 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 125 43.043 -0.457 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.798 1.707 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.437 1.404 0.843 1.00 0.00 H new ATOM 1198 N SER A 126 40.056 -3.406 -1.325 1.00 0.00 N ATOM 1199 CA SER A 126 39.364 -3.961 -0.168 1.00 0.00 C ATOM 1200 C SER A 126 40.360 -4.433 0.883 1.00 0.00 C ATOM 1201 O SER A 126 41.431 -4.941 0.552 1.00 0.00 O ATOM 1202 CB SER A 126 38.462 -5.122 -0.595 1.00 0.00 C ATOM 1203 OG SER A 126 37.818 -4.843 -1.825 1.00 0.00 O ATOM 0 H SER A 126 40.647 -4.074 -1.820 1.00 0.00 H new ATOM 0 HA SER A 126 38.748 -3.175 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 126 39.055 -6.031 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.714 -5.308 0.176 1.00 0.00 H new ATOM 0 HG SER A 126 37.250 -5.601 -2.076 1.00 0.00 H new ATOM 1209 N ARG A 127 40.004 -4.265 2.153 1.00 0.00 N ATOM 1210 CA ARG A 127 40.875 -4.679 3.248 1.00 0.00 C ATOM 1211 C ARG A 127 41.200 -6.168 3.158 1.00 0.00 C ATOM 1212 O ARG A 127 40.428 -6.948 2.600 1.00 0.00 O ATOM 1213 CB ARG A 127 40.230 -4.362 4.600 1.00 0.00 C ATOM 1214 CG ARG A 127 39.009 -5.215 4.918 1.00 0.00 C ATOM 1215 CD ARG A 127 39.004 -5.652 6.375 1.00 0.00 C ATOM 1216 NE ARG A 127 38.489 -4.605 7.256 1.00 0.00 N ATOM 1217 CZ ARG A 127 38.950 -4.370 8.484 1.00 0.00 C ATOM 1218 NH1 ARG A 127 39.930 -5.107 8.993 1.00 0.00 N ATOM 1219 NH2 ARG A 127 38.424 -3.392 9.210 1.00 0.00 N ATOM 0 H ARG A 127 39.122 -3.847 2.449 1.00 0.00 H new ATOM 0 HA ARG A 127 41.806 -4.119 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 127 40.972 -4.500 5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 127 39.941 -3.311 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 127 38.102 -4.650 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 127 38.998 -6.093 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 127 38.395 -6.549 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 127 40.017 -5.916 6.678 1.00 0.00 H new ATOM 0 HE ARG A 127 37.730 -4.018 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 127 40.338 -5.863 8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 127 40.275 -4.918 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 127 37.669 -2.823 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 127 38.775 -3.210 10.150 1.00 0.00 H new ATOM 1233 N GLY A 128 42.345 -6.555 3.712 1.00 0.00 N ATOM 1234 CA GLY A 128 42.750 -7.948 3.684 1.00 0.00 C ATOM 1235 C GLY A 128 43.665 -8.271 2.517 1.00 0.00 C ATOM 1236 O GLY A 128 44.017 -9.432 2.302 1.00 0.00 O ATOM 0 H GLY A 128 43.000 -5.928 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.258 -8.193 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 128 41.863 -8.579 3.629 1.00 0.00 H new ATOM 1240 N GLN A 129 44.049 -7.248 1.759 1.00 0.00 N ATOM 1241 CA GLN A 129 44.925 -7.437 0.609 1.00 0.00 C ATOM 1242 C GLN A 129 46.354 -7.012 0.932 1.00 0.00 C ATOM 1243 O GLN A 129 47.300 -7.767 0.709 1.00 0.00 O ATOM 1244 CB GLN A 129 44.400 -6.644 -0.592 1.00 0.00 C ATOM 1245 CG GLN A 129 44.301 -7.466 -1.867 1.00 0.00 C ATOM 1246 CD GLN A 129 45.605 -8.151 -2.222 1.00 0.00 C ATOM 1247 OE1 GLN A 129 46.708 -7.418 -2.113 1.00 0.00 O flip ATOM 1248 NE2 GLN A 129 45.622 -9.326 -2.590 1.00 0.00 N flip ATOM 0 H GLN A 129 43.767 -6.281 1.921 1.00 0.00 H new ATOM 0 HA GLN A 129 44.933 -8.498 0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 129 43.415 -6.244 -0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 129 45.056 -5.792 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 129 43.520 -8.218 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 129 44.000 -6.818 -2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 129 44.750 -9.851 -2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 129 46.508 -9.774 -2.825 1.00 0.00 H new ATOM 1257 N MET A 130 46.504 -5.800 1.455 1.00 0.00 N ATOM 1258 CA MET A 130 47.819 -5.275 1.805 1.00 0.00 C ATOM 1259 C MET A 130 48.208 -5.668 3.227 1.00 0.00 C ATOM 1260 O MET A 130 47.449 -6.345 3.923 1.00 0.00 O ATOM 1261 CB MET A 130 47.837 -3.751 1.663 1.00 0.00 C ATOM 1262 CG MET A 130 47.630 -3.271 0.236 1.00 0.00 C ATOM 1263 SD MET A 130 45.915 -2.840 -0.109 1.00 0.00 S ATOM 1264 CE MET A 130 45.696 -3.582 -1.724 1.00 0.00 C ATOM 0 H MET A 130 45.731 -5.162 1.646 1.00 0.00 H new ATOM 0 HA MET A 130 48.546 -5.708 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 130 47.059 -3.326 2.297 1.00 0.00 H new ATOM 0 HB3 MET A 130 48.790 -3.371 2.031 1.00 0.00 H new ATOM 0 HG2 MET A 130 48.263 -2.402 0.054 1.00 0.00 H new ATOM 0 HG3 MET A 130 47.951 -4.050 -0.455 1.00 0.00 H new ATOM 0 HE1 MET A 130 44.659 -3.898 -1.842 1.00 0.00 H new ATOM 0 HE2 MET A 130 45.943 -2.853 -2.496 1.00 0.00 H new ATOM 0 HE3 MET A 130 46.352 -4.447 -1.819 1.00 0.00 H new ATOM 1274 N GLN A 131 49.394 -5.241 3.651 1.00 0.00 N ATOM 1275 CA GLN A 131 49.886 -5.548 4.992 1.00 0.00 C ATOM 1276 C GLN A 131 48.881 -5.105 6.053 1.00 0.00 C ATOM 1277 O GLN A 131 48.114 -4.166 5.840 1.00 0.00 O ATOM 1278 CB GLN A 131 51.238 -4.868 5.232 1.00 0.00 C ATOM 1279 CG GLN A 131 52.238 -5.080 4.106 1.00 0.00 C ATOM 1280 CD GLN A 131 52.397 -6.541 3.731 1.00 0.00 C ATOM 1281 OE1 GLN A 131 52.477 -6.886 2.551 1.00 0.00 O ATOM 1282 NE2 GLN A 131 52.442 -7.409 4.734 1.00 0.00 N ATOM 0 H GLN A 131 50.033 -4.681 3.086 1.00 0.00 H new ATOM 0 HA GLN A 131 50.015 -6.628 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.078 -3.798 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.665 -5.246 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 131 51.917 -4.517 3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 131 53.206 -4.679 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 131 52.372 -7.080 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 131 52.547 -8.405 4.542 1.00 0.00 H new ATOM 1291 N LYS A 132 48.890 -5.790 7.192 1.00 0.00 N ATOM 1292 CA LYS A 132 47.974 -5.469 8.283 1.00 0.00 C ATOM 1293 C LYS A 132 48.079 -3.997 8.685 1.00 0.00 C ATOM 1294 O LYS A 132 47.077 -3.282 8.684 1.00 0.00 O ATOM 1295 CB LYS A 132 48.239 -6.372 9.491 1.00 0.00 C ATOM 1296 CG LYS A 132 48.439 -7.834 9.126 1.00 0.00 C ATOM 1297 CD LYS A 132 47.744 -8.757 10.115 1.00 0.00 C ATOM 1298 CE LYS A 132 48.725 -9.337 11.121 1.00 0.00 C ATOM 1299 NZ LYS A 132 49.224 -10.677 10.704 1.00 0.00 N ATOM 0 H LYS A 132 49.519 -6.569 7.384 1.00 0.00 H new ATOM 0 HA LYS A 132 46.959 -5.648 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 132 49.125 -6.013 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 132 47.403 -6.291 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 132 48.052 -8.016 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 132 49.505 -8.061 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 132 46.964 -8.207 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 132 47.253 -9.567 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 132 49.568 -8.657 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 132 48.241 -9.417 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 49.890 -11.037 11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 48.423 -11.334 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 49.708 -10.597 9.787 1.00 0.00 H new ATOM 1313 N PRO A 133 49.288 -3.514 9.029 1.00 0.00 N ATOM 1314 CA PRO A 133 49.480 -2.114 9.419 1.00 0.00 C ATOM 1315 C PRO A 133 49.053 -1.158 8.312 1.00 0.00 C ATOM 1316 O PRO A 133 48.665 -0.019 8.576 1.00 0.00 O ATOM 1317 CB PRO A 133 50.987 -2.002 9.680 1.00 0.00 C ATOM 1318 CG PRO A 133 51.591 -3.188 9.004 1.00 0.00 C ATOM 1319 CD PRO A 133 50.551 -4.270 9.057 1.00 0.00 C ATOM 0 HA PRO A 133 48.877 -1.845 10.286 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.388 -1.072 9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.203 -2.006 10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 133 51.859 -2.955 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.505 -3.501 9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.633 -4.951 8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.641 -4.873 9.961 1.00 0.00 H new ATOM 1327 N PHE A 134 49.119 -1.636 7.075 1.00 0.00 N ATOM 1328 CA PHE A 134 48.729 -0.837 5.922 1.00 0.00 C ATOM 1329 C PHE A 134 47.244 -0.524 5.968 1.00 0.00 C ATOM 1330 O PHE A 134 46.835 0.632 6.070 1.00 0.00 O ATOM 1331 CB PHE A 134 49.041 -1.587 4.629 1.00 0.00 C ATOM 1332 CG PHE A 134 49.003 -0.715 3.406 1.00 0.00 C ATOM 1333 CD1 PHE A 134 47.814 -0.513 2.728 1.00 0.00 C ATOM 1334 CD2 PHE A 134 50.152 -0.097 2.939 1.00 0.00 C ATOM 1335 CE1 PHE A 134 47.766 0.293 1.607 1.00 0.00 C ATOM 1336 CE2 PHE A 134 50.114 0.711 1.816 1.00 0.00 C ATOM 1337 CZ PHE A 134 48.916 0.906 1.150 1.00 0.00 C ATOM 0 H PHE A 134 49.440 -2.576 6.845 1.00 0.00 H new ATOM 0 HA PHE A 134 49.294 0.095 5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 134 50.028 -2.041 4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.325 -2.400 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 134 46.912 -0.992 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 134 51.088 -0.248 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 134 46.830 0.443 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 134 51.016 1.188 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 134 48.881 1.537 0.274 1.00 0.00 H new ATOM 1347 N GLU A 135 46.442 -1.578 5.881 1.00 0.00 N ATOM 1348 CA GLU A 135 44.989 -1.444 5.901 1.00 0.00 C ATOM 1349 C GLU A 135 44.516 -0.648 7.115 1.00 0.00 C ATOM 1350 O GLU A 135 43.703 0.265 6.985 1.00 0.00 O ATOM 1351 CB GLU A 135 44.329 -2.824 5.889 1.00 0.00 C ATOM 1352 CG GLU A 135 43.340 -3.009 4.751 1.00 0.00 C ATOM 1353 CD GLU A 135 43.948 -2.713 3.393 1.00 0.00 C ATOM 1354 OE1 GLU A 135 45.192 -2.639 3.303 1.00 0.00 O ATOM 1355 OE2 GLU A 135 43.180 -2.553 2.421 1.00 0.00 O ATOM 0 H GLU A 135 46.774 -2.539 5.796 1.00 0.00 H new ATOM 0 HA GLU A 135 44.694 -0.897 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 135 45.103 -3.588 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 135 43.814 -2.981 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.967 -4.033 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.482 -2.356 4.911 1.00 0.00 H new ATOM 1362 N ASP A 136 45.025 -0.997 8.293 1.00 0.00 N ATOM 1363 CA ASP A 136 44.641 -0.307 9.522 1.00 0.00 C ATOM 1364 C ASP A 136 44.839 1.199 9.382 1.00 0.00 C ATOM 1365 O ASP A 136 43.916 1.981 9.614 1.00 0.00 O ATOM 1366 CB ASP A 136 45.452 -0.836 10.706 1.00 0.00 C ATOM 1367 CG ASP A 136 44.615 -0.986 11.960 1.00 0.00 C ATOM 1368 OD1 ASP A 136 43.561 -1.653 11.895 1.00 0.00 O ATOM 1369 OD2 ASP A 136 45.012 -0.438 13.010 1.00 0.00 O ATOM 0 H ASP A 136 45.701 -1.750 8.423 1.00 0.00 H new ATOM 0 HA ASP A 136 43.584 -0.501 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 136 45.885 -1.802 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.282 -0.158 10.906 1.00 0.00 H new ATOM 1374 N ALA A 137 46.044 1.599 8.992 1.00 0.00 N ATOM 1375 CA ALA A 137 46.354 3.012 8.814 1.00 0.00 C ATOM 1376 C ALA A 137 45.471 3.618 7.728 1.00 0.00 C ATOM 1377 O ALA A 137 44.804 4.629 7.946 1.00 0.00 O ATOM 1378 CB ALA A 137 47.824 3.194 8.467 1.00 0.00 C ATOM 0 H ALA A 137 46.820 0.967 8.794 1.00 0.00 H new ATOM 0 HA ALA A 137 46.154 3.531 9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.039 4.255 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.440 2.795 9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.048 2.663 7.542 1.00 0.00 H new ATOM 1384 N SER A 138 45.467 2.984 6.558 1.00 0.00 N ATOM 1385 CA SER A 138 44.661 3.449 5.434 1.00 0.00 C ATOM 1386 C SER A 138 43.201 3.611 5.844 1.00 0.00 C ATOM 1387 O SER A 138 42.584 4.648 5.599 1.00 0.00 O ATOM 1388 CB SER A 138 44.763 2.459 4.269 1.00 0.00 C ATOM 1389 OG SER A 138 45.346 3.070 3.132 1.00 0.00 O ATOM 0 H SER A 138 46.014 2.145 6.364 1.00 0.00 H new ATOM 0 HA SER A 138 45.044 4.420 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.360 1.598 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 138 43.771 2.086 4.017 1.00 0.00 H new ATOM 0 HG SER A 138 44.739 3.754 2.781 1.00 0.00 H new ATOM 1395 N PHE A 139 42.658 2.573 6.467 1.00 0.00 N ATOM 1396 CA PHE A 139 41.272 2.580 6.913 1.00 0.00 C ATOM 1397 C PHE A 139 41.074 3.495 8.121 1.00 0.00 C ATOM 1398 O PHE A 139 39.942 3.794 8.501 1.00 0.00 O ATOM 1399 CB PHE A 139 40.829 1.155 7.247 1.00 0.00 C ATOM 1400 CG PHE A 139 40.392 0.377 6.040 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.271 0.155 4.989 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.103 -0.124 5.950 1.00 0.00 C ATOM 1403 CE1 PHE A 139 40.870 -0.554 3.872 1.00 0.00 C ATOM 1404 CE2 PHE A 139 38.698 -0.835 4.835 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.582 -1.049 3.794 1.00 0.00 C ATOM 0 H PHE A 139 43.161 1.710 6.676 1.00 0.00 H new ATOM 0 HA PHE A 139 40.657 2.970 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.651 0.630 7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.008 1.194 7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.278 0.540 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.407 0.043 6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.563 -0.721 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 139 37.692 -1.223 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.267 -1.602 2.921 1.00 0.00 H new ATOM 1415 N ALA A 140 42.176 3.940 8.718 1.00 0.00 N ATOM 1416 CA ALA A 140 42.110 4.824 9.877 1.00 0.00 C ATOM 1417 C ALA A 140 42.496 6.257 9.515 1.00 0.00 C ATOM 1418 O ALA A 140 42.477 7.146 10.365 1.00 0.00 O ATOM 1419 CB ALA A 140 43.008 4.300 10.988 1.00 0.00 C ATOM 0 H ALA A 140 43.122 3.704 8.419 1.00 0.00 H new ATOM 0 HA ALA A 140 41.078 4.838 10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 140 42.951 4.968 11.848 1.00 0.00 H new ATOM 0 HB2 ALA A 140 42.680 3.303 11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.037 4.254 10.633 1.00 0.00 H new ATOM 1425 N LEU A 141 42.849 6.481 8.251 1.00 0.00 N ATOM 1426 CA LEU A 141 43.240 7.810 7.792 1.00 0.00 C ATOM 1427 C LEU A 141 42.030 8.603 7.309 1.00 0.00 C ATOM 1428 O LEU A 141 40.976 8.036 7.020 1.00 0.00 O ATOM 1429 CB LEU A 141 44.269 7.700 6.665 1.00 0.00 C ATOM 1430 CG LEU A 141 45.717 7.513 7.122 1.00 0.00 C ATOM 1431 CD1 LEU A 141 46.657 7.511 5.926 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.110 8.598 8.113 1.00 0.00 C ATOM 0 H LEU A 141 42.872 5.761 7.529 1.00 0.00 H new ATOM 0 HA LEU A 141 43.684 8.338 8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 141 43.995 6.861 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 141 44.211 8.600 6.053 1.00 0.00 H new ATOM 0 HG LEU A 141 45.798 6.548 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 141 47.683 7.377 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 141 46.390 6.695 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 141 46.573 8.460 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 141 47.143 8.448 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 141 46.013 9.575 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 141 45.456 8.550 8.984 1.00 0.00 H new ATOM 1444 N ARG A 142 42.193 9.920 7.221 1.00 0.00 N ATOM 1445 CA ARG A 142 41.119 10.798 6.769 1.00 0.00 C ATOM 1446 C ARG A 142 41.298 11.155 5.297 1.00 0.00 C ATOM 1447 O ARG A 142 42.358 10.918 4.717 1.00 0.00 O ATOM 1448 CB ARG A 142 41.083 12.076 7.610 1.00 0.00 C ATOM 1449 CG ARG A 142 41.311 11.839 9.095 1.00 0.00 C ATOM 1450 CD ARG A 142 41.445 13.151 9.853 1.00 0.00 C ATOM 1451 NE ARG A 142 41.806 12.940 11.253 1.00 0.00 N ATOM 1452 CZ ARG A 142 40.948 12.536 12.187 1.00 0.00 C ATOM 1453 NH1 ARG A 142 39.681 12.296 11.874 1.00 0.00 N ATOM 1454 NH2 ARG A 142 41.359 12.371 13.436 1.00 0.00 N ATOM 0 H ARG A 142 43.060 10.403 7.457 1.00 0.00 H new ATOM 0 HA ARG A 142 40.175 10.266 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.843 12.765 7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 142 40.118 12.563 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 142 40.481 11.264 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 142 42.212 11.242 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 142 42.202 13.771 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 142 40.504 13.698 9.800 1.00 0.00 H new ATOM 0 HE ARG A 142 42.772 13.112 11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 142 39.360 12.421 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 142 39.028 11.987 12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 142 42.332 12.554 13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 142 40.702 12.061 14.152 1.00 0.00 H new ATOM 1468 N THR A 143 40.259 11.726 4.696 1.00 0.00 N ATOM 1469 CA THR A 143 40.311 12.113 3.291 1.00 0.00 C ATOM 1470 C THR A 143 41.410 13.141 3.047 1.00 0.00 C ATOM 1471 O THR A 143 41.358 14.255 3.569 1.00 0.00 O ATOM 1472 CB THR A 143 38.962 12.678 2.840 1.00 0.00 C ATOM 1473 OG1 THR A 143 37.925 12.257 3.709 1.00 0.00 O ATOM 1474 CG2 THR A 143 38.584 12.261 1.435 1.00 0.00 C ATOM 0 H THR A 143 39.373 11.930 5.159 1.00 0.00 H new ATOM 0 HA THR A 143 40.536 11.220 2.707 1.00 0.00 H new ATOM 0 HB THR A 143 39.077 13.762 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.071 12.630 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 143 37.618 12.694 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 143 39.341 12.614 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 143 38.521 11.174 1.383 1.00 0.00 H new ATOM 1482 N GLY A 144 42.405 12.760 2.254 1.00 0.00 N ATOM 1483 CA GLY A 144 43.502 13.661 1.957 1.00 0.00 C ATOM 1484 C GLY A 144 44.549 13.680 3.053 1.00 0.00 C ATOM 1485 O GLY A 144 45.232 14.686 3.250 1.00 0.00 O ATOM 0 H GLY A 144 42.471 11.843 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 144 43.969 13.363 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.112 14.669 1.814 1.00 0.00 H new ATOM 1489 N GLU A 145 44.676 12.568 3.767 1.00 0.00 N ATOM 1490 CA GLU A 145 45.646 12.460 4.851 1.00 0.00 C ATOM 1491 C GLU A 145 46.752 11.471 4.493 1.00 0.00 C ATOM 1492 O GLU A 145 46.531 10.528 3.734 1.00 0.00 O ATOM 1493 CB GLU A 145 44.953 12.023 6.142 1.00 0.00 C ATOM 1494 CG GLU A 145 45.386 12.818 7.364 1.00 0.00 C ATOM 1495 CD GLU A 145 44.807 14.218 7.385 1.00 0.00 C ATOM 1496 OE1 GLU A 145 44.922 14.924 6.360 1.00 0.00 O ATOM 1497 OE2 GLU A 145 44.238 14.612 8.425 1.00 0.00 O ATOM 0 H GLU A 145 44.119 11.727 3.615 1.00 0.00 H new ATOM 0 HA GLU A 145 46.095 13.441 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 145 43.875 12.123 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 145 45.158 10.966 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 145 45.078 12.288 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 145 46.474 12.879 7.386 1.00 0.00 H new ATOM 1504 N MET A 146 47.938 11.691 5.047 1.00 0.00 N ATOM 1505 CA MET A 146 49.077 10.818 4.788 1.00 0.00 C ATOM 1506 C MET A 146 49.502 10.089 6.057 1.00 0.00 C ATOM 1507 O MET A 146 49.637 10.696 7.119 1.00 0.00 O ATOM 1508 CB MET A 146 50.250 11.621 4.219 1.00 0.00 C ATOM 1509 CG MET A 146 50.747 11.099 2.881 1.00 0.00 C ATOM 1510 SD MET A 146 51.777 12.291 2.001 1.00 0.00 S ATOM 1511 CE MET A 146 50.711 13.729 2.000 1.00 0.00 C ATOM 0 H MET A 146 48.137 12.467 5.679 1.00 0.00 H new ATOM 0 HA MET A 146 48.773 10.074 4.051 1.00 0.00 H new ATOM 0 HB2 MET A 146 49.947 12.662 4.104 1.00 0.00 H new ATOM 0 HB3 MET A 146 51.072 11.606 4.935 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.317 10.184 3.043 1.00 0.00 H new ATOM 0 HG3 MET A 146 49.892 10.836 2.259 1.00 0.00 H new ATOM 0 HE1 MET A 146 50.780 14.232 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 146 49.681 13.418 2.175 1.00 0.00 H new ATOM 0 HE3 MET A 146 51.022 14.413 2.789 1.00 0.00 H new ATOM 1521 N SER A 147 49.705 8.783 5.938 1.00 0.00 N ATOM 1522 CA SER A 147 50.105 7.962 7.072 1.00 0.00 C ATOM 1523 C SER A 147 51.594 8.119 7.367 1.00 0.00 C ATOM 1524 O SER A 147 52.404 8.281 6.454 1.00 0.00 O ATOM 1525 CB SER A 147 49.771 6.493 6.802 1.00 0.00 C ATOM 1526 OG SER A 147 50.889 5.797 6.275 1.00 0.00 O ATOM 0 H SER A 147 49.598 8.269 5.064 1.00 0.00 H new ATOM 0 HA SER A 147 49.550 8.299 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.446 6.016 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 147 48.938 6.430 6.102 1.00 0.00 H new ATOM 0 HG SER A 147 51.129 5.061 6.876 1.00 0.00 H new ATOM 1532 N GLY A 148 51.945 8.067 8.647 1.00 0.00 N ATOM 1533 CA GLY A 148 53.334 8.201 9.041 1.00 0.00 C ATOM 1534 C GLY A 148 54.180 7.033 8.572 1.00 0.00 C ATOM 1535 O GLY A 148 53.646 5.992 8.189 1.00 0.00 O ATOM 0 H GLY A 148 51.292 7.934 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.738 9.127 8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.396 8.279 10.126 1.00 0.00 H new ATOM 1539 N PRO A 149 55.516 7.173 8.592 1.00 0.00 N ATOM 1540 CA PRO A 149 56.428 6.109 8.161 1.00 0.00 C ATOM 1541 C PRO A 149 56.112 4.772 8.822 1.00 0.00 C ATOM 1542 O PRO A 149 56.228 4.628 10.039 1.00 0.00 O ATOM 1543 CB PRO A 149 57.800 6.616 8.608 1.00 0.00 C ATOM 1544 CG PRO A 149 57.666 8.100 8.638 1.00 0.00 C ATOM 1545 CD PRO A 149 56.242 8.380 9.032 1.00 0.00 C ATOM 0 HA PRO A 149 56.357 5.920 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 149 58.067 6.223 9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.582 6.303 7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.362 8.540 9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 149 57.893 8.532 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.147 8.536 10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 149 55.860 9.277 8.545 1.00 0.00 H new ATOM 1553 N VAL A 150 55.714 3.797 8.012 1.00 0.00 N ATOM 1554 CA VAL A 150 55.384 2.470 8.517 1.00 0.00 C ATOM 1555 C VAL A 150 56.467 1.464 8.147 1.00 0.00 C ATOM 1556 O VAL A 150 56.745 1.241 6.969 1.00 0.00 O ATOM 1557 CB VAL A 150 54.031 1.977 7.967 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.619 0.681 8.648 1.00 0.00 C ATOM 1559 CG2 VAL A 150 52.962 3.045 8.145 1.00 0.00 C ATOM 0 H VAL A 150 55.612 3.901 7.002 1.00 0.00 H new ATOM 0 HA VAL A 150 55.316 2.550 9.602 1.00 0.00 H new ATOM 0 HB VAL A 150 54.142 1.781 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.662 0.348 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.375 -0.083 8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.525 0.848 9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 150 52.014 2.680 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.850 3.275 9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.255 3.946 7.607 1.00 0.00 H new ATOM 1569 N PHE A 151 57.082 0.864 9.161 1.00 0.00 N ATOM 1570 CA PHE A 151 58.142 -0.111 8.941 1.00 0.00 C ATOM 1571 C PHE A 151 57.571 -1.512 8.744 1.00 0.00 C ATOM 1572 O PHE A 151 56.941 -2.071 9.642 1.00 0.00 O ATOM 1573 CB PHE A 151 59.118 -0.106 10.116 1.00 0.00 C ATOM 1574 CG PHE A 151 59.861 1.192 10.265 1.00 0.00 C ATOM 1575 CD1 PHE A 151 59.243 2.301 10.821 1.00 0.00 C ATOM 1576 CD2 PHE A 151 61.177 1.303 9.845 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.925 3.496 10.955 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.864 2.495 9.978 1.00 0.00 C ATOM 1579 CZ PHE A 151 61.236 3.592 10.533 1.00 0.00 C ATOM 0 H PHE A 151 56.864 1.036 10.142 1.00 0.00 H new ATOM 0 HA PHE A 151 58.674 0.171 8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.570 -0.311 11.036 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.837 -0.915 9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.218 2.231 11.153 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.672 0.448 9.409 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.433 4.354 11.389 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.890 2.568 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.770 4.525 10.637 1.00 0.00 H new ATOM 1589 N THR A 152 57.803 -2.074 7.563 1.00 0.00 N ATOM 1590 CA THR A 152 57.322 -3.412 7.239 1.00 0.00 C ATOM 1591 C THR A 152 58.453 -4.258 6.659 1.00 0.00 C ATOM 1592 O THR A 152 59.527 -3.741 6.346 1.00 0.00 O ATOM 1593 CB THR A 152 56.158 -3.341 6.245 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.636 -3.153 4.925 1.00 0.00 O ATOM 1595 CG2 THR A 152 55.182 -2.222 6.540 1.00 0.00 C ATOM 0 H THR A 152 58.323 -1.622 6.811 1.00 0.00 H new ATOM 0 HA THR A 152 56.968 -3.879 8.158 1.00 0.00 H new ATOM 0 HB THR A 152 55.636 -4.293 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 152 55.878 -3.111 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 152 54.384 -2.230 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.756 -2.364 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.703 -1.265 6.502 1.00 0.00 H new ATOM 1603 N ASP A 153 58.204 -5.560 6.524 1.00 0.00 N ATOM 1604 CA ASP A 153 59.198 -6.494 5.986 1.00 0.00 C ATOM 1605 C ASP A 153 59.991 -5.874 4.839 1.00 0.00 C ATOM 1606 O ASP A 153 61.223 -5.901 4.830 1.00 0.00 O ATOM 1607 CB ASP A 153 58.507 -7.768 5.501 1.00 0.00 C ATOM 1608 CG ASP A 153 57.309 -7.481 4.616 1.00 0.00 C ATOM 1609 OD1 ASP A 153 56.403 -6.748 5.066 1.00 0.00 O ATOM 1610 OD2 ASP A 153 57.279 -7.989 3.476 1.00 0.00 O ATOM 0 H ASP A 153 57.318 -5.996 6.781 1.00 0.00 H new ATOM 0 HA ASP A 153 59.896 -6.734 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 153 59.223 -8.378 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 153 58.186 -8.353 6.363 1.00 0.00 H new ATOM 1615 N SER A 154 59.272 -5.321 3.872 1.00 0.00 N ATOM 1616 CA SER A 154 59.896 -4.695 2.714 1.00 0.00 C ATOM 1617 C SER A 154 60.697 -3.462 3.123 1.00 0.00 C ATOM 1618 O SER A 154 61.839 -3.282 2.697 1.00 0.00 O ATOM 1619 CB SER A 154 58.833 -4.310 1.685 1.00 0.00 C ATOM 1620 OG SER A 154 59.208 -4.723 0.383 1.00 0.00 O ATOM 0 H SER A 154 58.252 -5.293 3.867 1.00 0.00 H new ATOM 0 HA SER A 154 60.581 -5.416 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 154 57.880 -4.766 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 154 58.684 -3.230 1.698 1.00 0.00 H new ATOM 0 HG SER A 154 58.510 -4.466 -0.255 1.00 0.00 H new ATOM 1626 N GLY A 155 60.092 -2.611 3.947 1.00 0.00 N ATOM 1627 CA GLY A 155 60.769 -1.403 4.392 1.00 0.00 C ATOM 1628 C GLY A 155 59.805 -0.362 4.924 1.00 0.00 C ATOM 1629 O GLY A 155 58.861 -0.691 5.642 1.00 0.00 O ATOM 0 H GLY A 155 59.148 -2.735 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.489 -1.659 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.334 -0.980 3.562 1.00 0.00 H new ATOM 1633 N ILE A 156 60.039 0.897 4.570 1.00 0.00 N ATOM 1634 CA ILE A 156 59.179 1.987 5.016 1.00 0.00 C ATOM 1635 C ILE A 156 58.137 2.321 3.958 1.00 0.00 C ATOM 1636 O ILE A 156 58.459 2.452 2.776 1.00 0.00 O ATOM 1637 CB ILE A 156 59.997 3.251 5.346 1.00 0.00 C ATOM 1638 CG1 ILE A 156 61.111 2.920 6.339 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.092 4.342 5.901 1.00 0.00 C ATOM 1640 CD1 ILE A 156 62.420 3.611 6.033 1.00 0.00 C ATOM 0 H ILE A 156 60.816 1.188 3.976 1.00 0.00 H new ATOM 0 HA ILE A 156 58.677 1.650 5.923 1.00 0.00 H new ATOM 0 HB ILE A 156 60.453 3.619 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 156 60.788 3.200 7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 156 61.272 1.842 6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 156 59.686 5.227 6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.332 4.595 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 156 58.609 3.986 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 156 63.163 3.329 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.767 3.312 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 156 62.275 4.691 6.055 1.00 0.00 H new ATOM 1652 N HIS A 157 56.885 2.452 4.383 1.00 0.00 N ATOM 1653 CA HIS A 157 55.801 2.763 3.459 1.00 0.00 C ATOM 1654 C HIS A 157 55.014 3.992 3.896 1.00 0.00 C ATOM 1655 O HIS A 157 54.801 4.227 5.086 1.00 0.00 O ATOM 1656 CB HIS A 157 54.828 1.592 3.351 1.00 0.00 C ATOM 1657 CG HIS A 157 55.378 0.388 2.654 1.00 0.00 C ATOM 1658 ND1 HIS A 157 55.074 0.078 1.347 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.191 -0.603 3.097 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.669 -1.052 1.014 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.353 -1.485 2.057 1.00 0.00 N ATOM 0 H HIS A 157 56.597 2.348 5.356 1.00 0.00 H new ATOM 0 HA HIS A 157 56.267 2.960 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.515 1.303 4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 157 53.935 1.926 2.822 1.00 0.00 H new ATOM 0 HD1 HIS A 157 54.481 0.635 0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 157 56.628 -0.683 4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.607 -1.539 0.052 1.00 0.00 H new ATOM 1670 N ILE A 158 54.549 4.739 2.909 1.00 0.00 N ATOM 1671 CA ILE A 158 53.736 5.922 3.137 1.00 0.00 C ATOM 1672 C ILE A 158 52.390 5.729 2.449 1.00 0.00 C ATOM 1673 O ILE A 158 52.341 5.325 1.292 1.00 0.00 O ATOM 1674 CB ILE A 158 54.428 7.200 2.611 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.416 7.709 3.651 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.410 8.283 2.265 1.00 0.00 C ATOM 1677 CD1 ILE A 158 56.097 9.006 3.260 1.00 0.00 C ATOM 0 H ILE A 158 54.725 4.542 1.924 1.00 0.00 H new ATOM 0 HA ILE A 158 53.596 6.051 4.210 1.00 0.00 H new ATOM 0 HB ILE A 158 54.963 6.950 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 158 54.893 7.854 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.176 6.947 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 158 53.930 9.168 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.734 7.914 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 158 52.837 8.542 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.786 9.307 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.649 8.862 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 158 55.346 9.783 3.118 1.00 0.00 H new ATOM 1689 N ILE A 159 51.304 5.995 3.162 1.00 0.00 N ATOM 1690 CA ILE A 159 49.971 5.819 2.596 1.00 0.00 C ATOM 1691 C ILE A 159 49.176 7.122 2.593 1.00 0.00 C ATOM 1692 O ILE A 159 49.370 7.985 3.449 1.00 0.00 O ATOM 1693 CB ILE A 159 49.187 4.738 3.365 1.00 0.00 C ATOM 1694 CG1 ILE A 159 49.951 3.410 3.339 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.794 4.560 2.774 1.00 0.00 C ATOM 1696 CD1 ILE A 159 50.213 2.836 4.714 1.00 0.00 C ATOM 0 H ILE A 159 51.317 6.331 4.125 1.00 0.00 H new ATOM 0 HA ILE A 159 50.106 5.500 1.562 1.00 0.00 H new ATOM 0 HB ILE A 159 49.080 5.061 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.384 2.686 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.903 3.558 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.258 3.792 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.249 5.502 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 159 47.878 4.258 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 159 50.757 1.896 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 159 50.806 3.541 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 159 49.264 2.656 5.220 1.00 0.00 H new ATOM 1708 N LEU A 160 48.278 7.250 1.619 1.00 0.00 N ATOM 1709 CA LEU A 160 47.445 8.439 1.489 1.00 0.00 C ATOM 1710 C LEU A 160 46.027 8.066 1.056 1.00 0.00 C ATOM 1711 O LEU A 160 45.837 7.339 0.082 1.00 0.00 O ATOM 1712 CB LEU A 160 48.062 9.410 0.477 1.00 0.00 C ATOM 1713 CG LEU A 160 47.173 10.591 0.076 1.00 0.00 C ATOM 1714 CD1 LEU A 160 47.987 11.873 0.001 1.00 0.00 C ATOM 1715 CD2 LEU A 160 46.489 10.313 -1.254 1.00 0.00 C ATOM 0 H LEU A 160 48.110 6.540 0.906 1.00 0.00 H new ATOM 0 HA LEU A 160 47.392 8.925 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 160 48.991 9.801 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 160 48.325 8.853 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 160 46.405 10.719 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 160 47.337 12.700 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 160 48.430 12.080 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 160 48.778 11.759 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 160 45.861 11.162 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 160 47.243 10.159 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 160 45.872 9.419 -1.166 1.00 0.00 H new ATOM 1727 N ARG A 161 45.038 8.568 1.789 1.00 0.00 N ATOM 1728 CA ARG A 161 43.637 8.292 1.486 1.00 0.00 C ATOM 1729 C ARG A 161 43.138 9.197 0.362 1.00 0.00 C ATOM 1730 O ARG A 161 43.122 10.420 0.498 1.00 0.00 O ATOM 1731 CB ARG A 161 42.784 8.488 2.744 1.00 0.00 C ATOM 1732 CG ARG A 161 41.284 8.388 2.499 1.00 0.00 C ATOM 1733 CD ARG A 161 40.678 7.185 3.206 1.00 0.00 C ATOM 1734 NE ARG A 161 39.776 6.439 2.334 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.521 6.803 2.078 1.00 0.00 C ATOM 1736 NH1 ARG A 161 38.017 7.904 2.623 1.00 0.00 N ATOM 1737 NH2 ARG A 161 37.768 6.065 1.272 1.00 0.00 N ATOM 0 H ARG A 161 45.181 9.170 2.600 1.00 0.00 H new ATOM 0 HA ARG A 161 43.550 7.258 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 161 43.071 7.742 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 161 43.007 9.465 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 161 40.797 9.299 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 161 41.094 8.315 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 161 41.475 6.527 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 161 40.135 7.519 4.090 1.00 0.00 H new ATOM 0 HE ARG A 161 40.128 5.588 1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.592 8.476 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.055 8.178 2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.151 5.219 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.807 6.343 1.076 1.00 0.00 H new ATOM 1751 N THR A 162 42.732 8.587 -0.749 1.00 0.00 N ATOM 1752 CA THR A 162 42.233 9.342 -1.895 1.00 0.00 C ATOM 1753 C THR A 162 40.707 9.355 -1.928 1.00 0.00 C ATOM 1754 O THR A 162 40.101 10.272 -2.479 1.00 0.00 O ATOM 1755 CB THR A 162 42.784 8.755 -3.195 1.00 0.00 C ATOM 1756 OG1 THR A 162 44.200 8.755 -3.184 1.00 0.00 O ATOM 1757 CG2 THR A 162 42.335 9.506 -4.432 1.00 0.00 C ATOM 0 H THR A 162 42.739 7.575 -0.880 1.00 0.00 H new ATOM 0 HA THR A 162 42.576 10.372 -1.795 1.00 0.00 H new ATOM 0 HB THR A 162 42.388 7.741 -3.243 1.00 0.00 H new ATOM 0 HG1 THR A 162 44.534 8.374 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 162 42.762 9.036 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 162 41.247 9.482 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 162 42.672 10.541 -4.372 1.00 0.00 H new ATOM 1765 N GLU A 163 40.097 8.325 -1.339 1.00 0.00 N ATOM 1766 CA GLU A 163 38.639 8.197 -1.295 1.00 0.00 C ATOM 1767 C GLU A 163 38.112 7.553 -2.575 1.00 0.00 C ATOM 1768 O GLU A 163 38.624 7.893 -3.662 1.00 0.00 O ATOM 1769 CB GLU A 163 37.972 9.565 -1.057 1.00 0.00 C ATOM 1770 CG GLU A 163 37.363 10.196 -2.304 1.00 0.00 C ATOM 1771 CD GLU A 163 37.191 11.697 -2.176 1.00 0.00 C ATOM 1772 OE1 GLU A 163 37.979 12.324 -1.437 1.00 0.00 O ATOM 1773 OE2 GLU A 163 36.268 12.245 -2.815 1.00 0.00 O ATOM 1774 OXT GLU A 163 37.192 6.713 -2.478 1.00 0.00 O ATOM 0 H GLU A 163 40.595 7.561 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 163 38.384 7.548 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 163 37.191 9.449 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 163 38.713 10.249 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 163 37.998 9.979 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 163 36.393 9.739 -2.501 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 60.690 -8.722 -2.041 1.00 0.00 S HETATM 1783 O1 SO4 A 200 59.786 -9.401 -2.988 1.00 0.00 O HETATM 1784 O2 SO4 A 200 59.900 -7.879 -1.124 1.00 0.00 O HETATM 1785 O3 SO4 A 200 61.638 -7.876 -2.790 1.00 0.00 O HETATM 1786 O4 SO4 A 200 61.436 -9.729 -1.265 1.00 0.00 O