USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -173:sc= -3.49! (180deg=-3.55) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0057) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.102 (180deg=-1.03) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 142:sc= -1.95 (180deg=-6.5!) USER MOD Single : A 74 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.096) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-3.8!) USER MOD Single : A 91 THR OG1 : rot 123:sc= 0.102 USER MOD Single : A 92 SER OG : rot -170:sc= -0.0388 USER MOD Single : A 94 SER OG : rot 2:sc= 1.28 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 37:sc= -0.693 USER MOD Single : A 105 MET CE :methyl -145:sc= -2.03! (180deg=-2.13!) USER MOD Single : A 108 LYS NZ :NH3+ -123:sc= 0.237 (180deg=-0.00283) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 16.216 21.591 9.486 1.00 0.00 N ATOM 2 CA GLY A 37 16.984 21.592 10.718 1.00 0.00 C ATOM 3 C GLY A 37 17.751 20.301 10.923 1.00 0.00 C ATOM 4 O GLY A 37 17.837 19.472 10.018 1.00 0.00 O ATOM 0 HA2 GLY A 37 17.683 22.428 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.312 21.750 11.562 1.00 0.00 H new ATOM 8 N SER A 38 18.311 20.132 12.117 1.00 0.00 N ATOM 9 CA SER A 38 19.080 18.935 12.437 1.00 0.00 C ATOM 10 C SER A 38 18.156 17.769 12.774 1.00 0.00 C ATOM 11 O SER A 38 17.289 17.881 13.641 1.00 0.00 O ATOM 12 CB SER A 38 20.024 19.208 13.609 1.00 0.00 C ATOM 13 OG SER A 38 21.179 19.910 13.182 1.00 0.00 O ATOM 0 H SER A 38 18.247 20.808 12.878 1.00 0.00 H new ATOM 0 HA SER A 38 19.669 18.667 11.560 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.504 19.788 14.371 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.318 18.265 14.070 1.00 0.00 H new ATOM 0 HG SER A 38 21.765 20.073 13.950 1.00 0.00 H new ATOM 19 N SER A 39 18.348 16.650 12.083 1.00 0.00 N ATOM 20 CA SER A 39 17.530 15.464 12.306 1.00 0.00 C ATOM 21 C SER A 39 18.019 14.687 13.524 1.00 0.00 C ATOM 22 O SER A 39 17.263 14.441 14.463 1.00 0.00 O ATOM 23 CB SER A 39 17.552 14.564 11.069 1.00 0.00 C ATOM 24 OG SER A 39 16.923 15.194 9.967 1.00 0.00 O ATOM 0 H SER A 39 19.063 16.540 11.364 1.00 0.00 H new ATOM 0 HA SER A 39 16.506 15.789 12.492 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.583 14.319 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.047 13.624 11.291 1.00 0.00 H new ATOM 0 HG SER A 39 16.952 14.598 9.189 1.00 0.00 H new ATOM 30 N GLY A 40 19.292 14.303 13.501 1.00 0.00 N ATOM 31 CA GLY A 40 19.862 13.558 14.607 1.00 0.00 C ATOM 32 C GLY A 40 19.733 12.058 14.425 1.00 0.00 C ATOM 33 O GLY A 40 20.728 11.363 14.223 1.00 0.00 O ATOM 0 H GLY A 40 19.938 14.495 12.736 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.915 13.819 14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.367 13.852 15.532 1.00 0.00 H new ATOM 37 N SER A 41 18.504 11.559 14.497 1.00 0.00 N ATOM 38 CA SER A 41 18.248 10.131 14.344 1.00 0.00 C ATOM 39 C SER A 41 18.537 9.678 12.916 1.00 0.00 C ATOM 40 O SER A 41 17.823 10.042 11.981 1.00 0.00 O ATOM 41 CB SER A 41 16.798 9.809 14.711 1.00 0.00 C ATOM 42 OG SER A 41 16.671 8.469 15.154 1.00 0.00 O ATOM 0 H SER A 41 17.669 12.122 14.660 1.00 0.00 H new ATOM 0 HA SER A 41 18.913 9.593 15.019 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.458 10.488 15.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.155 9.972 13.846 1.00 0.00 H new ATOM 0 HG SER A 41 15.736 8.288 15.384 1.00 0.00 H new ATOM 48 N SER A 42 19.588 8.881 12.755 1.00 0.00 N ATOM 49 CA SER A 42 19.974 8.381 11.442 1.00 0.00 C ATOM 50 C SER A 42 18.746 7.991 10.626 1.00 0.00 C ATOM 51 O SER A 42 18.567 8.445 9.496 1.00 0.00 O ATOM 52 CB SER A 42 20.908 7.177 11.585 1.00 0.00 C ATOM 53 OG SER A 42 21.666 6.976 10.405 1.00 0.00 O ATOM 0 H SER A 42 20.188 8.568 13.518 1.00 0.00 H new ATOM 0 HA SER A 42 20.499 9.179 10.917 1.00 0.00 H new ATOM 0 HB2 SER A 42 21.579 7.332 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 42 20.323 6.283 11.802 1.00 0.00 H new ATOM 0 HG SER A 42 22.256 6.202 10.523 1.00 0.00 H new ATOM 59 N GLY A 43 17.900 7.145 11.208 1.00 0.00 N ATOM 60 CA GLY A 43 16.699 6.708 10.521 1.00 0.00 C ATOM 61 C GLY A 43 15.462 7.451 10.986 1.00 0.00 C ATOM 62 O GLY A 43 15.130 7.434 12.171 1.00 0.00 O ATOM 0 H GLY A 43 18.025 6.755 12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.825 6.854 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.560 5.639 10.684 1.00 0.00 H new ATOM 66 N GLN A 44 14.781 8.106 10.052 1.00 0.00 N ATOM 67 CA GLN A 44 13.576 8.861 10.374 1.00 0.00 C ATOM 68 C GLN A 44 12.525 8.700 9.280 1.00 0.00 C ATOM 69 O GLN A 44 12.855 8.497 8.112 1.00 0.00 O ATOM 70 CB GLN A 44 13.911 10.342 10.562 1.00 0.00 C ATOM 71 CG GLN A 44 12.988 11.055 11.536 1.00 0.00 C ATOM 72 CD GLN A 44 13.218 12.553 11.567 1.00 0.00 C ATOM 73 OE1 GLN A 44 14.354 13.021 11.485 1.00 0.00 O ATOM 74 NE2 GLN A 44 12.137 13.316 11.685 1.00 0.00 N ATOM 0 H GLN A 44 15.043 8.129 9.066 1.00 0.00 H new ATOM 0 HA GLN A 44 13.169 8.467 11.305 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.938 10.432 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.862 10.843 9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.952 10.856 11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.137 10.648 12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.214 12.886 11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.230 14.331 11.711 1.00 0.00 H new ATOM 83 N LYS A 45 11.257 8.791 9.667 1.00 0.00 N ATOM 84 CA LYS A 45 10.156 8.657 8.721 1.00 0.00 C ATOM 85 C LYS A 45 10.427 9.460 7.453 1.00 0.00 C ATOM 86 O LYS A 45 10.187 8.987 6.343 1.00 0.00 O ATOM 87 CB LYS A 45 8.846 9.121 9.362 1.00 0.00 C ATOM 88 CG LYS A 45 8.322 8.176 10.429 1.00 0.00 C ATOM 89 CD LYS A 45 6.878 8.483 10.786 1.00 0.00 C ATOM 90 CE LYS A 45 6.352 7.533 11.851 1.00 0.00 C ATOM 91 NZ LYS A 45 6.661 8.016 13.226 1.00 0.00 N ATOM 0 H LYS A 45 10.966 8.957 10.631 1.00 0.00 H new ATOM 0 HA LYS A 45 10.068 7.605 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.996 10.106 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.090 9.232 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.399 7.148 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.943 8.254 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.801 9.510 11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.258 8.409 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.273 7.423 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.790 6.546 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.286 7.341 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.691 8.097 13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.221 8.947 13.374 1.00 0.00 H new ATOM 105 N VAL A 46 10.930 10.679 7.627 1.00 0.00 N ATOM 106 CA VAL A 46 11.236 11.547 6.496 1.00 0.00 C ATOM 107 C VAL A 46 11.764 10.743 5.313 1.00 0.00 C ATOM 108 O VAL A 46 11.101 10.630 4.282 1.00 0.00 O ATOM 109 CB VAL A 46 12.274 12.620 6.877 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.704 13.407 5.649 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.713 13.547 7.945 1.00 0.00 C ATOM 0 H VAL A 46 11.134 11.087 8.539 1.00 0.00 H new ATOM 0 HA VAL A 46 10.305 12.037 6.212 1.00 0.00 H new ATOM 0 HB VAL A 46 13.153 12.122 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.437 14.160 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.148 12.729 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.836 13.896 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.459 14.299 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.818 14.039 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.460 12.968 8.833 1.00 0.00 H new ATOM 121 N GLU A 47 12.961 10.186 5.469 1.00 0.00 N ATOM 122 CA GLU A 47 13.578 9.393 4.413 1.00 0.00 C ATOM 123 C GLU A 47 12.570 8.424 3.801 1.00 0.00 C ATOM 124 O GLU A 47 12.247 8.512 2.617 1.00 0.00 O ATOM 125 CB GLU A 47 14.778 8.619 4.960 1.00 0.00 C ATOM 126 CG GLU A 47 15.942 9.508 5.366 1.00 0.00 C ATOM 127 CD GLU A 47 15.814 10.025 6.786 1.00 0.00 C ATOM 128 OE1 GLU A 47 15.527 9.213 7.690 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.001 11.242 6.993 1.00 0.00 O ATOM 0 H GLU A 47 13.522 10.270 6.317 1.00 0.00 H new ATOM 0 HA GLU A 47 13.920 10.075 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.460 8.035 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.119 7.911 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.872 8.948 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.006 10.353 4.680 1.00 0.00 H new ATOM 136 N PHE A 48 12.076 7.499 4.619 1.00 0.00 N ATOM 137 CA PHE A 48 11.107 6.512 4.159 1.00 0.00 C ATOM 138 C PHE A 48 10.046 7.162 3.275 1.00 0.00 C ATOM 139 O PHE A 48 9.828 6.743 2.138 1.00 0.00 O ATOM 140 CB PHE A 48 10.441 5.826 5.354 1.00 0.00 C ATOM 141 CG PHE A 48 9.394 4.822 4.962 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.755 3.553 4.540 1.00 0.00 C ATOM 143 CD2 PHE A 48 8.048 5.148 5.015 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.794 2.628 4.178 1.00 0.00 C ATOM 145 CE2 PHE A 48 7.082 4.228 4.655 1.00 0.00 C ATOM 146 CZ PHE A 48 7.456 2.966 4.237 1.00 0.00 C ATOM 0 H PHE A 48 12.331 7.413 5.603 1.00 0.00 H new ATOM 0 HA PHE A 48 11.638 5.765 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.206 5.328 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.985 6.584 5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.800 3.283 4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.750 6.133 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.089 1.642 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.037 4.495 4.700 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.703 2.244 3.957 1.00 0.00 H new ATOM 156 N ARG A 49 9.389 8.187 3.807 1.00 0.00 N ATOM 157 CA ARG A 49 8.350 8.894 3.068 1.00 0.00 C ATOM 158 C ARG A 49 8.795 9.173 1.635 1.00 0.00 C ATOM 159 O ARG A 49 8.147 8.749 0.678 1.00 0.00 O ATOM 160 CB ARG A 49 8.000 10.208 3.769 1.00 0.00 C ATOM 161 CG ARG A 49 6.675 10.804 3.321 1.00 0.00 C ATOM 162 CD ARG A 49 6.051 11.658 4.413 1.00 0.00 C ATOM 163 NE ARG A 49 5.044 12.574 3.883 1.00 0.00 N ATOM 164 CZ ARG A 49 4.645 13.672 4.514 1.00 0.00 C ATOM 165 NH1 ARG A 49 5.164 13.990 5.691 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.724 14.456 3.967 1.00 0.00 N ATOM 0 H ARG A 49 9.558 8.546 4.747 1.00 0.00 H new ATOM 0 HA ARG A 49 7.465 8.259 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.967 10.038 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.795 10.931 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.831 11.410 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.988 10.003 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.594 11.011 5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.831 12.229 4.917 1.00 0.00 H new ATOM 0 HE ARG A 49 4.624 12.358 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.872 13.391 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.855 14.834 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.322 14.215 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.418 15.299 4.453 1.00 0.00 H new ATOM 180 N LYS A 50 9.906 9.889 1.495 1.00 0.00 N ATOM 181 CA LYS A 50 10.439 10.225 0.181 1.00 0.00 C ATOM 182 C LYS A 50 10.446 9.003 -0.732 1.00 0.00 C ATOM 183 O LYS A 50 9.935 9.049 -1.851 1.00 0.00 O ATOM 184 CB LYS A 50 11.858 10.785 0.311 1.00 0.00 C ATOM 185 CG LYS A 50 11.948 12.010 1.205 1.00 0.00 C ATOM 186 CD LYS A 50 13.359 12.574 1.238 1.00 0.00 C ATOM 187 CE LYS A 50 13.445 13.808 2.122 1.00 0.00 C ATOM 188 NZ LYS A 50 14.761 14.493 1.991 1.00 0.00 N ATOM 0 H LYS A 50 10.455 10.248 2.277 1.00 0.00 H new ATOM 0 HA LYS A 50 9.794 10.984 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.512 10.008 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.231 11.041 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.258 12.774 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.636 11.747 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.048 11.813 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.674 12.827 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.647 14.501 1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.286 13.522 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.780 15.329 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.521 13.840 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.902 14.789 1.004 1.00 0.00 H new ATOM 202 N ARG A 51 11.028 7.911 -0.247 1.00 0.00 N ATOM 203 CA ARG A 51 11.100 6.676 -1.019 1.00 0.00 C ATOM 204 C ARG A 51 9.728 6.296 -1.566 1.00 0.00 C ATOM 205 O ARG A 51 9.551 6.143 -2.774 1.00 0.00 O ATOM 206 CB ARG A 51 11.649 5.540 -0.154 1.00 0.00 C ATOM 207 CG ARG A 51 11.870 4.245 -0.919 1.00 0.00 C ATOM 208 CD ARG A 51 12.618 3.222 -0.078 1.00 0.00 C ATOM 209 NE ARG A 51 12.733 1.934 -0.756 1.00 0.00 N ATOM 210 CZ ARG A 51 13.647 1.672 -1.684 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.521 2.602 -2.041 1.00 0.00 N ATOM 212 NH2 ARG A 51 13.688 0.475 -2.256 1.00 0.00 N ATOM 0 H ARG A 51 11.457 7.856 0.677 1.00 0.00 H new ATOM 0 HA ARG A 51 11.774 6.841 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.593 5.856 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.958 5.353 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.908 3.833 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.433 4.451 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.614 3.601 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.101 3.086 0.872 1.00 0.00 H new ATOM 0 HE ARG A 51 12.076 1.196 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.494 3.523 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.221 2.397 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.018 -0.244 -1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.390 0.274 -2.968 1.00 0.00 H new ATOM 226 N MET A 52 8.760 6.144 -0.668 1.00 0.00 N ATOM 227 CA MET A 52 7.403 5.782 -1.062 1.00 0.00 C ATOM 228 C MET A 52 6.895 6.699 -2.170 1.00 0.00 C ATOM 229 O MET A 52 6.341 6.235 -3.166 1.00 0.00 O ATOM 230 CB MET A 52 6.463 5.853 0.144 1.00 0.00 C ATOM 231 CG MET A 52 6.560 4.644 1.061 1.00 0.00 C ATOM 232 SD MET A 52 8.187 4.474 1.818 1.00 0.00 S ATOM 233 CE MET A 52 8.995 3.390 0.644 1.00 0.00 C ATOM 0 H MET A 52 8.890 6.266 0.336 1.00 0.00 H new ATOM 0 HA MET A 52 7.422 4.760 -1.440 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.688 6.753 0.717 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.437 5.949 -0.210 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.806 4.726 1.844 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.332 3.742 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.968 3.091 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.380 2.504 0.484 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.130 3.914 -0.302 1.00 0.00 H new ATOM 243 N GLU A 53 7.089 8.002 -1.990 1.00 0.00 N ATOM 244 CA GLU A 53 6.649 8.982 -2.976 1.00 0.00 C ATOM 245 C GLU A 53 7.171 8.628 -4.366 1.00 0.00 C ATOM 246 O GLU A 53 6.452 8.739 -5.359 1.00 0.00 O ATOM 247 CB GLU A 53 7.124 10.382 -2.583 1.00 0.00 C ATOM 248 CG GLU A 53 6.581 10.856 -1.245 1.00 0.00 C ATOM 249 CD GLU A 53 6.915 12.307 -0.960 1.00 0.00 C ATOM 250 OE1 GLU A 53 8.042 12.575 -0.493 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.051 13.175 -1.204 1.00 0.00 O ATOM 0 H GLU A 53 7.547 8.403 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 53 5.559 8.969 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.213 10.390 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.826 11.088 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.499 10.727 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.988 10.231 -0.450 1.00 0.00 H new ATOM 258 N LYS A 54 8.428 8.202 -4.429 1.00 0.00 N ATOM 259 CA LYS A 54 9.048 7.831 -5.695 1.00 0.00 C ATOM 260 C LYS A 54 8.442 6.542 -6.240 1.00 0.00 C ATOM 261 O LYS A 54 8.088 6.461 -7.416 1.00 0.00 O ATOM 262 CB LYS A 54 10.559 7.661 -5.516 1.00 0.00 C ATOM 263 CG LYS A 54 11.334 7.706 -6.821 1.00 0.00 C ATOM 264 CD LYS A 54 11.587 9.135 -7.271 1.00 0.00 C ATOM 265 CE LYS A 54 11.788 9.218 -8.777 1.00 0.00 C ATOM 266 NZ LYS A 54 12.419 10.504 -9.182 1.00 0.00 N ATOM 0 H LYS A 54 9.038 8.105 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 54 8.861 8.631 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.929 8.446 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.753 6.710 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.285 7.189 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.779 7.173 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.745 9.764 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.468 9.527 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.412 8.388 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.826 9.112 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.539 10.522 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.811 11.296 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.348 10.594 -8.724 1.00 0.00 H new ATOM 280 N GLU A 55 8.325 5.537 -5.378 1.00 0.00 N ATOM 281 CA GLU A 55 7.761 4.252 -5.774 1.00 0.00 C ATOM 282 C GLU A 55 6.346 4.425 -6.319 1.00 0.00 C ATOM 283 O GLU A 55 6.041 3.999 -7.434 1.00 0.00 O ATOM 284 CB GLU A 55 7.747 3.287 -4.587 1.00 0.00 C ATOM 285 CG GLU A 55 9.120 2.739 -4.233 1.00 0.00 C ATOM 286 CD GLU A 55 9.554 1.614 -5.152 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.352 1.739 -6.378 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.095 0.609 -4.646 1.00 0.00 O ATOM 0 H GLU A 55 8.613 5.588 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 55 8.389 3.836 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.334 3.799 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.080 2.455 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.852 3.545 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.109 2.379 -3.204 1.00 0.00 H new ATOM 295 N VAL A 56 5.484 5.052 -5.525 1.00 0.00 N ATOM 296 CA VAL A 56 4.102 5.282 -5.927 1.00 0.00 C ATOM 297 C VAL A 56 4.031 5.970 -7.285 1.00 0.00 C ATOM 298 O VAL A 56 3.452 5.438 -8.233 1.00 0.00 O ATOM 299 CB VAL A 56 3.351 6.139 -4.890 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.947 6.462 -5.379 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.306 5.430 -3.545 1.00 0.00 C ATOM 0 H VAL A 56 5.719 5.410 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 56 3.625 4.304 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 56 3.890 7.078 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.432 7.068 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.006 7.014 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.395 5.536 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.772 6.050 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.792 4.475 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.322 5.256 -3.191 1.00 0.00 H new ATOM 311 N SER A 57 4.625 7.156 -7.374 1.00 0.00 N ATOM 312 CA SER A 57 4.627 7.919 -8.616 1.00 0.00 C ATOM 313 C SER A 57 4.919 7.013 -9.809 1.00 0.00 C ATOM 314 O SER A 57 4.142 6.956 -10.763 1.00 0.00 O ATOM 315 CB SER A 57 5.665 9.041 -8.549 1.00 0.00 C ATOM 316 OG SER A 57 5.389 10.049 -9.506 1.00 0.00 O ATOM 0 H SER A 57 5.111 7.609 -6.600 1.00 0.00 H new ATOM 0 HA SER A 57 3.637 8.356 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.671 9.476 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.660 8.631 -8.724 1.00 0.00 H new ATOM 0 HG SER A 57 6.065 10.755 -9.442 1.00 0.00 H new ATOM 322 N ASP A 58 6.043 6.308 -9.748 1.00 0.00 N ATOM 323 CA ASP A 58 6.438 5.404 -10.822 1.00 0.00 C ATOM 324 C ASP A 58 5.283 4.487 -11.213 1.00 0.00 C ATOM 325 O ASP A 58 5.015 4.279 -12.397 1.00 0.00 O ATOM 326 CB ASP A 58 7.646 4.569 -10.396 1.00 0.00 C ATOM 327 CG ASP A 58 8.028 3.532 -11.434 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.618 3.914 -12.466 1.00 0.00 O ATOM 329 OD2 ASP A 58 7.737 2.338 -11.213 1.00 0.00 O ATOM 0 H ASP A 58 6.697 6.345 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 58 6.710 6.006 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.495 5.229 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.425 4.070 -9.453 1.00 0.00 H new ATOM 334 N PHE A 59 4.602 3.941 -10.211 1.00 0.00 N ATOM 335 CA PHE A 59 3.477 3.045 -10.450 1.00 0.00 C ATOM 336 C PHE A 59 2.320 3.788 -11.111 1.00 0.00 C ATOM 337 O PHE A 59 1.653 3.256 -11.999 1.00 0.00 O ATOM 338 CB PHE A 59 3.010 2.417 -9.135 1.00 0.00 C ATOM 339 CG PHE A 59 1.591 1.926 -9.176 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.533 2.820 -9.150 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.315 0.570 -9.240 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.774 2.372 -9.188 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.011 0.115 -9.279 1.00 0.00 C ATOM 344 CZ PHE A 59 -1.035 1.017 -9.252 1.00 0.00 C ATOM 0 H PHE A 59 4.810 4.103 -9.226 1.00 0.00 H new ATOM 0 HA PHE A 59 3.810 2.256 -11.124 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.667 1.584 -8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.109 3.151 -8.336 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.732 3.880 -9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.129 -0.140 -9.260 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.589 3.080 -9.168 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.190 -0.945 -9.331 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.055 0.663 -9.281 1.00 0.00 H new ATOM 354 N ILE A 60 2.089 5.020 -10.672 1.00 0.00 N ATOM 355 CA ILE A 60 1.013 5.837 -11.221 1.00 0.00 C ATOM 356 C ILE A 60 1.128 5.950 -12.737 1.00 0.00 C ATOM 357 O ILE A 60 0.231 5.532 -13.469 1.00 0.00 O ATOM 358 CB ILE A 60 1.013 7.251 -10.610 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.840 7.175 -9.092 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.089 8.096 -11.233 1.00 0.00 C ATOM 361 CD1 ILE A 60 1.022 8.505 -8.396 1.00 0.00 C ATOM 0 H ILE A 60 2.632 5.475 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 60 0.077 5.340 -10.966 1.00 0.00 H new ATOM 0 HB ILE A 60 1.972 7.723 -10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.154 6.789 -8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.558 6.461 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.077 9.093 -10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.075 8.173 -12.308 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.056 7.628 -11.046 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.885 8.376 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.025 8.883 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.287 9.216 -8.772 1.00 0.00 H new ATOM 373 N GLN A 61 2.238 6.515 -13.200 1.00 0.00 N ATOM 374 CA GLN A 61 2.470 6.682 -14.630 1.00 0.00 C ATOM 375 C GLN A 61 2.372 5.344 -15.357 1.00 0.00 C ATOM 376 O GLN A 61 1.722 5.239 -16.398 1.00 0.00 O ATOM 377 CB GLN A 61 3.844 7.309 -14.876 1.00 0.00 C ATOM 378 CG GLN A 61 4.046 8.632 -14.156 1.00 0.00 C ATOM 379 CD GLN A 61 5.456 9.169 -14.305 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.222 8.705 -15.150 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.806 10.151 -13.483 1.00 0.00 N ATOM 0 H GLN A 61 2.990 6.865 -12.607 1.00 0.00 H new ATOM 0 HA GLN A 61 1.700 7.346 -15.022 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.616 6.609 -14.556 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.977 7.463 -15.947 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.339 9.365 -14.546 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.820 8.503 -13.097 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.138 10.505 -12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.742 10.552 -13.537 1.00 0.00 H new ATOM 390 N ASP A 62 3.020 4.326 -14.802 1.00 0.00 N ATOM 391 CA ASP A 62 3.005 2.995 -15.397 1.00 0.00 C ATOM 392 C ASP A 62 1.580 2.459 -15.493 1.00 0.00 C ATOM 393 O ASP A 62 0.918 2.243 -14.478 1.00 0.00 O ATOM 394 CB ASP A 62 3.870 2.036 -14.577 1.00 0.00 C ATOM 395 CG ASP A 62 4.444 0.913 -15.417 1.00 0.00 C ATOM 396 OD1 ASP A 62 3.675 0.284 -16.174 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.664 0.663 -15.318 1.00 0.00 O ATOM 0 H ASP A 62 3.562 4.397 -13.941 1.00 0.00 H new ATOM 0 HA ASP A 62 3.415 3.070 -16.404 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.685 2.592 -14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.273 1.613 -13.769 1.00 0.00 H new ATOM 402 N SER A 63 1.114 2.246 -16.720 1.00 0.00 N ATOM 403 CA SER A 63 -0.234 1.740 -16.948 1.00 0.00 C ATOM 404 C SER A 63 -0.306 0.242 -16.670 1.00 0.00 C ATOM 405 O SER A 63 -1.185 -0.225 -15.947 1.00 0.00 O ATOM 406 CB SER A 63 -0.672 2.025 -18.386 1.00 0.00 C ATOM 407 OG SER A 63 -1.045 3.383 -18.546 1.00 0.00 O ATOM 0 H SER A 63 1.650 2.416 -17.571 1.00 0.00 H new ATOM 0 HA SER A 63 -0.909 2.252 -16.262 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.141 1.785 -19.071 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.511 1.381 -18.648 1.00 0.00 H new ATOM 0 HG SER A 63 -1.319 3.540 -19.474 1.00 0.00 H new ATOM 413 N GLY A 64 0.626 -0.507 -17.251 1.00 0.00 N ATOM 414 CA GLY A 64 0.651 -1.945 -17.055 1.00 0.00 C ATOM 415 C GLY A 64 0.368 -2.339 -15.619 1.00 0.00 C ATOM 416 O GLY A 64 -0.340 -3.313 -15.365 1.00 0.00 O ATOM 0 H GLY A 64 1.364 -0.144 -17.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.087 -2.411 -17.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.627 -2.332 -17.349 1.00 0.00 H new ATOM 420 N GLN A 65 0.924 -1.582 -14.678 1.00 0.00 N ATOM 421 CA GLN A 65 0.728 -1.860 -13.260 1.00 0.00 C ATOM 422 C GLN A 65 -0.605 -1.300 -12.775 1.00 0.00 C ATOM 423 O GLN A 65 -0.822 -0.088 -12.787 1.00 0.00 O ATOM 424 CB GLN A 65 1.874 -1.265 -12.440 1.00 0.00 C ATOM 425 CG GLN A 65 3.233 -1.859 -12.772 1.00 0.00 C ATOM 426 CD GLN A 65 4.185 -1.834 -11.593 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.680 -2.874 -11.157 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.449 -0.642 -11.070 1.00 0.00 N ATOM 0 H GLN A 65 1.513 -0.772 -14.872 1.00 0.00 H new ATOM 0 HA GLN A 65 0.717 -2.942 -13.125 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.907 -0.188 -12.606 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.669 -1.418 -11.380 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.103 -2.888 -13.107 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.674 -1.306 -13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.017 0.194 -11.463 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.084 -0.563 -10.276 1.00 0.00 H new ATOM 437 N ILE A 66 -1.494 -2.190 -12.348 1.00 0.00 N ATOM 438 CA ILE A 66 -2.806 -1.785 -11.858 1.00 0.00 C ATOM 439 C ILE A 66 -2.840 -1.763 -10.333 1.00 0.00 C ATOM 440 O ILE A 66 -3.721 -1.151 -9.729 1.00 0.00 O ATOM 441 CB ILE A 66 -3.914 -2.723 -12.371 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.746 -4.121 -11.773 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.892 -2.785 -13.891 1.00 0.00 C ATOM 444 CD1 ILE A 66 -5.029 -4.922 -11.741 1.00 0.00 C ATOM 0 H ILE A 66 -1.330 -3.197 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.988 -0.780 -12.239 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.880 -2.328 -12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.000 -4.667 -12.351 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.359 -4.029 -10.758 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.681 -3.452 -14.239 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.054 -1.787 -14.298 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.925 -3.161 -14.226 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.835 -5.902 -11.305 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.771 -4.397 -11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.407 -5.045 -12.756 1.00 0.00 H new ATOM 456 N LYS A 67 -1.873 -2.434 -9.716 1.00 0.00 N ATOM 457 CA LYS A 67 -1.789 -2.490 -8.261 1.00 0.00 C ATOM 458 C LYS A 67 -0.352 -2.726 -7.808 1.00 0.00 C ATOM 459 O LYS A 67 0.471 -3.244 -8.563 1.00 0.00 O ATOM 460 CB LYS A 67 -2.695 -3.598 -7.720 1.00 0.00 C ATOM 461 CG LYS A 67 -2.291 -4.990 -8.175 1.00 0.00 C ATOM 462 CD LYS A 67 -2.990 -6.067 -7.362 1.00 0.00 C ATOM 463 CE LYS A 67 -2.905 -7.424 -8.045 1.00 0.00 C ATOM 464 NZ LYS A 67 -1.498 -7.892 -8.176 1.00 0.00 N ATOM 0 H LYS A 67 -1.136 -2.947 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.123 -1.531 -7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.686 -3.564 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.720 -3.405 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.534 -5.114 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.211 -5.105 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.538 -6.128 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.036 -5.795 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.479 -8.154 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.361 -7.362 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.485 -8.835 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.964 -7.226 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.060 -7.943 -7.234 1.00 0.00 H new ATOM 478 N LYS A 68 -0.057 -2.344 -6.570 1.00 0.00 N ATOM 479 CA LYS A 68 1.280 -2.517 -6.014 1.00 0.00 C ATOM 480 C LYS A 68 1.211 -3.052 -4.587 1.00 0.00 C ATOM 481 O LYS A 68 0.696 -2.388 -3.688 1.00 0.00 O ATOM 482 CB LYS A 68 2.039 -1.188 -6.035 1.00 0.00 C ATOM 483 CG LYS A 68 3.464 -1.293 -5.521 1.00 0.00 C ATOM 484 CD LYS A 68 4.348 -0.201 -6.099 1.00 0.00 C ATOM 485 CE LYS A 68 5.815 -0.602 -6.082 1.00 0.00 C ATOM 486 NZ LYS A 68 6.686 0.453 -6.670 1.00 0.00 N ATOM 0 H LYS A 68 -0.726 -1.912 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 68 1.811 -3.242 -6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.057 -0.806 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.497 -0.460 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.465 -1.225 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.874 -2.269 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.040 0.013 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.214 0.717 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.126 -0.799 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.944 -1.531 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.651 0.356 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.705 0.350 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.311 1.391 -6.422 1.00 0.00 H new ATOM 500 N LYS A 69 1.734 -4.257 -4.386 1.00 0.00 N ATOM 501 CA LYS A 69 1.735 -4.881 -3.069 1.00 0.00 C ATOM 502 C LYS A 69 3.060 -4.638 -2.352 1.00 0.00 C ATOM 503 O LYS A 69 4.110 -5.104 -2.794 1.00 0.00 O ATOM 504 CB LYS A 69 1.479 -6.385 -3.194 1.00 0.00 C ATOM 505 CG LYS A 69 1.229 -7.072 -1.863 1.00 0.00 C ATOM 506 CD LYS A 69 2.523 -7.572 -1.242 1.00 0.00 C ATOM 507 CE LYS A 69 2.283 -8.781 -0.351 1.00 0.00 C ATOM 508 NZ LYS A 69 3.560 -9.391 0.113 1.00 0.00 N ATOM 0 H LYS A 69 2.163 -4.821 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 69 0.936 -4.430 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.619 -6.546 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.336 -6.852 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.741 -6.377 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.546 -7.909 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.229 -7.834 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.980 -6.773 -0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.688 -8.483 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.703 -9.525 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.353 -10.212 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.117 -9.698 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.103 -8.689 0.656 1.00 0.00 H new ATOM 522 N PHE A 70 3.003 -3.908 -1.244 1.00 0.00 N ATOM 523 CA PHE A 70 4.198 -3.604 -0.466 1.00 0.00 C ATOM 524 C PHE A 70 4.401 -4.632 0.643 1.00 0.00 C ATOM 525 O PHE A 70 3.438 -5.171 1.187 1.00 0.00 O ATOM 526 CB PHE A 70 4.098 -2.200 0.136 1.00 0.00 C ATOM 527 CG PHE A 70 4.193 -1.102 -0.885 1.00 0.00 C ATOM 528 CD1 PHE A 70 3.056 -0.625 -1.517 1.00 0.00 C ATOM 529 CD2 PHE A 70 5.420 -0.547 -1.212 1.00 0.00 C ATOM 530 CE1 PHE A 70 3.141 0.384 -2.457 1.00 0.00 C ATOM 531 CE2 PHE A 70 5.511 0.463 -2.151 1.00 0.00 C ATOM 532 CZ PHE A 70 4.370 0.930 -2.773 1.00 0.00 C ATOM 0 H PHE A 70 2.142 -3.516 -0.864 1.00 0.00 H new ATOM 0 HA PHE A 70 5.057 -3.644 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.152 -2.109 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.892 -2.071 0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.092 -1.047 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.315 -0.908 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.248 0.746 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.473 0.886 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.438 1.721 -3.505 1.00 0.00 H new ATOM 542 N GLN A 71 5.661 -4.897 0.972 1.00 0.00 N ATOM 543 CA GLN A 71 5.991 -5.861 2.015 1.00 0.00 C ATOM 544 C GLN A 71 5.966 -5.204 3.391 1.00 0.00 C ATOM 545 O GLN A 71 6.436 -4.081 3.578 1.00 0.00 O ATOM 546 CB GLN A 71 7.367 -6.476 1.755 1.00 0.00 C ATOM 547 CG GLN A 71 7.454 -7.240 0.444 1.00 0.00 C ATOM 548 CD GLN A 71 8.777 -7.961 0.275 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.659 -7.502 -0.451 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.922 -9.097 0.947 1.00 0.00 N ATOM 0 H GLN A 71 6.470 -4.458 0.532 1.00 0.00 H new ATOM 0 HA GLN A 71 5.239 -6.650 1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.116 -5.684 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.616 -7.149 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.641 -7.964 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.314 -6.547 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.165 -9.441 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.791 -9.626 0.873 1.00 0.00 H new ATOM 559 N PRO A 72 5.406 -5.918 4.379 1.00 0.00 N ATOM 560 CA PRO A 72 5.307 -5.423 5.755 1.00 0.00 C ATOM 561 C PRO A 72 6.665 -5.353 6.445 1.00 0.00 C ATOM 562 O PRO A 72 7.024 -6.237 7.222 1.00 0.00 O ATOM 563 CB PRO A 72 4.412 -6.459 6.441 1.00 0.00 C ATOM 564 CG PRO A 72 4.599 -7.706 5.647 1.00 0.00 C ATOM 565 CD PRO A 72 4.826 -7.263 4.228 1.00 0.00 C ATOM 0 HA PRO A 72 4.915 -4.407 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.701 -6.605 7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.369 -6.143 6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.448 -8.281 6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.723 -8.350 5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.503 -7.935 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.895 -7.238 3.661 1.00 0.00 H new ATOM 573 N MET A 73 7.416 -4.295 6.156 1.00 0.00 N ATOM 574 CA MET A 73 8.734 -4.109 6.750 1.00 0.00 C ATOM 575 C MET A 73 8.623 -3.471 8.131 1.00 0.00 C ATOM 576 O MET A 73 9.309 -3.875 9.069 1.00 0.00 O ATOM 577 CB MET A 73 9.608 -3.240 5.843 1.00 0.00 C ATOM 578 CG MET A 73 9.963 -3.905 4.523 1.00 0.00 C ATOM 579 SD MET A 73 10.381 -2.713 3.236 1.00 0.00 S ATOM 580 CE MET A 73 8.751 -2.145 2.758 1.00 0.00 C ATOM 0 H MET A 73 7.134 -3.554 5.514 1.00 0.00 H new ATOM 0 HA MET A 73 9.198 -5.090 6.858 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.088 -2.303 5.640 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.527 -2.987 6.372 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.805 -4.580 4.675 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.123 -4.514 4.190 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.785 -1.076 2.549 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.427 -2.679 1.865 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.048 -2.334 3.569 1.00 0.00 H new ATOM 590 N ASN A 74 7.754 -2.472 8.249 1.00 0.00 N ATOM 591 CA ASN A 74 7.554 -1.778 9.516 1.00 0.00 C ATOM 592 C ASN A 74 6.073 -1.727 9.880 1.00 0.00 C ATOM 593 O ASN A 74 5.205 -1.815 9.011 1.00 0.00 O ATOM 594 CB ASN A 74 8.120 -0.359 9.438 1.00 0.00 C ATOM 595 CG ASN A 74 9.512 -0.324 8.836 1.00 0.00 C ATOM 596 OD1 ASN A 74 9.679 -0.464 7.624 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.518 -0.136 9.682 1.00 0.00 N ATOM 0 H ASN A 74 7.177 -2.125 7.483 1.00 0.00 H new ATOM 0 HA ASN A 74 8.082 -2.331 10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.453 0.263 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.149 0.073 10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.477 -0.103 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.332 -0.025 10.679 1.00 0.00 H new ATOM 604 N LYS A 75 5.792 -1.584 11.171 1.00 0.00 N ATOM 605 CA LYS A 75 4.417 -1.520 11.652 1.00 0.00 C ATOM 606 C LYS A 75 3.798 -0.158 11.351 1.00 0.00 C ATOM 607 O LYS A 75 2.583 -0.041 11.187 1.00 0.00 O ATOM 608 CB LYS A 75 4.368 -1.792 13.157 1.00 0.00 C ATOM 609 CG LYS A 75 4.236 -3.264 13.505 1.00 0.00 C ATOM 610 CD LYS A 75 5.588 -3.958 13.519 1.00 0.00 C ATOM 611 CE LYS A 75 6.383 -3.602 14.766 1.00 0.00 C ATOM 612 NZ LYS A 75 6.115 -4.548 15.884 1.00 0.00 N ATOM 0 H LYS A 75 6.499 -1.510 11.903 1.00 0.00 H new ATOM 0 HA LYS A 75 3.841 -2.285 11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.273 -1.398 13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.528 -1.248 13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.763 -3.367 14.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.583 -3.752 12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.445 -5.038 13.473 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.154 -3.674 12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.448 -3.609 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.132 -2.589 15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.676 -4.271 16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.104 -4.523 16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.378 -5.511 15.594 1.00 0.00 H new ATOM 626 N ILE A 76 4.641 0.866 11.277 1.00 0.00 N ATOM 627 CA ILE A 76 4.177 2.218 10.992 1.00 0.00 C ATOM 628 C ILE A 76 4.299 2.541 9.507 1.00 0.00 C ATOM 629 O ILE A 76 3.728 3.518 9.025 1.00 0.00 O ATOM 630 CB ILE A 76 4.965 3.266 11.800 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.011 2.873 13.278 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.341 4.644 11.632 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.683 3.027 13.986 1.00 0.00 C ATOM 0 H ILE A 76 5.649 0.785 11.410 1.00 0.00 H new ATOM 0 HA ILE A 76 3.128 2.259 11.285 1.00 0.00 H new ATOM 0 HB ILE A 76 5.986 3.303 11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.339 1.837 13.360 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.757 3.485 13.785 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.909 5.374 12.209 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.355 4.924 10.579 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.311 4.623 11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.790 2.731 15.029 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.362 4.068 13.936 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.938 2.394 13.504 1.00 0.00 H new ATOM 645 N GLU A 77 5.047 1.710 8.787 1.00 0.00 N ATOM 646 CA GLU A 77 5.244 1.907 7.355 1.00 0.00 C ATOM 647 C GLU A 77 3.906 1.946 6.623 1.00 0.00 C ATOM 648 O GLU A 77 3.735 2.692 5.659 1.00 0.00 O ATOM 649 CB GLU A 77 6.120 0.793 6.780 1.00 0.00 C ATOM 650 CG GLU A 77 5.712 0.357 5.383 1.00 0.00 C ATOM 651 CD GLU A 77 6.884 -0.148 4.564 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.910 -0.524 5.167 1.00 0.00 O ATOM 653 OE2 GLU A 77 6.775 -0.165 3.320 1.00 0.00 O ATOM 0 H GLU A 77 5.526 0.895 9.171 1.00 0.00 H new ATOM 0 HA GLU A 77 5.746 2.864 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.156 1.132 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.081 -0.069 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.960 -0.428 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.247 1.196 4.866 1.00 0.00 H new ATOM 660 N ARG A 78 2.960 1.136 7.087 1.00 0.00 N ATOM 661 CA ARG A 78 1.638 1.076 6.476 1.00 0.00 C ATOM 662 C ARG A 78 0.948 2.435 6.537 1.00 0.00 C ATOM 663 O ARG A 78 0.348 2.883 5.560 1.00 0.00 O ATOM 664 CB ARG A 78 0.776 0.023 7.176 1.00 0.00 C ATOM 665 CG ARG A 78 1.061 -1.399 6.720 1.00 0.00 C ATOM 666 CD ARG A 78 -0.170 -2.282 6.847 1.00 0.00 C ATOM 667 NE ARG A 78 -0.231 -2.953 8.143 1.00 0.00 N ATOM 668 CZ ARG A 78 -0.755 -2.402 9.232 1.00 0.00 C ATOM 669 NH1 ARG A 78 -1.262 -1.178 9.181 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.774 -3.076 10.375 1.00 0.00 N ATOM 0 H ARG A 78 3.085 0.512 7.884 1.00 0.00 H new ATOM 0 HA ARG A 78 1.762 0.797 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.938 0.090 8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.275 0.249 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.398 -1.389 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.873 -1.817 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.066 -1.677 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.164 -3.028 6.052 1.00 0.00 H new ATOM 0 HE ARG A 78 0.150 -3.896 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.250 -0.657 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.664 -0.757 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.386 -4.018 10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.177 -2.652 11.211 1.00 0.00 H new ATOM 684 N SER A 79 1.037 3.087 7.692 1.00 0.00 N ATOM 685 CA SER A 79 0.418 4.393 7.883 1.00 0.00 C ATOM 686 C SER A 79 1.045 5.432 6.957 1.00 0.00 C ATOM 687 O SER A 79 0.354 6.064 6.157 1.00 0.00 O ATOM 688 CB SER A 79 0.559 4.841 9.339 1.00 0.00 C ATOM 689 OG SER A 79 -0.421 5.808 9.673 1.00 0.00 O ATOM 0 H SER A 79 1.532 2.732 8.510 1.00 0.00 H new ATOM 0 HA SER A 79 -0.641 4.304 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.463 3.979 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.554 5.256 9.500 1.00 0.00 H new ATOM 0 HG SER A 79 -0.310 6.076 10.609 1.00 0.00 H new ATOM 695 N ILE A 80 2.358 5.601 7.071 1.00 0.00 N ATOM 696 CA ILE A 80 3.078 6.561 6.245 1.00 0.00 C ATOM 697 C ILE A 80 2.788 6.339 4.764 1.00 0.00 C ATOM 698 O ILE A 80 2.274 7.226 4.081 1.00 0.00 O ATOM 699 CB ILE A 80 4.599 6.475 6.477 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.928 6.747 7.946 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.329 7.457 5.573 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.284 6.224 8.368 1.00 0.00 C ATOM 0 H ILE A 80 2.944 5.085 7.727 1.00 0.00 H new ATOM 0 HA ILE A 80 2.729 7.552 6.537 1.00 0.00 H new ATOM 0 HB ILE A 80 4.934 5.468 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.890 7.821 8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.161 6.292 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.402 7.384 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.115 7.220 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.993 8.471 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.450 6.452 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.320 5.145 8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.060 6.698 7.767 1.00 0.00 H new ATOM 714 N LEU A 81 3.119 5.149 4.274 1.00 0.00 N ATOM 715 CA LEU A 81 2.892 4.808 2.874 1.00 0.00 C ATOM 716 C LEU A 81 1.444 5.077 2.476 1.00 0.00 C ATOM 717 O LEU A 81 1.174 5.600 1.394 1.00 0.00 O ATOM 718 CB LEU A 81 3.237 3.339 2.624 1.00 0.00 C ATOM 719 CG LEU A 81 2.719 2.742 1.315 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.372 3.423 0.122 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.970 1.241 1.278 1.00 0.00 C ATOM 0 H LEU A 81 3.545 4.404 4.825 1.00 0.00 H new ATOM 0 HA LEU A 81 3.540 5.436 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.322 3.233 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.843 2.748 3.451 1.00 0.00 H new ATOM 0 HG LEU A 81 1.644 2.912 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.991 2.985 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.142 4.488 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.452 3.285 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.595 0.832 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.040 1.049 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.455 0.765 2.112 1.00 0.00 H new ATOM 733 N HIS A 82 0.517 4.718 3.358 1.00 0.00 N ATOM 734 CA HIS A 82 -0.904 4.924 3.100 1.00 0.00 C ATOM 735 C HIS A 82 -1.180 6.369 2.698 1.00 0.00 C ATOM 736 O HIS A 82 -1.694 6.634 1.611 1.00 0.00 O ATOM 737 CB HIS A 82 -1.727 4.560 4.336 1.00 0.00 C ATOM 738 CG HIS A 82 -2.168 3.129 4.362 1.00 0.00 C ATOM 739 ND1 HIS A 82 -2.772 2.508 3.289 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.089 2.195 5.339 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.047 1.255 3.605 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.643 1.040 4.844 1.00 0.00 N ATOM 0 H HIS A 82 0.724 4.283 4.257 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.195 4.274 2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.137 4.766 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.606 5.203 4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.669 2.333 6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.521 0.530 2.960 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.729 0.159 5.351 1.00 0.00 H new ATOM 750 N ASP A 83 -0.836 7.300 3.582 1.00 0.00 N ATOM 751 CA ASP A 83 -1.047 8.719 3.319 1.00 0.00 C ATOM 752 C ASP A 83 -0.484 9.108 1.956 1.00 0.00 C ATOM 753 O ASP A 83 -1.132 9.816 1.185 1.00 0.00 O ATOM 754 CB ASP A 83 -0.395 9.564 4.415 1.00 0.00 C ATOM 755 CG ASP A 83 -0.927 10.983 4.445 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.962 11.215 5.104 1.00 0.00 O ATOM 757 OD2 ASP A 83 -0.308 11.862 3.809 1.00 0.00 O ATOM 0 H ASP A 83 -0.410 7.097 4.486 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.120 8.908 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.567 9.094 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.684 9.587 4.259 1.00 0.00 H new ATOM 762 N VAL A 84 0.726 8.642 1.666 1.00 0.00 N ATOM 763 CA VAL A 84 1.376 8.942 0.396 1.00 0.00 C ATOM 764 C VAL A 84 0.527 8.472 -0.781 1.00 0.00 C ATOM 765 O VAL A 84 0.462 9.135 -1.816 1.00 0.00 O ATOM 766 CB VAL A 84 2.766 8.282 0.307 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.398 8.550 -1.050 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.663 8.779 1.430 1.00 0.00 C ATOM 0 H VAL A 84 1.276 8.055 2.293 1.00 0.00 H new ATOM 0 HA VAL A 84 1.492 10.025 0.348 1.00 0.00 H new ATOM 0 HB VAL A 84 2.646 7.204 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.379 8.076 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.762 8.141 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.507 9.625 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.641 8.303 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.778 9.860 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.214 8.531 2.392 1.00 0.00 H new ATOM 778 N VAL A 85 -0.123 7.325 -0.613 1.00 0.00 N ATOM 779 CA VAL A 85 -0.970 6.767 -1.661 1.00 0.00 C ATOM 780 C VAL A 85 -2.181 7.656 -1.920 1.00 0.00 C ATOM 781 O VAL A 85 -2.598 7.835 -3.064 1.00 0.00 O ATOM 782 CB VAL A 85 -1.456 5.352 -1.295 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.390 4.814 -2.368 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.271 4.419 -1.092 1.00 0.00 C ATOM 0 H VAL A 85 -0.080 6.764 0.238 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.362 6.713 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.011 5.408 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.723 3.813 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.254 5.471 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.863 4.771 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.632 3.423 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.312 4.367 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.356 4.798 -0.285 1.00 0.00 H new ATOM 794 N GLU A 86 -2.740 8.212 -0.850 1.00 0.00 N ATOM 795 CA GLU A 86 -3.904 9.084 -0.962 1.00 0.00 C ATOM 796 C GLU A 86 -3.545 10.382 -1.678 1.00 0.00 C ATOM 797 O GLU A 86 -4.231 10.801 -2.611 1.00 0.00 O ATOM 798 CB GLU A 86 -4.474 9.393 0.424 1.00 0.00 C ATOM 799 CG GLU A 86 -4.553 8.179 1.334 1.00 0.00 C ATOM 800 CD GLU A 86 -5.538 7.140 0.837 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.828 7.130 -0.378 1.00 0.00 O ATOM 802 OE2 GLU A 86 -6.019 6.336 1.663 1.00 0.00 O ATOM 0 H GLU A 86 -2.406 8.074 0.104 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.660 8.563 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.856 10.154 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.472 9.817 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.565 7.727 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.842 8.498 2.335 1.00 0.00 H new ATOM 809 N VAL A 87 -2.464 11.016 -1.234 1.00 0.00 N ATOM 810 CA VAL A 87 -2.012 12.267 -1.832 1.00 0.00 C ATOM 811 C VAL A 87 -1.753 12.101 -3.325 1.00 0.00 C ATOM 812 O VAL A 87 -2.073 12.982 -4.122 1.00 0.00 O ATOM 813 CB VAL A 87 -0.728 12.781 -1.154 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.304 14.114 -1.752 1.00 0.00 C ATOM 815 CG2 VAL A 87 -0.931 12.902 0.349 1.00 0.00 C ATOM 0 H VAL A 87 -1.885 10.684 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.810 12.995 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 87 0.070 12.060 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.605 14.461 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.115 13.991 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.098 14.847 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.014 13.266 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.742 13.601 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.182 11.925 0.762 1.00 0.00 H new ATOM 825 N ALA A 88 -1.172 10.965 -3.697 1.00 0.00 N ATOM 826 CA ALA A 88 -0.873 10.681 -5.095 1.00 0.00 C ATOM 827 C ALA A 88 -2.152 10.557 -5.916 1.00 0.00 C ATOM 828 O ALA A 88 -2.192 10.944 -7.083 1.00 0.00 O ATOM 829 CB ALA A 88 -0.043 9.411 -5.210 1.00 0.00 C ATOM 0 H ALA A 88 -0.899 10.226 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.296 11.515 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.173 9.211 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.892 9.537 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.599 8.574 -4.788 1.00 0.00 H new ATOM 835 N GLY A 89 -3.196 10.013 -5.297 1.00 0.00 N ATOM 836 CA GLY A 89 -4.462 9.846 -5.987 1.00 0.00 C ATOM 837 C GLY A 89 -4.720 8.407 -6.386 1.00 0.00 C ATOM 838 O GLY A 89 -5.271 8.140 -7.454 1.00 0.00 O ATOM 0 H GLY A 89 -3.188 9.685 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.271 10.192 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.472 10.474 -6.878 1.00 0.00 H new ATOM 842 N LEU A 90 -4.320 7.476 -5.527 1.00 0.00 N ATOM 843 CA LEU A 90 -4.509 6.054 -5.795 1.00 0.00 C ATOM 844 C LEU A 90 -5.233 5.373 -4.638 1.00 0.00 C ATOM 845 O LEU A 90 -5.264 5.889 -3.520 1.00 0.00 O ATOM 846 CB LEU A 90 -3.159 5.377 -6.037 1.00 0.00 C ATOM 847 CG LEU A 90 -2.387 5.841 -7.272 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.027 5.162 -7.338 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.186 5.562 -8.537 1.00 0.00 C ATOM 0 H LEU A 90 -3.863 7.680 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.123 5.957 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.532 5.538 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.323 4.303 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.230 6.917 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.492 5.505 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.452 5.413 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.162 4.082 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.621 5.899 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.375 4.492 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.136 6.095 -8.493 1.00 0.00 H new ATOM 861 N THR A 91 -5.814 4.209 -4.913 1.00 0.00 N ATOM 862 CA THR A 91 -6.536 3.457 -3.896 1.00 0.00 C ATOM 863 C THR A 91 -5.575 2.725 -2.967 1.00 0.00 C ATOM 864 O THR A 91 -4.518 2.258 -3.393 1.00 0.00 O ATOM 865 CB THR A 91 -7.497 2.434 -4.531 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.331 3.080 -5.499 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.364 1.774 -3.469 1.00 0.00 C ATOM 0 H THR A 91 -5.798 3.767 -5.832 1.00 0.00 H new ATOM 0 HA THR A 91 -7.114 4.179 -3.320 1.00 0.00 H new ATOM 0 HB THR A 91 -6.900 1.665 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.222 2.642 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.034 1.056 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.728 1.258 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.951 2.535 -2.955 1.00 0.00 H new ATOM 875 N SER A 92 -5.948 2.626 -1.695 1.00 0.00 N ATOM 876 CA SER A 92 -5.116 1.953 -0.704 1.00 0.00 C ATOM 877 C SER A 92 -5.897 0.849 0.001 1.00 0.00 C ATOM 878 O SER A 92 -7.124 0.902 0.092 1.00 0.00 O ATOM 879 CB SER A 92 -4.593 2.960 0.323 1.00 0.00 C ATOM 880 OG SER A 92 -4.488 4.255 -0.241 1.00 0.00 O ATOM 0 H SER A 92 -6.821 3.003 -1.326 1.00 0.00 H new ATOM 0 HA SER A 92 -4.270 1.501 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.262 2.988 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.617 2.639 0.688 1.00 0.00 H new ATOM 0 HG SER A 92 -4.008 4.843 0.378 1.00 0.00 H new ATOM 886 N PHE A 93 -5.178 -0.151 0.499 1.00 0.00 N ATOM 887 CA PHE A 93 -5.802 -1.270 1.196 1.00 0.00 C ATOM 888 C PHE A 93 -4.755 -2.120 1.908 1.00 0.00 C ATOM 889 O PHE A 93 -3.564 -2.039 1.606 1.00 0.00 O ATOM 890 CB PHE A 93 -6.593 -2.134 0.211 1.00 0.00 C ATOM 891 CG PHE A 93 -7.939 -1.567 -0.138 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.915 -1.415 0.834 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.229 -1.184 -1.438 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.155 -0.894 0.516 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.467 -0.661 -1.762 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.430 -0.516 -0.784 1.00 0.00 C ATOM 0 H PHE A 93 -4.162 -0.210 0.433 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.484 -0.865 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.011 -2.255 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.726 -3.128 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.704 -1.707 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.479 -1.295 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.908 -0.783 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.680 -0.366 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.398 -0.107 -1.035 1.00 0.00 H new ATOM 906 N SER A 94 -5.207 -2.934 2.857 1.00 0.00 N ATOM 907 CA SER A 94 -4.310 -3.796 3.616 1.00 0.00 C ATOM 908 C SER A 94 -4.893 -5.199 3.757 1.00 0.00 C ATOM 909 O SER A 94 -6.006 -5.374 4.254 1.00 0.00 O ATOM 910 CB SER A 94 -4.046 -3.200 5.001 1.00 0.00 C ATOM 911 OG SER A 94 -2.753 -3.546 5.467 1.00 0.00 O ATOM 0 H SER A 94 -6.190 -3.014 3.118 1.00 0.00 H new ATOM 0 HA SER A 94 -3.368 -3.866 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.142 -2.115 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.798 -3.559 5.704 1.00 0.00 H new ATOM 0 HG SER A 94 -2.289 -4.073 4.783 1.00 0.00 H new ATOM 917 N PHE A 95 -4.134 -6.196 3.314 1.00 0.00 N ATOM 918 CA PHE A 95 -4.574 -7.584 3.389 1.00 0.00 C ATOM 919 C PHE A 95 -3.469 -8.476 3.945 1.00 0.00 C ATOM 920 O PHE A 95 -2.337 -8.455 3.463 1.00 0.00 O ATOM 921 CB PHE A 95 -4.999 -8.081 2.006 1.00 0.00 C ATOM 922 CG PHE A 95 -5.886 -7.118 1.269 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.261 -7.151 1.442 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.346 -6.181 0.404 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.079 -6.267 0.765 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.159 -5.294 -0.276 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.527 -5.336 -0.094 1.00 0.00 C ATOM 0 H PHE A 95 -3.211 -6.068 2.899 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.429 -7.632 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.108 -8.272 1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.520 -9.032 2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.698 -7.876 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.276 -6.143 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.149 -6.304 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.725 -4.569 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.165 -4.642 -0.622 1.00 0.00 H new ATOM 937 N GLY A 96 -3.806 -9.260 4.965 1.00 0.00 N ATOM 938 CA GLY A 96 -2.832 -10.149 5.571 1.00 0.00 C ATOM 939 C GLY A 96 -3.409 -11.515 5.885 1.00 0.00 C ATOM 940 O GLY A 96 -4.614 -11.652 6.094 1.00 0.00 O ATOM 0 H GLY A 96 -4.736 -9.295 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.982 -10.263 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.455 -9.698 6.489 1.00 0.00 H new ATOM 944 N GLU A 97 -2.548 -12.527 5.918 1.00 0.00 N ATOM 945 CA GLU A 97 -2.981 -13.889 6.207 1.00 0.00 C ATOM 946 C GLU A 97 -3.014 -14.142 7.711 1.00 0.00 C ATOM 947 O GLU A 97 -3.789 -14.967 8.196 1.00 0.00 O ATOM 948 CB GLU A 97 -2.052 -14.898 5.529 1.00 0.00 C ATOM 949 CG GLU A 97 -0.605 -14.792 5.982 1.00 0.00 C ATOM 950 CD GLU A 97 0.234 -15.973 5.534 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.219 -16.288 4.326 1.00 0.00 O ATOM 952 OE2 GLU A 97 0.907 -16.581 6.393 1.00 0.00 O ATOM 0 H GLU A 97 -1.547 -12.430 5.748 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.990 -14.013 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.414 -15.906 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.098 -14.753 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.171 -13.873 5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.573 -14.720 7.069 1.00 0.00 H new ATOM 959 N ASP A 98 -2.168 -13.427 8.444 1.00 0.00 N ATOM 960 CA ASP A 98 -2.100 -13.573 9.894 1.00 0.00 C ATOM 961 C ASP A 98 -2.317 -12.230 10.586 1.00 0.00 C ATOM 962 O ASP A 98 -1.676 -11.235 10.247 1.00 0.00 O ATOM 963 CB ASP A 98 -0.749 -14.160 10.306 1.00 0.00 C ATOM 964 CG ASP A 98 -0.839 -14.985 11.574 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.053 -14.393 12.653 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.696 -16.222 11.488 1.00 0.00 O ATOM 0 H ASP A 98 -1.520 -12.740 8.058 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.893 -14.254 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.365 -14.782 9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.034 -13.351 10.453 1.00 0.00 H new ATOM 971 N ASP A 99 -3.225 -12.211 11.555 1.00 0.00 N ATOM 972 CA ASP A 99 -3.527 -10.991 12.295 1.00 0.00 C ATOM 973 C ASP A 99 -2.247 -10.246 12.661 1.00 0.00 C ATOM 974 O ASP A 99 -2.221 -9.016 12.696 1.00 0.00 O ATOM 975 CB ASP A 99 -4.321 -11.320 13.560 1.00 0.00 C ATOM 976 CG ASP A 99 -3.539 -12.191 14.524 1.00 0.00 C ATOM 977 OD1 ASP A 99 -3.503 -13.422 14.316 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.963 -11.641 15.486 1.00 0.00 O ATOM 0 H ASP A 99 -3.765 -13.026 11.847 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.130 -10.347 11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.604 -10.393 14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.245 -11.828 13.284 1.00 0.00 H new ATOM 983 N ASP A 100 -1.188 -11.000 12.936 1.00 0.00 N ATOM 984 CA ASP A 100 0.095 -10.412 13.300 1.00 0.00 C ATOM 985 C ASP A 100 0.798 -9.839 12.073 1.00 0.00 C ATOM 986 O ASP A 100 1.371 -8.750 12.127 1.00 0.00 O ATOM 987 CB ASP A 100 0.987 -11.458 13.972 1.00 0.00 C ATOM 988 CG ASP A 100 1.682 -12.357 12.968 1.00 0.00 C ATOM 989 OD1 ASP A 100 2.751 -11.961 12.458 1.00 0.00 O ATOM 990 OD2 ASP A 100 1.156 -13.455 12.691 1.00 0.00 O ATOM 0 H ASP A 100 -1.193 -12.020 12.914 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.092 -9.599 14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.736 -10.954 14.583 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.384 -12.068 14.645 1.00 0.00 H new ATOM 995 N CYS A 101 0.750 -10.578 10.971 1.00 0.00 N ATOM 996 CA CYS A 101 1.384 -10.144 9.731 1.00 0.00 C ATOM 997 C CYS A 101 0.346 -9.620 8.745 1.00 0.00 C ATOM 998 O CYS A 101 -0.535 -10.358 8.304 1.00 0.00 O ATOM 999 CB CYS A 101 2.166 -11.298 9.102 1.00 0.00 C ATOM 1000 SG CYS A 101 2.896 -10.906 7.495 1.00 0.00 S ATOM 0 H CYS A 101 0.279 -11.481 10.910 1.00 0.00 H new ATOM 0 HA CYS A 101 2.074 -9.335 9.969 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.960 -11.600 9.785 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.501 -12.154 8.988 1.00 0.00 H new ATOM 0 HG CYS A 101 3.538 -11.943 7.045 1.00 0.00 H new ATOM 1006 N ARG A 102 0.455 -8.340 8.403 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.476 -7.716 7.471 1.00 0.00 C ATOM 1008 C ARG A 102 0.254 -6.759 6.532 1.00 0.00 C ATOM 1009 O ARG A 102 0.841 -5.770 6.971 1.00 0.00 O ATOM 1010 CB ARG A 102 -1.568 -6.964 8.234 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.899 -6.916 7.502 1.00 0.00 C ATOM 1012 CD ARG A 102 -4.056 -6.697 8.465 1.00 0.00 C ATOM 1013 NE ARG A 102 -5.346 -6.993 7.846 1.00 0.00 N ATOM 1014 CZ ARG A 102 -5.808 -8.225 7.664 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -5.090 -9.270 8.051 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -6.991 -8.413 7.094 1.00 0.00 N ATOM 0 H ARG A 102 1.179 -7.715 8.758 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.936 -8.504 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.714 -7.438 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.231 -5.945 8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.881 -6.114 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.049 -7.848 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.922 -7.329 9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.049 -5.664 8.812 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.923 -6.211 7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.180 -9.129 8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.447 -10.215 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.546 -7.611 6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.345 -9.359 6.954 1.00 0.00 H new ATOM 1030 N TYR A 103 0.212 -7.061 5.239 1.00 0.00 N ATOM 1031 CA TYR A 103 0.872 -6.231 4.239 1.00 0.00 C ATOM 1032 C TYR A 103 -0.071 -5.147 3.723 1.00 0.00 C ATOM 1033 O TYR A 103 -1.282 -5.211 3.931 1.00 0.00 O ATOM 1034 CB TYR A 103 1.363 -7.092 3.074 1.00 0.00 C ATOM 1035 CG TYR A 103 0.248 -7.774 2.313 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.684 -7.035 1.595 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.128 -9.158 2.312 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.704 -7.654 0.899 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.889 -9.786 1.618 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.802 -9.030 0.914 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.816 -9.650 0.221 1.00 0.00 O ATOM 0 H TYR A 103 -0.272 -7.874 4.859 1.00 0.00 H new ATOM 0 HA TYR A 103 1.728 -5.749 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.932 -6.467 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.047 -7.850 3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.610 -5.958 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.841 -9.753 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.420 -7.064 0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.968 -10.863 1.627 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.984 -9.167 -0.615 1.00 0.00 H new ATOM 1051 N VAL A 104 0.496 -4.152 3.048 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.292 -3.054 2.501 1.00 0.00 C ATOM 1053 C VAL A 104 -0.322 -3.105 0.977 1.00 0.00 C ATOM 1054 O VAL A 104 0.722 -3.088 0.325 1.00 0.00 O ATOM 1055 CB VAL A 104 0.262 -1.688 2.947 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.687 -1.501 2.448 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.636 -0.563 2.455 1.00 0.00 C ATOM 0 H VAL A 104 1.497 -4.084 2.867 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.305 -3.170 2.886 1.00 0.00 H new ATOM 0 HB VAL A 104 0.278 -1.660 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.062 -0.530 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.321 -2.289 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.701 -1.549 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.230 0.395 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.685 -0.587 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.637 -0.690 2.866 1.00 0.00 H new ATOM 1067 N MET A 105 -1.525 -3.168 0.416 1.00 0.00 N ATOM 1068 CA MET A 105 -1.690 -3.220 -1.032 1.00 0.00 C ATOM 1069 C MET A 105 -2.418 -1.980 -1.541 1.00 0.00 C ATOM 1070 O MET A 105 -3.288 -1.437 -0.860 1.00 0.00 O ATOM 1071 CB MET A 105 -2.461 -4.479 -1.434 1.00 0.00 C ATOM 1072 CG MET A 105 -1.571 -5.693 -1.652 1.00 0.00 C ATOM 1073 SD MET A 105 -2.478 -7.110 -2.300 1.00 0.00 S ATOM 1074 CE MET A 105 -2.545 -6.702 -4.042 1.00 0.00 C ATOM 0 H MET A 105 -2.399 -3.184 0.941 1.00 0.00 H new ATOM 0 HA MET A 105 -0.699 -3.249 -1.485 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.193 -4.710 -0.660 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.018 -4.278 -2.349 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.770 -5.432 -2.343 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.100 -5.968 -0.708 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.492 -7.044 -4.460 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.462 -5.622 -4.166 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.721 -7.191 -4.562 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.056 -1.538 -2.741 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.676 -0.363 -3.340 1.00 0.00 C ATOM 1086 C ILE A 106 -3.263 -0.688 -4.709 1.00 0.00 C ATOM 1087 O ILE A 106 -2.725 -1.515 -5.446 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.668 0.792 -3.488 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.551 0.402 -4.458 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.090 1.168 -2.131 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.137 1.589 -5.097 1.00 0.00 C ATOM 0 H ILE A 106 -1.337 -1.976 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.476 -0.053 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.189 1.660 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.190 -0.194 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.966 -0.232 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.379 1.986 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.895 1.482 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.581 0.306 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.917 1.237 -5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.592 2.173 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.582 2.212 -4.322 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.368 -0.032 -5.044 1.00 0.00 N ATOM 1104 CA PHE A 107 -5.028 -0.250 -6.326 1.00 0.00 C ATOM 1105 C PHE A 107 -5.268 1.073 -7.047 1.00 0.00 C ATOM 1106 O PHE A 107 -5.153 2.146 -6.455 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.357 -0.981 -6.121 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.195 -2.412 -5.695 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.691 -2.722 -4.442 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.547 -3.447 -6.546 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.541 -4.038 -4.047 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.399 -4.765 -6.157 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.896 -5.060 -4.905 1.00 0.00 C ATOM 0 H PHE A 107 -4.826 0.655 -4.446 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.374 -0.866 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.942 -0.451 -5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.927 -0.949 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.412 -1.927 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.942 -3.221 -7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.146 -4.267 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.676 -5.562 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.780 -6.089 -4.597 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.603 0.988 -8.330 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.860 2.177 -9.134 1.00 0.00 C ATOM 1125 C LYS A 108 -7.328 2.584 -9.050 1.00 0.00 C ATOM 1126 O LYS A 108 -8.145 1.880 -8.456 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.473 1.925 -10.594 1.00 0.00 C ATOM 1128 CG LYS A 108 -4.004 2.178 -10.886 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.763 2.410 -12.368 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.527 3.264 -12.605 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.062 3.188 -14.017 1.00 0.00 N ATOM 0 H LYS A 108 -5.703 0.108 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.252 2.990 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.714 0.894 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.078 2.564 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.664 3.046 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.413 1.326 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.646 1.451 -12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.633 2.898 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.748 4.301 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.727 2.937 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.074 2.864 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.658 2.518 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.128 4.129 -14.455 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.656 3.724 -9.648 1.00 0.00 N ATOM 1146 CA LYS A 109 -9.026 4.224 -9.643 1.00 0.00 C ATOM 1147 C LYS A 109 -9.932 3.337 -10.490 1.00 0.00 C ATOM 1148 O LYS A 109 -11.025 2.964 -10.064 1.00 0.00 O ATOM 1149 CB LYS A 109 -9.068 5.662 -10.166 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.476 6.202 -10.350 1.00 0.00 C ATOM 1151 CD LYS A 109 -11.065 6.679 -9.033 1.00 0.00 C ATOM 1152 CE LYS A 109 -12.162 7.709 -9.255 1.00 0.00 C ATOM 1153 NZ LYS A 109 -12.725 8.205 -7.968 1.00 0.00 N ATOM 0 H LYS A 109 -6.992 4.319 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.389 4.207 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.528 6.307 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.543 5.708 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.461 7.026 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.112 5.425 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.469 5.828 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.277 7.112 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.762 8.548 -9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.959 7.268 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.469 8.905 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.129 7.408 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.970 8.649 -7.407 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.470 3.002 -11.691 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.240 2.157 -12.597 1.00 0.00 C ATOM 1169 C GLU A 110 -10.103 0.686 -12.217 1.00 0.00 C ATOM 1170 O GLU A 110 -11.072 -0.072 -12.264 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.780 2.368 -14.041 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.465 1.448 -15.038 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.774 2.015 -15.551 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.584 2.483 -14.723 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -11.989 1.991 -16.781 1.00 0.00 O ATOM 0 H GLU A 110 -8.567 3.302 -12.059 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.289 2.439 -12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.968 3.403 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.703 2.213 -14.097 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.796 1.269 -15.880 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.651 0.483 -14.567 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.892 0.288 -11.842 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.626 -1.093 -11.456 1.00 0.00 C ATOM 1184 C PHE A 111 -8.901 -1.305 -9.970 1.00 0.00 C ATOM 1185 O PHE A 111 -8.440 -2.278 -9.375 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.176 -1.464 -11.775 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.788 -1.193 -13.201 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.408 -1.867 -14.241 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.805 -0.264 -13.501 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.052 -1.620 -15.554 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.445 -0.013 -14.811 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.071 -0.691 -15.839 1.00 0.00 C ATOM 0 H PHE A 111 -8.079 0.902 -11.797 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.293 -1.738 -12.027 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.513 -0.906 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.024 -2.522 -11.560 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.177 -2.593 -14.024 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.314 0.270 -12.701 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.541 -2.153 -16.356 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.675 0.712 -15.031 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.794 -0.495 -16.864 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.656 -0.385 -9.377 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.994 -0.471 -7.962 1.00 0.00 C ATOM 1204 C ALA A 112 -10.968 -1.615 -7.699 1.00 0.00 C ATOM 1205 O ALA A 112 -11.840 -1.919 -8.512 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.582 0.846 -7.479 1.00 0.00 C ATOM 0 H ALA A 112 -10.045 0.428 -9.855 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.078 -0.673 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.830 0.767 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.854 1.644 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.484 1.072 -8.047 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.816 -2.266 -6.536 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.673 -3.387 -6.139 1.00 0.00 C ATOM 1214 C PRO A 113 -13.097 -2.944 -5.818 1.00 0.00 C ATOM 1215 O PRO A 113 -13.344 -1.769 -5.546 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.987 -3.932 -4.884 1.00 0.00 C ATOM 1217 CG PRO A 113 -10.233 -2.772 -4.332 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.797 -1.958 -5.519 1.00 0.00 C ATOM 0 HA PRO A 113 -11.777 -4.122 -6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.716 -4.309 -4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.320 -4.760 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.860 -2.182 -3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.373 -3.106 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.769 -0.893 -5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.798 -2.238 -5.853 1.00 0.00 H new ATOM 1226 N SER A 114 -14.029 -3.891 -5.852 1.00 0.00 N ATOM 1227 CA SER A 114 -15.428 -3.596 -5.568 1.00 0.00 C ATOM 1228 C SER A 114 -15.758 -3.884 -4.106 1.00 0.00 C ATOM 1229 O SER A 114 -15.006 -4.569 -3.412 1.00 0.00 O ATOM 1230 CB SER A 114 -16.340 -4.419 -6.480 1.00 0.00 C ATOM 1231 OG SER A 114 -16.575 -3.748 -7.706 1.00 0.00 O ATOM 0 H SER A 114 -13.840 -4.869 -6.073 1.00 0.00 H new ATOM 0 HA SER A 114 -15.596 -2.536 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.884 -5.390 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.289 -4.607 -5.977 1.00 0.00 H new ATOM 0 HG SER A 114 -17.159 -4.295 -8.272 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.887 -3.356 -3.646 1.00 0.00 N ATOM 1238 CA ASP A 115 -17.318 -3.556 -2.268 1.00 0.00 C ATOM 1239 C ASP A 115 -17.333 -5.040 -1.913 1.00 0.00 C ATOM 1240 O ASP A 115 -16.553 -5.495 -1.077 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.708 -2.954 -2.053 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.748 -1.469 -2.358 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -18.254 -1.071 -3.433 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.274 -0.706 -1.520 1.00 0.00 O ATOM 0 H ASP A 115 -17.520 -2.786 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.607 -3.051 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.427 -3.472 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -19.017 -3.119 -1.021 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.226 -5.787 -2.553 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.343 -7.219 -2.303 1.00 0.00 C ATOM 1251 C GLU A 116 -16.994 -7.912 -2.468 1.00 0.00 C ATOM 1252 O GLU A 116 -16.610 -8.748 -1.650 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.369 -7.843 -3.252 1.00 0.00 C ATOM 1254 CG GLU A 116 -19.435 -9.359 -3.165 1.00 0.00 C ATOM 1255 CD GLU A 116 -19.801 -9.848 -1.777 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.952 -9.617 -1.350 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -18.936 -10.461 -1.117 1.00 0.00 O ATOM 0 H GLU A 116 -18.879 -5.425 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.679 -7.356 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.354 -7.431 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.127 -7.556 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.168 -9.729 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -18.470 -9.778 -3.451 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.280 -7.559 -3.532 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.974 -8.148 -3.804 1.00 0.00 C ATOM 1266 C GLU A 117 -13.999 -7.862 -2.665 1.00 0.00 C ATOM 1267 O GLU A 117 -13.167 -8.701 -2.320 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.410 -7.607 -5.120 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.338 -7.806 -6.307 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.309 -9.227 -6.838 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -14.304 -9.928 -6.598 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.291 -9.636 -7.491 1.00 0.00 O ATOM 0 H GLU A 117 -16.583 -6.869 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.102 -9.227 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.202 -6.543 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.459 -8.097 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.357 -7.552 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.055 -7.118 -7.104 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.109 -6.671 -2.086 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.238 -6.273 -0.986 1.00 0.00 C ATOM 1281 C LEU A 118 -13.439 -7.180 0.224 1.00 0.00 C ATOM 1282 O LEU A 118 -12.474 -7.655 0.823 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.507 -4.818 -0.597 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.858 -3.755 -1.485 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.410 -2.377 -1.157 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -11.345 -3.778 -1.324 1.00 0.00 C ATOM 0 H LEU A 118 -14.792 -5.965 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.205 -6.368 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.585 -4.656 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.164 -4.667 0.426 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.096 -3.981 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.937 -1.633 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.487 -2.367 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.202 -2.141 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.899 -3.015 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.087 -3.577 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.964 -4.758 -1.609 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.697 -7.417 0.576 1.00 0.00 N ATOM 1299 CA ASP A 119 -15.026 -8.270 1.713 1.00 0.00 C ATOM 1300 C ASP A 119 -14.461 -9.673 1.519 1.00 0.00 C ATOM 1301 O ASP A 119 -13.911 -10.265 2.448 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.541 -8.338 1.905 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.928 -8.787 3.301 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.266 -9.701 3.834 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.893 -8.224 3.859 1.00 0.00 O ATOM 0 H ASP A 119 -15.507 -7.031 0.091 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.575 -7.836 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.974 -7.357 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.966 -9.026 1.174 1.00 0.00 H new ATOM 1310 N SER A 120 -14.602 -10.201 0.308 1.00 0.00 N ATOM 1311 CA SER A 120 -14.110 -11.537 -0.006 1.00 0.00 C ATOM 1312 C SER A 120 -12.586 -11.556 -0.063 1.00 0.00 C ATOM 1313 O SER A 120 -11.946 -12.485 0.431 1.00 0.00 O ATOM 1314 CB SER A 120 -14.687 -12.016 -1.340 1.00 0.00 C ATOM 1315 OG SER A 120 -16.091 -12.188 -1.256 1.00 0.00 O ATOM 0 H SER A 120 -15.053 -9.724 -0.472 1.00 0.00 H new ATOM 0 HA SER A 120 -14.435 -12.212 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.452 -11.294 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.218 -12.958 -1.625 1.00 0.00 H new ATOM 0 HG SER A 120 -16.436 -12.493 -2.121 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.010 -10.523 -0.668 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.561 -10.421 -0.792 1.00 0.00 C ATOM 1323 C TYR A 121 -9.883 -10.612 0.561 1.00 0.00 C ATOM 1324 O TYR A 121 -8.927 -11.377 0.686 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.173 -9.063 -1.382 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.253 -9.014 -2.891 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.566 -9.934 -3.673 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.014 -8.046 -3.534 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.636 -9.892 -5.052 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.090 -7.997 -4.913 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.400 -8.922 -5.667 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.472 -8.876 -7.041 1.00 0.00 O ATOM 0 H TYR A 121 -12.524 -9.745 -1.080 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.223 -11.211 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.826 -8.296 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.157 -8.818 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.967 -10.695 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.555 -7.319 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.096 -10.615 -5.645 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.687 -7.238 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.052 -8.135 -7.314 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.387 -9.912 1.572 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.831 -10.003 2.917 1.00 0.00 C ATOM 1344 C ARG A 122 -10.127 -11.366 3.536 1.00 0.00 C ATOM 1345 O ARG A 122 -9.258 -11.979 4.156 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.400 -8.894 3.803 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.811 -7.523 3.516 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.509 -6.437 4.321 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.209 -6.535 5.747 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.898 -7.294 6.592 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -11.920 -8.018 6.157 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -10.564 -7.331 7.876 1.00 0.00 N ATOM 0 H ARG A 122 -11.179 -9.276 1.485 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.750 -9.882 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.481 -8.851 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.219 -9.146 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.747 -7.526 3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.900 -7.303 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.202 -5.458 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.586 -6.510 4.171 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.428 -5.991 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -12.179 -7.993 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.447 -8.600 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.778 -6.776 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -11.094 -7.914 8.524 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.359 -11.834 3.363 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.770 -13.123 3.906 1.00 0.00 C ATOM 1368 C ARG A 123 -10.901 -14.248 3.351 1.00 0.00 C ATOM 1369 O ARG A 123 -10.702 -15.272 4.004 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.240 -13.392 3.581 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.207 -12.524 4.371 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.605 -13.185 5.681 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.908 -12.204 6.719 1.00 0.00 N ATOM 1374 CZ ARG A 123 -15.599 -12.486 7.819 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -16.055 -13.714 8.022 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -15.834 -11.539 8.718 1.00 0.00 N ATOM 0 H ARG A 123 -12.090 -11.340 2.851 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.645 -13.090 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.404 -13.227 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.461 -14.441 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.747 -11.557 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.098 -12.333 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.476 -13.820 5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.797 -13.834 6.020 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.571 -11.250 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.876 -14.445 7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.585 -13.928 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.484 -10.593 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.364 -11.757 9.562 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.388 -14.051 2.141 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.548 -15.058 1.518 1.00 0.00 C ATOM 1392 C GLY A 124 -10.354 -16.124 0.803 1.00 0.00 C ATOM 1393 O GLY A 124 -10.446 -16.123 -0.424 1.00 0.00 O ATOM 0 H GLY A 124 -10.539 -13.212 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.876 -14.577 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.924 -15.528 2.279 1.00 0.00 H new ATOM 1397 N SER A 125 -10.937 -17.038 1.572 1.00 0.00 N ATOM 1398 CA SER A 125 -11.735 -18.118 1.004 1.00 0.00 C ATOM 1399 C SER A 125 -13.094 -18.209 1.691 1.00 0.00 C ATOM 1400 O SER A 125 -13.323 -17.582 2.724 1.00 0.00 O ATOM 1401 CB SER A 125 -10.994 -19.450 1.135 1.00 0.00 C ATOM 1402 OG SER A 125 -9.907 -19.521 0.229 1.00 0.00 O ATOM 0 H SER A 125 -10.872 -17.052 2.590 1.00 0.00 H new ATOM 0 HA SER A 125 -11.896 -17.902 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 125 -10.629 -19.568 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 125 -11.683 -20.273 0.946 1.00 0.00 H new ATOM 0 HG SER A 125 -9.449 -20.381 0.334 1.00 0.00 H new ATOM 1408 N GLY A 126 -13.993 -18.996 1.108 1.00 0.00 N ATOM 1409 CA GLY A 126 -15.319 -19.155 1.676 1.00 0.00 C ATOM 1410 C GLY A 126 -16.370 -18.356 0.931 1.00 0.00 C ATOM 1411 O GLY A 126 -16.900 -17.366 1.434 1.00 0.00 O ATOM 0 H GLY A 126 -13.827 -19.526 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.592 -20.210 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.303 -18.843 2.720 1.00 0.00 H new ATOM 1415 N PRO A 127 -16.683 -18.787 -0.300 1.00 0.00 N ATOM 1416 CA PRO A 127 -17.678 -18.118 -1.144 1.00 0.00 C ATOM 1417 C PRO A 127 -19.098 -18.293 -0.615 1.00 0.00 C ATOM 1418 O PRO A 127 -19.324 -19.015 0.357 1.00 0.00 O ATOM 1419 CB PRO A 127 -17.522 -18.815 -2.497 1.00 0.00 C ATOM 1420 CG PRO A 127 -16.966 -20.158 -2.170 1.00 0.00 C ATOM 1421 CD PRO A 127 -16.090 -19.960 -0.964 1.00 0.00 C ATOM 0 HA PRO A 127 -17.520 -17.040 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -18.479 -18.898 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -16.853 -18.259 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -17.764 -20.870 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -16.394 -20.558 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -16.097 -20.835 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -15.053 -19.780 -1.246 1.00 0.00 H new ATOM 1429 N SER A 128 -20.051 -17.630 -1.260 1.00 0.00 N ATOM 1430 CA SER A 128 -21.449 -17.710 -0.852 1.00 0.00 C ATOM 1431 C SER A 128 -22.197 -18.753 -1.677 1.00 0.00 C ATOM 1432 O SER A 128 -21.892 -18.968 -2.851 1.00 0.00 O ATOM 1433 CB SER A 128 -22.125 -16.345 -1.001 1.00 0.00 C ATOM 1434 OG SER A 128 -23.313 -16.278 -0.232 1.00 0.00 O ATOM 0 H SER A 128 -19.881 -17.031 -2.068 1.00 0.00 H new ATOM 0 HA SER A 128 -21.479 -18.010 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 128 -21.439 -15.559 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 128 -22.357 -16.163 -2.050 1.00 0.00 H new ATOM 0 HG SER A 128 -23.725 -15.396 -0.343 1.00 0.00 H new ATOM 1440 N SER A 129 -23.177 -19.399 -1.055 1.00 0.00 N ATOM 1441 CA SER A 129 -23.967 -20.423 -1.729 1.00 0.00 C ATOM 1442 C SER A 129 -25.456 -20.099 -1.651 1.00 0.00 C ATOM 1443 O SER A 129 -25.893 -19.339 -0.788 1.00 0.00 O ATOM 1444 CB SER A 129 -23.699 -21.795 -1.107 1.00 0.00 C ATOM 1445 OG SER A 129 -22.370 -22.218 -1.360 1.00 0.00 O ATOM 0 H SER A 129 -23.444 -19.232 -0.085 1.00 0.00 H new ATOM 0 HA SER A 129 -23.672 -20.443 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 129 -23.871 -21.750 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 129 -24.400 -22.525 -1.512 1.00 0.00 H new ATOM 0 HG SER A 129 -22.223 -23.096 -0.951 1.00 0.00 H new ATOM 1451 N GLY A 130 -26.230 -20.682 -2.561 1.00 0.00 N ATOM 1452 CA GLY A 130 -27.662 -20.444 -2.580 1.00 0.00 C ATOM 1453 C GLY A 130 -28.409 -21.330 -1.603 1.00 0.00 C ATOM 1454 O GLY A 130 -29.146 -20.839 -0.748 1.00 0.00 O ATOM 0 H GLY A 130 -25.891 -21.315 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -27.857 -19.399 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -28.043 -20.616 -3.587 1.00 0.00 H new TER 1458 GLY A 130